diff --git a/.github/workflows/cmake.yml b/.github/workflows/cmake.yml
index d12db4b7..1e6f48c6 100644
--- a/.github/workflows/cmake.yml
+++ b/.github/workflows/cmake.yml
@@ -44,6 +44,8 @@ jobs:
         os: [macos-latest, ubuntu-latest, windows-latest]
 
     runs-on: ${{ matrix.os }}
+    env:
+      BUILD_DIR: _ctest  # set in ctest.cmake
 
     steps:
     - uses: actions/checkout@v4
@@ -68,9 +70,97 @@ jobs:
     - name: Upload results
       uses: actions/upload-artifact@v4
       with:
-        name: ${{ matrix.os }}-test-results
-        path: ${{ github.workspace }}/_ctest/Testing/
+        name: ${{ matrix.os }}-${{ github.job }}-results
+        path: ${{ github.workspace }}/${{ env.BUILD_DIR }}/Testing/
 
+  test-shared:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [macos-latest, ubuntu-latest, windows-latest]
+
+    runs-on: ${{ matrix.os }}
+    env:
+      BUILD_DIR: _ctest_shared  # set in ctest-shared.cmake
+
+    steps:
+    - uses: actions/checkout@v4
+
+    - name: Install ninja valgrind (Linux)
+      if: runner.os == 'Linux'
+      run: sudo apt-get update && sudo apt-get install -y ninja-build valgrind
+
+    - name: Install ninja (macOS)
+      if: runner.os == 'macOS'
+      run: brew install ninja
+
+    - name: Set up Visual Studio shell (Windows)
+      if: runner.os == 'Windows'
+      uses: egor-tensin/vs-shell@v2
+      with:
+        arch: x64
+
+    - name: CTest
+      run: ctest -S ctest-shared.cmake -V --output-on-failure --timeout 900
+
+    - name: Upload results
+      uses: actions/upload-artifact@v4
+      with:
+        name: ${{ matrix.os }}-${{ github.job }}-results
+        path: ${{ github.workspace }}/${{ env.BUILD_DIR }}/Testing/
+
+  test-clang:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [macos-latest, ubuntu-latest, windows-latest]
+        shared_libs: [OFF, ON]
+        enable_module: [OFF, ON]
+
+    runs-on: ${{ matrix.os }}
+    env:
+      BUILD_DIR: _build
+
+    steps:
+    - uses: actions/checkout@v4
+
+    - name: Install ninja valgrind (Linux)
+      if: runner.os == 'Linux'
+      run: sudo apt-get update && sudo apt-get install -y ninja-build clang valgrind
+
+    - name: Install ninja (macOS)
+      if: runner.os == 'macOS'
+      run: brew install ninja
+
+    - name: Set up Visual Studio shell (Windows)
+      if: runner.os == 'Windows'
+      uses: egor-tensin/vs-shell@v2
+      with:
+        arch: x64
+
+    - name: CMake configure
+      if: runner.os == 'Linux'
+      run: CC=clang CXX=clang++ cmake -B ${{ env.BUILD_DIR }} -DBUILD_SHARED_LIBS=${{ matrix.shared_libs }} -DIPHREEQC_ENABLE_MODULE=${{ matrix.enable_module }} -DCMAKE_CXX_STANDARD=20 -DCMAKE_CXX_STANDARD_REQUIRED=ON
+
+    - name: CMake configure
+      if: runner.os == 'macOS'
+      run: CC=$(brew --prefix llvm@15)/bin/clang CXX=$(brew --prefix llvm@15)/bin/clang++ cmake -B ${{ env.BUILD_DIR }} -DBUILD_SHARED_LIBS=${{ matrix.shared_libs }} -DIPHREEQC_ENABLE_MODULE=${{ matrix.enable_module }} -DCMAKE_CXX_STANDARD=20 -DCMAKE_CXX_STANDARD_REQUIRED=ON
+
+    - name: CMake configure
+      if: runner.os == 'Windows'
+      run: cmake -B ${{ env.BUILD_DIR }} -A x64 -T "ClangCL" -DBUILD_SHARED_LIBS=${{ matrix.shared_libs }} -DIPHREEQC_ENABLE_MODULE=${{ matrix.enable_module }} -DCMAKE_CXX_STANDARD=20 -DCMAKE_CXX_STANDARD_REQUIRED=ON
+
+    - name: CMake build
+      run: cmake --build ${{ env.BUILD_DIR }}
+
+    - name: CTest
+      run: ctest --test-dir ${{ env.BUILD_DIR }}
+  
+    - name: Upload results
+      uses: actions/upload-artifact@v4
+      with:
+        name: ${{ matrix.os }}-${{ github.job }}-SHARED=${{ matrix.shared_libs }}-MODULE=${{ matrix.enable_module }}-results
+        path: ${{ github.workspace }}/${{ env.BUILD_DIR }}/Testing/
 
   chm:
     runs-on: windows-latest
diff --git a/CMakeLists.txt b/CMakeLists.txt
index c5ef4aaf..61b2aa1b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -271,6 +271,12 @@ if (MSVC_VERSION EQUAL 1400 OR MSVC_VERSION GREATER 1400)
   target_compile_definitions(IPhreeqc PUBLIC _SCL_SECURE_NO_WARNINGS)
 endif()
 
+if (WIN32 AND BUILD_SHARED_LIBS)
+  # Required to build IMPLIB
+  # (Seems to be automatically set when using Visual Studio as the generator)
+  target_compile_definitions(IPhreeqc PRIVATE _WINDLL)
+endif()
+
 # Allow user to override POSTFIX properties (but mandate them so that
 # all builds can be installed to the same directory)
 if (NOT CMAKE_DEBUG_POSTFIX)
@@ -409,10 +415,14 @@ if (STANDALONE_BUILD)
   if (BUILD_TESTING)  # may need to add MSVC version check
     include(FetchContent)
 
+    # Avoid warning about DOWNLOAD_EXTRACT_TIMESTAMP in CMake 3.24:
+    if (CMAKE_VERSION VERSION_GREATER_EQUAL "3.24.0")
+      cmake_policy(SET CMP0135 NEW)
+    endif()    
+
     FetchContent_Declare(
       googletest
-      GIT_REPOSITORY https://github.com/google/googletest.git
-      GIT_TAG        58d77fa8070e8cec2dc1ed015d66b454c8d78850 # release-1.12.1
+      URL https://github.com/google/googletest/archive/release-1.12.1.tar.gz
       )
 
     mark_as_advanced(
@@ -449,8 +459,11 @@ if (STANDALONE_BUILD)
 
     FetchContent_MakeAvailable(googletest)
     if (NOT googletest_POPULATED)
-      FetchContent_Populate(googletest)
-      add_subdirectory(${googletest_SOURCE_DIR} ${googletest_BINARY_DIR})
+      # Always build googletest static
+      set(SAVE_BUILD_SHARED_LIBS ${BUILD_SHARED_LIBS})
+      set(BUILD_SHARED_LIBS OFF)
+      FetchContent_MakeAvailable(googletest)
+      set(BUILD_SHARED_LIBS ${SAVE_BUILD_SHARED_LIBS})
     endif()
 
     add_subdirectory(gtest)
diff --git a/R/Makefile b/R/Makefile
index b3f67bf3..7e599e8c 100644
--- a/R/Makefile
+++ b/R/Makefile
@@ -32,9 +32,13 @@ DBS = \
 	ex15.ascii \
 	frezchem.ascii \
 	iso.ascii \
+	Kinec_v3.ascii \
+	Kinec.v2.ascii \
 	llnl.ascii \
 	minteq.ascii \
 	minteq.v4.ascii \
+	phreeqc_rates.ascii \
+	PHREEQC_ThermoddemV1.10_15Dec2020.ascii \
 	phreeqc.ascii \
 	pitzer.ascii \
 	sit.ascii \
diff --git a/R/R.cpp b/R/R.cpp
index 11bf1c4f..00b826b3 100644
--- a/R/R.cpp
+++ b/R/R.cpp
@@ -30,14 +30,14 @@ accumLine(SEXP line)
   const char* str_in;
 
   // check args
-  if (!isString(line) || length(line) != 1 || STRING_ELT(line, 0) == NA_STRING) {
-    error("AccumulateLine:line is not a single string\n");
+  if (!Rf_isString(line) || Rf_length(line) != 1 || STRING_ELT(line, 0) == NA_STRING) {
+    Rf_error("AccumulateLine:line is not a single string\n");
   }
 
   if (STRING_ELT(line, 0) != NA_STRING) {
     str_in = CHAR(STRING_ELT(line, 0));
     if (R::singleton().AccumulateLine(str_in) != VR_OK) {
-      error("%s", R::singleton().GetErrorString());
+      Rf_error("%s", R::singleton().GetErrorString());
     }
   }
 
@@ -50,18 +50,18 @@ accumLineLst(SEXP line)
   const char* str_in;
 
   // check args
-  if (!isString(line)) {
-    error("a character vector argument expected");
+  if (!Rf_isString(line)) {
+    Rf_error("a character vector argument expected");
   }
 
-  int n = length(line);
+  int n = Rf_length(line);
   //std::ostringstream oss;
 
   for (int i = 0; i < n; ++i) {
     if (STRING_ELT(line, i) != NA_STRING) {
       str_in = CHAR(STRING_ELT(line, 0));
       if (R::singleton().AccumulateLine(str_in) != VR_OK) {
-        error("%s", R::singleton().GetErrorString());
+        Rf_error("%s", R::singleton().GetErrorString());
       }
     }
   }
@@ -90,10 +90,10 @@ getAccumLines(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -132,22 +132,22 @@ getCol(int ncol)
 
   if (ns) {
     // all strings
-    PROTECT(ans = allocVector(STRSXP, rows-1));
+    Rf_protect(ans = Rf_allocVector(STRSXP, rows-1));
     for (int r = 1; r < rows; ++r) {
       VarInit(&vv);
       R::singleton().GetSelectedOutputValue(r, ncol, &vv);
       switch (vv.type) {
       case TT_EMPTY:
-        SET_STRING_ELT(ans, r-1, mkChar(""));
+        SET_STRING_ELT(ans, r-1, Rf_mkChar(""));
         break;
       case TT_ERROR:
         switch (vv.u.vresult) {
-        case VR_OK:          SET_STRING_ELT(ans, r-1, mkChar("VR_OK"));          break;
-        case VR_OUTOFMEMORY: SET_STRING_ELT(ans, r-1, mkChar("VR_OUTOFMEMORY")); break;
-        case VR_BADVARTYPE:  SET_STRING_ELT(ans, r-1, mkChar("VR_BADVARTYPE"));  break;
-        case VR_INVALIDARG:  SET_STRING_ELT(ans, r-1, mkChar("VR_INVALIDARG"));  break;
-        case VR_INVALIDROW:  SET_STRING_ELT(ans, r-1, mkChar("VR_INVALIDROW"));  break;
-        case VR_INVALIDCOL:  SET_STRING_ELT(ans, r-1, mkChar("VR_INVALIDCOL"));  break;
+        case VR_OK:          SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_OK"));          break;
+        case VR_OUTOFMEMORY: SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_OUTOFMEMORY")); break;
+        case VR_BADVARTYPE:  SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_BADVARTYPE"));  break;
+        case VR_INVALIDARG:  SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_INVALIDARG"));  break;
+        case VR_INVALIDROW:  SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_INVALIDROW"));  break;
+        case VR_INVALIDCOL:  SET_STRING_ELT(ans, r-1, Rf_mkChar("VR_INVALIDCOL"));  break;
         }
         break;
       case TT_LONG:
@@ -156,7 +156,7 @@ getCol(int ncol)
         } else {
           snprintf(buffer, sizeof(buffer), "%ld", vv.u.lVal);
         }
-        SET_STRING_ELT(ans, r-1, mkChar(buffer));
+        SET_STRING_ELT(ans, r-1, Rf_mkChar(buffer));
         break;
       case TT_DOUBLE:
         if (vv.u.dVal == -999.999 || vv.u.dVal == -99.) {
@@ -164,10 +164,10 @@ getCol(int ncol)
         } else {
           snprintf(buffer, sizeof(buffer), "%g", vv.u.dVal);
         }
-        SET_STRING_ELT(ans, r-1, mkChar(buffer));
+        SET_STRING_ELT(ans, r-1, Rf_mkChar(buffer));
         break;
       case TT_STRING:
-        SET_STRING_ELT(ans, r-1, mkChar(vv.u.sVal));
+        SET_STRING_ELT(ans, r-1, Rf_mkChar(vv.u.sVal));
         break;
       }
       VarClear(&vv);
@@ -176,7 +176,7 @@ getCol(int ncol)
   } // if (ns)
   else if (nd) {
     // all reals
-    PROTECT(ans = allocVector(REALSXP, rows-1));
+    Rf_protect(ans = Rf_allocVector(REALSXP, rows-1));
     for (int r = 1; r < rows; ++r) {
       VarInit(&vv);
       R::singleton().GetSelectedOutputValue(r, ncol, &vv);
@@ -210,7 +210,7 @@ getCol(int ncol)
   } // if (nd)
   else if (nl) {
     // all ints
-    PROTECT(ans = allocVector(INTSXP, rows-1));
+    Rf_protect(ans = Rf_allocVector(INTSXP, rows-1));
     for (int r = 1; r < rows; ++r) {
       VarInit(&vv);
       R::singleton().GetSelectedOutputValue(r, ncol, &vv);
@@ -237,7 +237,7 @@ getCol(int ncol)
   } // if (nl)
   else {
     // all NA
-    PROTECT(ans = allocVector(INTSXP, rows-1));
+    Rf_protect(ans = Rf_allocVector(INTSXP, rows-1));
     for (int r = 1; r < rows; ++r) {
       INTEGER(ans)[r-1] = NA_INTEGER;
     } // for
@@ -250,8 +250,8 @@ SEXP
 getDumpFileName(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetDumpFileName()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetDumpFileName()));
   UNPROTECT(1);
   return ans;
 }
@@ -270,10 +270,10 @@ getDumpStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -284,8 +284,8 @@ SEXP
 getErrorFileName(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetErrorFileName()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetErrorFileName()));
   UNPROTECT(1);
   return ans;
 }
@@ -294,7 +294,7 @@ SEXP
 getDumpFileOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetDumpFileOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -309,7 +309,7 @@ SEXP
 getDumpStringOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetDumpStringOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -324,7 +324,7 @@ SEXP
 getErrorFileOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetErrorFileOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -339,7 +339,7 @@ SEXP
 getErrorStringOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetErrorStringOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -354,7 +354,7 @@ SEXP
 getLogFileOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetLogFileOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -369,7 +369,7 @@ SEXP
 getLogStringOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetLogStringOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -384,7 +384,7 @@ SEXP
 getOutputStringOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetOutputStringOn()) {
     LOGICAL(ans)[0] = TRUE;
   }
@@ -409,10 +409,10 @@ getErrorStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -423,8 +423,8 @@ SEXP
 getLogFileName(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetLogFileName()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetLogFileName()));
   UNPROTECT(1);
   return ans;
 }
@@ -443,10 +443,10 @@ getLogStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -457,8 +457,8 @@ SEXP
 getOutputFileName(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetOutputFileName()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetOutputFileName()));
   UNPROTECT(1);
   return ans;
 }
@@ -467,7 +467,7 @@ SEXP
 getOutputFileOn(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(LGLSXP, 1));
+  Rf_protect(ans = Rf_allocVector(LGLSXP, 1));
   if (R::singleton().GetOutputFileOn()) {
     LOGICAL(ans)[0] = 1;
   }
@@ -492,10 +492,10 @@ getOutputStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -507,13 +507,13 @@ getSelectedOutputFileName(SEXP nuser)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isInteger(nuser) || length(nuser) != 1) {
-    error("GetSelectedOutputFileName:nuser must be a single integer\n");
+  if (!Rf_isInteger(nuser) || Rf_length(nuser) != 1) {
+    Rf_error("GetSelectedOutputFileName:nuser must be a single integer\n");
   }
   int save = R::singleton().GetCurrentSelectedOutputUserNumber();
   R::singleton().SetCurrentSelectedOutputUserNumber(INTEGER(nuser)[0]);
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetSelectedOutputFileName()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetSelectedOutputFileName()));
   UNPROTECT(1);
   R::singleton().SetCurrentSelectedOutputUserNumber(save);
   return ans;
@@ -533,10 +533,10 @@ getSelectedOutputStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -555,21 +555,21 @@ getSelectedOutputStringsLst(void)
     SEXP so;
     char buffer[80];
 
-    PROTECT(list = allocVector(VECSXP, n));
-    PROTECT(attr = allocVector(STRSXP, n));
+    Rf_protect(list = Rf_allocVector(VECSXP, n));
+    Rf_protect(attr = Rf_allocVector(STRSXP, n));
 
     int save = R::singleton().GetCurrentSelectedOutputUserNumber();
     for (int i = 0; i < n; ++i) {
       int d = R::singleton().GetNthSelectedOutputUserNumber(i);
       ::snprintf(buffer, sizeof(buffer), "n%d", d);
-      SET_STRING_ELT(attr, i, mkChar(buffer));
+      SET_STRING_ELT(attr, i, Rf_mkChar(buffer));
       R::singleton().SetCurrentSelectedOutputUserNumber(d);
-      PROTECT(so = getSelectedOutputStrings());
+      Rf_protect(so = getSelectedOutputStrings());
       SET_VECTOR_ELT(list, i, so);
       UNPROTECT(1);
     }
     R::singleton().SetCurrentSelectedOutputUserNumber(save);
-    setAttrib(list, R_NamesSymbol, attr);
+    Rf_setAttrib(list, R_NamesSymbol, attr);
 
     UNPROTECT(2);
   }
@@ -600,34 +600,34 @@ getSelOut(void)
     return list;
   }
 
-  PROTECT(list = allocVector(VECSXP, cols));
-  PROTECT(attr = allocVector(STRSXP, cols));
+  Rf_protect(list = Rf_allocVector(VECSXP, cols));
+  Rf_protect(attr = Rf_allocVector(STRSXP, cols));
   for (c = 0; c < cols; ++c) {
 
     VarInit(&vn);
     R::singleton().GetSelectedOutputValue(0, c, &vn);
 
-    PROTECT(col = getCol(c));
+    Rf_protect(col = getCol(c));
 
     SET_VECTOR_ELT(list, c, col);
-    SET_STRING_ELT(attr, c, mkChar(vn.u.sVal));
+    SET_STRING_ELT(attr, c, Rf_mkChar(vn.u.sVal));
 
     UNPROTECT(1);
     VarClear(&vn);
   }
 
-  setAttrib(list, R_NamesSymbol, attr);
+  Rf_setAttrib(list, R_NamesSymbol, attr);
 
   // Turn the data "list" into a "data.frame"
   // see model.c
 
-  PROTECT(klass = mkString("data.frame"));
-  setAttrib(list, R_ClassSymbol, klass);
+  Rf_protect(klass = Rf_mkString("data.frame"));
+  Rf_setAttrib(list, R_ClassSymbol, klass);
   UNPROTECT(1);
 
-  PROTECT(row_names = allocVector(INTSXP, rows-1));
+  Rf_protect(row_names = Rf_allocVector(INTSXP, rows-1));
   for (r = 0; r < rows-1; ++r) INTEGER(row_names)[r] = r+1;
-  setAttrib(list, R_RowNamesSymbol, row_names);
+  Rf_setAttrib(list, R_RowNamesSymbol, row_names);
   UNPROTECT(1);
 
   UNPROTECT(2);
@@ -646,21 +646,21 @@ getSelOutLst(void)
     SEXP so;
     char buffer[80];
 
-    PROTECT(list = allocVector(VECSXP, n));
-    PROTECT(attr = allocVector(STRSXP, n));
+    Rf_protect(list = Rf_allocVector(VECSXP, n));
+    Rf_protect(attr = Rf_allocVector(STRSXP, n));
 
     int save = R::singleton().GetCurrentSelectedOutputUserNumber();
     for (int i = 0; i < n; ++i) {
       int d = R::singleton().GetNthSelectedOutputUserNumber(i);
       ::snprintf(buffer, sizeof(buffer), "n%d", d);
-      SET_STRING_ELT(attr, i, mkChar(buffer));
+      SET_STRING_ELT(attr, i, Rf_mkChar(buffer));
       R::singleton().SetCurrentSelectedOutputUserNumber(d);
-      PROTECT(so = getSelOut());
+      Rf_protect(so = getSelOut());
       SET_VECTOR_ELT(list, i, so);
       UNPROTECT(1);
     }
     R::singleton().SetCurrentSelectedOutputUserNumber(save);
-    setAttrib(list, R_NamesSymbol, attr);
+    Rf_setAttrib(list, R_NamesSymbol, attr);
 
     UNPROTECT(2);
   }
@@ -671,8 +671,8 @@ SEXP
 getVersionString(void)
 {
   SEXP ans = R_NilValue;
-  PROTECT(ans = allocVector(STRSXP, 1));
-  SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetVersionString()));
+  Rf_protect(ans = Rf_allocVector(STRSXP, 1));
+  SET_STRING_ELT(ans, 0, Rf_mkChar(R::singleton().GetVersionString()));
   UNPROTECT(1);
   return ans;
 }
@@ -691,10 +691,10 @@ getWarningStrings(void)
     {
       lines.push_back(line);
     }
-    PROTECT(ans = allocVector(STRSXP, lines.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lines.size()));
     for (size_t i = 0; i < lines.size(); ++i)
     {
-      SET_STRING_ELT(ans, i, mkChar(lines[i].c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar(lines[i].c_str()));
     }
     UNPROTECT(1);
   }
@@ -708,10 +708,10 @@ listComps(void)
 
   std::list< std::string > lc = R::singleton().ListComponents();
   if (lc.size() > 0) {
-    PROTECT(ans = allocVector(STRSXP, lc.size()));
+    Rf_protect(ans = Rf_allocVector(STRSXP, lc.size()));
     std::list< std::string >::iterator li = lc.begin();
     for (int i = 0; li != lc.end(); ++i, ++li) {
-      SET_STRING_ELT(ans, i, mkChar((*li).c_str()));
+      SET_STRING_ELT(ans, i, Rf_mkChar((*li).c_str()));
     }
     UNPROTECT(1);
     return(ans);
@@ -726,14 +726,14 @@ loadDB(SEXP filename)
   const char* name;
 
   // check args
-  if (!isString(filename) || length(filename) != 1) {
-    error("'filename' is not a single string");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("'filename' is not a single string");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
 
   if (R::singleton().LoadDatabase(name) != VR_OK) {
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   return(R_NilValue);
@@ -743,11 +743,11 @@ SEXP
 loadDBLst(SEXP input)
 {
   // check args
-  if (!isString(input)) {
-    error("a character vector argument expected");
+  if (!Rf_isString(input)) {
+    Rf_error("a character vector argument expected");
   }
 
-  int n = length(input);
+  int n = Rf_length(input);
   std::ostringstream *poss = new std::ostringstream();
 
   for (int i = 0; i < n; ++i) {
@@ -759,7 +759,7 @@ loadDBLst(SEXP input)
   if (R::singleton().LoadDatabaseString((*poss).str().c_str()) != VR_OK) {
     // all dtors must be called before error
     delete poss;
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   delete poss;
@@ -772,14 +772,14 @@ loadDBStr(SEXP input)
   const char* string;
 
   // check args
-  if (!isString(input) || length(input) != 1) {
-    error("'input' is not a single string");
+  if (!Rf_isString(input) || Rf_length(input) != 1) {
+    Rf_error("'input' is not a single string");
   }
 
   string = CHAR(STRING_ELT(input, 0));
 
   if (R::singleton().LoadDatabaseString(string) != VR_OK) {
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   return(R_NilValue);
@@ -789,7 +789,7 @@ SEXP
 runAccum(void)
 {
   if (R::singleton().RunAccumulated() != VR_OK) {
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
   return(R_NilValue);
 }
@@ -800,13 +800,13 @@ runFile(SEXP filename)
   const char* name;
 
   // check args
-  if (!isString(filename) || length(filename) != 1 || STRING_ELT(filename, 0) == NA_STRING) {
-    error("'filename' must be a single character string");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1 || STRING_ELT(filename, 0) == NA_STRING) {
+    Rf_error("'filename' must be a single character string");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
   if (R::singleton().RunFile(name) != VR_OK) {
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   return(R_NilValue);
@@ -818,13 +818,13 @@ runString(SEXP input)
   const char* in;
 
   // check args
-  if (!isString(input)) {
-    error("a character vector argument expected");
+  if (!Rf_isString(input)) {
+    Rf_error("a character vector argument expected");
   }
 
   in = CHAR(STRING_ELT(input, 0));
   if (R::singleton().RunString(in) != VR_OK) {
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   return(R_NilValue);
@@ -834,11 +834,11 @@ SEXP
 runStringLst(SEXP input)
 {
   // check args
-  if (!isString(input)) {
-    error("a character vector argument expected");
+  if (!Rf_isString(input)) {
+    Rf_error("a character vector argument expected");
   }
 
-  int n = length(input);
+  int n = Rf_length(input);
   std::ostringstream *poss = new std::ostringstream();
 
   for (int i = 0; i < n; ++i) {
@@ -849,7 +849,7 @@ runStringLst(SEXP input)
 
   if (R::singleton().RunString((*poss).str().c_str()) != VR_OK) {
     delete poss;
-    error("%s", R::singleton().GetErrorString());
+    Rf_error("%s", R::singleton().GetErrorString());
   }
 
   delete poss;
@@ -862,8 +862,8 @@ setDumpFileName(SEXP filename)
   const char* name;
   SEXP ans = R_NilValue;
   // check args
-  if (!isString(filename) || length(filename) != 1) {
-    error("SetDumpFileName:filename is not a single string\n");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("SetDumpFileName:filename is not a single string\n");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
@@ -876,9 +876,9 @@ setDumpFileOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1 || LOGICAL(value)[0] == NA_LOGICAL) {
+  if (!Rf_isLogical(value) || Rf_length(value) != 1 || LOGICAL(value)[0] == NA_LOGICAL) {
     R::singleton().AddError("SetDumpFileOn: value must either be \"TRUE\" or \"FALSE\"");
-    error("value must either be \"TRUE\" or \"FALSE\"\n");
+    Rf_error("value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetDumpFileOn(LOGICAL(value)[0]);
   return(ans);
@@ -889,8 +889,8 @@ setDumpStringOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
-    error("SetDumpStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("SetDumpStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetDumpStringOn(LOGICAL(value)[0]);
   return(ans);
@@ -902,8 +902,8 @@ setErrorFileName(SEXP filename)
   const char* name;
   SEXP ans = R_NilValue;
   // check args
-  if (!isString(filename) || length(filename) != 1) {
-    error("SetErrorFileName:filename is not a single string\n");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("SetErrorFileName:filename is not a single string\n");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
@@ -916,9 +916,9 @@ setErrorFileOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1 || LOGICAL(value)[0] == NA_LOGICAL) {
+  if (!Rf_isLogical(value) || Rf_length(value) != 1 || LOGICAL(value)[0] == NA_LOGICAL) {
     R::singleton().AddError("SetErrorFileOn: value must either be \"TRUE\" or \"FALSE\"");
-    error("value must either be \"TRUE\" or \"FALSE\"\n");
+    Rf_error("value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetErrorFileOn(LOGICAL(value)[0]);
   return(ans);
@@ -929,8 +929,8 @@ setErrorStringOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
-    error("SetErrorStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("SetErrorStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetErrorStringOn(LOGICAL(value)[0]);
   return(ans);
@@ -942,8 +942,8 @@ setLogFileName(SEXP filename)
   const char* name;
   SEXP ans = R_NilValue;
   // check args
-  if (!isString(filename) || length(filename) != 1) {
-    error("SetLogFileName:filename is not a single string\n");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("SetLogFileName:filename is not a single string\n");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
@@ -956,9 +956,9 @@ setLogFileOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
     R::singleton().AddError("SetLogFileOn: value must either be \"TRUE\" or \"FALSE\"");
-    error("value must either be \"TRUE\" or \"FALSE\"");
+    Rf_error("value must either be \"TRUE\" or \"FALSE\"");
   }
   R::singleton().SetLogFileOn(LOGICAL(value)[0]);
   return(ans);
@@ -969,8 +969,8 @@ setLogStringOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
-    error("SetLogStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("SetLogStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetLogStringOn(LOGICAL(value)[0]);
   return(ans);
@@ -982,8 +982,8 @@ setOutputFileName(SEXP filename)
   const char* name;
   SEXP ans = R_NilValue;
   // check args
-  if (!isString(filename) || length(filename) != 1) {
-    error("SetOutputFileName:filename is not a single string\n");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("SetOutputFileName:filename is not a single string\n");
   }
 
   name = CHAR(STRING_ELT(filename, 0));
@@ -996,8 +996,8 @@ setOutputFileOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
-    error("value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetOutputFileOn(LOGICAL(value)[0]);
   return(ans);
@@ -1008,8 +1008,8 @@ setOutputStringOn(SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isLogical(value) || length(value) != 1) {
-    error("SetOutputStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("SetOutputStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
   }
   R::singleton().SetOutputStringOn(LOGICAL(value)[0]);
   return(ans);
@@ -1020,11 +1020,11 @@ setSelectedOutputFileName(SEXP nuser, SEXP filename)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isInteger(nuser) || length(nuser) != 1) {
-    error("SetSelectedOutputFileName:nuser must be a single integer\n");
+  if (!Rf_isInteger(nuser) || Rf_length(nuser) != 1) {
+    Rf_error("SetSelectedOutputFileName:nuser must be a single integer\n");
   }
-  if (!isString(filename) || length(filename) != 1) {
-    error("SetSelectedOutputFileName:filename is not a single string\n");
+  if (!Rf_isString(filename) || Rf_length(filename) != 1) {
+    Rf_error("SetSelectedOutputFileName:filename is not a single string\n");
   }
   int save = R::singleton().GetCurrentSelectedOutputUserNumber();
   const char* name = CHAR(STRING_ELT(filename, 0));
@@ -1039,11 +1039,11 @@ setSelectedOutputFileOn(SEXP nuser, SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isInteger(nuser) || length(nuser) != 1) {
-    error("nuser must be a single integer\n");
+  if (!Rf_isInteger(nuser) || Rf_length(nuser) != 1) {
+    Rf_error("nuser must be a single integer\n");
   }
-  if (!isLogical(value) || length(value) != 1) {
-    error("value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("value must either be \"TRUE\" or \"FALSE\"\n");
   }
   int save = R::singleton().GetCurrentSelectedOutputUserNumber();
   R::singleton().SetCurrentSelectedOutputUserNumber(INTEGER(nuser)[0]);
@@ -1057,11 +1057,11 @@ setSelectedOutputStringOn(SEXP nuser, SEXP value)
 {
   SEXP ans = R_NilValue;
   // check args
-  if (!isInteger(nuser) || length(nuser) != 1) {
-    error("SetSelectedOutputStringOn:nuser must be a single integer\n");
+  if (!Rf_isInteger(nuser) || Rf_length(nuser) != 1) {
+    Rf_error("SetSelectedOutputStringOn:nuser must be a single integer\n");
   }
-  if (!isLogical(value) || length(value) != 1) {
-    error("SetSelectedOutputStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
+  if (!Rf_isLogical(value) || Rf_length(value) != 1) {
+    Rf_error("SetSelectedOutputStringOn:value must either be \"TRUE\" or \"FALSE\"\n");
   }
   int save = R::singleton().GetCurrentSelectedOutputUserNumber();
   R::singleton().SetCurrentSelectedOutputUserNumber(INTEGER(nuser)[0]);
diff --git a/R/build-databases.R b/R/build-databases.R
index f65156d9..6e651cf6 100644
--- a/R/build-databases.R
+++ b/R/build-databases.R
@@ -10,19 +10,23 @@
 ##phreeqc.dat.string   <- paste(scan("../database/phreeqc.dat",   what="", sep="\n"), collapse="\n")
 ##wateq4f.dat.string   <- paste(scan("../database/wateq4f.dat",   what="", sep="\n"), collapse="\n")
 # lists
-Amm.dat            <- scan("Amm.ascii",            what="", sep="\n")
-ColdChem.dat       <- scan("ColdChem.ascii",       what="", sep="\n")
-core10.dat         <- scan("core10.ascii",         what="", sep="\n")
-ex15.dat           <- scan("ex15.ascii",           what="", sep="\n")
-frezchem.dat       <- scan("frezchem.ascii",       what="", sep="\n")
-iso.dat            <- scan("iso.ascii",            what="", sep="\n")
-llnl.dat           <- scan("llnl.ascii",           what="", sep="\n")
-minteq.dat         <- scan("minteq.ascii",         what="", sep="\n")
-minteq.v4.dat      <- scan("minteq.v4.ascii",      what="", sep="\n")
-pitzer.dat         <- scan("pitzer.ascii",         what="", sep="\n")
-sit.dat            <- scan("sit.ascii",            what="", sep="\n")
-Tipping_Hurley.dat <- scan("Tipping_Hurley.ascii", what="", sep="\n")
-phreeqc.dat        <- scan("phreeqc.ascii",        what="", sep="\n")
-wateq4f.dat        <- scan("wateq4f.ascii",        what="", sep="\n")
+Amm.dat                               <- scan("Amm.ascii",                               what="", sep="\n")
+ColdChem.dat                          <- scan("ColdChem.ascii",                          what="", sep="\n")
+core10.dat                            <- scan("core10.ascii",                            what="", sep="\n")
+ex15.dat                              <- scan("ex15.ascii",                              what="", sep="\n")
+frezchem.dat                          <- scan("frezchem.ascii",                          what="", sep="\n")
+iso.dat                               <- scan("iso.ascii",                               what="", sep="\n")
+Kinec_v3.dat                          <- scan("Kinec_v3.ascii",                          what="", sep="\n")
+Kinec.v2.dat                          <- scan("Kinec.v2.ascii",                          what="", sep="\n")
+llnl.dat                              <- scan("llnl.ascii",                              what="", sep="\n")
+minteq.dat                            <- scan("minteq.ascii",                            what="", sep="\n")
+minteq.v4.dat                         <- scan("minteq.v4.ascii",                         what="", sep="\n")
+phreeqc_rates.dat                     <- scan("phreeqc_rates.ascii",                     what="", sep="\n")
+PHREEQC_ThermoddemV1.10_15Dec2020.dat <- scan("PHREEQC_ThermoddemV1.10_15Dec2020.ascii", what="", sep="\n")
+pitzer.dat                            <- scan("pitzer.ascii",                            what="", sep="\n")
+sit.dat                               <- scan("sit.ascii",                               what="", sep="\n")
+Tipping_Hurley.dat                    <- scan("Tipping_Hurley.ascii",                    what="", sep="\n")
+phreeqc.dat                           <- scan("phreeqc.ascii",                           what="", sep="\n")
+wateq4f.dat                           <- scan("wateq4f.ascii",                           what="", sep="\n")
 save(list = ls(all = TRUE), file = "phreeqc/data/databases.rda", compress = "xz")
 rm(list = ls(all = TRUE))
diff --git a/R/phreeqc.R.in b/R/phreeqc.R.in
index 6f62c9a9..b53d6655 100644
--- a/R/phreeqc.R.in
+++ b/R/phreeqc.R.in
@@ -1377,37 +1377,6 @@ function(nuser, value) {
 
 
 
-##' @name phreeqc.dat
-##' @title The phreeqc.dat database
-##' @description phreeqc.dat is a phreeqc database file derived from PHREEQE,
-##' which is consistent with wateq4f.dat, but has a smaller set of elements and
-##' aqueous species. The database has been reformatted for use by
-##' \code{\link{phrLoadDatabaseString}}.
-##' @docType data
-##' @family Databases
-##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
-##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
-##' @usage phreeqc.dat  # phrLoadDatabaseString(phreeqc.dat)
-##' @keywords dataset
-NULL
-
-
-
-##' @name ex15.dat
-##' @title The ex15.dat database
-##' @description ex15.dat is a database used by example 15 (\code{\link{ex15}}).
-##' The database has been reformatted for use by
-##' \code{\link{phrLoadDatabaseString}}.
-##' @docType data
-##' @family Databases
-##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
-##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
-##' @usage ex15.dat  # phrLoadDatabaseString(ex15.dat)
-##' @keywords dataset
-NULL
-
-
-
 ##' @name Amm.dat
 ##' @title The Amm.dat database.
 ##' @description Amm.dat is the same as phreeqc.dat, except that ammonia redox
@@ -1456,14 +1425,16 @@ NULL
 
 
 
-##' @name Tipping_Hurley.dat
-##' @title The Tipping_Hurley.dat database
-##' @description Tipping_Hurley.dat is a database for organic-ligand
-##' binding approximating WHAM by Tipping and Hurley.
+##' @name ex15.dat
+##' @title The ex15.dat database
+##' @description ex15.dat is a database used by example 15 (\code{\link{ex15}}).
+##' The database has been reformatted for use by
 ##' \code{\link{phrLoadDatabaseString}}.
 ##' @docType data
 ##' @family Databases
-##' @usage Tipping_Hurley.dat  # phrLoadDatabaseString(Tipping_Hurley.dat)
+##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage ex15.dat  # phrLoadDatabaseString(ex15.dat)
 ##' @keywords dataset
 NULL
 
@@ -1484,15 +1455,51 @@ NULL
 
 
 
-##' @name wateq4f.dat
-##' @title The wateq4f.dat database.
-##' @description wateq4f.dat is a database derived from WATEQ4F. The database
-##' has been reformatted for use by \code{\link{phrLoadDatabaseString}}.
+##' @name iso.dat
+##' @title The iso.dat database.
+##' @description iso.dat is a partial implementation of the individual component
+##' approach to isotope calculations as described by Thorstenson and Parkhurst.
+##' The database has been reformatted for use by
+##' \code{\link{phrLoadDatabaseString}}.
 ##' @docType data
 ##' @family Databases
 ##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
 ##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
-##' @usage wateq4f.dat  # phrLoadDatabaseString(wateq4f.dat)
+##' @usage iso.dat  # phrLoadDatabaseString(iso.dat)
+##' @keywords dataset
+NULL
+
+
+
+##' @name Kinec_v3.dat
+##' @title Thermodynamic and rates database from Oelkers and coworkers.
+##' @description Kinec_v3.dat contains the parameters for calculating mineral
+##' dissolution rates for primary and secondary silicate minerals using the equations
+##' and parameters reported by Hermanska et al. (2022, 2023), and dissolution rates
+##' for other non)-silicate mineral systems using the equations and parameters
+##' reported by Oelkers and Addassi (2024, in preparation).
+##' @docType data
+##' @family Databases
+##' @references Hermanska et al. (2022, 2003) and Oelkers and Addassi (2024, in preparation).
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage Kinec_v3.dat  # phrLoadDatabaseString(Kinec_v3.dat)
+##' @keywords dataset
+NULL
+
+
+
+##' @name Kinec.v2.dat
+##' @title Thermodynamic and rates database from Oelkers and coworkers.
+##' @description Kinec.v2.dat contains the parameters for calculating mineral
+##' dissolution rates for primary and secondary silicate minerals using the equations
+##' and parameters reported by Hermanska et al. (2022, 2023), and dissolution rates
+##' for other non)-silicate mineral systems using the equations and parameters
+##' reported by Oelkers and Addassi (2024, in preparation).
+##' @docType data
+##' @family Databases
+##' @references Hermanska et al. (2022, 2003) and Oelkers and Addassi (2024, in preparation).
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage Kinec.v2.dat  # phrLoadDatabaseString(Kinec.v2.dat)
 ##' @keywords dataset
 NULL
 
@@ -1543,6 +1550,56 @@ NULL
 
 
 
+##' @name phreeqc_rates.dat
+##' @title Thermodynamic and rates database
+##' @description Same as the phreeqc.dat database, but with new data blocks
+##' RATE_PARAMETERS_HERMANSKA, RATE_PARAMETERS_PK, and
+##' RATE_PARAMETERS_SVD that tabulate rate parameters from Hermanska
+##' and others (2023), Palandri and Kharaka (2004), and Sverdrup and
+##' others (2019). The Sverdrup parameters are only for two minerals
+##' as a demonstration. Basic functions RATE_HERMANSKA, RATE_PK, and
+##' RATE_SVD can be used to calculate rates using the corresponding
+##' parameters.
+##' @docType data
+##' @family Databases
+##' @references Hermanska and others (2023), Palandri and Kharaka (2004),
+##' and Sverdrup and others (2019).
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage phreeqc_rates.dat  # phrLoadDatabaseString(phreeqc_rates.dat)
+##' @keywords dataset
+NULL
+
+
+
+##' @name PHREEQC_ThermoddemV1.10_15Dec2020.dat
+##' @title Thermochemical Database from the BRGM institute (French Geological Survey)
+##' @description Thermochemical Database from the BRGM institute (French Geological Survey)
+##' @docType data
+##' @family Databases
+##' @references \url{https://thermoddem.brgm.fr/}
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage PHREEQC_ThermoddemV1.10_15Dec2020.dat
+##' # phrLoadDatabaseString(PHREEQC_ThermoddemV1.10_15Dec2020.dat)
+NULL
+
+
+
+##' @name phreeqc.dat
+##' @title The phreeqc.dat database
+##' @description phreeqc.dat is a phreeqc database file derived from PHREEQE,
+##' which is consistent with wateq4f.dat, but has a smaller set of elements and
+##' aqueous species. The database has been reformatted for use by
+##' \code{\link{phrLoadDatabaseString}}.
+##' @docType data
+##' @family Databases
+##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
+##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
+##' @usage phreeqc.dat  # phrLoadDatabaseString(phreeqc.dat)
+##' @keywords dataset
+NULL
+
+
+
 ##' @name pitzer.dat
 ##' @title The pitzer.dat database.
 ##' @description pitzer.dat is a database for the specific-ion-interaction model
@@ -1574,17 +1631,28 @@ NULL
 
 
 
-##' @name iso.dat
-##' @title The iso.dat database.
-##' @description iso.dat is a partial implementation of the individual component
-##' approach to isotope calculations as described by Thorstenson and Parkhurst.
-##' The database has been reformatted for use by
+##' @name Tipping_Hurley.dat
+##' @title The Tipping_Hurley.dat database
+##' @description Tipping_Hurley.dat is a database for organic-ligand
+##' binding approximating WHAM by Tipping and Hurley.
 ##' \code{\link{phrLoadDatabaseString}}.
 ##' @docType data
 ##' @family Databases
+##' @usage Tipping_Hurley.dat  # phrLoadDatabaseString(Tipping_Hurley.dat)
+##' @keywords dataset
+NULL
+
+
+
+##' @name wateq4f.dat
+##' @title The wateq4f.dat database.
+##' @description wateq4f.dat is a database derived from WATEQ4F. The database
+##' has been reformatted for use by \code{\link{phrLoadDatabaseString}}.
+##' @docType data
+##' @family Databases
 ##' @references \url{https://pubs.usgs.gov/tm/06/a43/pdf/tm6-A43.pdf}
 ##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc}
-##' @usage iso.dat  # phrLoadDatabaseString(iso.dat)
+##' @usage wateq4f.dat  # phrLoadDatabaseString(wateq4f.dat)
 ##' @keywords dataset
 NULL
 
diff --git a/ctest-shared.cmake b/ctest-shared.cmake
new file mode 100644
index 00000000..a275e7f5
--- /dev/null
+++ b/ctest-shared.cmake
@@ -0,0 +1,32 @@
+include(CTestConfig.cmake)
+
+site_name(CTEST_SITE)
+set(CTEST_BUILD_NAME ${CMAKE_HOST_SYSTEM_NAME})
+
+set(CTEST_SOURCE_DIRECTORY "${CTEST_SCRIPT_DIRECTORY}")
+set(CTEST_BINARY_DIRECTORY "${CTEST_SCRIPT_DIRECTORY}/_ctest_shared")
+
+##set(ENV{CXXFLAGS} "--coverage")
+set(CTEST_CMAKE_GENERATOR Ninja)
+set(CTEST_CONFIGURATION_TYPE Debug)
+set(CTEST_BUILD_CONFIGURATION Debug)
+set(CTEST_USE_LAUNCHERS 1)
+
+set(CTEST_UPDATE_TYPE git)
+set(CTEST_UPDATE_COMMAND git)
+set(CTEST_UPDATE_VERSION_ONLY TRUE)
+
+##set(CTEST_COVERAGE_COMMAND "gcov")
+##find_program(CTEST_MEMORYCHECK_COMMAND NAMES valgrind)
+
+ctest_empty_binary_directory(${CTEST_BINARY_DIRECTORY})
+ctest_start("Continuous")
+ctest_update()
+ctest_configure(OPTIONS "-L;-DBUILD_SHARED_LIBS:BOOL=ON")
+ctest_build()
+ctest_test()
+#ctest_coverage()
+if (CTEST_MEMORYCHECK_COMMAND)
+  ctest_memcheck()
+endif()
+##ctest_submit()
diff --git a/database/Amm.dat b/database/Amm.dat
index e40c6bb2..c7169124 100644
--- a/database/Amm.dat
+++ b/database/Amm.dat
@@ -1,1405 +1,1417 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024  19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
+# Created 22 May 2024 19:55:37
+# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat
+
 # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 
 SOLUTION_MASTER_SPECIES
 #
-#element	species	alk	gfw_formula	element_gfw
+#element    species alk gfw_formula     element_gfw
 #
-H		H+	-1.0	H		1.008
-H(0)		H2	0	H
-H(1)		H+	-1.0	0
-E		e-	0	0.0		0
-O		H2O	0	O		16.0
-O(0)		O2	0	O
-O(-2)		H2O	0	0
-Ca		Ca+2	0	Ca		40.08
-Mg		Mg+2	0	Mg		24.312
-Na		Na+	0	Na		22.9898
-K		K+	0	K		39.102
-Fe		Fe+2	0	Fe		55.847
-Fe(+2)		Fe+2	0	Fe
-Fe(+3)		Fe+3	-2.0	Fe
-Mn		Mn+2	0	Mn		54.938
-Mn(+2)		Mn+2	0	Mn
-Mn(+3)		Mn+3	0	Mn
-Al		Al+3	0	Al		26.9815
-Ba		Ba+2	0	Ba		137.34
-Sr		Sr+2	0	Sr		87.62
-Si		H4SiO4	0	SiO2		28.0843
-Cl		Cl-	0	Cl		35.453
-C		CO3-2	2.0	HCO3		12.0111
-C(+4)		CO3-2	2.0	HCO3
-C(-4)		CH4	0	CH4
-Alkalinity	CO3-2	1.0	Ca0.5(CO3)0.5	50.05
-S		SO4-2	0	SO4		32.064
-S(6)		SO4-2	0	SO4
-S(-2)		HS-	1.0	S
-N		NO3-	0	N		14.0067
-N(+5)		NO3-	0	NO3
-N(+3)		NO2-	0	NO2
-N(0)		N2	0	N
-# N(-3)	NH4+		NH4	14.0067
-Amm		AmmH+	0	AmmH		17.031
-B		H3BO3	0	B		10.81
-P		PO4-3	2.0	P		30.9738
-F		F-	0	F		18.9984
-Li		Li+	0	Li		6.939
-Br		Br-	0	Br		79.904
-Zn		Zn+2	0	Zn		65.37
-Cd		Cd+2	0	Cd		112.4
-Pb		Pb+2	0	Pb		207.19
-Cu		Cu+2	0	Cu		63.546
-Cu(+2)		Cu+2	0	Cu
-Cu(+1)		Cu+1	0	Cu
-# redox-uncoupled gases
-Hdg		Hdg	0	Hdg		2.016 # H2 gas
-Oxg		Oxg	0	Oxg		32 # O2 gas
-Mtg		Mtg	0	Mtg		16.032 # CH4 gas
-Sg		H2Sg	 0.0	H2Sg		32.064 # H2S gas
-Ntg		Ntg	0	Ntg		28.0134 # N2 gas
+H           H+      -1  H               1.008
+H(0)        H2      0   H
+H(1)        H+      -1  H
+E           e-      1   0               0
+O           H2O     0   O               16
+O(0)        O2      0   O
+O(-2)       H2O     0   0
+Ca          Ca+2    0   Ca              40.08
+Mg          Mg+2    0   Mg              24.312
+Na          Na+     0   Na              22.9898
+K           K+      0   K               39.102
+Fe          Fe+2    0   Fe              55.847
+Fe(+2)      Fe+2    0   Fe
+Fe(+3)      Fe+3    -2  Fe
+Mn          Mn+2    0   Mn              54.938
+Mn(+2)      Mn+2    0   Mn
+Mn(+3)      Mn+3    0   Mn
+Al          Al+3    0   Al              26.9815
+Ba          Ba+2    0   Ba              137.34
+Sr          Sr+2    0   Sr              87.62
+Si          H4SiO4  0   SiO2            28.0843
+Cl          Cl-     0   Cl              35.453
+C           CO3-2   2   HCO3            12.0111
+C(+4)       CO3-2   2   HCO3
+C(-4)       CH4     0   CH4
+Alkalinity  CO3-2   1   Ca0.5(CO3)0.5   50.05
+S           SO4-2   0   SO4             32.064
+S(6)        SO4-2   0   SO4
+S(-2)       HS-     1   S
+N           NO3-    0   N               14.0067
+N(+5)       NO3-    0   NO3
+N(+3)       NO2-    0   NO2
+N(0)        N2      0   N
+#N(-3)      NH4+    0   NH4             14.0067
+Amm         AmmH+   0   AmmH            17.031
+B           H3BO3   0   B               10.81
+P           PO4-3   2   P               30.9738
+F           F-      0   F               18.9984
+Li          Li+     0   Li              6.939
+Br          Br-     0   Br              79.904
+Zn          Zn+2    0   Zn              65.37
+Cd          Cd+2    0   Cd              112.4
+Pb          Pb+2    0   Pb              207.19
+Cu          Cu+2    0   Cu              63.546
+Cu(+2)      Cu+2    0   Cu
+Cu(+1)      Cu+1    0   Cu
+#   redox-uncoupled gases
+Hdg         Hdg     0   Hdg             2.016   #   H2  gas
+Oxg         Oxg     0   Oxg             32      #   O2  gas
+Mtg         Mtg     0   Mtg             16.032  #   CH4 gas
+Sg          H2Sg    0   H2Sg            32.064  #   H2S gas
+Ntg         Ntg     0   Ntg             28.0134 #   N2  gas
 
 SOLUTION_SPECIES
 H+ = H+
-	-gamma	9.0	0
-	-dw	9.31e-9  1000  0.46  1e-10 # The dw parameters are defined in ref. 3.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-	-viscosity  9.35e-2  -8.31e-2  2.487e-2  4.49e-4  2.01e-2  1.570 # for viscosity parameters see ref. 4
+	-gamma 9 0
+	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
+	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
+#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
+# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
+
+# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
 e- = e-
 H2O = H2O
+	-dw 2.299e-9 -254
 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence
-Ca+2 = Ca+2
-	-gamma	5.0	0.1650
-	-dw	0.793e-9  97  3.4  24.6
-	-Vm  -0.3456  -7.252  6.149  -2.479  1.239  5  1.60  -57.1  -6.12e-3  1 # The apparent volume parameters are defined in ref. 1 & 2
-	-viscosity  0.359  -0.158  4.2e-2  1.5e-3  8.04e-3  2.30 # ref. 4, CaCl2 < 6 M
-Mg+2 = Mg+2
-	-gamma	5.5	0.20
-	-dw	0.705e-9  111  2.4  13.7
-	-Vm  -1.410  -8.6  11.13  -2.39  1.332  5.5  1.29  -32.9  -5.86e-3  1
-	-viscosity  0.426  0  0  1.66e-3  4.32e-3  2.461
-Na+ = Na+
-	-gamma	4.0	 0.075
-	-gamma	4.08 0.082 # halite solubility
-	-dw	1.33e-9  122  1.52  3.70
-	-Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.566
-# for calculating densities (rho) when I > 3...
-	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45
-	-viscosity  0.1387  -8.66e-2  1.25e-2  1.45e-2  7.5e-3  1.062
-K+ = K+
-	-gamma	3.5	0.015
-	-dw	1.96e-9  395  2.5  21
-	-Vm  3.322  -1.473  6.534  -2.712  9.06e-2  3.5  0  29.7  0  1
-	-viscosity  0.116  -0.191  1.52e-2  1.40e-2  2.59e-2  0.9028
-Fe+2 = Fe+2
-	-gamma	6.0	0
-	-dw	 0.719e-9
-	-Vm  -0.3255  -9.687  1.536  -2.379  0.3033  6  -4.21e-2  39.7  0  1
-Mn+2 = Mn+2
-	-gamma	6.0	0
-	-dw	 0.688e-9
-	-Vm  -1.10  -8.03  4.08  -2.45  1.4  6  8.07  0  -1.51e-2  0.118
-Al+3 = Al+3
-	-gamma	9.0	0
-	-dw	 0.559e-9
-	-Vm   -2.28  -17.1  10.9  -2.07  2.87  9  0  0  5.5e-3  1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
-Ba+2 = Ba+2
-	-gamma  5.0  0
-	-gamma	4.0  0.153 # Barite solubility
-	-dw 0.848e-9  100
-	-Vm  2.063  -10.06  1.9534  -2.36  0.4218  5  1.58  -12.03  -8.35e-3  1
-	-viscosity  0.338  -0.227  1.39e-2  3.07e-2  0  0.768
-Sr+2 = Sr+2
-	-gamma	5.260	0.121
-	-dw	 0.794e-9  161
-	-Vm  -1.57e-2  -10.15  10.18  -2.36  0.860  5.26  0.859  -27.0  -4.1e-3  1.97
-	-viscosity  0.472  -0.252  5.51e-3  3.67e-3  0  1.876
-H4SiO4 = H4SiO4
-	-dw	 1.10e-9
-	-Vm  10.5  1.7  20  -2.7  0.1291 # supcrt + 2*H2O in a1
-Cl- = Cl-
-	-gamma	3.5	  0.015
-	-gamma	3.63  0.017 # cf. pitzer.dat
-	-dw	2.03e-9  194  1.6  6.9
-	-Vm  4.465  4.801  4.325  -2.847  1.748  0  -0.331  20.16  0  1
-	-viscosity   0  0  0  0  0  0  1 # the reference solute
-CO3-2 = CO3-2
-	-gamma	5.4	0
-        -dw	0.955e-9  28.9  14.3  98.1
-	-Vm  8.69  -10.2  -20.31  -0.131  4.65  0  3.75  0  -4.04e-2  0.678
-	-viscosity  0  0.301  4.12e-2  1.44e-3  1.41e-2  1.364  -2.00
-SO4-2 = SO4-2
-	-gamma	5.0	-0.04
-	-dw	1.07e-9  187  2.64  22.6
-        -Vm  9.379  3.26  0  -7.13  4.30  0  0  0  -3.73e-2  0 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
-	-viscosity  -1.83  1.907  4.8e-4  1.7e-3  -1.60e-2  4.40  -0.143
-NO3- = NO3-
-	-gamma	3.0	0
-	-dw	1.9e-9  184  1.85  3.85
-	-Vm  6.32  6.78  0  -3.06  0.346  0  0.93  0  -0.012  1
-	-viscosity  8.37e-2  -0.458  1.54e-2  0.340  1.79e-2  5.02e-2  0.7381
-AmmH+ = AmmH+
-	-gamma	2.5	0
-	-dw	1.98e-9  312  0.95  4.53
-	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
-	-viscosity  9.9e-2  -0.159  1.36e-2  6.51e-3  3.21e-2  0.972
-H3BO3 = H3BO3
-	-dw	1.1e-9
-	-Vm 7.0643  8.8547  3.5844  -3.1451 -.2000  # supcrt
-PO4-3 = PO4-3
-	-gamma	4.0	0
-	-dw	 0.612e-9
-	-Vm   1.24  -9.07  9.31  -2.4  5.61  0  0  0  -1.41e-2  1
-F- = F-
-	-gamma	3.5	0
-	-dw	 1.46e-9  10
-	-Vm   0.928  1.36  6.27  -2.84  1.84  0  0  -0.318  0  1
 Li+ = Li+
-	-gamma	6.0	0
-	-dw	 1.03e-9  80
-	-Vm  -0.419  -0.069  13.16  -2.78  0.416  0  0.296  -12.4  -2.74e-3  1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
-	-viscosity  0.162  -2.45e-2  3.73e-2  9.7e-4  8.1e-4  2.087
+	-gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2
+	-Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
+	-viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl
+	-dw 1.03e-9 -14 4.03 0.8341 1.679
+Na+ = Na+
+	-gamma 4 0.075
+	-gamma 4.08 0.082 # halite solubility
+	-Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566
+	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45 # for densities (rho) when I > 3.
+	-viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062
+	-dw 1.33e-9 75 3.627 0 0.7037
+K+ = K+
+	-gamma 3.5 0.015
+	-Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1
+	-viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028
+	-dw 1.96e-9 254 3.484 0 0.1964
+Mg+2 = Mg+2
+	-gamma 5.5 0.2
+	-Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1
+	-viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461
+	-dw 0.705e-9 -4 5.569 0 1.047
+Ca+2 = Ca+2
+	-gamma 5 0.165
+	-Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1
+	-viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M
+	-dw 0.792e-9 34 5.411 0 1.046
+Sr+2 = Sr+2
+	-gamma 5.26 0.121
+	-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
+	-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
+	-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
+Ba+2 = Ba+2
+	-gamma 5 0
+	-gamma 4 0.153 # Barite solubility
+	-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1
+	-viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768
+	-dw 0.848e-9 174 10.53 0 3
+Fe+2 = Fe+2
+	-gamma 6 0
+	-Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1
+	-dw 0.719e-9
+Mn+2 = Mn+2
+	-gamma 6 0
+	-Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118
+	-dw 0.688e-9
+Al+3 = Al+3
+	-gamma 9 0
+	-Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353
+	-dw 0.559e-9
+H4SiO4 = H4SiO4
+	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
+	-dw 1.1e-9
+Cl- = Cl-
+	-gamma 3.5 0.015
+	-gamma 3.63 0.017 # cf. pitzer.dat
+	-Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1
+	-viscosity 0 0 0 0 0 0 1 # the reference solute
+	-dw 2.033e-9 216 3.16 0.2071 0.7432
+CO3-2 = CO3-2
+	-gamma 5.4 0
+	-Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316
+	-viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147
+	-dw 0.955e-9 -103 2.246 7.13e-2 0.3686
+SO4-2 = SO4-2
+	-gamma 5 -0.04
+	-Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
+	-viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605
+	-dw 1.07e-9 -114 17 6.02e-2 4.94e-2
+NO3- = NO3-
+	-gamma 3 0
+	-Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1
+	-viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381
+	-dw 1.9e-9 104 1.11
+AmmH+ = AmmH+
+	-gamma 2.5 0
+	-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+	-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+	-dw 1.98e-9 203 1.47 2.644 6.81e-2
+H3BO3 = H3BO3
+	-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
+	-dw 1.1e-9
+PO4-3 = PO4-3
+	-gamma 4 0
+	-Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1
+	-dw 0.612e-9
+F- = F-
+	-gamma 3.5 0
+	-Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1
+	-viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586
+	-dw 1.46e-9 -36 4.352
 Br- = Br-
-	-gamma	3.0	0
-	-dw	 2.01e-9  258
-	-Vm   6.72  2.85  4.21  -3.14  1.38  0  -9.56e-2  7.08  -1.56e-3  1
-	-viscosity  -1.15e-2  -5.75e-2  5.72e-2  1.46e-2  0.116  0.9295  0.820
+	-gamma 3 0
+	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
+	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-dw 2.09e-9 208 3.5 0 0.5737
 Zn+2 = Zn+2
-	-gamma	5.0	0
-	-dw	 0.715e-9
-	-Vm  -1.96  -10.4  14.3  -2.35  1.46  5  -1.43  24  1.67e-2  1.11
+	-gamma 5 0
+	-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
+	-dw 0.715e-9
 Cd+2 = Cd+2
-	-dw	 0.717e-9
-	-Vm   1.63  -10.7  1.01  -2.34  1.47  5  0  0  0  1
+	-Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1
+	-dw 0.717e-9
 Pb+2 = Pb+2
-	-dw	 0.945e-9
-	-Vm  -.0051  -7.7939  8.8134  -2.4568  1.0788 4.5 # supcrt
+	-Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt
+	-dw 0.945e-9
 Cu+2 = Cu+2
-	-gamma	6.0	0
-	-dw	 0.733e-9
-	-Vm   -1.13  -10.5  7.29  -2.35  1.61  6  9.78e-2  0  3.42e-3  1
+	-gamma 6 0
+	-Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1
+	-dw 0.733e-9
 # redox-uncoupled gases
 Hdg = Hdg # H2
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
 Oxg = Oxg # O2
-	-dw	 2.35e-9
-	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
 Mtg = Mtg # CH4
-	-dw   1.85e-9
-	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
 Ntg = Ntg # N2
-	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519
-	-Vm 7 # Pray et al., 1952, IEC 44. 1146
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
 H2Sg = H2Sg # H2S
-	-dw	 2.1e-9
-        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
 # aqueous species
 H2O = OH- + H+
-	-analytic  293.29227  0.1360833  -10576.913  -123.73158  0  -6.996455e-5
-	-gamma	3.5	0
-	-dw	 5.27e-9  548  0.52  1e-10
-	-Vm  -9.66  28.5  80.0 -22.9 1.89 0 1.09 0 0 1
-	-viscosity  -1.02e-1  0.189  9.4e-3  -4e-5  0  3.281  -2.053 # < 5 M Li,Na,KOH
+	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
+	-gamma 3.5 0
+	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
+	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-dw 5.27e-9 478 0.8695
 2 H2O = O2 + 4 H+ + 4 e-
-	-log_k	-86.08
+	-log_k -86.08
 	-delta_h 134.79 kcal
-	-dw	 2.35e-9
-	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
 2 H+ + 2 e- = H2
-	-log_k	-3.15
+	-log_k -3.15
 	-delta_h -1.759 kcal
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
 H+ + Cl- = HCl
-	-log_k  -0.5
-	-analytical_expression  0.334  -2.684e-3  1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
-	-gamma  0  0.4256
-	-viscosity  0.921  -0.765  8.32e-3  8.25e-4  2.53e-3 4.223
+	-log_k -0.5
+	-analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
+	-gamma 0 0.4256
+	-viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223
 CO3-2 + H+ = HCO3-
-	-log_k	10.329
-	-delta_h -3.561	kcal
-	-analytic  107.8871  0.03252849  -5151.79  -38.92561  563713.9
-	-gamma	5.4      0
-	-dw	1.18e-9  -182  0.351  -4.94
-	-Vm  9.03  -7.03e-2  -13.38  0  2.05  0  0  128  0  0.8242
-	-dw	1.18e-9  -182  0.351  -4.94
-	-viscosity  0  0.117  -2.91e-2  0  0  0  0.896
+	-log_k 10.329;  -delta_h -3.561 kcal
+	-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
+	-Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144
+	-viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253
+	-dw 1.18e-9 -190 11.386
 CO3-2 + 2 H+ = CO2 + H2O
-	-log_k	16.681
-	-delta_h -5.738	kcal
-	-analytic	464.1965	0.09344813	-26986.16	-165.75951	2248628.9
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   7.29  0.92  2.07  -1.23  -1.60 # McBride et al. 2015, JCED 60, 171
+	-log_k 16.681
+	-delta_h -5.738 kcal
+	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
-2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
 	-log_k -1.8
-	-analytical_expression  8.68  -0.0103  -2190
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   14.58  1.84  4.14  -2.46  -3.20
+	-analytical_expression 8.68 -0.0103 -2190
+	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
-	-log_k	41.071
+	-log_k 41.071
 	-delta_h -61.039 kcal
-	-dw   1.85e-9
-	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
 SO4-2 + H+ = HSO4-
-	-log_k	1.988
-	-delta_h 3.85	kcal
-	-analytic	-56.889	0.006473	2307.9	19.8858
-	-dw	 1.33e-9
-	-Vm 8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1
+	-log_k 1.988;  -delta_h 3.85 kcal
+	-analytic -56.889 0.006473 2307.9 19.8858
+	-Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1
+	-viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987
+	-dw 1.22e-9 1000 15 2.861
 HS- = S-2 + H+
-	-log_k	-12.918
-	-delta_h 12.1	kcal
-	-gamma	5.0	0
-	-dw	 0.731e-9
+	-log_k -12.918
+	-delta_h 12.1 kcal
+	-gamma 5 0
+	-dw 0.731e-9
 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
-	-log_k	33.65
-	-delta_h -60.140 kcal
-	-gamma	3.5	0
-	-dw	 1.73e-9
-	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
+	-log_k 33.65
+	-delta_h -60.14 kcal
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
 HS- + H+ = H2S
-	-log_k	6.994
-	-delta_h -5.30	kcal
-	-analytical  -11.17  0.02386  3279.0
-	-dw	 2.1e-9
-        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
-2H2S = (H2S)2 # activity correction for H2S solubility at high P, T
-	-analytical_expression   10.227  -0.01384  -2200
-	-dw	 2.1e-9
-	-Vm   36.41  -71.95  0  0  2.58
+	-log_k 6.994; -delta_h -5.3 kcal
+	-analytical -11.17 0.02386 3279
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
+2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
 H2Sg = HSg- + H+
-	-log_k	-6.994
-	-delta_h 5.30	kcal
-	-analytical_expression  11.17  -0.02386  -3279.0
-	-gamma 3.5	0
-	-dw	 1.73e-9
-	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
-2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
-	-analytical_expression   10.227  -0.01384  -2200
-	-dw	 2.1e-9
-	-Vm   36.41  -71.95  0  0  2.58
+	-log_k -6.994; -delta_h 5.3 kcal
+	-analytical_expression 11.17 -0.02386 -3279
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
+2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
 NO3- + 2 H+ + 2 e- = NO2- + H2O
-	-log_k	28.570
-	-delta_h -43.760 kcal
-	-gamma	3.0	0
-	-dw	 1.91e-9
-	-Vm  5.5864  5.8590  3.4472  -3.0212  1.1847 # supcrt
+	-log_k 28.57
+	-delta_h -43.76 kcal
+	-gamma 3 0
+	-Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt
+	-dw 1.91e-9
 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
-	-log_k	207.08
-	-delta_h -312.130	kcal
-	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519	
-	-Vm 7 # Pray et al., 1952, IEC 44. 1146
-AmmH+ = Amm + H+
-	-log_k	-9.252
-	-delta_h 12.48	kcal
-	-analytic  0.6322  -0.001225  -2835.76
-	-dw	 2.28e-9
-	-Vm   6.69  2.8  3.58  -2.88  1.43
-	-viscosity  0.08  0  0  7.82e-3  -0.134  -0.986
+	-log_k 207.08
+	-delta_h -312.13 kcal
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
 #NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O
-#	-log_k	119.077
-#	-delta_h -187.055	kcal
-#	-gamma	2.5	0
-#	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
+#	  -log_k  119.077
+#	  -delta_h -187.055	  kcal
+#	-gamma 2.5 0
+#	-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+#	-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+#	-dw 1.98e-9 203 1.47 2.644 6.81e-2
+AmmH+ = Amm + H+
+#NH4+ = NH3 + H+
+	-log_k -9.252
+	-delta_h 12.48 kcal
+	-analytic 0.6322 -0.001225 -2835.76
+	-Vm 6.69 2.8 3.58 -2.88 1.43
+	-viscosity 0.08 0 0 7.82e-3 -0.134 -0.986
+	-dw 2.28e-9
 AmmH+ + SO4-2 = AmmHSO4-
-        -log_k  1.11;  -delta_h  13.2 kcal
-        -gamma  5  -0.163
-        -Vm  13.56  0  -31.15  0  0  0  11.20  0  -0.1287  1
-        -dw  1.1e-9  400  1.85  200
-        -viscosity  0.262  0  0  9.49e-2  3.81e-2  0.438  0.507
+#NH4+ + SO4-2 = NH4SO4-
+	-gamma 6.54 -0.08
+	-log_k 1.106;	-delta_h 4.3 kcal
+	-Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339
+	-viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748
+	-dw 1.35e-9 500 12.5 3 -1
 H3BO3 = H2BO3- + H+
-	-log_k	-9.24
-	-delta_h 3.224	kcal
+	-log_k -9.24
+	-delta_h 3.224 kcal
 H3BO3 + F- = BF(OH)3-
-	-log_k	-0.4
-	-delta_h 1.850	kcal
+	-log_k -0.4
+	-delta_h 1.85 kcal
 H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
-	-log_k	7.63
-	-delta_h 1.618	kcal
+	-log_k 7.63
+	-delta_h 1.618 kcal
 H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
-	-log_k	13.67
-	-delta_h -1.614	kcal
+	-log_k 13.67
+	-delta_h -1.614 kcal
 H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
-	-log_k	20.28
-	-delta_h -1.846	kcal
+	-log_k 20.28
+	-delta_h -1.846 kcal
 PO4-3 + H+ = HPO4-2
-	-log_k	12.346
-	-delta_h -3.530	kcal
-	-gamma	5.0	0
-	-dw	0.69e-9
-	-Vm   3.52  1.09  8.39  -2.82  3.34  0  0  0  0  1
+	-log_k 12.346
+	-delta_h -3.53 kcal
+	-gamma 5 0
+	-dw 0.69e-9
+	-Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1
 PO4-3 + 2 H+ = H2PO4-
-	-log_k	19.553
-	-delta_h -4.520	kcal
-	-gamma	5.4	0
-	-dw	 0.846e-9
-	-Vm   5.58  8.06  12.2  -3.11  1.3  0  0  0  1.62e-2  1
-PO4-3 + 3H+ = H3PO4
-	log_k	21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
-	delta_h	-10.1	kJ
-	-Vm   7.47  12.4  6.29  -3.29  0
+	-log_k 19.553
+	-delta_h -4.52 kcal
+	-gamma 5.4 0
+	-Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1
+	-dw 0.846e-9
+PO4-3 + 3 H+ = H3PO4
+	log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
+	delta_h -10.1 kJ
+	-Vm 7.47 12.4 6.29 -3.29 0
 H+ + F- = HF
-	-log_k	3.18
-	-delta_h 3.18	kcal
-	-analytic	-2.033	0.012645	429.01
-	-Vm  3.4753  .7042  5.4732  -2.8081  -.0007 # supcrt
+	-log_k 3.18
+	-delta_h 3.18 kcal
+	-analytic -2.033 0.012645 429.01
+	-Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt
 H+ + 2 F- = HF2-
-	-log_k	3.76
-	-delta_h 4.550	kcal
-	-Vm  5.2263  4.9797  3.7928  -2.9849  1.2934 # supcrt
+	-log_k 3.76
+	-delta_h 4.55 kcal
+	-Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt
 Ca+2 + H2O = CaOH+ + H+
-	-log_k	-12.78
+	-log_k -12.78
 Ca+2 + CO3-2 = CaCO3
-	-log_k	3.224
-	-delta_h 3.545	kcal
-	-analytic	-1228.732	-0.299440	35512.75	485.818
-	-dw 4.46e-10	# complexes: calc'd with the Pikal formula
-	-Vm  -.2430  -8.3748  9.0417  -2.4328  -.0300 # supcrt
+	-log_k 3.224; -delta_h 3.545 kcal
+	-analytic -1228.732 -0.29944 35512.75 485.818
+	-dw 4.46e-10 # complexes: calc'd with the Pikal formula
+	-Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt
 Ca+2 + CO3-2 + H+ = CaHCO3+
-	-log_k	11.435
-	-delta_h -0.871	kcal
-	-analytic	1317.0071	0.34546894	-39916.84	-517.70761	563713.9
-	-gamma	6.0	0
+	-log_k 10.91; -delta_h 4.38 kcal
+	-analytic -6.009 3.377e-2 2044
+	-gamma 6 0
+	-Vm 30.19 .01 5.75 -2.78 .308 5.4
 	-dw 5.06e-10
-	-Vm  3.1911  .0104  5.7459  -2.7794  .3084 5.4 # supcrt
 Ca+2 + SO4-2 = CaSO4
-	-log_k	2.25
-	-delta_h 1.325	kcal
+	-log_k 2.25
+	-delta_h 1.325 kcal
 	-dw 4.71e-10
-	-Vm  2.7910  -.9666  6.1300  -2.7390  -.0010 # supcrt
+	-Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt
 Ca+2 + HSO4- = CaHSO4+
-	-log_k	  1.08
+	-log_k 1.08
 Ca+2 + PO4-3 = CaPO4-
-	-log_k	6.459
-	-delta_h 3.10	kcal
-	-gamma  5.4  0.0 
+	-log_k 6.459
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
 Ca+2 + HPO4-2 = CaHPO4
-	-log_k	2.739
+	-log_k 2.739
 	-delta_h 3.3 kcal
 Ca+2 + H2PO4- = CaH2PO4+
-	-log_k	1.408
+	-log_k 1.408
 	-delta_h 3.4 kcal
-	-gamma  5.4  0.0 
+	-gamma 5.4 0
 # Ca+2 + F- = CaF+
 	# -log_k	0.94
 	# -delta_h 4.120	kcal
-	# -gamma  5.5  0.0 
-	# -Vm  .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
+	# -gamma	5.5  0.0
+	# -Vm   .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
 Mg+2 + H2O = MgOH+ + H+
-	-log_k	-11.44
+	-log_k -11.44
 	-delta_h 15.952 kcal
-	-gamma	6.5	0
+	-gamma 6.5 0
 Mg+2 + CO3-2 = MgCO3
-	-log_k	2.98
-	-delta_h 2.713	kcal
-	-analytic	0.9910	0.00667
+	-log_k 2.98
+	-delta_h 2.713 kcal
+	-analytic 0.991 0.00667
+	-Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt
 	-dw 4.21e-10
-	-Vm  -.5837  -9.2067  9.3687  -2.3984  -.0300 # supcrt
 Mg+2 + H+ + CO3-2 = MgHCO3+
-	-log_k	11.399
+	-log_k 11.399
 	-delta_h -2.771 kcal
-	-analytic	48.6721	0.03252849	-2614.335	-18.00263	563713.9
-	-gamma	4.0	0
+	-analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
+	-gamma 4 0
+	-Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt
 	-dw 4.78e-10
-	-Vm  2.7171  -1.1469  6.2008  -2.7316  .5985 4 # supcrt
 Mg+2 + SO4-2 = MgSO4
-        -log_k  2.42; -delta_h  19.0 kJ
-        -analytical_expression  0  9.64e-3  -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
-        -gamma  0  0.20
-        -Vm  13.18  -25.67  -21.23  0  0.800  0  0  0  0  0
-        -dw 4.45e-10
-        -viscosity  -0.590  0.768  -3.8e-4  0.283  1.1e-3  1.09  0
+	-gamma 0 0.2
+	-log_k 2.42; -delta_h 19 kJ
+	-analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm 8.65 -10.21 29.58 -18.6 1.061
+	-viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696
+	-dw 4.45e-10
 SO4-2 + MgSO4 = Mg(SO4)2-2
-        -log_k  0.52; -delta_h  -13.6 kJ
-        -analytical_expression  0  -1.51e-3  0  0  8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
-        -gamma  7  0.047
-        -Vm  12.725  -28.73  0.219  0  -0.264  0  23.44  0  0.213  5.1e-2
-        -Dw   1e-9  -2926  6.10e-2  -5.41
-        -viscosity  -0.162  9.6e-4  -4.65e-2  0.179  1.56e-2  1.66  0
+	-gamma 7 0.047
+	-log_k 0.52; -delta_h -13.6 kJ
+	-analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2
+	-viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3
+	-dw 0.845e-9 -200 8 0 0.965
 Mg+2 + PO4-3 = MgPO4-
-	-log_k	6.589
-	-delta_h 3.10	kcal
-	-gamma	5.4	0
+	-log_k 6.589
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
 Mg+2 + HPO4-2 = MgHPO4
-	-log_k	2.87
+	-log_k 2.87
 	-delta_h 3.3 kcal
 Mg+2 + H2PO4- = MgH2PO4+
-	-log_k	1.513
+	-log_k 1.513
 	-delta_h 3.4 kcal
-	-gamma	5.4	0
+	-gamma 5.4 0
 Mg+2 + F- = MgF+
-	-log_k	1.82
-	-delta_h 3.20	kcal
-	-gamma	4.5	0
-	-Vm  .6494  -6.1958  8.1852  -2.5229  .9706 4.5 # supcrt
+	-log_k 1.82
+	-delta_h 3.2 kcal
+	-gamma 4.5 0
+	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
 Na+ + OH- = NaOH
-	-log_k	-10 # remove this complex
-# Na+ + CO3-2 = NaCO3- # the CO3-2 cmplx is not necessary for the SC
-	# -log_k	1.27
-	# -delta_h 8.91 kcal
-	# -dw  1.2e-9  -400  1e-10  1e-10
-	# -Vm  3.812  0.196  20.0  -9.60  3.02  1e-5  2.65  0  2.54e-2  1
-	# -viscosity  0.104  -1.65  0.169  8.66e-2  2.60e-2  1.76  -0.90
+	-log_k -10 # remove this complex
 Na+ + HCO3- = NaHCO3
-	-log_k  -0.18; -delta_h  27 kJ
-        -analytical_expression  0.1  -6.111e-3  -1600  2.794 # optimized with data in Appelo, 2015, Appl. Geochem. 55, 62–71.
-        -gamma  0  0.23
-	-dw  6.73e-10  -400  1e-10  1e-10
-	-Vm  9  -6
-	-viscosity  0  0  0  0.1  3e-2
+	-log_k -0.06; -delta_h 21 kJ
+	-gamma 0 0.2
+	-Vm 7.95 0 0 0 0.609
+	-viscosity -4e-2 -2.717 1.67e-5
+	-dw 6.73e-10
 Na+ + SO4-2 = NaSO4-
-        -log_k   0.6; -delta_h -14.4 kJ
-        -analytical_expression  -7.99  1.637e-2  0  0  3.29e5 # mirabilite/thenardite solubilities, 0 - 200 oC
-        -gamma 0 0
-        -Vm   9.993  -8.75  0  -2.95  2.59  0  8.40  0  -1.82e-2  0.672
-        -dw   1.183e-9  438  1e-10  1e-10
-        -viscosity  7.94e-2  6.96e-2  1.51e-2  7.62e-2  2.84e-2  1.74  0.120
+	-gamma 5.5 0
+	-log_k 0.6; -delta_h -14.4 kJ
+	-analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC
+	-Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325
+	-viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208
+	-dw 1.13e-9 -23 8.5 0.392 0.521
 Na+ + HPO4-2 = NaHPO4-
-	-log_k	0.29
-	-gamma	5.4	0
-	-Vm    5.2  8.1  13  -3  0.9  0  0  1.62e-2  1
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1
 Na+ + F- = NaF
-	-log_k	-0.24
-	-Vm  2.7483  -1.0708  6.1709  -2.7347  -.030 # supcrt
+	-log_k -0.24
+	-Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt
+K+ + HCO3- = KHCO3
+	-log_k -0.35;  -delta_h 12 kJ
+	-gamma 0 9.4e-3
+	-Vm 9.48 0 0 0 -0.542
+	-viscosity 0.7 -1.289 9e-2
 K+ + SO4-2 = KSO4-
-        -log_k   0.6; -delta_h -10.4 kJ
-        -analytical_expression  -4.022  8.217e-3  0  0  1.90e5 # arcanite solubility, 0 - 200 oC
-        -gamma  0  8.3e-3
-        -Vm  8.942  -5.05  -15.03  0  3.61  0  25.14  0  -5.06e-2  0.166
-        -dw  5.11e-10  1694  -0.587  -4.43
-        -viscosity  -2.71  3.09  6e-4  -0.629  9.38e-2  0.778  0.975
+	-gamma 5.4 0.19
+	-log_k 0.6; -delta_h -10.4 kJ
+	-analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC
+	-Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919
+	-viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69
+	-dw 0.9e-9 63 8.48 0 1.8
 K+ + HPO4-2 = KHPO4-
-	-log_k	0.29
-	-gamma	5.4	0
-	-Vm   5.4  8.1  19  -3.1  0.7  0  0  0  1.62e-2  1
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1
 Fe+2 + H2O = FeOH+ + H+
-	-log_k	-9.5
-	-delta_h 13.20	kcal
-	-gamma	5.0	0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+ 
-	-log_k -31.0
+	-log_k -9.5
+	-delta_h 13.2 kcal
+	-gamma 5 0
+Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+	-log_k -31
 	-delta_h 30.3 kcal
-	-gamma  5.0 0
+	-gamma 5 0
 Fe+2 + Cl- = FeCl+
-	-log_k	0.14
+	-log_k 0.14
 Fe+2 + CO3-2 = FeCO3
-	-log_k	4.38
+	-log_k 4.38
 Fe+2 + HCO3- = FeHCO3+
-	-log_k	2.0
+	-log_k 2
 Fe+2 + SO4-2 = FeSO4
-	-log_k	2.25
-	-delta_h 3.230	kcal
-	-Vm   -13  0  123
+	-log_k 2.25
+	-delta_h 3.23 kcal
+	-Vm -13 0 123
 Fe+2 + HSO4- = FeHSO4+
-	-log_k	1.08
-Fe+2 + 2HS- = Fe(HS)2
-	-log_k	8.95
-Fe+2 + 3HS- = Fe(HS)3-
-	-log_k	10.987
+	-log_k 1.08
+Fe+2 + 2 HS- = Fe(HS)2
+	-log_k 8.95
+Fe+2 + 3 HS- = Fe(HS)3-
+	-log_k 10.987
 Fe+2 + HPO4-2 = FeHPO4
-	-log_k	3.6
+	-log_k 3.6
 Fe+2 + H2PO4- = FeH2PO4+
-	-log_k	2.7
-	-gamma	5.4	0
+	-log_k 2.7
+	-gamma 5.4 0
 Fe+2 + F- = FeF+
-	-log_k	1.0
+	-log_k 1
 Fe+2 = Fe+3 + e-
-	-log_k	-13.02
-	-delta_h 9.680	kcal
-	-gamma	9.0	0
+	-log_k -13.02
+	-delta_h 9.68 kcal
+	-gamma 9 0
 Fe+3 + H2O = FeOH+2 + H+
-	-log_k	-2.19
-	-delta_h 10.4	kcal
-	-gamma	5.0	0
+	-log_k -2.19
+	-delta_h 10.4 kcal
+	-gamma 5 0
 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
-	-log_k	-5.67
-	-delta_h 17.1	kcal
-	-gamma	5.4	0
+	-log_k -5.67
+	-delta_h 17.1 kcal
+	-gamma 5.4 0
 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
-	-log_k	-12.56
-	-delta_h 24.8	kcal
+	-log_k -12.56
+	-delta_h 24.8 kcal
 Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
-	-log_k	-21.6
-	-delta_h 31.9	kcal
-	-gamma	5.4	0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+ 
-	-log_k  -20.57
-	-delta_h 28.565 kcal  
+	-log_k -21.6
+	-delta_h 31.9 kcal
+	-gamma 5.4 0
+Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+	-log_k -20.57
+	-delta_h 28.565 kcal
 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
-	-log_k	-2.95
-	-delta_h 13.5	kcal
+	-log_k -2.95
+	-delta_h 13.5 kcal
 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
-	-log_k	-6.3
-	-delta_h 14.3	kcal
+	-log_k -6.3
+	-delta_h 14.3 kcal
 Fe+3 + Cl- = FeCl+2
-	-log_k	1.48
-	-delta_h 5.6	kcal
-	-gamma	5.0	0
+	-log_k 1.48
+	-delta_h 5.6 kcal
+	-gamma 5 0
 Fe+3 + 2 Cl- = FeCl2+
-	-log_k	2.13
-	-gamma	5.0	0
+	-log_k 2.13
+	-gamma 5 0
 Fe+3 + 3 Cl- = FeCl3
-	-log_k	1.13
+	-log_k 1.13
 Fe+3 + SO4-2 = FeSO4+
-	-log_k	4.04
-	-delta_h 3.91	kcal
-	-gamma	5.0	0
+	-log_k 4.04
+	-delta_h 3.91 kcal
+	-gamma 5 0
 Fe+3 + HSO4- = FeHSO4+2
-	-log_k	2.48
+	-log_k 2.48
 Fe+3 + 2 SO4-2 = Fe(SO4)2-
-	-log_k	5.38
-	-delta_h 4.60	kcal
+	-log_k 5.38
+	-delta_h 4.6 kcal
 Fe+3 + HPO4-2 = FeHPO4+
-	-log_k	5.43
-	-delta_h 5.76	kcal
-	-gamma	5.0	0
+	-log_k 5.43
+	-delta_h 5.76 kcal
+	-gamma 5 0
 Fe+3 + H2PO4- = FeH2PO4+2
-	-log_k	5.43
-	-gamma	5.4	0
+	-log_k 5.43
+	-gamma 5.4 0
 Fe+3 + F- = FeF+2
-	-log_k	6.2
-	-delta_h 2.7	kcal
-	-gamma	5.0	0
+	-log_k 6.2
+	-delta_h 2.7 kcal
+	-gamma 5 0
 Fe+3 + 2 F- = FeF2+
-	-log_k	10.8
-	-delta_h 4.8	kcal
-	-gamma	5.0	0
+	-log_k 10.8
+	-delta_h 4.8 kcal
+	-gamma 5 0
 Fe+3 + 3 F- = FeF3
-	-log_k	14.0
-	-delta_h 5.4	kcal
+	-log_k 14
+	-delta_h 5.4 kcal
 Mn+2 + H2O = MnOH+ + H+
-	-log_k	-10.59
-	-delta_h 14.40	kcal
-	-gamma	5.0	0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+ 
-	-log_k  -34.8
-	-gamma	5.0	0
+	-log_k -10.59
+	-delta_h 14.4 kcal
+	-gamma 5 0
+Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+	-log_k -34.8
+	-gamma 5 0
 Mn+2 + Cl- = MnCl+
-	-log_k	0.61
-	-gamma	5.0	0
-	-Vm   7.25  -1.08  -25.8  -2.73  3.99  5  0  0  0  1
+	-log_k 0.61
+	-gamma 5 0
+	-Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1
 Mn+2 + 2 Cl- = MnCl2
-	-log_k	0.25
-	-Vm   1e-5  0  144
+	-log_k 0.25
+	-Vm 1e-5 0 144
 Mn+2 + 3 Cl- = MnCl3-
-	-log_k	-0.31
-	-gamma	5.0	0
-	-Vm   11.8  0  0  0  2.4  0  0  0  3.6e-2  1
+	-log_k -0.31
+	-gamma 5 0
+	-Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1
 Mn+2 + CO3-2 = MnCO3
-	-log_k	4.9
+	-log_k 4.9
 Mn+2 + HCO3- = MnHCO3+
-	-log_k	1.95
-	-gamma	5.0	0
+	-log_k 1.95
+	-gamma 5 0
 Mn+2 + SO4-2 = MnSO4
-	-log_k	2.25
-	-delta_h 3.370	kcal
-	-Vm  -1.31  -1.83  62.3  -2.7
+	-log_k 2.25
+	-delta_h 3.37 kcal
+	-Vm -1.31 -1.83 62.3 -2.7
 Mn+2 + 2 NO3- = Mn(NO3)2
-	-log_k	0.6
-	-delta_h -0.396	kcal
-	-Vm  6.16  0  29.4  0  0.9
+	-log_k 0.6
+	-delta_h -0.396 kcal
+	-Vm 6.16 0 29.4 0 0.9
 Mn+2 + F- = MnF+
-	-log_k	0.84
-	-gamma	5.0	0
+	-log_k 0.84
+	-gamma 5 0
 Mn+2 = Mn+3 + e-
-	-log_k	-25.51
-	-delta_h 25.80	kcal
-	-gamma	9.0	0
+	-log_k -25.51
+	-delta_h 25.8 kcal
+	-gamma 9 0
 Al+3 + H2O = AlOH+2 + H+
-	-log_k	-5.0
-	-delta_h 11.49	kcal
-	-analytic	-38.253	0.0	-656.27	14.327
-	-gamma	5.4	0
-	-Vm   -1.46  -11.4  10.2  -2.31  1.67  5.4  0  0  0  1  # Barta and Hepler, 1986, Can. J. Chem. 64, 353.
+	-log_k -5
+	-delta_h 11.49 kcal
+	-analytic -38.253 0 -656.27 14.327
+	-gamma 5.4 0
+	-Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353
 Al+3 + 2 H2O = Al(OH)2+ + 2 H+
-	-log_k	-10.1
-	-delta_h 26.90	kcal
-	-gamma	5.4	0
-	-analytic	88.50	0.0	-9391.6	-27.121
+	-log_k -10.1
+	-delta_h 26.9 kcal
+	-gamma 5.4 0
+	-analytic 88.5 0 -9391.6 -27.121
 Al+3 + 3 H2O = Al(OH)3 + 3 H+
-	-log_k	-16.9
-	-delta_h 39.89	kcal
-	-analytic	226.374	0.0	-18247.8	-73.597
+	-log_k -16.9
+	-delta_h 39.89 kcal
+	-analytic 226.374 0 -18247.8 -73.597
 Al+3 + 4 H2O = Al(OH)4- + 4 H+
-	-log_k	-22.7
-	-delta_h 42.30	kcal
-	-analytic	51.578	0.0	-11168.9	-14.865
-	-gamma	4.5	0
+	-log_k -22.7
+	-delta_h 42.3 kcal
+	-analytic 51.578 0 -11168.9 -14.865
+	-gamma 4.5 0
 	-dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959
 Al+3 + SO4-2 = AlSO4+
-	-log_k	3.5
+	-log_k 3.5
 	-delta_h 2.29 kcal
-	-gamma	4.5	0
-Al+3 + 2SO4-2 = Al(SO4)2-
-	-log_k	5.0
+	-gamma 4.5 0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+	-log_k 5
 	-delta_h 3.11 kcal
-	-gamma	4.5	0
+	-gamma 4.5 0
 Al+3 + HSO4- = AlHSO4+2
-	-log_k	0.46
+	-log_k 0.46
 Al+3 + F- = AlF+2
-	-log_k	7.0
-	-delta_h 1.060	kcal
-	-gamma	5.4	0
+	-log_k 7
+	-delta_h 1.06 kcal
+	-gamma 5.4 0
 Al+3 + 2 F- = AlF2+
-	-log_k	12.7
-	-delta_h 1.980	kcal
-	-gamma	5.4	0
+	-log_k 12.7
+	-delta_h 1.98 kcal
+	-gamma 5.4 0
 Al+3 + 3 F- = AlF3
-	-log_k	16.8
-	-delta_h 2.160	kcal
+	-log_k 16.8
+	-delta_h 2.16 kcal
 Al+3 + 4 F- = AlF4-
-	-log_k	19.4
-	-delta_h 2.20	kcal
-	-gamma	4.5	0
+	-log_k 19.4
+	-delta_h 2.2 kcal
+	-gamma 4.5 0
 # Al+3 + 5 F- = AlF5-2
-	# log_k	20.6
-	# delta_h 1.840	kcal
+	# log_k 20.6
+	# delta_h 1.840 kcal
 # Al+3 + 6 F- = AlF6-3
-	# log_k	20.6
+	# log_k 20.6
 	# delta_h -1.670	kcal
 H4SiO4 = H3SiO4- + H+
-	-log_k	-9.83
-	-delta_h 6.12	kcal
-	-analytic	-302.3724	-0.050698	15669.69	108.18466	-1119669.0
-	-gamma	4	0
-	-Vm  7.94  1.0881  5.3224  -2.8240  1.4767 # supcrt + H2O in a1
+	-log_k -9.83
+	-delta_h 6.12 kcal
+	-analytic -302.3724 -0.050698 15669.69 108.18466 -1119669
+	-gamma 4 0
+	-Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1
 H4SiO4 = H2SiO4-2 + 2 H+
-	-log_k	-23.0
-	-delta_h 17.6	kcal
-	-analytic	-294.0184	-0.072650	11204.49	108.18466	-1119669.0
-	-gamma	5.4	0
+	-log_k -23
+	-delta_h 17.6 kcal
+	-analytic -294.0184 -0.07265 11204.49 108.18466 -1119669
+	-gamma 5.4 0
 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
-	-log_k	30.18
-	-delta_h -16.260	kcal
-	-gamma	5.0	0
-	-Vm  8.5311  13.0492  .6211  -3.3185  2.7716 # supcrt
+	-log_k 30.18
+	-delta_h -16.26 kcal
+	-gamma 5 0
+	-Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt
 Ba+2 + H2O = BaOH+ + H+
-	-log_k	-13.47
-	-gamma	5.0	0
+	-log_k -13.47
+	-gamma 5 0
 Ba+2 + CO3-2 = BaCO3
-	-log_k	2.71
-	-delta_h 3.55	kcal
-	-analytic	0.113	0.008721
-	-Vm  .2907  -7.0717  8.5295  -2.4867  -.0300 # supcrt
+	-log_k 2.71
+	-delta_h 3.55 kcal
+	-analytic 0.113 0.008721
+	-Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt
 Ba+2 + HCO3- = BaHCO3+
-	-log_k	0.982
+	-log_k 0.982
 	-delta_h 5.56 kcal
-	-analytic	-3.0938	0.013669
+	-analytic -3.0938 0.013669
 Ba+2 + SO4-2 = BaSO4
-	-log_k	2.7
+	-log_k 2.7
 Sr+2 + H2O = SrOH+ + H+
-	-log_k	-13.29
-	-gamma	5.0	0
+	-log_k -13.29
+	-gamma 5 0
 Sr+2 + CO3-2 + H+ = SrHCO3+
-	-log_k	11.509
-	-delta_h 2.489	kcal
-	-analytic	104.6391	0.04739549	-5151.79	-38.92561	563713.9
-	-gamma	5.4	0
+	-log_k 11.509
+	-delta_h 2.489 kcal
+	-analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
 Sr+2 + CO3-2 = SrCO3
-	-log_k	2.81
-	-delta_h 5.22	kcal
-	-analytic	-1.019	0.012826
-	-Vm  -.1787  -8.2177  8.9799  -2.4393  -.0300 # supcrt
+	-log_k 2.81
+	-delta_h 5.22 kcal
+	-analytic -1.019 0.012826
+	-Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt
 Sr+2 + SO4-2 = SrSO4
-	-log_k	2.29
-	-delta_h 2.08	kcal
-	-Vm  6.7910  -.9666  6.1300  -2.7390  -.0010 # celestite solubility
+	-log_k 2.29
+	-delta_h 2.08 kcal
+	-Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility
 Li+ + SO4-2 = LiSO4-
-	-log_k	0.64
-	-gamma	5.0	0
+	-log_k 0.64
+	-gamma 5 0
 Cu+2 + e- = Cu+
-	-log_k	2.72
-	-delta_h 1.65	kcal
-	-gamma	2.5	0
-Cu+ + 2Cl- = CuCl2-
-	-log_k	  5.50
+	-log_k 2.72
+	-delta_h 1.65 kcal
+	-gamma 2.5 0
+Cu+ + 2 Cl- = CuCl2-
+	-log_k 5.5
 	-delta_h -0.42 kcal
-	-gamma  4.0  0
-Cu+ + 3Cl- = CuCl3-2
-	-log_k	  5.70
+	-gamma 4 0
+Cu+ + 3 Cl- = CuCl3-2
+	-log_k 5.7
 	-delta_h 0.26 kcal
-	-gamma  5.0  0.0  
-Cu+2 + CO3-2 = CuCO3 
-	-log_k	  6.73
-Cu+2 + 2CO3-2 = Cu(CO3)2-2 
-	-log_k	  9.83
+	-gamma 5 0
+Cu+2 + CO3-2 = CuCO3
+	-log_k 6.73
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+	-log_k 9.83
 Cu+2 + HCO3- = CuHCO3+
-	-log_k	  2.7	
-Cu+2 + Cl- = CuCl+ 
-	-log_k	  0.43
+	-log_k 2.7
+Cu+2 + Cl- = CuCl+
+	-log_k 0.43
 	-delta_h 8.65 kcal
-	-gamma  4.0  0
-	-Vm   -4.19  0  30.4  0  0  4  0  0  1.94e-2  1
-Cu+2 + 2Cl- = CuCl2 
-	-log_k	  0.16
+	-gamma 4 0
+	-Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1
+Cu+2 + 2 Cl- = CuCl2
+	-log_k 0.16
 	-delta_h 10.56 kcal
-	-Vm   26.8  0  -136
-Cu+2 + 3Cl- = CuCl3-
-	-log_k	  -2.29
+	-Vm 26.8 0 -136
+Cu+2 + 3 Cl- = CuCl3-
+	-log_k -2.29
 	-delta_h 13.69 kcal
-	-gamma  4.0  0
-Cu+2 + 4Cl- = CuCl4-2
-	-log_k	  -4.59
+	-gamma 4 0
+Cu+2 + 4 Cl- = CuCl4-2
+	-log_k -4.59
 	-delta_h 17.78 kcal
-	-gamma  5.0  0
-Cu+2 + F- = CuF+ 
-	-log_k	  1.26
+	-gamma 5 0
+Cu+2 + F- = CuF+
+	-log_k 1.26
 	-delta_h 1.62 kcal
 Cu+2 + H2O = CuOH+ + H+
-	-log_k	-8.0
-	-gamma	4.0	0
+	-log_k -8
+	-gamma 4 0
 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
-	-log_k	-13.68
+	-log_k -13.68
 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
-	-log_k	-26.9
+	-log_k -26.9
 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
-	-log_k	-39.6
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ 
-	-log_k  -10.359
+	-log_k -39.6
+2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+	-log_k -10.359
 	-delta_h 17.539 kcal
-	-analytical  2.497  0.0  -3833.0
+	-analytical 2.497 0 -3833
 Cu+2 + SO4-2 = CuSO4
-	-log_k	2.31
-	-delta_h 1.220	kcal
-	-Vm   5.21  0  -14.6
-Cu+2 + 3HS- = Cu(HS)3-
-	-log_k  25.9
+	-log_k 2.31
+	-delta_h 1.22 kcal
+	-Vm 5.21 0 -14.6
+Cu+2 + 3 HS- = Cu(HS)3-
+	-log_k 25.9
 Zn+2 + H2O = ZnOH+ + H+
-	-log_k	-8.96
+	-log_k -8.96
 	-delta_h 13.4 kcal
 Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
-	-log_k	-16.9
+	-log_k -16.9
 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
-	-log_k	-28.4
+	-log_k -28.4
 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
-	-log_k	-41.2
+	-log_k -41.2
 Zn+2 + Cl- = ZnCl+
-	-log_k	0.43
+	-log_k 0.43
 	-delta_h 7.79 kcal
-	-gamma  4.0  0
-	-Vm   14.8  -3.91  -105.7  -2.62  0.203  4  0  0  -5.05e-2  1
+	-gamma 4 0
+	-Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1
 Zn+2 + 2 Cl- = ZnCl2
-	-log_k	0.45
+	-log_k 0.45
 	-delta_h 8.5 kcal
-	-Vm   -10.1  4.57  241  -2.97  -1e-3
-Zn+2 + 3Cl- = ZnCl3-
-	-log_k	0.5
+	-Vm -10.1 4.57 241 -2.97 -1e-3
+Zn+2 + 3 Cl- = ZnCl3-
+	-log_k 0.5
 	-delta_h 9.56 kcal
-	-gamma  4.0  0
-	-Vm   0.772  15.5  -0.349  -3.42  1.25  0  -7.77  0  0  1 
-Zn+2 + 4Cl- = ZnCl4-2
-	-log_k	0.2
+	-gamma 4 0
+	-Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1
+Zn+2 + 4 Cl- = ZnCl4-2
+	-log_k 0.2
 	-delta_h 10.96 kcal
-	-gamma  5.0  0
-	-Vm   28.42  28  -5.26  -3.94  2.67  0  0  0  4.62e-2 1
-Zn+2 + H2O + Cl- = ZnOHCl + H+ 
-	-log_k  -7.48  
-Zn+2 + 2HS- = Zn(HS)2
-	-log_k  14.94
-Zn+2 + 3HS- = Zn(HS)3-
-	-log_k  16.1  
+	-gamma 5 0
+	-Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1
+Zn+2 + H2O + Cl- = ZnOHCl + H+
+	-log_k -7.48
+Zn+2 + 2 HS- = Zn(HS)2
+	-log_k 14.94
+Zn+2 + 3 HS- = Zn(HS)3-
+	-log_k 16.1
 Zn+2 + CO3-2 = ZnCO3
-	-log_k	5.3
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
-	-log_k	9.63
+	-log_k 5.3
+Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+	-log_k 9.63
 Zn+2 + HCO3- = ZnHCO3+
-	-log_k	2.1
+	-log_k 2.1
 Zn+2 + SO4-2 = ZnSO4
-	-log_k	2.37
+	-log_k 2.37
 	-delta_h 1.36 kcal
-	-Vm   2.51  0  18.8
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
-	-log_k	3.28
-	-Vm    10.9  0  -98.7  0  0  0  24  0 -0.236  1
-Zn+2 + Br- = ZnBr+ 
-	-log_k  -0.58
-Zn+2 + 2Br- = ZnBr2
-	-log_k  -0.98	
-Zn+2 + F- = ZnF+ 
-	-log_k  1.15
+	-Vm 2.51 0 18.8
+Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+	-log_k 3.28
+	-Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1
+Zn+2 + Br- = ZnBr+
+	-log_k -0.58
+Zn+2 + 2 Br- = ZnBr2
+	-log_k -0.98
+Zn+2 + F- = ZnF+
+	-log_k 1.15
 	-delta_h 2.22 kcal
 Cd+2 + H2O = CdOH+ + H+
-	-log_k	-10.08
+	-log_k -10.08
 	-delta_h 13.1 kcal
 Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
-	-log_k	-20.35
+	-log_k -20.35
 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
-	-log_k	-33.3
+	-log_k -33.3
 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
-	-log_k	-47.35
-2Cd+2 + H2O = Cd2OH+3 + H+ 
-	-log_k  -9.39
+	-log_k -47.35
+2 Cd+2 + H2O = Cd2OH+3 + H+
+	-log_k -9.39
 	-delta_h 10.9 kcal
-Cd+2 + H2O + Cl- = CdOHCl + H+ 
-	-log_k  -7.404
+Cd+2 + H2O + Cl- = CdOHCl + H+
+	-log_k -7.404
 	-delta_h 4.355 kcal
 Cd+2 + NO3- = CdNO3+
-	-log_k  0.4
+	-log_k 0.4
 	-delta_h -5.2 kcal
-	-Vm   5.95  0  -1.11  0  2.67  7  0  0  1.53e-2  1
+	-Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1
 Cd+2 + Cl- = CdCl+
-	-log_k	1.98
+	-log_k 1.98
 	-delta_h 0.59 kcal
-	-Vm   5.69  0  -30.2  0  0  6  0  0  0.112  1
+	-Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1
 Cd+2 + 2 Cl- = CdCl2
-	-log_k	2.6
+	-log_k 2.6
 	-delta_h 1.24 kcal
-	-Vm   5.53
+	-Vm 5.53
 Cd+2 + 3 Cl- = CdCl3-
-	-log_k	2.4
+	-log_k 2.4
 	-delta_h 3.9 kcal
-	-Vm   4.6  0  83.9  0  0  0  0  0  0  1
+	-Vm 4.6 0 83.9 0 0 0 0 0 0 1
 Cd+2 + CO3-2 = CdCO3
-	-log_k	2.9
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
-	-log_k	6.4
+	-log_k 2.9
+Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+	-log_k 6.4
 Cd+2 + HCO3- = CdHCO3+
-	-log_k	1.5
+	-log_k 1.5
 Cd+2 + SO4-2 = CdSO4
-	-log_k	2.46
+	-log_k 2.46
 	-delta_h 1.08 kcal
-	-Vm   10.4  0  57.9
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
-	-log_k	3.5
-	-Vm   -6.29  0  -93  0  9.5  7  0  0  0  1
-Cd+2 + Br- = CdBr+ 
-	-log_k  2.17
+	-Vm 10.4 0 57.9
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+	-log_k 3.5
+	-Vm -6.29 0 -93 0 9.5 7 0 0 0 1
+Cd+2 + Br- = CdBr+
+	-log_k 2.17
 	-delta_h -0.81 kcal
-Cd+2 + 2Br- = CdBr2
-	-log_k  2.9
-Cd+2 + F- = CdF+ 
-	-log_k  1.1
-Cd+2 + 2F- = CdF2
-	-log_k  1.5  
-Cd+2 + HS- = CdHS+ 
-	-log_k  10.17
-Cd+2 + 2HS- = Cd(HS)2 
-	-log_k  16.53
-Cd+2 + 3HS- = Cd(HS)3-
-	-log_k  18.71
-Cd+2 + 4HS- = Cd(HS)4-2
-	-log_k  20.9  
+Cd+2 + 2 Br- = CdBr2
+	-log_k 2.9
+Cd+2 + F- = CdF+
+	-log_k 1.1
+Cd+2 + 2 F- = CdF2
+	-log_k 1.5
+Cd+2 + HS- = CdHS+
+	-log_k 10.17
+Cd+2 + 2 HS- = Cd(HS)2
+	-log_k 16.53
+Cd+2 + 3 HS- = Cd(HS)3-
+	-log_k 18.71
+Cd+2 + 4 HS- = Cd(HS)4-2
+	-log_k 20.9
 Pb+2 + H2O = PbOH+ + H+
-	-log_k	-7.71
+	-log_k -7.71
 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
-	-log_k	-17.12
+	-log_k -17.12
 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
-	-log_k	-28.06
+	-log_k -28.06
 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
-	-log_k	-39.7
+	-log_k -39.7
 2 Pb+2 + H2O = Pb2OH+3 + H+
-	-log_k	-6.36
+	-log_k -6.36
 Pb+2 + Cl- = PbCl+
-	-log_k	1.6
+	-log_k 1.6
 	-delta_h 4.38 kcal
-	-Vm  2.8934  -.7165  6.0316  -2.7494  .1281 6 # supcrt
+	-Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt
 Pb+2 + 2 Cl- = PbCl2
-	-log_k	1.8
+	-log_k 1.8
 	-delta_h 1.08 kcal
-	-Vm  6.5402  8.1879  2.5318  -3.1175  -.0300 # supcrt
+	-Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt
 Pb+2 + 3 Cl- = PbCl3-
-	-log_k	1.7
+	-log_k 1.7
 	-delta_h 2.17 kcal
-	-Vm  11.0396  19.1743  -1.7863  -3.5717  .7356 # supcrt
+	-Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt
 Pb+2 + 4 Cl- = PbCl4-2
-	-log_k	1.38
+	-log_k 1.38
 	-delta_h 3.53 kcal
-	-Vm  16.4150  32.2997  -6.9452  -4.1143  2.3118 # supcrt
+	-Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt
 Pb+2 + CO3-2 = PbCO3
-	-log_k	7.24
+	-log_k 7.24
 Pb+2 + 2 CO3-2 = Pb(CO3)2-2
-	-log_k	10.64
+	-log_k 10.64
 Pb+2 + HCO3- = PbHCO3+
-	-log_k	2.9
+	-log_k 2.9
 Pb+2 + SO4-2 = PbSO4
-	-log_k	2.75
+	-log_k 2.75
 Pb+2 + 2 SO4-2 = Pb(SO4)2-2
-	-log_k	3.47
-Pb+2 + 2HS- = Pb(HS)2 
-	-log_k  15.27
-Pb+2 + 3HS- = Pb(HS)3-
-	-log_k  16.57
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ 
-	-log_k  -23.88
-	-delta_h 26.5 kcal  
+	-log_k 3.47
+Pb+2 + 2 HS- = Pb(HS)2
+	-log_k 15.27
+Pb+2 + 3 HS- = Pb(HS)3-
+	-log_k 16.57
+3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+	-log_k -23.88
+	-delta_h 26.5 kcal
 Pb+2 + NO3- = PbNO3+
-	-log_k	1.17
-Pb+2 + Br- = PbBr+ 
-	-log_k  1.77
+	-log_k 1.17
+Pb+2 + Br- = PbBr+
+	-log_k 1.77
 	-delta_h 2.88 kcal
-Pb+2 + 2Br- = PbBr2 
-	-log_k  1.44	
-Pb+2 + F- = PbF+ 
-	-log_k  1.25
-Pb+2 + 2F- = PbF2
-	-log_k  2.56
-Pb+2 + 3F- = PbF3-
-	-log_k  3.42
-Pb+2 + 4F- = PbF4-2
-	-log_k  3.1  
+Pb+2 + 2 Br- = PbBr2
+	-log_k 1.44
+Pb+2 + F- = PbF+
+	-log_k 1.25
+Pb+2 + 2 F- = PbF2
+	-log_k 2.56
+Pb+2 + 3 F- = PbF3-
+	-log_k 3.42
+Pb+2 + 4 F- = PbF4-2
+	-log_k 3.1
 
 PHASES
 Calcite
 	CaCO3 = CO3-2 + Ca+2
-	-log_k	-8.48
+	-log_k -8.48
 	-delta_h -2.297 kcal
-	-analytic 17.118  -0.046528  -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
+	-analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
 	-Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
 Aragonite
 	CaCO3 = CO3-2 + Ca+2
-	-log_k	-8.336
+	-log_k -8.336
 	-delta_h -2.589 kcal
-	-analytic	-171.9773	-0.077993	2903.293	71.595
+	-analytic -171.9773 -0.077993 2903.293 71.595
 	-Vm 34.04
 Dolomite
 	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
-	-log_k	-17.09
-	-delta_h  -9.436 kcal
-	-analytic  31.283  -0.0898  -6438 #  25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275.
+	-log_k -17.09
+	-delta_h -9.436 kcal
+	-analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275
 	-Vm 64.5
 Siderite
 	FeCO3 = Fe+2 + CO3-2
-	-log_k	-10.89
-	-delta_h  -2.480 kcal
+	-log_k -10.89
+	-delta_h -2.48 kcal
 	-Vm 29.2
 Rhodochrosite
 	MnCO3 = Mn+2 + CO3-2
-	-log_k	-11.13
-	-delta_h  -1.430 kcal
+	-log_k -11.13
+	-delta_h -1.43 kcal
 	-Vm 31.1
 Strontianite
 	SrCO3 = Sr+2 + CO3-2
-	-log_k	-9.271
-	-delta_h -0.400 kcal
-	-analytic	155.0305	0.0	-7239.594	-56.58638
+	-log_k -9.271
+	-delta_h -0.4 kcal
+	-analytic 155.0305 0 -7239.594 -56.58638
 	-Vm 39.69
 Witherite
 	BaCO3 = Ba+2 + CO3-2
-	-log_k	-8.562
-	-delta_h  0.703 kcal
-	-analytic	607.642	0.121098	-20011.25	-236.4948
+	-log_k -8.562
+	-delta_h 0.703 kcal
+	-analytic 607.642 0.121098 -20011.25 -236.4948
 	-Vm 46
 Gypsum
 	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
-	-log_k	-4.58
+	-log_k -4.58
 	-delta_h -0.109 kcal
-	-analytic	68.2401	0.0	-3221.51	-25.0627
-	-analytical_expression  93.7  5.99E-03  -4e3  -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
-	-Vm 73.9 # 172.18 / 2.33  (Vm H2O = 13.9 cm3/mol)
+	-analytic 68.2401 0 -3221.51 -25.0627
+	-analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
+	-Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol)
 Anhydrite
 	CaSO4 = Ca+2 + SO4-2
-	-log_k	-4.36
-	-delta_h -1.710 kcal
-	-analytic  84.90  0  -3135.12  -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
+	-log_k -4.36
+	-delta_h -1.71 kcal
+	-analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323
 	-Vm 46.1 # 136.14 / 2.95
 Celestite
 	SrSO4 = Sr+2 + SO4-2
-	-log_k	-6.63
+	-log_k -6.63
 	-delta_h -4.037 kcal
-#	-analytic	-14805.9622	-2.4660924	756968.533	5436.3588	-40553604.0
-	-analytic  -7.14 6.11e-3  75 0 0 -1.79e-5  # Howell et al., 1992, JCED 37, 464.
+#	  -analytic	  -14805.9622	-2.4660924	 756968.533	 5436.3588	  -40553604.0
+	-analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464
 	-Vm 46.4
 Barite
 	BaSO4 = Ba+2 + SO4-2
-	-log_k	-9.97
-	-delta_h  6.35 kcal
-	-analytical_expression  -282.43  -8.972e-2  5822  113.08 # Blount 1977; Templeton, 1960
+	-log_k -9.97
+	-delta_h 6.35 kcal
+	-analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960
 	-Vm 52.9
 Arcanite
-	K2SO4  =  SO4-2 + 2 K+
-	log_k   -1.776; -delta_h 5 kcal
-	-analytical_expression   674.142  0.30423  -18037  -280.236  0  -1.44055e-4 # ref. 3
+	K2SO4 = SO4-2 + 2 K+
+	log_k -1.776; -delta_h 5 kcal
+	-analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3
 	# Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
 	-Vm 65.5
 Mirabilite
-	Na2SO4:10H2O  =  SO4-2 + 2 Na+ + 10 H2O
-	-analytical_expression  -301.9326  -0.16232  0  141.078 # ref. 3
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	-analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3
 	Vm 216
 Thenardite
 	Na2SO4 = 2 Na+ + SO4-2
-	-analytical_expression  57.185  8.6024e-2  0  -30.8341  0  -7.6905e-5 # ref. 3
+	-analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3
 	-Vm 52.9
 Epsomite
-        MgSO4:7H2O  =  Mg+2 + SO4-2 + 7 H2O
-        log_k      -1.74; -delta_h 10.57 kJ
-        -analytical_expression  -3.59  6.21e-3
-        Vm 147
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+	log_k -1.74; -delta_h 10.57 kJ
+	-analytical_expression -3.59 6.21e-3
+	Vm 147
 Hexahydrite
-        MgSO4:6H2O  =  Mg+2 + SO4-2 + 6 H2O
-        log_k      -1.57; -delta_h 2.35 kJ
-        -analytical_expression  -1.978  1.38e-3
-        Vm 132
+	MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
+	log_k -1.57; -delta_h 2.35 kJ
+	-analytical_expression -1.978 1.38e-3
+	Vm 132
 Kieserite
-        MgSO4:H2O  =  Mg+2 + SO4-2 + H2O
-        log_k      -1.16; -delta_h 9.22 kJ
-        -analytical_expression  29.485  -5.07e-2  0  -2.662  -7.95e5
-        Vm 53.8
+	MgSO4:H2O = Mg+2 + SO4-2 + H2O
+	log_k -1.16; -delta_h 9.22 kJ
+	-analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5
+	Vm 53.8
 Hydroxyapatite
 	Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
-	-log_k	 -3.421
+	-log_k -3.421
 	-delta_h -36.155 kcal
 	-Vm 128.9
 Fluorite
 	CaF2 = Ca+2 + 2 F-
-	-log_k	-10.6
-	-delta_h   4.69 kcal
-	-analytic	66.348	0.0	-4298.2	-25.271
+	-log_k -10.6
+	-delta_h 4.69 kcal
+	-analytic 66.348 0 -4298.2 -25.271
 	-Vm 15.7
 SiO2(a)
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-2.71
-	-delta_h  3.340 kcal
-	-analytic	-0.26	0.0	-731.0
+	-log_k -2.71
+	-delta_h 3.34 kcal
+	-analytic -0.26 0 -731
 Chalcedony
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-3.55
-	-delta_h  4.720 kcal
-	-analytic	-0.09	0.0	-1032.0
+	-log_k -3.55
+	-delta_h 4.72 kcal
+	-analytic -0.09 0 -1032
 	-Vm 23.1
 Quartz
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-3.98
-	-delta_h  5.990 kcal
-	-analytic	0.41	0.0	-1309.0
+	-log_k -3.98
+	-delta_h 5.99 kcal
+	-analytic 0.41 0 -1309
 	-Vm 22.67
 Gibbsite
 	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
-	-log_k	  8.11
-	-delta_h -22.800 kcal
+	-log_k 8.11
+	-delta_h -22.8 kcal
 	-Vm 32.22
 Al(OH)3(a)
 	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
-	-log_k	 10.8
-	-delta_h -26.500 kcal
+	-log_k 10.8
+	-delta_h -26.5 kcal
 Kaolinite
 	Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
-	-log_k	  7.435
-	-delta_h -35.300 kcal
+	-log_k 7.435
+	-delta_h -35.3 kcal
 	-Vm 99.35
 Albite
 	NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
-	-log_k	-18.002
+	-log_k -18.002
 	-delta_h 25.896 kcal
 	-Vm 101.31
 Anorthite
 	CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
-	-log_k	-19.714
-	-delta_h 11.580 kcal
+	-log_k -19.714
+	-delta_h 11.58 kcal
 	-Vm 105.05
 K-feldspar
 	KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
-	-log_k	-20.573
-	-delta_h 30.820	kcal
+	-log_k -20.573
+	-delta_h 30.82 kcal
 	-Vm 108.15
 K-mica
 	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
-	-log_k	12.703
+	-log_k 12.703
 	-delta_h -59.376 kcal
 Chlorite(14A)
-	Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
-	-log_k	68.38
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+	-log_k 68.38
 	-delta_h -151.494 kcal
 Ca-Montmorillonite
-	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
-	-log_k	-45.027
-	-delta_h 58.373	kcal
+	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+	-log_k -45.027
+	-delta_h 58.373 kcal
 	-Vm 156.16
 Talc
 	Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
-	-log_k	21.399
+	-log_k 21.399
 	-delta_h -46.352 kcal
 	-Vm 68.34
 Illite
-	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
-	-log_k	-40.267
+	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+	-log_k -40.267
 	-delta_h 54.684 kcal
 	-Vm 141.48
 Chrysotile
 	Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
-	-log_k	32.2
-	-delta_h -46.800 kcal
-	-analytic	13.248	0.0	10217.1	-6.1894
-	-Vm  106.5808  # 277.11/2.60
+	-log_k 32.2
+	-delta_h -46.8 kcal
+	-analytic 13.248 0 10217.1 -6.1894
+	-Vm 106.5808 # 277.11/2.60
 Sepiolite
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
-	-log_k	15.760
-	-delta_h -10.700 kcal
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 15.76
+	-delta_h -10.7 kcal
 	-Vm 143.765
 Sepiolite(d)
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
-	-log_k	18.66
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 18.66
 Hematite
 	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
-	-log_k	-4.008
+	-log_k -4.008
 	-delta_h -30.845 kcal
 	-Vm 30.39
 Goethite
 	FeOOH + 3 H+ = Fe+3 + 2 H2O
-	-log_k	-1.0
-	-delta_h	 -14.48 kcal
+	-log_k -1
+	-delta_h -14.48 kcal
 	-Vm 20.84
 Fe(OH)3(a)
 	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
-	-log_k	4.891
+	-log_k 4.891
 Pyrite
 	FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
-	-log_k	-18.479
-	-delta_h 11.300 kcal
+	-log_k -18.479
+	-delta_h 11.3 kcal
 	-Vm 23.48
 FeS(ppt)
 	FeS + H+ = Fe+2 + HS-
-	-log_k	-3.915
+	-log_k -3.915
 Mackinawite
 	FeS + H+ = Fe+2 + HS-
-	-log_k	-4.648
+	-log_k -4.648
 	-Vm 20.45
 Sulfur
-	S + 2H+ + 2e- = H2S
-	-log_k	4.882
+	S + 2 H+ + 2 e- = H2S
+	-log_k 4.882
 	-delta_h -9.5 kcal
 Vivianite
 	Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
-	-log_k	-36.0
-Pyrolusite	# H2O added for surface calc's
+	-log_k -36
+Pyrolusite # H2O added for surface calc's
 	MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
-	-log_k	41.38
-	-delta_h -65.110 kcal
+	-log_k 41.38
+	-delta_h -65.11 kcal
 Hausmannite
 	Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
-	-log_k	61.03
-	-delta_h -100.640 kcal
+	-log_k 61.03
+	-delta_h -100.64 kcal
 Manganite
 	MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
-	-log_k	25.34
+	-log_k 25.34
 Pyrochroite
 	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
-	-log_k	15.2
+	-log_k 15.2
 Halite
-	NaCl  =  Cl- + Na+
-	log_k	  1.570
-	-delta_h  1.37
+	NaCl = Cl- + Na+
+	log_k 1.57
+	-delta_h 1.37
 	#-analytic -713.4616   -.1201241   37302.21    262.4583    -2106915.
 	-Vm 27.1
 Sylvite
-	KCl  = K+ + Cl-
-	log_k	   0.900
-	-delta_h  8.5
-	# -analytic     3.984     0.0	 -919.55
+	KCl = K+ + Cl-
+	log_k 0.9
+	-delta_h 8.5
+	# -analytic	3.984	0.0   -919.55
 	Vm 37.5
 # Gases...
 CO2(g)
 	CO2 = CO2
-	-log_k	-1.468
+	-log_k -1.468
 	-delta_h -4.776 kcal
-	-analytic   10.5624  -2.3547e-2  -3972.8  0  5.8746e5  1.9194e-5
-	-T_c  304.2 # critical T, K
-	-P_c   72.86 # critical P, atm
+	-analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
+	-T_c 304.2 # critical T, K
+	-P_c 72.86 # critical P, atm
 	-Omega 0.225 # acentric factor
 H2O(g)
 	H2O = H2O
-	-log_k  1.506; delta_h -44.03 kJ
-	-T_c  647.3; -P_c  217.60; -Omega 0.344
-	-analytic   -16.5066 -2.0013E-3  2710.7  3.7646  0 2.24E-6
+	-log_k 1.506; delta_h -44.03 kJ
+	-T_c 647.3; -P_c 217.6; -Omega 0.344
+	-analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
 O2(g)
 	O2 = O2
-	-log_k   -2.8983
-	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
-	-T_c  154.6; -P_c   49.80; -Omega 0.021
+	-log_k -2.8983
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
 H2(g)
 	H2 = H2
-	-log_k	   -3.1050
-	-delta_h -4.184  kJ
-	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
-	-T_c  33.2; -P_c   12.80; -Omega -0.225
+	-log_k -3.105
+	-delta_h -4.184 kJ
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
 N2(g)
 	N2 = N2
-	-log_k		 -3.1864
-	-analytic -58.453 1.818e-3  3199  17.909 -27460
-	-T_c  126.2; -P_c   33.50; -Omega 0.039
+	-log_k -3.1864
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	-T_c 126.2; -P_c 33.5; -Omega 0.039
 H2S(g)
-	H2S  =  H+ + HS-
-	log_k	   -7.93
-	-delta_h   9.1
-	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
-	-T_c  373.2; -P_c  88.20; -Omega 0.1
+	H2S = H+ + HS-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
 CH4(g)
 	CH4 = CH4
 	-log_k -2.8
-	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
-	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
 Amm(g)
 	Amm = Amm
-	-log_k	   1.7966
-	-analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
-	-T_c  405.6; -P_c   111.3; -Omega 0.25
+#NH3(g)
+#	NH3 = NH3	
+	-log_k 1.7966
+	-analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192
+	-T_c 405.6; -P_c 111.3; -Omega 0.25
 # redox-uncoupled gases
 Oxg(g)
 	Oxg = Oxg
-	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
-	-T_c  154.6 ; -P_c   49.80 ; -Omega 0.021
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
 Hdg(g)
 	Hdg = Hdg
-	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
-	-T_c  33.2 ; -P_c   12.80 ; -Omega -0.225
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
 Ntg(g)
 	Ntg = Ntg
-	-analytic -58.453 1.81800e-3  3199  17.909 -27460
-	T_c  126.2 ; -P_c   33.50 ; -Omega 0.039
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	T_c 126.2; -P_c 33.5; -Omega 0.039
 Mtg(g)
 	Mtg = Mtg
 	-log_k -2.8
-	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
-	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
 H2Sg(g)
-	H2Sg  =  H+ + HSg-
-	log_k	   -7.93
-	-delta_h   9.1
-	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
-	-T_c  373.2 ; -P_c  88.20 ; -Omega 0.1
+	H2Sg = H+ + HSg-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
 Melanterite
 	FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
-	-log_k	-2.209
-	-delta_h 4.910	kcal
-	-analytic	1.447	-0.004153	0.0	0.0	-214949.0
+	-log_k -2.209
+	-delta_h 4.91 kcal
+	-analytic 1.447 -0.004153 0 0 -214949
 Alunite
-	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
-	-log_k	-1.4
-	-delta_h -50.250 kcal
+	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+	-log_k -1.4
+	-delta_h -50.25 kcal
 Jarosite-K
 	KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
-	-log_k	-9.21
-	-delta_h -31.280 kcal
+	-log_k -9.21
+	-delta_h -31.28 kcal
 Zn(OH)2(e)
 	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
-	-log_k	11.5
+	-log_k 11.5
 Smithsonite
 	ZnCO3 = Zn+2 + CO3-2
-	-log_k	-10.0
-	-delta_h -4.36	kcal
+	-log_k -10
+	-delta_h -4.36 kcal
 Sphalerite
 	ZnS + H+ = Zn+2 + HS-
-	-log_k	-11.618
-	-delta_h 8.250	kcal
-Willemite	289
-	Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
-	-log_k	15.33
-	-delta_h -33.37	kcal
+	-log_k -11.618
+	-delta_h 8.25 kcal
+Willemite 289
+	Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+	-log_k 15.33
+	-delta_h -33.37 kcal
 Cd(OH)2
 	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
-	-log_k	13.65
-Otavite	315
+	-log_k 13.65
+Otavite 315
 	CdCO3 = Cd+2 + CO3-2
-	-log_k	-12.1
-	-delta_h -0.019	kcal
-CdSiO3	328
-	CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
-	-log_k	9.06
-	-delta_h -16.63	kcal
-CdSO4	329
+	-log_k -12.1
+	-delta_h -0.019 kcal
+CdSiO3 328
+	CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+	-log_k 9.06
+	-delta_h -16.63 kcal
+CdSO4 329
 	CdSO4 = Cd+2 + SO4-2
-	-log_k	-0.1
-	-delta_h -14.74	kcal
-Cerussite	365
+	-log_k -0.1
+	-delta_h -14.74 kcal
+Cerussite 365
 	PbCO3 = Pb+2 + CO3-2
-	-log_k	-13.13
-	-delta_h 4.86	kcal
-Anglesite	384
+	-log_k -13.13
+	-delta_h 4.86 kcal
+Anglesite 384
 	PbSO4 = Pb+2 + SO4-2
-	-log_k	-7.79
-	-delta_h 2.15	kcal
-Pb(OH)2	389
-	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
-	-log_k	8.15
-	-delta_h -13.99	kcal
+	-log_k -7.79
+	-delta_h 2.15 kcal
+Pb(OH)2 389
+	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+	-log_k 8.15
+	-delta_h -13.99 kcal
 
 EXCHANGE_MASTER_SPECIES
-	X	X-
+	X X-
 EXCHANGE_SPECIES
 	X- = X-
-	-log_k	0.0
+	-log_k 0
 
 	Na+ + X- = NaX
-	-log_k	0.0
-	-gamma	4.08 0.082
+	-log_k 0
+	-gamma 4.08 0.082
 
 	K+ + X- = KX
-	-log_k	0.7
-	-gamma	3.5	0.015
-	-delta_h  -4.3	# Jardine & Sparks, 1984
+	-log_k 0.7
+	-gamma 3.5 0.015
+	-delta_h -4.3 # Jardine & Sparks, 1984
 
 	Li+ + X- = LiX
-	-log_k	-0.08
-	-gamma	6.0	0
-	-delta_h  1.4	# Merriam & Thomas, 1956
+	-log_k -0.08
+	-gamma 6 0
+	-delta_h 1.4 # Merriam & Thomas, 1956
 
 # !!!!!
-#	H+ + X- = HX
-#	-log_k	1.0
-#	-gamma	9.0	0
+#	  H+ + X- = HX
+#	  -log_k  1.0
+#	  -gamma  9.0	0
 
 	AmmH+ + X- = AmmHX
-	-log_k	0.6
-	-gamma	2.5	0
-	-delta_h  -2.4	# Laudelout et al., 1968
+#	NH4+ + X- = NH4X
+	-log_k 0.6
+	-gamma 2.5 0
+	-delta_h -2.4 # Laudelout et al., 1968
 
-	Ca+2 + 2X- = CaX2
-	-log_k	0.8
-	-gamma	5.0	0.165
-	-delta_h  7.2    # Van Bladel & Gheyl, 1980
+	Ca+2 + 2 X- = CaX2
+	-log_k 0.8
+	-gamma 5 0.165
+	-delta_h 7.2 # Van Bladel & Gheyl, 1980
 
-	Mg+2 + 2X- = MgX2
-	-log_k	0.6
-	-gamma	5.5	0.2
-	-delta_h  7.4	# Laudelout et al., 1968
+	Mg+2 + 2 X- = MgX2
+	-log_k 0.6
+	-gamma 5.5 0.2
+	-delta_h 7.4 # Laudelout et al., 1968
 
-	Sr+2 + 2X- = SrX2
-	-log_k	0.91
-	-gamma	5.26	0.121
-	-delta_h  5.5	# Laudelout et al., 1968
+	Sr+2 + 2 X- = SrX2
+	-log_k 0.91
+	-gamma 5.26 0.121
+	-delta_h 5.5 # Laudelout et al., 1968
 
-	Ba+2 + 2X- = BaX2
-	-log_k	0.91
-	-gamma	4.0  0.153
-	-delta_h  4.5	# Laudelout et al., 1968
+	Ba+2 + 2 X- = BaX2
+	-log_k 0.91
+	-gamma 4 0.153
+	-delta_h 4.5 # Laudelout et al., 1968
 
-	Mn+2 + 2X- = MnX2
-	-log_k	0.52
-	-gamma	6.0	0
+	Mn+2 + 2 X- = MnX2
+	-log_k 0.52
+	-gamma 6 0
 
-	Fe+2 + 2X- = FeX2
-	-log_k	0.44
-	-gamma	6.0	0
+	Fe+2 + 2 X- = FeX2
+	-log_k 0.44
+	-gamma 6 0
 
-	Cu+2 + 2X- = CuX2
-	-log_k	0.6
-	-gamma	6.0	0
+	Cu+2 + 2 X- = CuX2
+	-log_k 0.6
+	-gamma 6 0
 
-	Zn+2 + 2X- = ZnX2
-	-log_k	0.8
-	-gamma	5.0	0
+	Zn+2 + 2 X- = ZnX2
+	-log_k 0.8
+	-gamma 5 0
 
-	Cd+2 + 2X- = CdX2
-	-log_k	0.8
-	-gamma 0.0  0
+	Cd+2 + 2 X- = CdX2
+	-log_k 0.8
+	-gamma 0 0
 
-	Pb+2 + 2X- = PbX2
-	-log_k	1.05
-	-gamma 0.0  0
+	Pb+2 + 2 X- = PbX2
+	-log_k 1.05
+	-gamma 0 0
 
-	Al+3 + 3X- = AlX3
-	-log_k	0.41
-	-gamma	9.0	0
+	Al+3 + 3 X- = AlX3
+	-log_k 0.41
+	-gamma 9 0
 
-	AlOH+2 + 2X- = AlOHX2
-	-log_k	0.89
-	-gamma	0.0	0
+	AlOH+2 + 2 X- = AlOHX2
+	-log_k 0.89
+	-gamma 0 0
 
 SURFACE_MASTER_SPECIES
-	Hfo_s	Hfo_sOH
-	Hfo_w	Hfo_wOH
+	Hfo_s Hfo_sOH
+	Hfo_w Hfo_wOH
 SURFACE_SPECIES
 # All surface data from
 # Dzombak and Morel, 1990
@@ -1410,24 +1422,24 @@ SURFACE_SPECIES
 # strong binding site--Hfo_s,
 
 	Hfo_sOH = Hfo_sOH
-	-log_k	0
+	-log_k 0
 
-	Hfo_sOH	+ H+ = Hfo_sOH2+
-	-log_k	7.29	# = pKa1,int
+	Hfo_sOH + H+ = Hfo_sOH2+
+	-log_k 7.29 # = pKa1,int
 
 	Hfo_sOH = Hfo_sO- + H+
-	-log_k	-8.93	# = -pKa2,int
+	-log_k -8.93 # = -pKa2,int
 
 # weak binding site--Hfo_w
 
 	Hfo_wOH = Hfo_wOH
-	-log_k	0
+	-log_k 0
 
-	Hfo_wOH	+ H+ = Hfo_wOH2+
-	-log_k	7.29	# = pKa1,int
+	Hfo_wOH + H+ = Hfo_wOH2+
+	-log_k 7.29 # = pKa1,int
 
 	Hfo_wOH = Hfo_wO- + H+
-	-log_k	-8.93	# = -pKa2,int
+	-log_k -8.93 # = -pKa2,int
 ###############################################
 # CATIONS #
 ###############################################
@@ -1436,52 +1448,52 @@ SURFACE_SPECIES
 #
 # Calcium
 	Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-	-log_k	4.97
+	-log_k 4.97
 
 	Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
 	-log_k -5.85
 # Strontium
 	Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-	-log_k	5.01
+	-log_k 5.01
 
 	Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
 	-log_k -6.58
 
-	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
+	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
 	-log_k -17.6
 # Barium
 	Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-	-log_k	5.46
+	-log_k 5.46
 
 	Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-	-log_k	-7.2	# table 10.5
+	-log_k -7.2 # table 10.5
 #
 # Cations from table 10.2
 #
 # Cadmium
 	Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-	-log_k	0.47
+	-log_k 0.47
 
 	Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-	-log_k	-2.91
+	-log_k -2.91
 # Zinc
 	Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-	-log_k	0.99
+	-log_k 0.99
 
 	Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-	-log_k	-1.99
+	-log_k -1.99
 # Copper
 	Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-	-log_k	2.89
+	-log_k 2.89
 
 	Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-	-log_k	0.6	# table 10.5
+	-log_k 0.6 # table 10.5
 # Lead
 	Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-	-log_k	4.65
+	-log_k 4.65
 
 	Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-	-log_k	0.3	# table 10.5
+	-log_k 0.3 # table 10.5
 #
 # Derived constants table 10.5
 #
@@ -1490,18 +1502,18 @@ SURFACE_SPECIES
 	-log_k -4.6
 # Manganese
 	Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-	-log_k	-0.4	# table 10.5
+	-log_k -0.4 # table 10.5
 
 	Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-	-log_k -3.5	# table 10.5
+	-log_k -3.5 # table 10.5
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
 	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-	-log_k	-0.95
+	-log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
 	Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
 	-log_k -2.98
 
-	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
+	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
 	-log_k -11.55
 ###############################################
 # ANIONS #
@@ -1510,51 +1522,74 @@ SURFACE_SPECIES
 # Anions from table 10.6
 #
 # Phosphate
-	Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-	-log_k	31.29
+	Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+	-log_k 31.29
 
-	Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-	-log_k	25.39
+	Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+	-log_k 25.39
 
 	Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-	-log_k	17.72
+	-log_k 17.72
 #
 # Anions from table 10.7
 #
 # Borate
 	Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-	-log_k	0.62
+	-log_k 0.62
 #
 # Anions from table 10.8
 #
 # Sulfate
 	Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-	-log_k	7.78
+	-log_k 7.78
 
 	Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-	-log_k	0.79
+	-log_k 0.79
 #
 # Derived constants table 10.10
 #
 	Hfo_wOH + F- + H+ = Hfo_wF + H2O
-	-log_k	8.7
+	-log_k 8.7
 
 	Hfo_wOH + F- = Hfo_wOHF-
-	-log_k	1.6
+	-log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for D&M model
 #
 	Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-	-log_k	12.56
+	-log_k 12.56
 
-	Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-	-log_k	20.62
+	Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+	-log_k 20.62
 #
 # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422.
 #
-	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O        ; log_K   4.28 
-	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O  ; log_K  -3.22 
-	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O	; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
+
+MEAN_GAMMAS
+CaCl2    Ca+2  1  Cl-    2
+CaSO4    Ca+2  1  SO4-2  1
+CaCO3    Ca+2  1  CO3-2  1
+Ca(OH)2  Ca+2  1  OH-    2
+MgCl2    Mg+2  1  Cl-    2
+MgSO4    Mg+2  1  SO4-2  1
+MgCO3    Mg+2  1  CO3-2  1
+Mg(OH)2  Mg+2  1  OH-    2
+NaCl     Na+   1  Cl-    1
+Na2SO4   Na+   2  SO4-2  1
+NaHCO3   Na+   1  HCO3-  1
+Na2CO3   Na+   2  CO3-2  1
+NaOH     Na+   1  OH-    1
+KCl      K+    1  Cl-    1
+K2SO4    K+    2  SO4-2  1
+HCO3     K+    1  HCO3-  1
+K2CO3    K+    2  CO3-2  1
+KOH      K+    1  OH-    1
+HCl      H+    1  Cl-    1
+H2SO4    H+    2  SO4-2  1
+HBr      H+    1  Br-    1
 
 RATES
 
@@ -1564,25 +1599,25 @@ RATES
 #
 #######
 # Example of quartz kinetic rates block:
-#	KINETICS
-#	Quartz
-#		-m0  158.8	    # 90 % Qu
-#		-parms 0.146  1.5
-#		-step 3.1536e8 in 10
-#		-tol 1e-12
+#	  KINETICS
+#	  Quartz
+#		  -m0  158.8	 # 90 % Qu
+#		  -parms 0.146  1.5
+#		  -step 3.1536e8 in 10
+#		  -tol 1e-12
 
 Quartz
   -start
-1  REM  Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2  REM  k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3  REM  sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4  REM  PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5  REM  PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
 
 10 dif_temp = 1/TK - 1/298
 20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 -  SR("Quartz"))
-#			 Integrate...
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
+#			  Integrate...
 50 SAVE moles * TIME
   -end
 
@@ -1604,60 +1639,60 @@ Quartz
 # GFW Kspar 0.278 kg/mol
 #
 # Moles of Kspar per liter pore space calculation:
-#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
-#   Mass of Kspar per liter pore space 6.07x0.1           = 0.607    kg Kspar/L pore space
-#   Moles of Kspar per liter pore space 0.607/0.278       = 2.18     mol Kspar/L pore space
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Kspar per liter pore space 6.07x0.1	   = 0.607    kg Kspar/L pore space
+#   Moles of Kspar per liter pore space 0.607/0.278	  = 2.18	mol Kspar/L pore space
 #
 # Specific area calculation:
-#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Kspar/sphere
-#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Kspar/sphere
-#   Moles of Kspar in sphere 1.36e-9/0.278                = 4.90e-9  mol Kspar/sphere
-#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Kspar/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Kspar/sphere
+#   Moles of Kspar in sphere 1.36e-9/0.278		= 4.90e-9  mol Kspar/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
 #   Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
 #
 #
 # Example of KINETICS data block for K-feldspar rate:
-#       KINETICS 1
-#       K-feldspar
-#               -m0 2.18            # 10% Kspar, 0.1 mm cubes
-#               -m  2.18            # Moles per L pore space
-#               -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
-#               -time 1.5 year in 40
+#	  KINETICS 1
+#	  K-feldspar
+#		  -m0 2.18	    # 10% Kspar, 0.1 mm cubes
+#		  -m  2.18	    # Moles per L pore space
+#		  -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
 
 K-feldspar
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM K-Feldspar parameters
-10  DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -1676,63 +1711,63 @@ K-feldspar
 # p. 162-163 and 395-399.
 #
 # Example of KINETICS data block for Albite rate:
-#       KINETICS 1
-#       Albite
-#               -m0 0.46            # 2% Albite, 0.1 mm cubes
-#               -m  0.46            # Moles per L pore space
-#               -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
-#               -time 1.5 year in 40
+#	  KINETICS 1
+#	  Albite
+#		  -m0 0.46	    # 2% Albite, 0.1 mm cubes
+#		  -m  0.46	    # Moles per L pore space
+#		  -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
 #
 # Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
 # Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
 # GFW Albite 0.262 kg/mol
 #
 # Moles of Albite per liter pore space calculation:
-#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
-#   Mass of Albite per liter pore space 6.07x0.02         = 0.121    kg Albite/L pore space
-#   Moles of Albite per liter pore space 0.607/0.262      = 0.46     mol Albite/L pore space
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Albite per liter pore space 6.07x0.02	 = 0.121    kg Albite/L pore space
+#   Moles of Albite per liter pore space 0.607/0.262	 = 0.46	mol Albite/L pore space
 #
 # Specific area calculation:
-#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Albite/sphere
-#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Albite/sphere
-#   Moles of Albite in sphere 1.36e-9/0.262               = 5.20e-9  mol Albite/sphere
-#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
-#   Specific area of Albite in sphere 3.14e-8/5.20e-9     = 6.04 m^2/mol Albite
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Albite/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Albite/sphere
+#   Moles of Albite in sphere 1.36e-9/0.262		  = 5.20e-9  mol Albite/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
+#   Specific area of Albite in sphere 3.14e-8/5.20e-9	= 6.04 m^2/mol Albite
 
 Albite
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Albite m^2/mol Albite
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM Albite parameters
-10  DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -1740,27 +1775,27 @@ Albite
 #Calcite
 ########
 # Example of KINETICS data block for calcite rate,
-#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
 # KINETICS 1
 # Calcite
 # -tol   1e-8
 # -m0    3.e-3
-# -m     3.e-3
+# -m	3.e-3
 # -parms 1.67e5   0.6  # cm^2/mol calcite, exp factor
 # -time  1 day
 
 Calcite
    -start
-1   REM   PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2   REM   PARM(2) = exponent for M/M0
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
 
-10  si_cc = SI("Calcite")
-20  IF (M <= 0  and si_cc < 0) THEN GOTO 200
-30  k1 = 10^(0.198 - 444.0 / TK )
-40  k2 = 10^(2.84 - 2177.0 /TK )
-50  IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60  IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80  IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
 120 rate = rate * (1 - 10^(2/3*si_cc))
 130 moles = rate * 0.001 * TIME # convert from mmol to mol
@@ -1776,27 +1811,27 @@ Calcite
 # rate equation is mol m^-2 s^-1.
 #
 # Example of KINETICS data block for pyrite rate:
-#       KINETICS 1
-#       Pyrite
-#               -tol    1e-8
-#               -m0     5.e-4
-#               -m      5.e-4
-#               -parms  0.3     0.67     .5      -0.11
-#               -time 1 day in 10
+#	  KINETICS 1
+#	  Pyrite
+#		  -tol    1e-8
+#		  -m0	5.e-4
+#		  -m	 5.e-4
+#		  -parms  0.3	0.67	.5	 -0.11
+#		  -time 1 day in 10
 Pyrite
   -start
-1   REM        Williamson and Rimstidt, 1994
-2   REM        PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3   REM        PARM(2) = exp for (M/M0)
-4   REM        PARM(3) = exp for O2
-5   REM        PARM(4) = exp for H+
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
 
-10  REM Dissolution in presence of DO
-20  if (M <= 0) THEN GOTO 200
-30  if (SI("Pyrite") >= 0) THEN GOTO 200
-40  log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50  log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60  moles = 10^(log_area + log_rate) * TIME
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
 200 SAVE moles
   -end
 
@@ -1805,27 +1840,27 @@ Pyrite
 ##########
 #
 # Example of KINETICS data block for SOC (sediment organic carbon):
-#       KINETICS 1
-#       Organic_C
-#               -formula C
-#               -tol    1e-8
-#               -m      5e-3   # SOC in mol
-#               -time 30 year in 15
+#	  KINETICS 1
+#	  Organic_C
+#		  -formula C
+#		  -tol    1e-8
+#		  -m	 5e-3   # SOC in mol
+#		  -time 30 year in 15
 Organic_C
  -start
-1   REM      Additive Monod kinetics for SOC (sediment organic carbon)
-2   REM      Electron acceptors: O2, NO3, and SO4
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
 
-10  if (M <= 0) THEN GOTO 200
-20  mO2   = MOL("O2")
-30  mNO3  = TOT("N(5)")
-40  mSO4  = TOT("S(6)")
-50  k_O2  = 1.57e-9    # 1/sec
-60  k_NO3 = 1.67e-11   # 1/sec
-70  k_SO4 = 1.e-13     # 1/sec
-80  rate  = k_O2 * mO2/(2.94e-4 + mO2)
-90  rate  = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate  = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
 110 moles = rate * M * (M/M0) * TIME
 200 SAVE moles
  -end
@@ -1838,33 +1873,34 @@ Organic_C
 # Rate equation given as mol L^-1 s^-1
 #
 # Example of KINETICS data block for Pyrolusite
-#       KINETICS 1-12
-#       Pyrolusite
-#               -tol    1.e-7
-#               -m0     0.1
-#               -m      0.1
-#               -time 0.5 day in 10
+#	  KINETICS 1-12
+#	  Pyrolusite
+#		  -tol    1.e-7
+#		  -m0	0.1
+#		  -m	 0.1
+#		  -time 0.5 day in 10
 Pyrolusite
   -start
-10  if (M <= 0) THEN GOTO 200
-20  sr_pl = SR("Pyrolusite")
-30  if (sr_pl > 1) THEN GOTO 100
-40  REM sr_pl <= 1, undersaturated
-50  Fe_t = TOT("Fe(2)")
-60  if Fe_t < 1e-8 then goto 200
-70  moles = 6.98e-5 * Fe_t  * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80  GOTO 200
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
 100 REM sr_pl > 1, supersaturated
 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
 200 SAVE moles * SOLN_VOL
   -end
+
 END
 # =============================================================================================
-#(a) means amorphous. (d) means disordered, or less crystalline. 
-#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), 
-#precipitated, indicates an initial precipitate that is less crystalline. 
+#(a) means amorphous. (d) means disordered, or less crystalline.
+#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt),
+#precipitated, indicates an initial precipitate that is less crystalline.
 #Zn(OH)2(e) indicates a specific crystal form, epsilon.
-# ============================================================================================= 
+# =============================================================================================
 # For the reaction aA + bB = cC + dD,
 #   with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
@@ -1876,36 +1912,36 @@ END
 #    H2O    0.49   0.19   0.19   0.49
 # =============================================================================================
 # The molar volumes of solids are entered with
-#                         -Vm vm cm3/mol
+#			 -Vm vm cm3/mol
 #    vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
 # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
 #   Deer, Howie and Zussman, The rock-forming minerals, Longman.
-#                           --------------------
+#			   --------------------
 # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with 
-#                        -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
+#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
+#			-Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
 # The volume (cm3/mol) is
 #    Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb)  + a3 / (T - 228) +
-#                            a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-#                   + z^2 / 2 * Av * f(I^0.5)
-#                   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
+#			    a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
+#		   + z^2 / 2 * Av * f(I^0.5)
+#		   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
 #   Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
 #   41.84 transforms cal/bar/mol into cm3/mol.
 #   pb is pressure in bar.
 #   W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
-#     W is fitted on measured solution densities.
+#	W is fitted on measured solution densities.
 #   z is charge of the solute species.
 #   Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
 #   a0 is the ion-size parameter in the extended Debye-Hückel equation:
-#     f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
-#     a0 = -gamma x for cations, = 0 for anions.
+#	f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
+#	a0 = -gamma	  x for cations, = 0 for anions.
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
 #    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
-#    #           b0       b1       b2      d1       d2      d3     tan
+#    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
@@ -1913,7 +1949,7 @@ END
 #    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 4.
 #
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. 
+# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
 # ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
 # ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
 # ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
diff --git a/database/CMakeLists.txt b/database/CMakeLists.txt
index 296e5384..75d594f5 100644
--- a/database/CMakeLists.txt
+++ b/database/CMakeLists.txt
@@ -1,14 +1,19 @@
 set(phreeqc_DATABASE
   Amm.dat
-  core10.dat
   ColdChem.dat
+  Concrete_PHR.dat
+  Concrete_PZ.dat
+  core10.dat
   frezchem.dat
   iso.dat
+  Kinec_v3.dat
+  Kinec.v2.dat
   llnl.dat
   minteq.dat
   minteq.v4.dat
-  phreeqc.dat
+  phreeqc_rates.dat
   PHREEQC_ThermoddemV1.10_15Dec2020.dat
+  phreeqc.dat
   pitzer.dat
   sit.dat
   Tipping_Hurley.dat
diff --git a/database/Concrete_PHR.dat b/database/Concrete_PHR.dat
new file mode 100644
index 00000000..ded8898f
--- /dev/null
+++ b/database/Concrete_PHR.dat
@@ -0,0 +1,158 @@
+# Concrete minerals
+# Read this file in your input file with 
+#        INCLUDE$ c:\phreeqc\database\concrete_phr.dat
+
+PRINT; -reset false
+
+# # AFm (short for monosulfoaluminate) is an anion-exchanger, with the general formula Ca4Al2(Y-2)(OH)12:6H2O.
+# # Listed are the solubilities of end-members in the neutral form as Y-AFm, and with 5% surface charge as Y-AFmsura.
+# #
+# # Example of the combination of the charged AFmsura and charge-balancing EDL calculations:
+# SURFACE_MASTER_SPECIES
+# Sura Sura+
+# SURFACE_SPECIES
+# Sura+ = Sura+
+# SOLUTION 1
+# pH 7 charge
+# REACTION 1
+# Ca3O3Al2O3 1 gypsum 1; 0.113 # MW gfw("Ca3O3Al2O3CaSO4(H2O)2") = 442.4. 0.113 for w/s = 20
+# SAVE solution 2
+# END
+
+# RATES
+# Sum_all_AFmsura # Sums up with the single charge formula, Ca2Al...
+# 10 tot_ss = 2 * equi("AFmsura")
+# 20 SAVE (m - tot_ss) * time
+# -end
+
+# USE solution 2
+# EQUILIBRIUM_PHASES 2
+# AFmsura 0 0
+# KINETICS 2
+# Sum_all_AFmsura; -formula H2O 0; -m0 0; -time_step 30
+# SURFACE 2
+# Sura Sum_all_AFmsura kin 0.05 8.6e3; -donnan debye 2 ; -equil 1
+# END
+
+PHASES
+Portlandite # Reardon, 1990
+  Ca(OH)2 = Ca+2 + 2 OH-
+  -log_k -5.19; -Vm 33.1
+
+Gibbsite
+  Al(OH)3 + OH- = Al(OH)4-
+  -log_k  -1.123;  -Vm  32.2
+  -analyt  -7.234  1.068e-2  0  1.1829 # data from Wesolowski, 1992, GCA 56, 1065
+
+# AFm with a single exchange site...
+OH-AFm # Appelo, 2021
+  Ca2AlOH(OH)6:6H2O = 2 Ca+2 + Al(OH)4- + 3 OH- + 6 H2O
+  -log_k  -12.84; -Vm  185
+OH-AFmsura
+  Ca2Al(OH)0.95(OH)6:6H2O+0.05 = 2 Ca+2 + Al(OH)4- + OH- + 1.95 OH- + 6 H2O
+  -log_k  -12.74; -Vm  185
+
+Cl-AFm # Friedel's salt.  Appelo, 2021
+  Ca2AlCl(OH)6:2H2O = 2 Ca+2 + Al(OH)4- + Cl- + 2 OH- + 2 H2O
+  -log_k  -13.68; -Vm  136
+Cl-AFmsura
+  Ca2AlCl0.95(OH)6:2H2O+0.05 = 2 Ca+2 + Al(OH)4- + 0.95 Cl- + 2 OH- + 2 H2O
+  -log_k  -13.59; -Vm  136
+
+# AFm with a double exchange site...
+SO4-AFm # Monosulfoaluminate. Appelo, 2021
+  Ca4Al2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Al(OH)4- + SO4-2 + 4 OH- + 6 H2O
+  -log_k  -29.15; -Vm  309
+SO4-AFmsura
+  Ca4Al2(SO4)0.95(OH)12:6H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.95   SO4-2 + 4 OH- + 6 H2O
+  -log_k  -28.88; -Vm  309
+
+SO4-OH-AFm # Hemisulfoaluminate. Appelo, 2021
+  Ca4Al2(SO4)0.5(OH)(OH)12:9H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 SO4-2 + 5 OH- + 9 H2O
+  -log_k  -27.24; -Vm  340
+SO4-OH-AFmsura
+  Ca4Al2(SO4)0.475(OH)0.95(OH)12:9H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 SO4-2 + 4.95 OH- + 9 H2O
+  -log_k  -26.94; -Vm  340
+
+CO3-AFm # Monocarboaluminate. Appelo, 2021
+  Ca4Al2(CO3)(OH)12:5H2O = 4 Ca+2 + 2 Al(OH)4- + CO3-2 + 4 OH- + 5 H2O
+  -log_k  -31.32; -Vm  261
+CO3-AFmsura
+  Ca4Al2(CO3)0.95(OH)12:5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.95  CO3-2 + 4 OH- + 5 H2O
+  -log_k  -31.05; -Vm  261
+
+CO3-OH-AFm # Hemicarboaluminate. Appelo, 2021
+  Ca4Al2(CO3)0.5(OH)(OH)12:5.5H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 CO3-2 + 5 OH- + 5.5 H2O
+  -log_k  -29.06; -Vm  284
+CO3-OH-AFmsura
+  Ca4Al2(CO3)0.475(OH)0.95(OH)12:5.5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 CO3-2 + 4.95 OH- + 5.5 H2O
+  -log_k  -28.84; -Vm  284
+
+SO4-Cl-AFm # Kuzel's salt. Appelo, 2021
+  Ca4Al2(SO4)0.5Cl(OH)12:5H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 SO4-2 + Cl- + 4 OH- + 5 H2O
+  -log_k  -28.52; -Vm  290
+SO4-Cl-AFmsura
+  Ca4Al2(SO4)0.475Cl0.95(OH)12:5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 SO4-2 + 0.95 Cl- + 4 OH- + 5 H2O
+  -log_k  -28.41; -Vm  290
+
+SO4-AFem # Lothenbach 2019
+  Ca4Fe2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Fe(OH)4- + SO4-2 + 4 OH- + 6 H2O
+  -log_k  -31.57;  -Vm  321
+CO3-AFem # Lothenbach 2019
+  Ca4Fe2(CO3)(OH)12:6H2O = 4 Ca+2 + 2 Fe(OH)4- + CO3-2 + 4 OH- + 6 H2O
+  -log_k  -34.59;  -Vm  292
+CO3-OH-AFem # Lothenbach 2019. ?? 3.5 H2O??
+  Ca4Fe2(CO3)0.5(OH)(OH)12:3.5H2O = 4 Ca+2 + 2 Fe(OH)4- + 0.5 CO3-2 + 5 OH- + 3.5 H2O
+  -log_k  -30.83;  -Vm  273
+
+Ettringite # Matschei, 2007, fig. 27
+  Ca6Al2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Al(OH)4- + 3 SO4-2 + 4 OH- + 26 H2O
+  -log_k  -44.8; -Vm  707
+  -analyt  334.09  0  -26251  -117.57  # 5 - 75 C
+
+CO3-ettringite # Matschei, 2007, tbl 13
+  Ca6Al2(CO3)3(OH)12:26H2O = 6 Ca+2 + 2 Al(OH)4- + 3 CO3-2 + 4 OH- + 26 H2O;
+  -log_k  -46.50; -Vm  652
+
+C2AH8 # Matschei, fig. 19
+  Ca2Al2(OH)10:3H2O = 2 Ca+2 + 2 Al(OH)4- + 2 OH- + 3 H2O
+  -log_k  -13.55; -Vm  184 
+  -analyt  -225.37  -0.12380  0  100.522 # 1 - 50 ºC
+
+CAH10  # Matschei, fig. 19
+  CaAl2(OH)8:6H2O = Ca+2 + 2 Al(OH)4- + 6 H2O
+  -log_k  -7.60; -Vm  194
+  -delta_h  43.2 # 1 - 20 ºC
+
+Hydrogarnet_Al # Matschei, 2007, Table 5
+  (CaO)3Al2O3(H2O)6 = 3 Ca+2 + 2 Al(OH)4- + 4 OH-
+  -log_k -20.84; -Vm 150
+ # -analyt  -20.64  -0.002  0  0.16 # 5 - 105 ºC
+ # -delta_h 6.4 kJ # Geiger et al., 2012, AM 97, 1252-1255
+
+Hydrogarnet_Fe # Lothenbach 2019
+  (CaO)3Fe2O3(H2O)6 = 3 Ca+2 + 2 Fe(OH)4- + 4 OH-
+  -log_k -26.3;  -Vm  155
+
+Hydrogarnet_Si # Matschei, 2007, Table 6
+  Ca3Al2Si0.8(OH)15.2 = 3 Ca+2 + 2 Al(OH)4- + 0.8 H4SiO4 + 4 OH-
+  -log_k  -33.69; -Vm 143
+  -analyt  -476.84  -0.2598  0  210.38 # 5 - 85 ºC
+
+Jennite # CSH2.1. Lothenbach 2019
+  Ca1.67SiO3.67:2.1H2O + 0.57 H2O = 1.67 Ca+2 + 2.34 OH- + H3SiO4-
+  -log_k  -13.12; -Vm  78.4
+
+Tobermorite-I # Lothenbach 2019
+  CaSi1.2O3.4:1.6H2O + 0.6 H2O = Ca+2 + 0.8 OH- + 1.2 H3SiO4-
+  -log_k -6.80; -Vm  70.4
+
+Tobermorite-II # Lothenbach 2019
+  Ca0.833SiO2.833:1.333H2O + 0.5 H2O = 0.833Ca+2 + 0.666 OH- + H3SiO4-
+  -log_k -7.99; -Vm  58.7
+
+PRINT; -reset true
+# Refs
+# Appelo 2021, Cem. Concr. Res. 140, https://doi.org/10.1016/j.cemconres.2020.106270.
+# Lothenbach, B. et al. 2019, Cem. Concr. Res. 115, 472-506.
+# Matschei, T. et al., 2007, Cem. Concr. Res. 37, 1379-1410. 
\ No newline at end of file
diff --git a/database/Concrete_PZ.dat b/database/Concrete_PZ.dat
new file mode 100644
index 00000000..69745ec4
--- /dev/null
+++ b/database/Concrete_PZ.dat
@@ -0,0 +1,195 @@
+# Concrete minerals for use with 
+# DATABASE c:\phreeqc\database\pitzer.dat
+# Read this file in your input file with 
+#        INCLUDE$ c:\phreeqc\database\concrete_pz.dat
+
+PRINT; -reset false
+
+SOLUTION_MASTER_SPECIES
+Al		Al(OH)4-	0	Al	26.9815
+H(0)		H2	0	H
+O(0)		O2	0	O
+SOLUTION_SPECIES
+Al(OH)4- = Al(OH)4-; -dw 1.04e-9 # dw from Mackin & Aller, 1983, GCA 47, 959
+2 H2O = O2 + 4 H+ + 4 e-; log_k  -86.08; delta_h  134.79 kcal; -dw  2.35e-9
+2 H+ + 2 e- = H2; log_k  -3.15;  delta_h  -1.759 kcal; -dw  5.13e-9
+
+PITZER # Using data from Weskolowski, 1992, GCA
+#Park & Englezos 99 The model Pitzer coeff's are different from pitzer.dat, data are everywhere below the calc'd osmotic from Weskolowski.
+-B0
+  Al(OH)4-  K+   -0.0669  0 0  8.24e-3
+  Al(OH)4-  Na+  -0.0289  0 0  1.18e-3
+-B1
+  Al(OH)4-  K+    0.668  0 0 -1.93e-2
+  Al(OH)4-  Na+   0.461  0 0 -2.33e-3
+-C0
+  Al(OH)4-  K+    0.0499  0 0  -3.63e-3
+  Al(OH)4-  Na+   0.0073  0 0  -1.56e-4
+-THETA
+  Al(OH)4-   Cl- -0.0233  0 0  -8.11e-4
+  Al(OH)4-   OH-  0.0718  0 0  -7.29e-4
+   # Al(OH)4-   SO4-2    -0.012
+-PSI
+  Al(OH)4-   Cl-   K+    0.0009  0 0   9.94e-4
+  Al(OH)4-   Cl-   Na+   0.0048  0 0   1.32e-4
+  Al(OH)4-   OH-   Na+  -0.0048  0 0   1.00e-4
+  Al(OH)4-   OH-   K+    0  0 0  0
+  Al(OH)4-   K+    Na+   0  0 0  0
+END
+
+# # AFm (short for monosulfoaluminate) is an anion-exchanger, with the general formula Ca4Al2(Y-2)(OH)12:6H2O.
+# # Listed are the solubilities of end-members in the neutral form as Y-AFm, and with 5% surface charge as Y-AFmsura.
+# #
+# # Example of the combination of the charged AFmsura and charge-balancing EDL calculations:
+# SURFACE_MASTER_SPECIES
+# Sura Sura+
+# SURFACE_SPECIES
+# Sura+ = Sura+
+# SOLUTION 1
+# pH 7 charge
+# REACTION 1
+# Ca3O3Al2O3 1 gypsum 1; 0.113 # MW gfw("Ca3O3Al2O3CaSO4(H2O)2") = 442.4. 0.113 for w/s = 20
+# SAVE solution 2
+# END
+
+# RATES
+# Sum_all_AFmsura # Sums up with the single charge formula, Ca2Al...
+# 10 tot_ss = 2 * equi("AFmsura")
+# 20 SAVE (m - tot_ss) * time
+# -end
+
+# USE solution 2
+# EQUILIBRIUM_PHASES 2
+# AFmsura 0 0
+# KINETICS 2
+# Sum_all_AFmsura; -formula H2O 0; -m0 0; -time_step 30
+# SURFACE 2
+# Sura Sum_all_AFmsura kin 0.05 8.6e3; -donnan debye 2 ; -equil 1
+# END
+
+PHASES
+O2(g)
+  O2 = O2; -log_k  -2.8983
+  -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
+H2(g)
+ H2 = H2; -log_k  -3.1050
+ -analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
+
+Portlandite # Reardon, 1990
+  Ca(OH)2 = Ca+2 + 2 OH-
+  -log_k -5.19; -Vm 33.1
+
+Gibbsite
+  Al(OH)3 + OH- = Al(OH)4-
+  -log_k  -1.123;  -Vm  32.2
+  -analyt  -7.234  1.068e-2  0  1.1829 # data from Wesolowski, 1992, GCA 56, 1065
+
+# AFm with a single exchange site...
+OH-AFm # Appelo, 2021
+  Ca2AlOH(OH)6:6H2O = 2 Ca+2 + Al(OH)4- + 3 OH- + 6 H2O
+  -log_k  -12.84; -Vm  185
+OH-AFmsura
+  Ca2Al(OH)0.95(OH)6:6H2O+0.05 = 2 Ca+2 + Al(OH)4- + OH- + 1.95 OH- + 6 H2O
+  -log_k  -12.74; -Vm  185
+
+Cl-AFm # Friedel's salt.  Appelo, 2021
+  Ca2AlCl(OH)6:2H2O = 2 Ca+2 + Al(OH)4- + Cl- + 2 OH- + 2 H2O
+  -log_k  -13.68; -Vm  136
+Cl-AFmsura
+  Ca2AlCl0.95(OH)6:2H2O+0.05 = 2 Ca+2 + Al(OH)4- + 0.95 Cl- + 2 OH- + 2 H2O
+  -log_k  -13.59; -Vm  136
+
+# AFm with a double exchange site...
+SO4-AFm # Monosulfoaluminate. Appelo, 2021
+  Ca4Al2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Al(OH)4- + SO4-2 + 4 OH- + 6 H2O
+  -log_k  -29.15; -Vm  309
+SO4-AFmsura
+  Ca4Al2(SO4)0.95(OH)12:6H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.95   SO4-2 + 4 OH- + 6 H2O
+  -log_k  -28.88; -Vm  309
+
+SO4-OH-AFm # Hemisulfoaluminate. Appelo, 2021
+  Ca4Al2(SO4)0.5(OH)(OH)12:9H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 SO4-2 + 5 OH- + 9 H2O
+  -log_k  -27.24; -Vm  340
+SO4-OH-AFmsura
+  Ca4Al2(SO4)0.475(OH)0.95(OH)12:9H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 SO4-2 + 4.95 OH- + 9 H2O
+  -log_k  -26.94; -Vm  340
+
+CO3-AFm # Monocarboaluminate. Appelo, 2021
+  Ca4Al2(CO3)(OH)12:5H2O = 4 Ca+2 + 2 Al(OH)4- + CO3-2 + 4 OH- + 5 H2O
+  -log_k  -31.32; -Vm  261
+CO3-AFmsura
+  Ca4Al2(CO3)0.95(OH)12:5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.95  CO3-2 + 4 OH- + 5 H2O
+  -log_k  -31.05; -Vm  261
+
+CO3-OH-AFm # Hemicarboaluminate. Appelo, 2021
+  Ca4Al2(CO3)0.5(OH)(OH)12:5.5H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 CO3-2 + 5 OH- + 5.5 H2O
+  -log_k  -29.06; -Vm  284
+CO3-OH-AFmsura
+  Ca4Al2(CO3)0.475(OH)0.95(OH)12:5.5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 CO3-2 + 4.95 OH- + 5.5 H2O
+  -log_k  -28.84; -Vm  284
+
+SO4-Cl-AFm # Kuzel's salt. Appelo, 2021
+  Ca4Al2(SO4)0.5Cl(OH)12:5H2O = 4 Ca+2 + 2 Al(OH)4- + 0.5 SO4-2 + Cl- + 4 OH- + 5 H2O
+  -log_k  -28.52; -Vm  290
+SO4-Cl-AFmsura
+  Ca4Al2(SO4)0.475Cl0.95(OH)12:5H2O+0.1 = 4 Ca+2 + 2 Al(OH)4- + 0.475 SO4-2 + 0.95 Cl- + 4 OH- + 5 H2O
+  -log_k  -28.41; -Vm  290
+
+# No Fe(OH)4- in Pitzer...
+# SO4-AFem # Lothenbach 2019
+  # Ca4Fe2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Fe(OH)4- + SO4-2 + 4 OH- + 6 H2O
+  # -log_k  -31.57;  -Vm  321
+# CO3-AFem # Lothenbach 2019
+  # Ca4Fe2(CO3)(OH)12:6H2O = 4 Ca+2 + 2 Fe(OH)4- + CO3-2 + 4 OH- + 6 H2O
+  # -log_k  -34.59;  -Vm  292
+# CO3-OH-AFem # Lothenbach 2019. ?? 3.5 H2O??
+  # Ca4Fe2(CO3)0.5(OH)(OH)12:3.5H2O = 4 Ca+2 + 2 Fe(OH)4- + 0.5 CO3-2 + 5 OH- + 3.5 H2O
+  # -log_k  -30.83;  -Vm  273
+
+Ettringite # Matschei, 2007, fig. 27
+  Ca6Al2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Al(OH)4- + 3 SO4-2 + 4 OH- + 26 H2O
+  -log_k  -44.8; -Vm  707
+  -analyt  334.09  0  -26251  -117.57  # 5 - 75 C
+
+CO3-ettringite # Matschei, 2007, tbl 13
+  Ca6Al2(CO3)3(OH)12:26H2O = 6 Ca+2 + 2 Al(OH)4- + 3 CO3-2 + 4 OH- + 26 H2O;
+  -log_k  -46.50; -Vm  652
+
+C2AH8 # Matschei, fig. 19
+  Ca2Al2(OH)10:3H2O = 2 Ca+2 + 2 Al(OH)4- + 2 OH- + 3 H2O
+  -log_k  -13.55; -Vm  184 
+  -analyt  -225.37  -0.12380  0  100.522 # 1 - 50 ºC
+
+CAH10  # Matschei, fig. 19
+  CaAl2(OH)8:6H2O = Ca+2 + 2 Al(OH)4- + 6 H2O
+  -log_k  -7.60; -Vm  194
+  -delta_h  43.2 # 1 - 20 ºC
+
+Hydrogarnet_Al # Matschei, 2007, Table 5
+  (CaO)3Al2O3(H2O)6 = 3 Ca+2 + 2 Al(OH)4- + 4 OH-
+  -log_k -20.84; -Vm 150
+ # -analyt  -20.64  -0.002  0  0.16 # 5 - 105 ºC
+ # -delta_h 6.4 kJ # Geiger et al., 2012, AM 97, 1252-1255
+
+Hydrogarnet_Si # Matschei, 2007, Table 6
+  Ca3Al2Si0.8(OH)15.2 = 3 Ca+2 + 2 Al(OH)4- + 0.8 H4SiO4 + 4 OH-
+  -log_k  -33.69; -Vm 143
+  -analyt  -476.84  -0.2598  0  210.38 # 5 - 85 ºC
+
+Jennite # CSH2.1. Lothenbach 2019
+  Ca1.67SiO3.67:2.1H2O + 0.57 H2O = 1.67 Ca+2 + 2.34 OH- + H3SiO4-
+  -log_k  -13.12; -Vm  78.4
+
+Tobermorite-I # Lothenbach 2019
+  CaSi1.2O3.4:1.6H2O + 0.6 H2O = Ca+2 + 0.8 OH- + 1.2 H3SiO4-
+  -log_k -6.80; -Vm  70.4
+
+Tobermorite-II # Lothenbach 2019
+  Ca0.833SiO2.833:1.333H2O + 0.5 H2O = 0.833Ca+2 + 0.666 OH- + H3SiO4-
+  -log_k -7.99; -Vm  58.7
+
+PRINT; -reset true
+# Refs
+# Appelo 2021, Cem. Concr. Res. 140, https://doi.org/10.1016/j.cemconres.2020.106270
+# Lothenbach, B. et al. 2019, Cem. Concr. Res. 115, 472-506.
+# Matschei, T. et al., 2007, Cem. Concr. Res. 37, 1379-1410. 
\ No newline at end of file
diff --git a/database/EPRI/epri_cdmusic.dat b/database/EPRI/epri_cdmusic.dat
index ce9db7db..d1ff88de 100644
--- a/database/EPRI/epri_cdmusic.dat
+++ b/database/EPRI/epri_cdmusic.dat
@@ -1,12987 +1,12987 @@
-#  $Id: minteq.v4.dat 794 2006-02-27 21:06:22Z dlpark $
-#  expanded with CD-MUSIC parameters for sorption of oxyanions on goethite and HFO 1/14/2009 dv
-#  
-SOLUTION_MASTER_SPECIES
-Alkalinity	CO3-2		2.0     HCO3    61.0173
-E		e-		0	0	0
-O		H2O		0	O	16.00
-O(-2)		H2O		0	O
-O(0)		O2		0	O
-Ag		Ag+		0.0	Ag	107.868
-Al		Al+3		0.0	Al	26.9815
-As		H3AsO4		-1.0	As	74.9216
-As(3)		H3AsO3		0.0	As
-As(5)		H3AsO4		-1.0	As
-B		H3BO3		0.0	B	10.81
-Ba		Ba+2		0.0	Ba	137.33
-Be		Be+2		0.0	Be	9.0122
-Br		Br-		0.0	Br	79.904
-C		CO3-2		2.0	CO3	12.0111
-C(4)		CO3-2		2.0	CO3	12.0111
-Cyanide		Cyanide-	1.0	Cyanide	26.0177
-Dom_a		Dom_a		0.0	C	12.0111
-Dom_b		Dom_b		0.0	C	12.0111
-Dom_c		Dom_c		0.0	C	12.0111
-Ca		Ca+2		0.0	Ca	40.078
-Cd		Cd+2		0.0	Cd	112.41
-Cl		Cl-		0.0	Cl	35.453
-Co		Co+3		-1.0	Co	58.9332
-Co(2)		Co+2		0.0	Co
-Co(3)		Co+3		-1.0	Co
-Cr		CrO4-2		1.0	Cr	51.996
-Cr(2)		Cr+2		0.0	Cr
-Cr(3)		Cr(OH)2+	0.0	Cr
-Cr(6)		CrO4-2		1.0	Cr
-Cu		Cu+2		0.0	Cu	63.546
-Cu(1)		Cu+		0.0	Cu
-Cu(2)		Cu+2		0.0	Cu
-F		F-		0.0	F	18.9984
-Fe		Fe+3		-2.0	Fe	55.847
-Fe(2)		Fe+2		0.0	Fe
-Fe(3)		Fe+3		-2.0	Fe
-H		H+		-1.0	H	1.0079
-H(0)		H2		0	H
-H(1)		H+		-1.0	H
-Hg		Hg(OH)2		0.0	Hg	200.59
-Hg(0)           Hg		0.0	Hg
-Hg(1)		Hg2+2		0.0	Hg
-Hg(2)		Hg(OH)2		0.0	Hg
-I		I-		0.0	I	126.904
-K		K+		0.0	K	39.0983
-Li		Li+		0.0	Li	6.941
-Mg		Mg+2		0.0	Mg	24.305
-Mn		Mn+3		0.0	Mn	54.938
-Mn(2)		Mn+2		0.0	Mn
-Mn(3)		Mn+3		0.0	Mn
-Mn(6)		MnO4-2		0.0	Mn
-Mn(7)		MnO4-		0.0	Mn
-Mo		MoO4-2		0.0	Mo	95.94
-N		NO3-		0.0	N	14.0067
-N(-3)		NH4+		0.0	N
-N(3)		NO2-		0.0	N
-N(5)		NO3-		0.0	N
-Na		Na+		0.0	Na	22.9898
-Ni		Ni+2		0.0	Ni	58.69
-P		PO4-3		2.0	P	30.9738
-Pb		Pb+2		0.0	Pb	207.2
-S		SO4-2		0.0	SO4	32.066
-S(-2)		HS-		1.0	S
-#S(0)		S		0.0	S
-S(6)		SO4-2		0.0	SO4
-Sb		Sb(OH)6-	0.0	Sb	121.75
-Sb(3)		Sb(OH)3		0.0	Sb
-Sb(5)		Sb(OH)6-	0.0	Sb
-Se		SeO4-2		0.0	Se	78.96
-Se(-2)		HSe-		0.0	Se
-Se(4)		HSeO3-		0.0	Se
-Se(6)		SeO4-2		0.0	Se
-Si		H4SiO4		0.0	SiO2	28.0843
-Sn		Sn(OH)6-2	0.0	Sn	118.71
-Sn(2)		Sn(OH)2		0.0	Sn
-Sn(4)		Sn(OH)6-2	0.0	Sn
-Sr		Sr+2		0.0	Sr	87.62
-Tl		Tl(OH)3		0.0	Tl	204.383
-Tl(1)		Tl+		0.0	Tl
-Tl(3)		Tl(OH)3		0.0	Tl
-U		UO2+2		0.0	U	238.029
-U(3)		U+3		0.0	U
-U(4)		U+4		-4.0	U
-U(5)		UO2+		0.0	U
-U(6)		UO2+2		0.0	U
-V		VO2+		-2.0	V	50.94
-V(2)		V+2		0.0	V
-V(3)		V+3		-3.0	V
-V(4)		VO+2		0.0	V
-V(5)		VO2+		-2.0	V
-Zn		Zn+2		0.0	Zn	65.39
-Benzoate	Benzoate-	0.0	121.116	121.116
-Phenylacetate	Phenylacetate-	0.0	135.142	135.142
-Isophthalate	Isophthalate-2	0.0	164.117	164.117
-Diethylamine	Diethylamine	1.0	73.138	73.138
-Butylamine	Butylamine	1.0	73.138	73.138
-Methylamine	Methylamine	1.0	31.057	31.057
-Dimethylamine	Dimethylamine	1.0	45.084	45.084
-Hexylamine	Hexylamine	1.0	101.192	101.192
-Ethylenediamine	Ethylenediamine	2.0	60.099	60.099
-Propylamine	Propylamine	1.0	59.111	59.111
-Isopropylamine	Isopropylamine	1.0	59.111	59.111
-Trimethylamine	Trimethylamine	1.0	59.111	59.111
-Citrate		Citrate-3	2.0	189.102	189.102
-Nta		Nta-3		1.0	188.117	188.117
-Edta		Edta-4		2.0	288.214	288.214
-Propionate	Propionate-	1.0	73.072	73.072
-Butyrate	Butyrate-	1.0	87.098	87.098
-Isobutyrate	Isobutyrate-	1.0	87.098	87.098
-Two_picoline	Two_picoline	1.0	93.128	93.128
-Three_picoline	Three_picoline	1.0	93.128	93.128
-Four_picoline	Four_picoline	1.0	93.128	93.128
-Formate		Formate-	0.0	45.018	45.018
-Isovalerate	Isovalerate-	1.0	101.125	101.125
-Valerate	Valerate-	1.0	101.125	101.125
-Acetate		Acetate-	1.0	59.045	59.045
-Tartarate	Tartarate-2	0.0	148.072	148.072
-Glycine		Glycine-	1.0	74.059	74.059
-Salicylate	Salicylate-2	1.0	136.107	136.107
-Glutamate	Glutamate-2	1.0	145.115	145.115
-Phthalate	Phthalate-2	1.0	164.117	164.117
-SOLUTION_SPECIES
-e- = e-
-	log_k 0
-H2O = H2O
-	log_k 0
-Ag+ = Ag+
-	log_k 0
-Al+3 = Al+3
-	log_k 0
-H3AsO4 = H3AsO4
-	log_k 0
-H3BO3 = H3BO3
-	log_k 0
-Ba+2 = Ba+2
-	log_k 0
-Be+2 = Be+2
-	log_k 0
-Br- = Br-
-	log_k 0
-CO3-2 = CO3-2
-	log_k 0
-Cyanide- = Cyanide- 
-	log_k 0
-Dom_a = Dom_a
-	log_k 0
-Dom_b = Dom_b
-	log_k 0
-Dom_c = Dom_c
-	log_k 0
-Ca+2 = Ca+2
-	log_k 0
-Cd+2 = Cd+2
-	log_k 0
-Cl- = Cl-
-	log_k 0
-Co+3 = Co+3
-	log_k 0
-CrO4-2 = CrO4-2
-	log_k 0
-Cu+2 = Cu+2
-	log_k 0
-F- = F-
-	log_k 0
-Fe+3 = Fe+3
-	log_k 0
-H+ = H+
-	log_k 0
-Hg(OH)2 = Hg(OH)2
-	log_k 0
-I- = I-
-	log_k 0
-K+ = K+
-	log_k 0
-Li+ = Li+
-	log_k 0
-Mg+2 = Mg+2
-	log_k 0
-Mn+3 = Mn+3
-	log_k 0
-MoO4-2 = MoO4-2
-	log_k 0
-NO3- = NO3-
-	log_k 0
-Na+ = Na+
-	log_k 0
-Ni+2 = Ni+2
-	log_k 0
-PO4-3 = PO4-3
-	log_k 0
-Pb+2 = Pb+2
-	log_k 0
-SO4-2 = SO4-2
-	log_k 0
-Sb(OH)6- = Sb(OH)6-
-	log_k 0
-SeO4-2 = SeO4-2
-	log_k 0
-H4SiO4 = H4SiO4
-	log_k 0
-Sn(OH)6-2 = Sn(OH)6-2
-	log_k 0
-Sr+2 = Sr+2
-	log_k 0
-Tl(OH)3 = Tl(OH)3
-	log_k 0
-UO2+2 = UO2+2
-	log_k 0
-VO2+ = VO2+
-	log_k 0
-Benzoate- = Benzoate-
-	log_k 0
-Phenylacetate- = Phenylacetate-
-	log_k 0
-Isophthalate-2 = Isophthalate-2
-	log_k 0
-Zn+2 = Zn+2
-	log_k 0
-Diethylamine = Diethylamine
-	log_k 0
-Butylamine = Butylamine
-	log_k 0
-Methylamine = Methylamine
-	log_k 0
-Dimethylamine = Dimethylamine
-	log_k 0
-Hexylamine = Hexylamine
-	log_k 0
-Ethylenediamine = Ethylenediamine
-	log_k 0
-Propylamine = Propylamine
-	log_k 0
-Isopropylamine = Isopropylamine
-	log_k 0
-Trimethylamine = Trimethylamine
-	log_k 0
-Citrate-3 = Citrate-3
-	log_k 0
-Nta-3 = Nta-3
-	log_k 0
-Edta-4 = Edta-4
-	log_k 0
-Propionate- = Propionate-
-	log_k 0
-Butyrate- = Butyrate-
-	log_k 0
-Isobutyrate- = Isobutyrate-
-	log_k 0
-Two_picoline = Two_picoline
-	log_k 0
-Three_picoline = Three_picoline
-	log_k 0
-Four_picoline = Four_picoline
-	log_k 0
-Formate- = Formate-
-	log_k 0
-Isovalerate- = Isovalerate-
-	log_k 0
-Valerate- = Valerate-
-	log_k 0
-Acetate- = Acetate-
-	log_k 0
-Tartarate-2 = Tartarate-2
-	log_k 0
-Glycine- = Glycine-
-	log_k 0
-Salicylate-2 = Salicylate-2
-	log_k 0
-Glutamate-2 = Glutamate-2
-	log_k 0
-Phthalate-2 = Phthalate-2
-	log_k 0
-SOLUTION_SPECIES
-Fe+3 + e- = Fe+2
-	log_k	13.032
-	delta_h	-42.7	kJ
-	-gamma	0	0
-		#                  Id:	2802810
-		#        log K source:	Bard85                        
-		#      Delta H source:	Bard85                        
-		#T and ionic strength:	          
-H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
-	log_k	18.898
-	delta_h	-125.6	kJ
-	-gamma	0	0
-		#                  Id:	600610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
-	log_k	24.31
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7407410
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 3e- + 4H+ = U+3 + 2H2O
-	log_k	0.42
-	delta_h	-42	kJ
-	-gamma	0	0
-		#                  Id:	8908930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 2e- + 4H+ = U+4 + 2H2O
-	log_k	9.216
-	delta_h	-144.1	kJ
-	-gamma	0	0
-		#                  Id:	8918930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + e- = UO2+
-	log_k	2.785
-	delta_h	-13.8	kJ
-	-gamma	0	0
-		#                  Id:	8928930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-e- + Mn+3 = Mn+2
-	log_k	25.35
-	delta_h	-107.8	kJ
-	-gamma	0	0
-		#                  Id:	4704710
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Co+3 + e- = Co+2
-	log_k	32.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2002010
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+2 + e- = Cu+
-	log_k	2.69
-	delta_h	6.9	kJ
-	-gamma	0	0
-		#                  Id:	2302310
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-V+3 + e- = V+2
-	log_k	-4.31
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9009010
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-VO+2 + e- + 2H+ = V+3 + H2O
-	log_k	5.696
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9019020
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-VO2+ + e- + 2H+ = VO+2 + H2O
-	log_k	16.903
-	delta_h	-122.7	kJ
-	-gamma	0	0
-		#                  Id:	9029030
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-SO4-2 + 9H+ + 8e- = HS- + 4H2O
-	log_k	33.66
-	delta_h	-60.14	kJ
-	-gamma	0	0
-		#                  Id:	7307320
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O
-	log_k	19.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7907910
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
-	log_k	45.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8708710
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-HSeO3- + 6e- + 6H+ = HSe- + 3H2O
-	log_k	44.86
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7607610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
-	log_k	36.308
-	delta_h	-201.2	kJ
-	-gamma	0	0
-		#                  Id:	7617620
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-0.5Hg2+2 + e- = Hg
-	log_k	6.5667
-	delta_h	-45.735	kJ
-	-gamma	0	0
-		#                  Id:	3600000
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-
-2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
-	log_k	43.185
-	delta_h	-63.59	kJ
-	-gamma	0	0
-		#                  Id:	3603610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
-	log_k	2.947
-	delta_h	6.36	kJ
-	-gamma	0	0
-		#                  Id:	2102110
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
-	log_k	67.376
-	delta_h	-103	kJ
-	-gamma	0	0
-		#                  Id:	2112120
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-
-2H2O =  O2 + 4H+ + 4e-  
-#   Adjusted for equation to aqueous species	
- 	log_k      -85.9951
-        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
-
-2 H+ + 2 e- = H2
-        log_k           -3.15
-        delta_h -1.759 kcal
-
-NO3- + 2 H+ + 2 e- = NO2- + H2O
-        log_k           28.570
-        delta_h -43.760 kcal
-        -gamma    3.0000    0.0000
-
-NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
-        log_k           119.077
-        delta_h -187.055        kcal
-        -gamma    2.5000    0.0000
-
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
-	log_k	-127.794
-	delta_h	822.67	kJ
-	-gamma	3	0
-		#                  Id:	4700020
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
-	log_k	-118.422
-	delta_h	711.07	kJ
-	-gamma	5	0
-		#                  Id:	4700021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-HS- = S-2 + H+
-	log_k	-17.3
-	delta_h	49.4	kJ
-	-gamma	5	0
-		#                  Id:	3307301
-		#        log K source:	LMa1987                       
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.00 25.0
-HSe- = Se-2 + H+
-	log_k	-15
-	delta_h	48.116	kJ
-	-gamma	0	0
-		#                  Id:	3307601
-		#        log K source:	SCD3.02 (1968 DKa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ = Tl+3 + 3H2O
-	log_k	3.291
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8713300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-0.5Hg2+2 + e- = Hg
-	log_k	6.5667
-	delta_h	-45.735	kJ
-	-gamma	0	0
-		#                  Id:	3600000
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ = Hg+2 + 2H2O
-	log_k	6.194
-	delta_h	-39.72	kJ
-	-gamma	0	0
-		#                  Id:	3613300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
-	log_k	9.5688
-	delta_h	-129.62	kJ
-	-gamma	0	0
-		#                  Id:	2113300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.10 20.0
-H2O = OH- + H+
-	log_k	-13.997
-	delta_h	55.81	kJ
-	-gamma	3.5	0
-		#                  Id:	3300020
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ = Sn+2 + 2H2O
-	log_k	7.094
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + H+ = SnOH+ + H2O
-	log_k	3.697
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + H2O = Sn(OH)3- + H+
-	log_k	-9.497
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O
-	log_k	9.394
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O
-	log_k	14.394
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903305
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 = HSnO2- + H+
-	log_k	-8.9347
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7903306
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O
-	log_k	21.2194
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7913301
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 = SnO3-2 + 3H2O
-	log_k	-2.2099
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7913302
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Pb+2 + H2O = PbOH+ + H+
-	log_k	-7.597
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2H2O = Pb(OH)2 + 2H+
-	log_k	-17.094
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 3H2O = Pb(OH)3- + 3H+
-	log_k	-28.091
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Pb+2 + H2O = Pb2OH+3 + H+
-	log_k	-6.397
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
-	log_k	-23.888
-	delta_h	115.24	kJ
-	-gamma	0	0
-		#                  Id:	6003304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
-	log_k	-39.699
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003305
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+
-	log_k	-19.988
-	delta_h	88.24	kJ
-	-gamma	0	0
-		#                  Id:	6003306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H3BO3 + F- = BF(OH)3-
-	log_k	-0.399
-	delta_h	7.7404	kJ
-	-gamma	2.5	0
-		#                  Id:	902700
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
-	log_k	7.63
-	delta_h	6.8408	kJ
-	-gamma	2.5	0
-		#                  Id:	902701
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
-	log_k	13.22
-	delta_h	-20.4897	kJ
-	-gamma	2.5	0
-		#                  Id:	902702
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Al+3 + H2O = AlOH+2 + H+
-	log_k	-4.997
-	delta_h	47.81	kJ
-	-gamma	5.4	0
-		#                  Id:	303300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 2H2O = Al(OH)2+ + 2H+
-	log_k	-10.094
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	303301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 3H2O = Al(OH)3 + 3H+
-	log_k	-16.791
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	303303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 4H2O = Al(OH)4- + 4H+
-	log_k	-22.688
-	delta_h	173.24	kJ
-	-gamma	4.5	0
-		#                  Id:	303302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + H2O = TlOH + H+
-	log_k	-13.207
-	delta_h	56.81	kJ
-	-gamma	0	0
-		#                  Id:	8703300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
-	log_k	2.694
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8713301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + H+ = Tl(OH)2+ + H2O
-	log_k	1.897
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8713302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + H2O = Tl(OH)4- + H+
-	log_k	-11.697
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8713303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + H2O = ZnOH+ + H+
-	log_k	-8.997
-	delta_h	55.81	kJ
-	-gamma	0	0
-		#                  Id:	9503300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2H2O = Zn(OH)2 + 2H+
-	log_k	-17.794
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9503301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3H2O = Zn(OH)3- + 3H+
-	log_k	-28.091
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9503302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
-	log_k	-40.488
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9503303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + H2O = CdOH+ + H+
-	log_k	-10.097
-	delta_h	54.81	kJ
-	-gamma	0	0
-		#                  Id:	1603300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2H2O = Cd(OH)2 + 2H+
-	log_k	-20.294
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1603301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3H2O = Cd(OH)3- + 3H+
-	log_k	-32.505
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1603302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
-	log_k	-47.288
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1603303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Cd+2 + H2O = Cd2OH+3 + H+
-	log_k	-9.397
-	delta_h	45.81	kJ
-	-gamma	0	0
-		#                  Id:	1603304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + H+ = HgOH+ + H2O
-	log_k	2.797
-	delta_h	-18.91	kJ
-	-gamma	0	0
-		#                  Id:	3613302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + H2O = Hg(OH)3- + H+
-	log_k	-14.897
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3613303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + H2O = CuOH+ + H+
-	log_k	-7.497
-	delta_h	35.81	kJ
-	-gamma	4	0
-		#                  Id:	2313300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2H2O = Cu(OH)2 + 2H+
-	log_k	-16.194
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2313301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3H2O = Cu(OH)3- + 3H+
-	log_k	-26.879
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2313302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
-	log_k	-39.98
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2313303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
-	log_k	-10.594
-	delta_h	76.62	kJ
-	-gamma	0	0
-		#                  Id:	2313304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + H2O = AgOH + H+
-	log_k	-11.997
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	203300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2H2O = Ag(OH)2- + 2H+
-	log_k	-24.004
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	203301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + H2O = NiOH+ + H+
-	log_k	-9.897
-	delta_h	51.81	kJ
-	-gamma	0	0
-		#                  Id:	5403300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2H2O = Ni(OH)2 + 2H+
-	log_k	-18.994
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5403301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 3H2O = Ni(OH)3- + 3H+
-	log_k	-29.991
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5403302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + H2O = CoOH+ + H+
-	log_k	-9.697
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2H2O = Co(OH)2 + 2H+
-	log_k	-18.794
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 3H2O = Co(OH)3- + 3H+
-	log_k	-31.491
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 4H2O = Co(OH)4-2 + 4H+
-	log_k	-46.288
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Co+2 + H2O = Co2OH+3 + H+
-	log_k	-10.997
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-4Co+2 + 4H2O = Co4(OH)4+4 + 4H+
-	log_k	-30.488
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2003306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2H2O = CoOOH- + 3H+
-	log_k	-32.0915
-	delta_h	260.454	kJ
-	-gamma	0	0
-		#                  Id:	2003305
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Co+3 + H2O = CoOH+2 + H+
-	log_k	-1.291
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2013300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Fe+2 + H2O = FeOH+ + H+
-	log_k	-9.397
-	delta_h	55.81	kJ
-	-gamma	5	0
-		#                  Id:	2803300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
-	log_k	-20.494
-	delta_h	119.62	kJ
-	-gamma	0	0
-		#                  Id:	2803302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
-	log_k	-28.991
-	delta_h	126.43	kJ
-	-gamma	5	0
-		#                  Id:	2803301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + H2O = FeOH+2 + H+
-	log_k	-2.187
-	delta_h	41.81	kJ
-	-gamma	5	0
-		#                  Id:	2813300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2H2O = Fe(OH)2+ + 2H+
-	log_k	-4.594
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	2813301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 3H2O = Fe(OH)3 + 3H+
-	log_k	-12.56
-	delta_h	103.8	kJ
-	-gamma	0	0
-		#                  Id:	2813302
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 4H2O = Fe(OH)4- + 4H+
-	log_k	-21.588
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	2813303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
-	log_k	-2.854
-	delta_h	57.62	kJ
-	-gamma	0	0
-		#                  Id:	2813304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
-	log_k	-6.288
-	delta_h	65.24	kJ
-	-gamma	0	0
-		#                  Id:	2813305
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + H2O = MnOH+ + H+
-	log_k	-10.597
-	delta_h	55.81	kJ
-	-gamma	5	0
-		#                  Id:	4703300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
-	log_k	-34.8
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4703301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Mn+2 + 4H2O = Mn(OH)4-2 + 4H+
-	log_k	-48.288
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4703302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
-	log_k	-127.794
-	delta_h	822.67	kJ
-	-gamma	3	0
-		#                  Id:	4700020
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
-	log_k	-118.422
-	delta_h	711.07	kJ
-	-gamma	5	0
-		#                  Id:	4700021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
-	log_k	5.9118
-	delta_h	-77.91	kJ
-	-gamma	0	0
-		#                  Id:	2113301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + H2O = Cr(OH)3 + H+
-	log_k	-8.4222
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2113302
-		#        log K source:	SCD3.02 (1983 RCa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
-	log_k	-17.8192
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2113303
-		#        log K source:	SCD3.02 (1983 RCa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ = CrO2- + 2H+
-	log_k	-17.7456
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2113304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-V+2 + H2O = VOH+ + H+
-	log_k	-6.487
-	delta_h	59.81	kJ
-	-gamma	0	0
-		#                  Id:	9003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-V+3 + H2O = VOH+2 + H+
-	log_k	-2.297
-	delta_h	43.81	kJ
-	-gamma	0	0
-		#                  Id:	9013300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-V+3 + 2H2O = V(OH)2+ + 2H+
-	log_k	-6.274
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9013301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-V+3 + 3H2O = V(OH)3 + 3H+
-	log_k	-3.0843
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9013302
-		#        log K source:	SCD3.02 (1978 TKa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-2V+3 + 2H2O = V2(OH)2+4 + 2H+
-	log_k	-3.794
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9013304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2V+3 + 3H2O = V2(OH)3+3 + 3H+
-	log_k	-10.1191
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9013303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-VO+2 + 2H2O = V(OH)3+ + H+
-	log_k	-5.697
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9023300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2VO+2 + 2H2O = H2V2O4+2 + 2H+
-	log_k	-6.694
-	delta_h	53.62	kJ
-	-gamma	0	0
-		#                  Id:	9023301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-U+4 + H2O = UOH+3 + H+
-	log_k	-0.597
-	delta_h	47.81	kJ
-	-gamma	0	0
-		#                  Id:	8913300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-U+4 + 2H2O = U(OH)2+2 + 2H+
-	log_k	-2.27
-	delta_h	74.1823	kJ
-	-gamma	0	0
-		#                  Id:	8913301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 3H2O = U(OH)3+ + 3H+
-	log_k	-4.935
-	delta_h	94.7467	kJ
-	-gamma	0	0
-		#                  Id:	8913302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 4H2O = U(OH)4 + 4H+
-	log_k	-8.498
-	delta_h	103.596	kJ
-	-gamma	0	0
-		#                  Id:	8913303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 5H2O = U(OH)5- + 5H+
-	log_k	-13.12
-	delta_h	115.374	kJ
-	-gamma	0	0
-		#                  Id:	8913304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-6U+4 + 15H2O = U6(OH)15+9 + 15H+
-	log_k	-17.155
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8913305
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + H2O = UO2OH+ + H+
-	log_k	-5.897
-	delta_h	47.81	kJ
-	-gamma	0	0
-		#                  Id:	8933300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
-	log_k	-5.574
-	delta_h	41.82	kJ
-	-gamma	0	0
-		#                  Id:	8933301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
-	log_k	-15.585
-	delta_h	108.05	kJ
-	-gamma	0	0
-		#                  Id:	8933302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Be+2 + H2O = BeOH+ + H+
-	log_k	-5.397
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Be+2 + 2H2O = Be(OH)2 + 2H+
-	log_k	-13.594
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Be+2 + 3H2O = Be(OH)3- + 3H+
-	log_k	-23.191
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Be+2 + 4H2O = Be(OH)4-2 + 4H+
-	log_k	-37.388
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2Be+2 + H2O = Be2OH+3 + H+
-	log_k	-3.177
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103305
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-3Be+2 + 3H2O = Be3(OH)3+3 + 3H+
-	log_k	-8.8076
-	delta_h	0	kJ
-	-gamma	6.5	0
-		#                  Id:	1103306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + H2O = MgOH+ + H+
-	log_k	-11.397
-	delta_h	67.81	kJ
-	-gamma	6.5	0
-		#                  Id:	4603300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + H2O = CaOH+ + H+
-	log_k	-12.697
-	delta_h	64.11	kJ
-	-gamma	6	0
-		#                  Id:	1503300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + H2O = SrOH+ + H+
-	log_k	-13.177
-	delta_h	60.81	kJ
-	-gamma	5	0
-		#                  Id:	8003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + H2O = BaOH+ + H+
-	log_k	-13.357
-	delta_h	60.81	kJ
-	-gamma	5	0
-		#                  Id:	1003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-H+ + F- = HF
-	log_k	3.17
-	delta_h	13.3	kJ
-	-gamma	0	0
-		#                  Id:	3302700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-H+ + 2F- = HF2-
-	log_k	3.75
-	delta_h	17.4	kJ
-	-gamma	3.5	0
-		#                  Id:	3302701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-2F- + 2H+ = H2F2
-	log_k	6.768
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3302702
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sb(OH)3 + F- + H+ = SbOF + 2H2O
-	log_k	6.1864
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7402700
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
-	log_k	6.1937
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7402702
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
-	log_k	30.18
-	delta_h	-68	kJ
-	-gamma	5	0
-		#                  Id:	7702700
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O
-	log_k	11.582
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7902701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O
-	log_k	14.386
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7902702
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O
-	log_k	17.206
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7902703
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O
-	log_k	33.5844
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7912701
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Pb+2 + F- = PbF+
-	log_k	1.848
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6002700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Pb+2 + 2F- = PbF2
-	log_k	3.142
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6002701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Pb+2 + 3F- = PbF3-
-	log_k	3.42
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6002702
-		#        log K source:	SCD3.02 (1956 TKa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4F- = PbF4-2
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6002703
-		#        log K source:	SCD3.02 (1956 TKa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-H3BO3 + 3H+ + 4F- = BF4- + 3H2O
-	log_k	19.912
-	delta_h	-18.67	kJ
-	-gamma	2.5	0
-		#                  Id:	902703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 1.00 25.0
-Al+3 + F- = AlF+2
-	log_k	7
-	delta_h	4.6	kJ
-	-gamma	5.4	0
-		#                  Id:	302700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 2F- = AlF2+
-	log_k	12.6
-	delta_h	8.3	kJ
-	-gamma	5.4	0
-		#                  Id:	302701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 3F- = AlF3
-	log_k	16.7
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	302702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 4F- = AlF4-
-	log_k	19.4
-	delta_h	8.7	kJ
-	-gamma	4.5	0
-		#                  Id:	302703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + F- = TlF
-	log_k	0.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8702700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + F- = ZnF+
-	log_k	1.3
-	delta_h	11	kJ
-	-gamma	0	0
-		#                  Id:	9502700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + F- = CdF+
-	log_k	1.2
-	delta_h	5	kJ
-	-gamma	0	0
-		#                  Id:	1602700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2F- = CdF2
-	log_k	1.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1602701
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O
-	log_k	7.763
-	delta_h	-35.72	kJ
-	-gamma	0	0
-		#                  Id:	3612701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Cu+2 + F- = CuF+
-	log_k	1.8
-	delta_h	13	kJ
-	-gamma	0	0
-		#                  Id:	2312700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + F- = AgF
-	log_k	0.4
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	202700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + F- = NiF+
-	log_k	1.4
-	delta_h	7.1	kJ
-	-gamma	0	0
-		#                  Id:	5402700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + F- = CoF+
-	log_k	1.5
-	delta_h	9.2	kJ
-	-gamma	0	0
-		#                  Id:	2002700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + F- = FeF+2
-	log_k	6.04
-	delta_h	10	kJ
-	-gamma	5	0
-		#                  Id:	2812700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2F- = FeF2+
-	log_k	10.4675
-	delta_h	17	kJ
-	-gamma	5	0
-		#                  Id:	2812701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Fe+3 + 3F- = FeF3
-	log_k	13.617
-	delta_h	29	kJ
-	-gamma	0	0
-		#                  Id:	2812702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Mn+2 + F- = MnF+
-	log_k	1.6
-	delta_h	11	kJ
-	-gamma	5	0
-		#                  Id:	4702700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O
-	log_k	14.7688
-	delta_h	-70.2452	kJ
-	-gamma	0	0
-		#                  Id:	2112700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-VO+2 + F- = VOF+
-	log_k	3.778
-	delta_h	7.9	kJ
-	-gamma	0	0
-		#                  Id:	9022700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-VO+2 + 2F- = VOF2
-	log_k	6.352
-	delta_h	14	kJ
-	-gamma	0	0
-		#                  Id:	9022701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-VO+2 + 3F- = VOF3-
-	log_k	7.902
-	delta_h	20	kJ
-	-gamma	0	0
-		#                  Id:	9022702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-VO+2 + 4F- = VOF4-2
-	log_k	8.508
-	delta_h	26	kJ
-	-gamma	0	0
-		#                  Id:	9022703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-VO2+ + F- = VO2F
-	log_k	3.244
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9032700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-VO2+ + 2F- = VO2F2-
-	log_k	5.804
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9032701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-VO2+ + 3F- = VO2F3-2
-	log_k	6.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9032702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-VO2+ + 4F- = VO2F4-3
-	log_k	6.592
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9032703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-U+4 + F- = UF+3
-	log_k	9.3
-	delta_h	21.1292	kJ
-	-gamma	0	0
-		#                  Id:	8912700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-U+4 + 2F- = UF2+2
-	log_k	16.4
-	delta_h	30.1248	kJ
-	-gamma	0	0
-		#                  Id:	8912701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-U+4 + 3F- = UF3+
-	log_k	21.6
-	delta_h	29.9156	kJ
-	-gamma	0	0
-		#                  Id:	8912702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-U+4 + 4F- = UF4
-	log_k	23.64
-	delta_h	19.2464	kJ
-	-gamma	0	0
-		#                  Id:	8912703
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 5F- = UF5-
-	log_k	25.238
-	delta_h	20.2924	kJ
-	-gamma	0	0
-		#                  Id:	8912704
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 6F- = UF6-2
-	log_k	27.718
-	delta_h	13.8072	kJ
-	-gamma	0	0
-		#                  Id:	8912705
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + F- = UO2F+
-	log_k	5.14
-	delta_h	1	kJ
-	-gamma	0	0
-		#                  Id:	8932700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2F- = UO2F2
-	log_k	8.6
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	8932701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 3F- = UO2F3-
-	log_k	11
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	8932702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 4F- = UO2F4-2
-	log_k	11.9
-	delta_h	0.4	kJ
-	-gamma	0	0
-		#                  Id:	8932703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Be+2 + F- = BeF+
-	log_k	5.249
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1102701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Be+2 + 2F- = BeF2
-	log_k	9.1285
-	delta_h	-4	kJ
-	-gamma	0	0
-		#                  Id:	1102702
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Be+2 + 3F- = BeF3-
-	log_k	11.9085
-	delta_h	-8	kJ
-	-gamma	0	0
-		#                  Id:	1102703
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Mg+2 + F- = MgF+
-	log_k	2.05
-	delta_h	13	kJ
-	-gamma	4.5	0
-		#                  Id:	4602700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + F- = CaF+
-	log_k	1.038
-	delta_h	14	kJ
-	-gamma	5	0
-		#                  Id:	1502700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-Sr+2 + F- = SrF+
-	log_k	0.548
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	8002701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 1.00 25.0
-Na+ + F- = NaF
-	log_k	-0.2
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	5002700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O
-	log_k	8.734
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O
-	log_k	9.524
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O
-	log_k	8.3505
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 2.00 25.0
-Pb+2 + Cl- = PbCl+
-	log_k	1.55
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	6001800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Cl- = PbCl2
-	log_k	2.2
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	6001801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 3Cl- = PbCl3-
-	log_k	1.8
-	delta_h	4	kJ
-	-gamma	0	0
-		#                  Id:	6001802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4Cl- = PbCl4-2
-	log_k	1.46
-	delta_h	14.7695	kJ
-	-gamma	0	0
-		#                  Id:	6001803
-		#        log K source:	SCD3.02 (1984 SEa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Tl+ + Cl- = TlCl
-	log_k	0.51
-	delta_h	-6.2	kJ
-	-gamma	0	0
-		#                  Id:	8701800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + 2Cl- = TlCl2-
-	log_k	0.28
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8701801
-		#        log K source:	SCD3.02 (1992 RAb)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O
-	log_k	11.011
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O
-	log_k	16.771
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O
-	log_k	19.791
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O
-	log_k	21.591
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
-	log_k	10.629
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + Cl- = ZnCl+
-	log_k	0.4
-	delta_h	5.4	kJ
-	-gamma	4	0
-		#                  Id:	9501800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Cl- = ZnCl2
-	log_k	0.6
-	delta_h	37	kJ
-	-gamma	0	0
-		#                  Id:	9501801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3Cl- = ZnCl3-
-	log_k	0.5
-	delta_h	39.999	kJ
-	-gamma	4	0
-		#                  Id:	9501802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 4Cl- = ZnCl4-2
-	log_k	0.199
-	delta_h	45.8566	kJ
-	-gamma	5	0
-		#                  Id:	9501803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + H2O + Cl- = ZnOHCl + H+
-	log_k	-7.48
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9501804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cd+2 + Cl- = CdCl+
-	log_k	1.98
-	delta_h	1	kJ
-	-gamma	0	0
-		#                  Id:	1601800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Cl- = CdCl2
-	log_k	2.6
-	delta_h	3	kJ
-	-gamma	0	0
-		#                  Id:	1601801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3Cl- = CdCl3-
-	log_k	2.4
-	delta_h	10	kJ
-	-gamma	0	0
-		#                  Id:	1601802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + H2O + Cl- = CdOHCl + H+
-	log_k	-7.404
-	delta_h	18.2213	kJ
-	-gamma	0	0
-		#                  Id:	1601803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O
-	log_k	13.494
-	delta_h	-62.72	kJ
-	-gamma	0	0
-		#                  Id:	3611800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O
-	log_k	20.194
-	delta_h	-92.42	kJ
-	-gamma	0	0
-		#                  Id:	3611801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O
-	log_k	21.194
-	delta_h	-94.02	kJ
-	-gamma	0	0
-		#                  Id:	3611802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O
-	log_k	21.794
-	delta_h	-100.72	kJ
-	-gamma	0	0
-		#                  Id:	3611803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
-	log_k	25.532
-	delta_h	-135.3	kJ
-	-gamma	0	0
-		#                  Id:	3611804
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + H+ + Cl- = HgClOH + H2O
-	log_k	10.444
-	delta_h	-42.72	kJ
-	-gamma	0	0
-		#                  Id:	3611805
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-Cu+2 + Cl- = CuCl+
-	log_k	0.2
-	delta_h	8.3	kJ
-	-gamma	4	0
-		#                  Id:	2311800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Cl- = CuCl2
-	log_k	-0.26
-	delta_h	44.183	kJ
-	-gamma	0	0
-		#                  Id:	2311801
-		#        log K source:	SCD3.02 (1989 IPa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3Cl- = CuCl3-
-	log_k	-2.29
-	delta_h	57.279	kJ
-	-gamma	4	0
-		#                  Id:	2311802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+2 + 4Cl- = CuCl4-2
-	log_k	-4.59
-	delta_h	32.5515	kJ
-	-gamma	5	0
-		#                  Id:	2311803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+ + 2Cl- = CuCl2-
-	log_k	5.42
-	delta_h	-1.7573	kJ
-	-gamma	4	0
-		#                  Id:	2301800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+ + 3Cl- = CuCl3-2
-	log_k	4.75
-	delta_h	1.0878	kJ
-	-gamma	5	0
-		#                  Id:	2301801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+ + Cl- = CuCl
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2301802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + Cl- = AgCl
-	log_k	3.31
-	delta_h	-12	kJ
-	-gamma	0	0
-		#                  Id:	201800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Cl- = AgCl2-
-	log_k	5.25
-	delta_h	-16	kJ
-	-gamma	0	0
-		#                  Id:	201801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Cl- = AgCl3-2
-	log_k	5.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 4Cl- = AgCl4-3
-	log_k	5.51
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ni+2 + Cl- = NiCl+
-	log_k	0.408
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	5401800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-Ni+2 + 2Cl- = NiCl2
-	log_k	-1.89
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401801
-		#        log K source:	SCD3.02 (1989 IPa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + Cl- = CoCl+
-	log_k	0.539
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	2001800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Co+3 + Cl- = CoCl+2
-	log_k	2.3085
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	2011800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Fe+3 + Cl- = FeCl+2
-	log_k	1.48
-	delta_h	23	kJ
-	-gamma	5	0
-		#                  Id:	2811800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2Cl- = FeCl2+
-	log_k	2.13
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	2811801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 3Cl- = FeCl3
-	log_k	1.13
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2811802
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + Cl- = MnCl+
-	log_k	0.1
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4701800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 20.0
-Mn+2 + 2Cl- = MnCl2
-	log_k	0.25
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4701801
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + 3Cl- = MnCl3-
-	log_k	-0.31
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4701802
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O
-	log_k	9.6808
-	delta_h	-103.62	kJ
-	-gamma	0	0
-		#                  Id:	2111800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
-	log_k	8.658
-	delta_h	-39.2208	kJ
-	-gamma	0	0
-		#                  Id:	2111801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
-	log_k	2.9627
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2111802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-VO+2 + Cl- = VOCl+
-	log_k	0.448
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9021800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-U+4 + Cl- = UCl+3
-	log_k	1.7
-	delta_h	-20	kJ
-	-gamma	0	0
-		#                  Id:	8911800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + Cl- = UO2Cl+
-	log_k	0.21
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	8931800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Be+2 + Cl- = BeCl+
-	log_k	0.2009
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	1101801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.70 20.0
-Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O
-	log_k	8.254
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O
-	log_k	8.794
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O
-	log_k	7.48
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 3.00 25.0
-Pb+2 + Br- = PbBr+
-	log_k	1.7
-	delta_h	8	kJ
-	-gamma	0	0
-		#                  Id:	6001300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Br- = PbBr2
-	log_k	2.6
-	delta_h	-4	kJ
-	-gamma	0	0
-		#                  Id:	6001301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + Br- = TlBr
-	log_k	0.91
-	delta_h	-12	kJ
-	-gamma	0	0
-		#                  Id:	8701300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + 2Br- = TlBr2-
-	log_k	-0.384
-	delta_h	12.36	kJ
-	-gamma	0	0
-		#                  Id:	8701301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 4.00 25.0
-Tl+ + Br- + Cl- = TlBrCl-
-	log_k	0.8165
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8701302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl+ + I- + Br- = TlIBr-
-	log_k	2.185
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8703802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O
-	log_k	12.803
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O
-	log_k	20.711
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
-	log_k	27.0244
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
-	log_k	31.1533
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8711303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + Br- = ZnBr+
-	log_k	-0.07
-	delta_h	1	kJ
-	-gamma	0	0
-		#                  Id:	9501300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Br- = ZnBr2
-	log_k	-0.98
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9501301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cd+2 + Br- = CdBr+
-	log_k	2.15
-	delta_h	-3	kJ
-	-gamma	0	0
-		#                  Id:	1601300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Br- = CdBr2
-	log_k	3
-	delta_h	-3	kJ
-	-gamma	0	0
-		#                  Id:	1601301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O
-	log_k	15.803
-	delta_h	-81.92	kJ
-	-gamma	0	0
-		#                  Id:	3611301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O
-	log_k	24.2725
-	delta_h	-127.12	kJ
-	-gamma	0	0
-		#                  Id:	3611302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
-	log_k	26.7025
-	delta_h	-138.82	kJ
-	-gamma	0	0
-		#                  Id:	3611303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
-	log_k	27.933
-	delta_h	-153.72	kJ
-	-gamma	0	0
-		#                  Id:	3611304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
-	log_k	22.1811
-	delta_h	-113.77	kJ
-	-gamma	0	0
-		#                  Id:	3611305
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
-	log_k	27.3133
-	delta_h	-151.27	kJ
-	-gamma	0	0
-		#                  Id:	3611306
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
-	log_k	34.2135
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611307
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
-	log_k	32.3994
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611308
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
-	log_k	30.1528
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611309
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + H+ + Br- = HgBrOH + H2O
-	log_k	12.433
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3613301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Ag+ + Br- = AgBr
-	log_k	4.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Br- = AgBr2-
-	log_k	7.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Br- = AgBr3-2
-	log_k	8.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + Br- = NiBr+
-	log_k	0.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
-	log_k	7.5519
-	delta_h	-46.9068	kJ
-	-gamma	0	0
-		#                  Id:	2111300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Be+2 + Br- = BeBr+
-	log_k	0.1009
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	1101301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.70 20.0
-Pb+2 + I- = PbI+
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2I- = PbI2
-	log_k	3.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6003801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Tl+ + I- = TlI
-	log_k	1.4279
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8703800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl+ + 2I- = TlI2-
-	log_k	1.8588
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8703801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
-	log_k	34.7596
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8713800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + I- = ZnI+
-	log_k	-2.0427
-	delta_h	-4	kJ
-	-gamma	0	0
-		#                  Id:	9503800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 3.00 25.0
-Zn+2 + 2I- = ZnI2
-	log_k	-1.69
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9503801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cd+2 + I- = CdI+
-	log_k	2.28
-	delta_h	-9.6	kJ
-	-gamma	0	0
-		#                  Id:	1603800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2I- = CdI2
-	log_k	3.92
-	delta_h	-12	kJ
-	-gamma	0	0
-		#                  Id:	1603801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O
-	log_k	19.603
-	delta_h	-111.22	kJ
-	-gamma	0	0
-		#                  Id:	3613801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O
-	log_k	30.8225
-	delta_h	-182.72	kJ
-	-gamma	0	0
-		#                  Id:	3613802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O
-	log_k	34.6025
-	delta_h	-194.22	kJ
-	-gamma	0	0
-		#                  Id:	3613803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O
-	log_k	36.533
-	delta_h	-220.72	kJ
-	-gamma	0	0
-		#                  Id:	3613804
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Ag+ + I- = AgI
-	log_k	6.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	203800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 18.0
-Ag+ + 2I- = AgI2-
-	log_k	11.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	203801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 18.0
-Ag+ + 3I- = AgI3-2
-	log_k	12.6
-	delta_h	-122	kJ
-	-gamma	0	0
-		#                  Id:	203802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 4I- = AgI4-3
-	log_k	14.229
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	203803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 25.0
-Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
-	log_k	4.8289
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2113800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H+ + HS- = H2S
-	log_k	7.02
-	delta_h	-22	kJ
-	-gamma	0	0
-		#                  Id:	3307300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2HS- = Pb(HS)2
-	log_k	15.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6007300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Pb+2 + 3HS- = Pb(HS)3-
-	log_k	16.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6007301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl+ + HS- = TlHS
-	log_k	2.474
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8707300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-2Tl+ + HS- = Tl2HS+
-	log_k	5.974
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8707301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
-	log_k	1.0044
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8707302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
-	log_k	-11.0681
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8707303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 2HS- = Zn(HS)2
-	log_k	12.82
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507300
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3HS- = Zn(HS)3-
-	log_k	16.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 3HS- = ZnS(HS)2-2 + H+
-	log_k	6.12
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507302
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2HS- + 2HS- = Zn(HS)4-2
-	log_k	14.64
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507303
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2HS- = ZnS(HS)- + H+
-	log_k	6.81
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507304
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + HS- = CdHS+
-	log_k	8.008
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + 2HS- = Cd(HS)2
-	log_k	15.212
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + 3HS- = Cd(HS)3-
-	log_k	17.112
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + 4HS- = Cd(HS)4-2
-	log_k	19.308
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
-	log_k	29.414
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3617300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O
-	log_k	44.516
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3617301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O
-	log_k	38.122
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3617302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-Cu+2 + 3HS- = Cu(HS)3-
-	log_k	25.899
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2317300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + HS- = AgHS
-	log_k	13.8145
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-Ag+ + 2HS- = Ag(HS)2-
-	log_k	17.9145
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-Fe+2 + 2HS- = Fe(HS)2
-	log_k	8.95
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2807300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Fe+2 + 3HS- = Fe(HS)3-
-	log_k	10.987
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2807301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-HS- = S2-2 + H+
-	log_k	-11.7828
-	delta_h	46.4	kJ
-	-gamma	0	0
-	-no_check
-		#                  Id:	7317300
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-HS- = S3-2 + H+
-	log_k	-10.7667
-	delta_h	42.2	kJ
-	-gamma	0	0
-	-no_check
-		#                  Id:	7317301
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-HS- = S4-2 + H+
-	log_k	-9.9608
-	delta_h	39.3	kJ
-	-gamma	0	0
-	-no_check
-		#                  Id:	7317302
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-HS- = S5-2 + H+
-	log_k	-9.3651
-	delta_h	37.6	kJ
-	-gamma	0	0
-	-no_check
-		#                  Id:	7317303
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-HS- = S6-2 + H+
-	log_k	-9.881
-	delta_h	0	kJ
-	-gamma	0	0
-	-no_check
-		#                  Id:	7317304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
-	log_k	49.3886
-	delta_h	-321.78	kJ
-	-gamma	0	0
-		#                  Id:	7407300
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Cu+ + 2HS- = Cu(S4)2-3 + 2H+
-	log_k	3.39
-	delta_h	0	kJ
-	-gamma	23	0
-	-no_check
-		#                  Id:	2307300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+ + 2HS- = CuS4S5-3 + 2H+
-	log_k	2.66
-	delta_h	0	kJ
-	-gamma	25	0
-	-no_check
-		#                  Id:	2307301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = Ag(S4)2-3 + 2H+
-	log_k	0.991
-	delta_h	0	kJ
-	-gamma	22	0
-	-no_check
-		#                  Id:	207302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = AgS4S5-3 + 2H+
-	log_k	0.68
-	delta_h	0	kJ
-	-gamma	24	0
-	-no_check
-		#                  Id:	207303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = Ag(HS)S4-2 + H+
-	log_k	10.431
-	delta_h	0	kJ
-	-gamma	15	0
-	-no_check
-		#                  Id:	207304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H+ + SO4-2 = HSO4-
-	log_k	1.99
-	delta_h	22	kJ
-	-gamma	4.5	0
-		#                  Id:	3307320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-NH4+ + SO4-2 = NH4SO4-
-	log_k	1.03
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4907320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + SO4-2 = PbSO4
-	log_k	2.69
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6007320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2SO4-2 = Pb(SO4)2-2
-	log_k	3.47
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6007321
-		#        log K source:	SCD3.02 (1960 RKa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Al+3 + SO4-2 = AlSO4+
-	log_k	3.89
-	delta_h	28	kJ
-	-gamma	4.5	0
-		#                  Id:	307320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Al+3 + 2SO4-2 = Al(SO4)2-
-	log_k	4.92
-	delta_h	11.9	kJ
-	-gamma	4.5	0
-		#                  Id:	307321
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
-		#T and ionic strength:	 0.00 25.0
-Tl+ + SO4-2 = TlSO4-
-	log_k	1.37
-	delta_h	-0.8	kJ
-	-gamma	0	0
-		#                  Id:	8707320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + SO4-2 = ZnSO4
-	log_k	2.34
-	delta_h	6.2	kJ
-	-gamma	0	0
-		#                  Id:	9507320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
-	log_k	3.28
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507321
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cd+2 + SO4-2 = CdSO4
-	log_k	2.37
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	1607320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
-	log_k	3.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607321
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O
-	log_k	8.612
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3617320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Cu+2 + SO4-2 = CuSO4
-	log_k	2.36
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	2317320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + SO4-2 = AgSO4-
-	log_k	1.3
-	delta_h	6.2	kJ
-	-gamma	0	0
-		#                  Id:	207320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + SO4-2 = NiSO4
-	log_k	2.3
-	delta_h	5.8	kJ
-	-gamma	0	0
-		#                  Id:	5407320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2SO4-2 = Ni(SO4)2-2
-	log_k	0.82
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5407321
-		#        log K source:	SCD3.02 (1978 BLa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + SO4-2 = CoSO4
-	log_k	2.3
-	delta_h	6.2	kJ
-	-gamma	0	0
-		#                  Id:	2007320
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Fe+2 + SO4-2 = FeSO4
-	log_k	2.39
-	delta_h	8	kJ
-	-gamma	0	0
-		#                  Id:	2807320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + SO4-2 = FeSO4+
-	log_k	4.05
-	delta_h	25	kJ
-	-gamma	5	0
-		#                  Id:	2817320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2SO4-2 = Fe(SO4)2-
-	log_k	5.38
-	delta_h	19.2	kJ
-	-gamma	0	0
-		#                  Id:	2817321
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + SO4-2 = MnSO4
-	log_k	2.25
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	4707320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O
-	log_k	12.9371
-	delta_h	-98.62	kJ
-	-gamma	0	0
-		#                  Id:	2117320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 50.0
-Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O
-	log_k	8.2871
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2117321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
-	log_k	16.155
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2117323
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
-	log_k	17.9288
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2117324
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + SO4-2 = USO4+2
-	log_k	6.6
-	delta_h	8	kJ
-	-gamma	0	0
-		#                  Id:	8917320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-U+4 + 2SO4-2 = U(SO4)2
-	log_k	10.5
-	delta_h	33	kJ
-	-gamma	0	0
-		#                  Id:	8917321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + SO4-2 = UO2SO4
-	log_k	3.18
-	delta_h	20	kJ
-	-gamma	0	0
-		#                  Id:	8937320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2SO4-2 = UO2(SO4)2-2
-	log_k	4.3
-	delta_h	38	kJ
-	-gamma	0	0
-		#                  Id:	8937321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-V+3 + SO4-2 = VSO4+
-	log_k	2.674
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9017320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-VO+2 + SO4-2 = VOSO4
-	log_k	2.44
-	delta_h	17	kJ
-	-gamma	0	0
-		#                  Id:	9027320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-VO2+ + SO4-2 = VO2SO4-
-	log_k	1.378
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9037320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-Be+2 + SO4-2 = BeSO4
-	log_k	2.19
-	delta_h	29	kJ
-	-gamma	0	0
-		#                  Id:	1107321
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Be+2 + 2SO4-2 = Be(SO4)2-2
-	log_k	2.596
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1107322
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Mg+2 + SO4-2 = MgSO4
-	log_k	2.26
-	delta_h	5.8	kJ
-	-gamma	0	0
-		#                  Id:	4607320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + SO4-2 = CaSO4
-	log_k	2.36
-	delta_h	7.1	kJ
-	-gamma	0	0
-		#                  Id:	1507320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + SO4-2 = SrSO4
-	log_k	2.3
-	delta_h	8	kJ
-	-gamma	0	0
-		#                  Id:	8007321
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Li+ + SO4-2 = LiSO4-
-	log_k	0.64
-	delta_h	0	kJ
-	-gamma	5	0
-		#                  Id:	4407320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Na+ + SO4-2 = NaSO4-
-	log_k	0.73
-	delta_h	1	kJ
-	-gamma	5.4	0
-		#                  Id:	5007320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-K+ + SO4-2 = KSO4-
-	log_k	0.85
-	delta_h	4.1	kJ
-	-gamma	5.4	0
-		#                  Id:	4107320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-HSe- + H+ = H2Se
-	log_k	3.89
-	delta_h	3.3	kJ
-	-gamma	0	0
-		#                  Id:	3307600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.00 25.0
-2Ag+ + HSe- = Ag2Se + H+
-	log_k	34.911
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+
-	log_k	-20.509
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207601
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Mn+2 + HSe- = MnSe + H+
-	log_k	-5.385
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4707600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-HSeO3- = SeO3-2 + H+
-	log_k	-8.4
-	delta_h	5.02	kJ
-	-gamma	0	0
-		#                  Id:	3307611
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-HSeO3- + H+ = H2SeO3
-	log_k	2.63
-	delta_h	6.2	kJ
-	-gamma	0	0
-		#                  Id:	3307610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+
-	log_k	-10.884
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607610
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Ag+ + HSeO3- = AgSeO3- + H+
-	log_k	-5.592
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+
-	log_k	-13.04
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	207611
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Fe+3 + HSeO3- = FeHSeO3+2
-	log_k	3.422
-	delta_h	25	kJ
-	-gamma	0	0
-		#                  Id:	2817610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-SeO4-2 + H+ = HSeO4-
-	log_k	1.7
-	delta_h	23	kJ
-	-gamma	0	0
-		#                  Id:	3307620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + SeO4-2 = ZnSeO4
-	log_k	2.19
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2SeO4-2 = Zn(SeO4)2-2
-	log_k	2.196
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9507621
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + SeO4-2 = CdSeO4
-	log_k	2.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1607620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + SeO4-2 = NiSeO4
-	log_k	2.67
-	delta_h	14	kJ
-	-gamma	0	0
-		#                  Id:	5407620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + SeO4-2 = CoSeO4
-	log_k	2.7
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	2007621
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + SeO4-2 = MnSeO4
-	log_k	2.43
-	delta_h	14	kJ
-	-gamma	0	0
-		#                  Id:	4707620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-NH4+ = NH3 + H+
-	log_k	-9.244
-	delta_h	-52	kJ
-	-gamma	0	0
-		#                  Id:	3304900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + NH4+ = AgNH3+ + H+
-	log_k	-5.934
-	delta_h	-72	kJ
-	-gamma	0	0
-		#                  Id:	204901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+
-	log_k	-11.268
-	delta_h	-160	kJ
-	-gamma	0	0
-		#                  Id:	204902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O
-	log_k	5.75
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3614900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 22.0
-Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
-	log_k	5.506
-	delta_h	-246.72	kJ
-	-gamma	0	0
-		#                  Id:	3614901
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+
-	log_k	-3.138
-	delta_h	-312.72	kJ
-	-gamma	0	0
-		#                  Id:	3614902
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 2.00 25.0
-Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+
-	log_k	-11.482
-	delta_h	-379.72	kJ
-	-gamma	0	0
-		#                  Id:	3614903
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.10 25.0
-Cu+2 + NH4+ = CuNH3+2 + H+
-	log_k	-5.234
-	delta_h	-72	kJ
-	-gamma	0	0
-		#                  Id:	2314901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + NH4+ = NiNH3+2 + H+
-	log_k	-6.514
-	delta_h	-67	kJ
-	-gamma	0	0
-		#                  Id:	5404901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+
-	log_k	-13.598
-	delta_h	-111.6	kJ
-	-gamma	0	0
-		#                  Id:	5404902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + NH4+ = Co(NH3)+2 + H+
-	log_k	-7.164
-	delta_h	-65	kJ
-	-gamma	0	0
-		#                  Id:	2004900
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+
-	log_k	-14.778
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 25.0
-Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+
-	log_k	-22.922
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 25.0
-Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+
-	log_k	-31.446
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004903
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 30.0
-Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+
-	log_k	-40.47
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004904
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 2.00 30.0
-Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+
-	log_k	-43.7148
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2014901
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+
-	log_k	-17.9584
-	delta_h	113.38	kJ
-	-gamma	0	0
-		#                  Id:	2014902
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+
-	log_k	-33.9179
-	delta_h	104.34	kJ
-	-gamma	0	0
-		#                  Id:	2014903
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+
-	log_k	-33.8884
-	delta_h	110.57	kJ
-	-gamma	0	0
-		#                  Id:	2014904
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+
-	log_k	-33.4808
-	delta_h	115.44	kJ
-	-gamma	0	0
-		#                  Id:	2014905
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+
-	log_k	-28.9926
-	delta_h	124.5	kJ
-	-gamma	0	0
-		#                  Id:	2014906
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+
-	log_k	-32.8952
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2114900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 4.50 25.0
-Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
-	log_k	-30.2759
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2114901
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
-	log_k	-31.7932
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2114904
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
-	log_k	-31.887
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2114905
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
-	log_k	-32.008
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2114906
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-#Cr(OH)2+ + 4NH4+ = cis+ + 4H+
-#	log_k	-29.8574
-#	delta_h	0	kJ
-#	-gamma	0	0
-#		#                  Id:	4902113
-#		#        log K source:	MTQ3.11                       
-#		#      Delta H source:	MTQ3.11                       
-#		#T and ionic strength:	          
-#Cr(OH)2+ + 4NH4+ = trans+ + 4H+
-#	log_k	-30.5537
-#	delta_h	0	kJ
-#	-gamma	0	0
-#		#                  Id:	4902114
-#		#        log K source:	MTQ3.11                       
-#		#      Delta H source:	MTQ3.11                       
-#		#T and ionic strength:	          
-Ca+2 + NH4+ = CaNH3+2 + H+
-	log_k	-9.144
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1504901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+
-	log_k	-18.788
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1504902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Sr+2 + NH4+ = SrNH3+2 + H+
-	log_k	-9.344
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Ba+2 + NH4+ = BaNH3+2 + H+
-	log_k	-9.444
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Tl+ + NO2- = TlNO2
-	log_k	0.83
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8704910
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + NO2- = AgNO2
-	log_k	2.32
-	delta_h	-29	kJ
-	-gamma	0	0
-		#                  Id:	204911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2NO2- = Ag(NO2)2-
-	log_k	2.51
-	delta_h	-46	kJ
-	-gamma	0	0
-		#                  Id:	204910
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + NO2- = CuNO2+
-	log_k	2.02
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2314911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2NO2- = Cu(NO2)2
-	log_k	3.03
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2314912
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + NO2- = CoNO2+
-	log_k	0.848
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O
-	log_k	7.942
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7904921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Pb+2 + NO3- = PbNO3+
-	log_k	1.17
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	6004920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2NO3- = Pb(NO3)2
-	log_k	1.4
-	delta_h	-6.6	kJ
-	-gamma	0	0
-		#                  Id:	6004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + NO3- = TlNO3
-	log_k	0.33
-	delta_h	-2	kJ
-	-gamma	0	0
-		#                  Id:	8704920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
-	log_k	7.0073
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8714920
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cd+2 + NO3- = CdNO3+
-	log_k	0.5
-	delta_h	-21	kJ
-	-gamma	0	0
-		#                  Id:	1604920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2NO3- = Cd(NO3)2
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1604921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O
-	log_k	5.7613
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3614920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O
-	log_k	5.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3614921
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Cu+2 + NO3- = CuNO3+
-	log_k	0.5
-	delta_h	-4.1	kJ
-	-gamma	0	0
-		#                  Id:	2314921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2NO3- = Cu(NO3)2
-	log_k	-0.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2314922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + NO3- = ZnNO3+
-	log_k	0.4
-	delta_h	-4.6	kJ
-	-gamma	0	0
-		#                  Id:	9504921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2NO3- = Zn(NO3)2
-	log_k	-0.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9504922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ag+ + NO3- = AgNO3
-	log_k	-0.1
-	delta_h	22.6	kJ
-	-gamma	0	0
-		#                  Id:	204920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + NO3- = NiNO3+
-	log_k	0.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5404921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + NO3- = CoNO3+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2NO3- = Co(NO3)2
-	log_k	0.5085
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2004922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Fe+3 + NO3- = FeNO3+2
-	log_k	1
-	delta_h	-37	kJ
-	-gamma	0	0
-		#                  Id:	2814921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + NO3- = MnNO3+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4704921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + 2NO3- = Mn(NO3)2
-	log_k	0.6
-	delta_h	-1.6569	kJ
-	-gamma	0	0
-		#                  Id:	4704920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
-	log_k	8.2094
-	delta_h	-65.4378	kJ
-	-gamma	0	0
-		#                  Id:	2114920
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + NO3- = UO2NO3+
-	log_k	0.3
-	delta_h	-12	kJ
-	-gamma	0	0
-		#                  Id:	8934921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-VO2+ + NO3- = VO2NO3
-	log_k	-0.296
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9034920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 20.0
-Ca+2 + NO3- = CaNO3+
-	log_k	0.5
-	delta_h	-5.4	kJ
-	-gamma	0	0
-		#                  Id:	1504921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + NO3- = SrNO3+
-	log_k	0.6
-	delta_h	-10	kJ
-	-gamma	0	0
-		#                  Id:	8004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + NO3- = BaNO3+
-	log_k	0.7
-	delta_h	-13	kJ
-	-gamma	0	0
-		#                  Id:	1004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H+ + Cyanide- = HCyanide
-	log_k	9.21
-	delta_h	-43.63	kJ
-	-gamma	0	0
-		#                  Id:	3301431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + Cyanide- = CdCyanide+
-	log_k	6.01
-	delta_h	-30	kJ
-	-gamma	0	0
-		#                  Id:	1601431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Cyanide- = Cd(Cyanide)2
-	log_k	11.12
-	delta_h	-54.3	kJ
-	-gamma	0	0
-		#                  Id:	1601432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3Cyanide- = Cd(Cyanide)3-
-	log_k	15.65
-	delta_h	-90.3	kJ
-	-gamma	0	0
-		#                  Id:	1601433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 4Cyanide- = Cd(Cyanide)4-2
-	log_k	17.92
-	delta_h	-112	kJ
-	-gamma	0	0
-		#                  Id:	1601434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O
-	log_k	23.194
-	delta_h	-136.72	kJ
-	-gamma	0	0
-		#                  Id:	3611431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O
-	log_k	38.944
-	delta_h	154.28	kJ
-	-gamma	0	0
-		#                  Id:	3611432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O
-	log_k	42.504
-	delta_h	-262.72	kJ
-	-gamma	0	0
-		#                  Id:	3611433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O
-	log_k	45.164
-	delta_h	-288.72	kJ
-	-gamma	0	0
-		#                  Id:	3611434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+ + 2Cyanide- = Cu(Cyanide)2-
-	log_k	21.9145
-	delta_h	-121	kJ
-	-gamma	0	0
-		#                  Id:	2301432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Cu+ + 3Cyanide- = Cu(Cyanide)3-2
-	log_k	27.2145
-	delta_h	-167.4	kJ
-	-gamma	0	0
-		#                  Id:	2301433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+ + 4Cyanide- = Cu(Cyanide)4-3
-	log_k	28.7145
-	delta_h	-214.2	kJ
-	-gamma	0	0
-		#                  Id:	2301431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Cyanide- = Ag(Cyanide)2-
-	log_k	20.48
-	delta_h	-137	kJ
-	-gamma	0	0
-		#                  Id:	201432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Cyanide- = Ag(Cyanide)3-2
-	log_k	21.7
-	delta_h	-140	kJ
-	-gamma	0	0
-		#                  Id:	201433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+
-	log_k	-0.777
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	201431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 4Cyanide- = Ni(Cyanide)4-2
-	log_k	30.2
-	delta_h	-180	kJ
-	-gamma	0	0
-		#                  Id:	5401431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4-
-	log_k	36.0289
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4
-	log_k	40.7434
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+
-	log_k	43.3434
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 3Cyanide- = Co(Cyanide)3-
-	log_k	14.312
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 1.00 25.0
-Co+2 + 5Cyanide- = Co(Cyanide)5-3
-	log_k	23
-	delta_h	-257	kJ
-	-gamma	0	0
-		#                  Id:	2001432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 1.00 25.0
-Fe+2 + 6Cyanide- = Fe(Cyanide)6-4
-	log_k	35.4
-	delta_h	-358	kJ
-	-gamma	0	0
-		#                  Id:	2801431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3
-	log_k	39.71
-	delta_h	-356	kJ
-	-gamma	0	0
-		#                  Id:	2801432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2
-	log_k	42.11
-	delta_h	-352	kJ
-	-gamma	0	0
-		#                  Id:	2801433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 6Cyanide- = Fe(Cyanide)6-3
-	log_k	43.6
-	delta_h	-293	kJ
-	-gamma	0	0
-		#                  Id:	2811431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-2Fe+3 + 6Cyanide- = Fe2(Cyanide)6
-	log_k	47.6355
-	delta_h	-218	kJ
-	-gamma	0	0
-		#                  Id:	2811432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O
-	log_k	53.54
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7901431
-		#        log K source:	Ba1987                        
-		#      Delta H source:	                              
-		#T and ionic strength:	 0.00 25.0
-NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
-	log_k	37.7
-	delta_h	-354	kJ
-	-gamma	0	0
-		#                  Id:	4901431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3
-	log_k	38.4
-	delta_h	-365.5	kJ
-	-gamma	0	0
-		#                  Id:	8701432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6-
-	log_k	46.39
-	delta_h	-290	kJ
-	-gamma	0	0
-		#                  Id:	4601431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2
-	log_k	39.21
-	delta_h	-346	kJ
-	-gamma	0	0
-		#                  Id:	4601432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6-
-	log_k	46.43
-	delta_h	-291	kJ
-	-gamma	0	0
-		#                  Id:	1501431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2
-	log_k	39.1
-	delta_h	-347	kJ
-	-gamma	0	0
-		#                  Id:	1501432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6
-	log_k	40.6
-	delta_h	-350.201	kJ
-	-gamma	0	0
-		#                  Id:	1501433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
-	log_k	46.45
-	delta_h	-292	kJ
-	-gamma	0	0
-		#                  Id:	8001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2
-	log_k	39.1
-	delta_h	-350	kJ
-	-gamma	0	0
-		#                  Id:	8001432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2
-	log_k	39.19
-	delta_h	-342	kJ
-	-gamma	0	0
-		#                  Id:	1001430
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
-	log_k	46.48
-	delta_h	-292	kJ
-	-gamma	0	0
-		#                  Id:	1001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
-	log_k	37.6
-	delta_h	-354	kJ
-	-gamma	0	0
-		#                  Id:	5001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
-	log_k	37.75
-	delta_h	-353.9	kJ
-	-gamma	0	0
-		#                  Id:	4101433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2
-	log_k	45.04
-	delta_h	-291	kJ
-	-gamma	0	0
-		#                  Id:	4101430
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H+ + PO4-3 = HPO4-2
-	log_k	12.375
-	delta_h	-15	kJ
-	-gamma	5	0
-		#                  Id:	3305800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-2H+ + PO4-3 = H2PO4-
-	log_k	19.573
-	delta_h	-18	kJ
-	-gamma	5.4	0
-		#                  Id:	3305801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-3H+ + PO4-3 = H3PO4
-	log_k	21.721
-	delta_h	-10.1	kJ
-	-gamma	0	0
-		#                  Id:	3305802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + H+ + PO4-3 = CoHPO4
-	log_k	15.4128
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2005800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Fe+2 + 2H+ + PO4-3 = FeH2PO4+
-	log_k	22.273
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	2805800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Fe+2 + H+ + PO4-3 = FeHPO4
-	log_k	15.975
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2805801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2H+ + PO4-3 = FeH2PO4+2
-	log_k	23.8515
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	2815801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Fe+3 + H+ + PO4-3 = FeHPO4+
-	log_k	22.292
-	delta_h	-30.5432	kJ
-	-gamma	5.4	0
-		#                  Id:	2815800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
-	log_k	31.9068
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2115800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + PO4-3 + H+ = UHPO4+2
-	log_k	24.443
-	delta_h	31.38	kJ
-	-gamma	0	0
-		#                  Id:	8915800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 2PO4-3 + 2H+ = U(HPO4)2
-	log_k	46.833
-	delta_h	7.1128	kJ
-	-gamma	0	0
-		#                  Id:	8915801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
-	log_k	67.564
-	delta_h	-32.6352	kJ
-	-gamma	0	0
-		#                  Id:	8915802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
-	log_k	88.483
-	delta_h	-110.876	kJ
-	-gamma	0	0
-		#                  Id:	8915803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + H+ + PO4-3 = UO2HPO4
-	log_k	19.655
-	delta_h	-8.7864	kJ
-	-gamma	0	0
-		#                  Id:	8935800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
-	log_k	42.988
-	delta_h	-47.6934	kJ
-	-gamma	0	0
-		#                  Id:	8935801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 2H+ + PO4-3 = UO2H2PO4+
-	log_k	22.833
-	delta_h	-15.4808	kJ
-	-gamma	0	0
-		#                  Id:	8935802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
-	log_k	44.7
-	delta_h	-69.036	kJ
-	-gamma	0	0
-		#                  Id:	8935803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
-	log_k	66.245
-	delta_h	-119.662	kJ
-	-gamma	0	0
-		#                  Id:	8935804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + PO4-3 = UO2PO4-
-	log_k	13.25
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8935805
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mg+2 + PO4-3 = MgPO4-
-	log_k	4.654
-	delta_h	12.9704	kJ
-	-gamma	5.4	0
-		#                  Id:	4605800
-		#        log K source:	SCD3.02 (1993 GMa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.20 25.0
-Mg+2 + 2H+ + PO4-3 = MgH2PO4+
-	log_k	21.2561
-	delta_h	-4.6861	kJ
-	-gamma	5.4	0
-		#                  Id:	4605801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 37.0
-Mg+2 + H+ + PO4-3 = MgHPO4
-	log_k	15.175
-	delta_h	-3	kJ
-	-gamma	0	0
-		#                  Id:	4605802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + H+ + PO4-3 = CaHPO4
-	log_k	15.035
-	delta_h	-3	kJ
-	-gamma	0	0
-		#                  Id:	1505800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + PO4-3 = CaPO4-
-	log_k	6.46
-	delta_h	12.9704	kJ
-	-gamma	5.4	0
-		#                  Id:	1505801
-		#        log K source:	SCD3.02 (1993 GMa)            
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + 2H+ + PO4-3 = CaH2PO4+
-	log_k	20.923
-	delta_h	-6	kJ
-	-gamma	5.4	0
-		#                  Id:	1505802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + H+ + PO4-3 = SrHPO4
-	log_k	14.8728
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8005800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + 2H+ + PO4-3 = SrH2PO4+
-	log_k	20.4019
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8005801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-Na+ + H+ + PO4-3 = NaHPO4-
-	log_k	13.445
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	5005800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-K+ + H+ + PO4-3 = KHPO4-
-	log_k	13.255
-	delta_h	0	kJ
-	-gamma	5.4	0
-		#                  Id:	4105800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-H3AsO3 = AsO3-3 + 3H+
-	log_k	-34.744
-	delta_h	84.726	kJ
-	-gamma	0	0
-		#                  Id:	3300602
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3AsO3 = HAsO3-2 + 2H+
-	log_k	-21.33
-	delta_h	59.4086	kJ
-	-gamma	0	0
-		#                  Id:	3300601
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3AsO3 = H2AsO3- + H+
-	log_k	-9.29
-	delta_h	27.41	kJ
-	-gamma	0	0
-		#                  Id:	3300600
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.00 25.0
-H3AsO3 + H+ = H4AsO3+
-	log_k	-0.305
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3300603
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3AsO4 = AsO4-3 + 3H+
-	log_k	-20.7
-	delta_h	12.9	kJ
-	-gamma	0	0
-		#                  Id:	3300613
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H3AsO4 = HAsO4-2 + 2H+
-	log_k	-9.2
-	delta_h	-4.1	kJ
-	-gamma	0	0
-		#                  Id:	3300612
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H3AsO4 = H2AsO4- + H+
-	log_k	-2.24
-	delta_h	-7.1	kJ
-	-gamma	0	0
-		#                  Id:	3300611
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sb(OH)3 + H2O = Sb(OH)4- + H+
-	log_k	-12.0429
-	delta_h	69.8519	kJ
-	-gamma	0	0
-		#                  Id:	7400020
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)3 + H+ = Sb(OH)2+ + H2O
-	log_k	1.3853
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7403302
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)3 = HSbO2 + H2O
-	log_k	-0.0105
-	delta_h	-0.13	kJ
-	-gamma	0	0
-		#                  Id:	7400021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Sb(OH)3 = SbO2- + H2O + H+
-	log_k	-11.8011
-	delta_h	70.1866	kJ
-	-gamma	0	0
-		#                  Id:	7403301
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)3 + H+ = SbO+ + 2H2O
-	log_k	0.9228
-	delta_h	8.2425	kJ
-	-gamma	0	0
-		#                  Id:	7403300
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)6- = SbO3- + 3H2O
-	log_k	2.9319
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7410021
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)6- + 2H+ = SbO2+ + 4H2O
-	log_k	2.3895
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7413300
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-H+ + CO3-2 = HCO3-
-	log_k	10.329
-	delta_h	-14.6	kJ
-	-gamma	5.4	0
-		#                  Id:	3301400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-2H+ + CO3-2 = H2CO3
-	log_k	16.681
-	delta_h	-23.76	kJ
-	-gamma	0	0
-		#                  Id:	3301401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2CO3-2 = Pb(CO3)2-2
-	log_k	9.938
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6001400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Pb+2 + CO3-2 = PbCO3
-	log_k	6.478
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6001401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Pb+2 + CO3-2 + H+ = PbHCO3+
-	log_k	13.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6001402
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + CO3-2 = ZnCO3
-	log_k	4.76
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9501401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + H+ + CO3-2 = ZnHCO3+
-	log_k	11.829
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9501400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O
-	log_k	18.272
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O
-	log_k	21.772
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611402
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O
-	log_k	22.542
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3611403
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Cd+2 + CO3-2 = CdCO3
-	log_k	4.3578
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1601401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-Cd+2 + H+ + CO3-2 = CdHCO3+
-	log_k	10.6863
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1601400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
-	log_k	7.2278
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1601403
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-Cu+2 + CO3-2 = CuCO3
-	log_k	6.77
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2311400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + H+ + CO3-2 = CuHCO3+
-	log_k	12.129
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2311402
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
-	log_k	10.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2311401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + CO3-2 = NiCO3
-	log_k	4.5718
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.70 25.0
-Ni+2 + H+ + CO3-2 = NiHCO3+
-	log_k	12.4199
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5401400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.70 25.0
-Co+2 + CO3-2 = CoCO3
-	log_k	4.228
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-Co+2 + H+ + CO3-2 = CoHCO3+
-	log_k	12.2199
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.70 25.0
-Fe+2 + H+ + CO3-2 = FeHCO3+
-	log_k	11.429
-	delta_h	0	kJ
-	-gamma	6	0
-		#                  Id:	2801400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mn+2 + H+ + CO3-2 = MnHCO3+
-	log_k	11.629
-	delta_h	-10.6	kJ
-	-gamma	5	0
-		#                  Id:	4701400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + CO3-2 = UO2CO3
-	log_k	9.6
-	delta_h	4	kJ
-	-gamma	0	0
-		#                  Id:	8931400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2CO3-2 = UO2(CO3)2-2
-	log_k	16.9
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	8931401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + 3CO3-2 = UO2(CO3)3-4
-	log_k	21.6
-	delta_h	-40	kJ
-	-gamma	0	0
-		#                  Id:	8931402
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Be+2 + CO3-2 = BeCO3
-	log_k	6.2546
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1101401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 3.00 25.0
-Mg+2 + CO3-2 = MgCO3
-	log_k	2.92
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	4601400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Mg+2 + H+ + CO3-2 = MgHCO3+
-	log_k	11.339
-	delta_h	-10.6	kJ
-	-gamma	4	0
-		#                  Id:	4601401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + H+ + CO3-2 = CaHCO3+
-	log_k	11.599
-	delta_h	5.4	kJ
-	-gamma	6	0
-		#                  Id:	1501400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-CO3-2 + Ca+2 = CaCO3
-	log_k	3.2
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	1501401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + CO3-2 = SrCO3
-	log_k	2.81
-	delta_h	20	kJ
-	-gamma	0	0
-		#                  Id:	8001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + H+ + CO3-2 = SrHCO3+
-	log_k	11.539
-	delta_h	10.4	kJ
-	-gamma	6	0
-		#                  Id:	8001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + CO3-2 = BaCO3
-	log_k	2.71
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	1001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + H+ + CO3-2 = BaHCO3+
-	log_k	11.309
-	delta_h	10.4	kJ
-	-gamma	6	0
-		#                  Id:	1001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Na+ + CO3-2 = NaCO3-
-	log_k	1.27
-	delta_h	-20.35	kJ
-	-gamma	5.4	0
-		#                  Id:	5001400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.00 25.0
-Na+ + H+ + CO3-2 = NaHCO3
-	log_k	10.079
-	delta_h	-28.3301	kJ
-	-gamma	0	0
-		#                  Id:	5001401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	 0.00 25.0
-H4SiO4 = H2SiO4-2 + 2H+
-	log_k	-23.04
-	delta_h	61	kJ
-	-gamma	5.4	0
-		#                  Id:	3307701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-H4SiO4 = H3SiO4- + H+
-	log_k	-9.84
-	delta_h	20	kJ
-	-gamma	4	0
-		#                  Id:	3307700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
-	log_k	-1.9111
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8937700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 25.0
-H3BO3 = H2BO3- + H+
-	log_k	-9.236
-	delta_h	13	kJ
-	-gamma	2.5	0
-		#                  Id:	3300900
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-2H3BO3 = H5(BO3)2- + H+
-	log_k	-9.306
-	delta_h	8.4	kJ
-	-gamma	2.5	0
-		#                  Id:	3300901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-3H3BO3 = H8(BO3)3- + H+
-	log_k	-7.306
-	delta_h	29.4	kJ
-	-gamma	2.5	0
-		#                  Id:	3300902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + H3BO3 = AgH2BO3 + H+
-	log_k	-8.036
-	delta_h	0	kJ
-	-gamma	2.5	0
-		#                  Id:	200901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Mg+2 + H3BO3 = MgH2BO3+ + H+
-	log_k	-7.696
-	delta_h	13	kJ
-	-gamma	2.5	0
-		#                  Id:	4600901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + H3BO3 = CaH2BO3+ + H+
-	log_k	-7.476
-	delta_h	17	kJ
-	-gamma	2.5	0
-		#                  Id:	1500901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + H3BO3 = SrH2BO3+ + H+
-	log_k	-7.686
-	delta_h	17	kJ
-	-gamma	2.5	0
-		#                  Id:	8000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + H3BO3 = BaH2BO3+ + H+
-	log_k	-7.746
-	delta_h	17	kJ
-	-gamma	2.5	0
-		#                  Id:	1000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Na+ + H3BO3 = NaH2BO3 + H+
-	log_k	-9.036
-	delta_h	0	kJ
-	-gamma	2.5	0
-		#                  Id:	5000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-CrO4-2 + H+ = HCrO4-
-	log_k	6.51
-	delta_h	2	kJ
-	-gamma	0	0
-		#                  Id:	2123300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-CrO4-2 + 2H+ = H2CrO4
-	log_k	6.4188
-	delta_h	39	kJ
-	-gamma	0	0
-		#                  Id:	2123301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 20.0
-2CrO4-2 + 2H+ = Cr2O7-2 + H2O
-	log_k	14.56
-	delta_h	-15	kJ
-	-gamma	0	0
-		#                  Id:	2123302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
-	log_k	7.3086
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2121800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
-	log_k	8.9937
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2127320
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
-	log_k	29.3634
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2125800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
-	log_k	26.6806
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2125801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + Na+ = NaCrO4-
-	log_k	0.6963
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5002120
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-K+ + CrO4-2 = KCrO4-
-	log_k	0.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4102120
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 18.0
-MoO4-2 + H+ = HMoO4-
-	log_k	4.2988
-	delta_h	20	kJ
-	-gamma	0	0
-		#                  Id:	3304801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 20.0
-MoO4-2 + 2H+ = H2MoO4
-	log_k	8.1636
-	delta_h	-26	kJ
-	-gamma	0	0
-		#                  Id:	3304802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 20.0
-7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O
-	log_k	52.99
-	delta_h	-228	kJ
-	-gamma	0	0
-		#                  Id:	3304803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O
-	log_k	59.3768
-	delta_h	-218	kJ
-	-gamma	0	0
-		#                  Id:	3304804
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O
-	log_k	64.159
-	delta_h	-215	kJ
-	-gamma	0	0
-		#                  Id:	3304805
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O
-	log_k	67.405
-	delta_h	-217	kJ
-	-gamma	0	0
-		#                  Id:	3304806
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 1.00 25.0
-6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O
-	log_k	54.9925
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	304801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.50 25.0
-MoO4-2 + 2Ag+ = Ag2MoO4
-	log_k	-0.4219
-	delta_h	-1.18	kJ
-	-gamma	0	0
-		#                  Id:	204801
-		#        log K source:	Bard85                        
-		#      Delta H source:	Bard85                        
-		#T and ionic strength:	          
-VO2+ + 2H2O = VO4-3 + 4H+
-	log_k	-30.2
-	delta_h	-25	kJ
-	-gamma	0	0
-		#                  Id:	9033303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = HVO4-2 + 3H+
-	log_k	-15.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9033302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = H2VO4- + 2H+
-	log_k	-7.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9033301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = H3VO4 + H+
-	log_k	-3.3
-	delta_h	44.4759	kJ
-	-gamma	0	0
-		#                  Id:	9033300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2VO2+ + 3H2O = V2O7-4 + 6H+
-	log_k	-31.24
-	delta_h	-28	kJ
-	-gamma	0	0
-		#                  Id:	9030020
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-2VO2+ + 3H2O = HV2O7-3 + 5H+
-	log_k	-20.67
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9030021
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-2VO2+ + 3H2O = H3V2O7- + 3H+
-	log_k	-3.79
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9030022
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-3VO2+ + 3H2O = V3O9-3 + 6H+
-	log_k	-15.88
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9030023
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-4VO2+ + 4H2O = V4O12-4 + 8H+
-	log_k	-20.56
-	delta_h	-87	kJ
-	-gamma	0	0
-		#                  Id:	9030024
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
-		#T and ionic strength:	 0.00 25.0
-10VO2+ + 8H2O = V10O28-6 + 16H+
-	log_k	-24.0943
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9030025
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-10VO2+ + 8H2O = HV10O28-5 + 15H+
-	log_k	-15.9076
-	delta_h	90.0397	kJ
-	-gamma	0	0
-		#                  Id:	9030026
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.10 20.0
-10VO2+ + 8H2O = H2V10O28-4 + 14H+
-	log_k	-10.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9030027
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	 0.00 25.0
-Benzoate- + H+ = H(Benzoate)
-	log_k	4.202
-	delta_h	-0.4602	kJ
-	-gamma	0	0
-		#                  Id:	3309171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Pb+2 = Pb(Benzoate)+
-	log_k	2.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Al+3 = Al(Benzoate)+2
-	log_k	2.05
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+
-	log_k	-0.56
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309172
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Zn+2 = Zn(Benzoate)+
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Benzoate- + Cd+2 = Cd(Benzoate)+
-	log_k	1.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Benzoate- + Cd+2 = Cd(Benzoate)2
-	log_k	1.82
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609172
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Benzoate- + Cu+2 = Cu(Benzoate)+
-	log_k	2.19
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Ag+ = Ag(Benzoate)
-	log_k	0.91
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Ni+2 = Ni(Benzoate)+
-	log_k	1.86
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Co+2 + Benzoate- = Co(Benzoate)+
-	log_k	1.0537
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	2009171
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 30.0
-Benzoate- + Mn+2 = Mn(Benzoate)+
-	log_k	2.06
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Benzoate- + Mg+2 = Mg(Benzoate)+
-	log_k	1.26
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Benzoate- + Ca+2 = Ca(Benzoate)+
-	log_k	1.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Phenylacetate- + H+ = H(Phenylacetate)
-	log_k	4.31
-	delta_h	2.1757	kJ
-	-gamma	0	0
-		#                  Id:	3309181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Phenylacetate- + Zn+2 = Zn(Phenylacetate)+
-	log_k	1.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Phenylacetate- + Cu+2 = Cu(Phenylacetate)+
-	log_k	1.97
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Phenylacetate- = Co(Phenylacetate)+
-	log_k	0.591
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009181
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Phenylacetate- = Co(Phenylacetate)2
-	log_k	0.4765
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009182
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Isophthalate-2 + H+ = H(Isophthalate)-
-	log_k	4.5
-	delta_h	1.6736	kJ
-	-gamma	0	0
-		#                  Id:	3309201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + 2H+ = H2(Isophthalate)
-	log_k	8
-	delta_h	1.6736	kJ
-	-gamma	0	0
-		#                  Id:	3309202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Pb+2 = Pb(Isophthalate)
-	log_k	2.99
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2
-	log_k	4.18
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+
-	log_k	6.69
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009203
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Cd+2 = Cd(Isophthalate)
-	log_k	2.15
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2
-	log_k	2.99
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+
-	log_k	5.73
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609203
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Ca+2 = Ca(Isophthalate)
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509200
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + Ba+2 = Ba(Isophthalate)
-	log_k	1.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Diethylamine = H(Diethylamine)+
-	log_k	10.933
-	delta_h	-53.1368	kJ
-	-gamma	0	0
-		#                  Id:	3309551
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Diethylamine = Zn(Diethylamine)+2
-	log_k	2.74
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2
-	log_k	5.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2
-	log_k	7.71
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2
-	log_k	9.84
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + Diethylamine = Cd(Diethylamine)+2
-	log_k	2.73
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2
-	log_k	4.86
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2
-	log_k	6.37
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2
-	log_k	7.32
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ag+ + Diethylamine = Ag(Diethylamine)+
-	log_k	2.98
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209551
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Diethylamine = Ag(Diethylamine)2+
-	log_k	6.38
-	delta_h	-44.7688	kJ
-	-gamma	0	0
-		#                  Id:	209552
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Diethylamine = Ni(Diethylamine)+2
-	log_k	2.78
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2
-	log_k	4.97
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2
-	log_k	6.72
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2
-	log_k	7.93
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2
-	log_k	8.87
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409555
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Butylamine = H(Butylamine)+
-	log_k	10.64
-	delta_h	-58.2831	kJ
-	-gamma	0	0
-		#                  Id:	3309561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O
-	log_k	14.84
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O
-	log_k	24.24
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619562
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O
-	log_k	25.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619563
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O
-	log_k	26.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619564
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Butylamine = Ag(Butylamine)+
-	log_k	3.42
-	delta_h	-16.736	kJ
-	-gamma	0	0
-		#                  Id:	209561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Butylamine = Ag(Butylamine)2+
-	log_k	7.47
-	delta_h	-52.7184	kJ
-	-gamma	0	0
-		#                  Id:	209562
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Methylamine = H(Methylamine)+
-	log_k	10.64
-	delta_h	-55.2288	kJ
-	-gamma	0	0
-		#                  Id:	3309581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Methylamine = Cd(Methylamine)+2
-	log_k	2.75
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Methylamine = Cd(Methylamine)2+2
-	log_k	4.81
-	delta_h	-29.288	kJ
-	-gamma	0	0
-		#                  Id:	1609582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Methylamine = Cd(Methylamine)3+2
-	log_k	5.94
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 4Methylamine = Cd(Methylamine)4+2
-	log_k	6.55
-	delta_h	-58.576	kJ
-	-gamma	0	0
-		#                  Id:	1609584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O
-	log_k	14.76
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O
-	log_k	23.96
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O
-	log_k	24.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O
-	log_k	24.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Methylamine = Cu(Methylamine)+2
-	log_k	4.11
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Methylamine = Cu(Methylamine)2+2
-	log_k	7.51
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Methylamine = Cu(Methylamine)3+2
-	log_k	10.21
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Methylamine = Cu(Methylamine)4+2
-	log_k	12.08
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Methylamine = Ag(Methylamine)+
-	log_k	3.07
-	delta_h	-12.552	kJ
-	-gamma	0	0
-		#                  Id:	209581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Methylamine = Ag(Methylamine)2+
-	log_k	6.89
-	delta_h	-48.9528	kJ
-	-gamma	0	0
-		#                  Id:	209582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Methylamine = Ni(Methylamine)+2
-	log_k	2.23
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Dimethylamine = H(Dimethylamine)+
-	log_k	10.774
-	delta_h	-50.208	kJ
-	-gamma	0	0
-		#                  Id:	3309591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+
-	log_k	5.37
-	delta_h	-40.5848	kJ
-	-gamma	0	0
-		#                  Id:	209591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Dimethylamine = Ni(Dimethylamine)+2
-	log_k	1.47
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Hexylamine = H(Hexylamine)+
-	log_k	10.63
-	delta_h	-58.576	kJ
-	-gamma	0	0
-		#                  Id:	3309611
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Hexylamine = Ag(Hexylamine)+
-	log_k	3.54
-	delta_h	-25.104	kJ
-	-gamma	0	0
-		#                  Id:	209611
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Hexylamine = Ag(Hexylamine)2+
-	log_k	7.55
-	delta_h	-53.1368	kJ
-	-gamma	0	0
-		#                  Id:	209612
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Ethylenediamine = H(Ethylenediamine)+
-	log_k	9.928
-	delta_h	-49.7896	kJ
-	-gamma	0	0
-		#                  Id:	3309631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Ethylenediamine = H2(Ethylenediamine)+2
-	log_k	16.776
-	delta_h	-95.3952	kJ
-	-gamma	0	0
-		#                  Id:	3309632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2
-	log_k	5.04
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2
-	log_k	5.66
-	delta_h	-29.288	kJ
-	-gamma	0	0
-		#                  Id:	9509631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2
-	log_k	10.6
-	delta_h	-48.116	kJ
-	-gamma	0	0
-		#                  Id:	9509632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2
-	log_k	13.9
-	delta_h	-71.5464	kJ
-	-gamma	0	0
-		#                  Id:	9509633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2
-	log_k	5.41
-	delta_h	-28.4512	kJ
-	-gamma	0	0
-		#                  Id:	1609631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2
-	log_k	9.9
-	delta_h	-55.6472	kJ
-	-gamma	0	0
-		#                  Id:	1609632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2
-	log_k	11.6
-	delta_h	-82.4248	kJ
-	-gamma	0	0
-		#                  Id:	1609633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O
-	log_k	20.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O
-	log_k	29.3
-	delta_h	-173.218	kJ
-	-gamma	0	0
-		#                  Id:	3619632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O
-	log_k	34.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+
-	log_k	11.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2
-	log_k	10.5
-	delta_h	-52.7184	kJ
-	-gamma	0	0
-		#                  Id:	2319631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2
-	log_k	19.6
-	delta_h	-105.437	kJ
-	-gamma	0	0
-		#                  Id:	2319632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Ethylenediamine = Ag(Ethylenediamine)+
-	log_k	4.6
-	delta_h	-48.9528	kJ
-	-gamma	0	0
-		#                  Id:	209631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+
-	log_k	7.5
-	delta_h	-52.3	kJ
-	-gamma	0	0
-		#                  Id:	209632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2
-	log_k	11.99
-	delta_h	-75.312	kJ
-	-gamma	0	0
-		#                  Id:	209633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209634
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2
-	log_k	12.7
-	delta_h	-97.0688	kJ
-	-gamma	0	0
-		#                  Id:	209635
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3
-	log_k	24
-	delta_h	-150.206	kJ
-	-gamma	0	0
-		#                  Id:	209636
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2
-	log_k	8.4
-	delta_h	-47.6976	kJ
-	-gamma	0	0
-		#                  Id:	209637
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2
-	log_k	7.32
-	delta_h	-37.656	kJ
-	-gamma	0	0
-		#                  Id:	5409631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2
-	log_k	13.5
-	delta_h	-76.5672	kJ
-	-gamma	0	0
-		#                  Id:	5409632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2
-	log_k	17.6
-	delta_h	-117.152	kJ
-	-gamma	0	0
-		#                  Id:	5409633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Ethylenediamine = Co(Ethylenediamine)+2
-	log_k	5.5
-	delta_h	-28	kJ
-	-gamma	0	0
-		#                  Id:	2009631
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2
-	log_k	10.1
-	delta_h	-58.5	kJ
-	-gamma	0	0
-		#                  Id:	2009632
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2
-	log_k	13.2
-	delta_h	-92.8	kJ
-	-gamma	0	0
-		#                  Id:	2009633
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3
-	log_k	34.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2019631
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3
-	log_k	48.69
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2019632
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.50 30.0
-Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2
-	log_k	4.26
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2
-	log_k	7.73
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2
-	log_k	10.17
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2
-	log_k	2.74
-	delta_h	-11.7152	kJ
-	-gamma	0	0
-		#                  Id:	4709631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2
-	log_k	4.8
-	delta_h	-25.104	kJ
-	-gamma	0	0
-		#                  Id:	4709632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O
-	log_k	22.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O
-	log_k	29
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2
-	log_k	0.37
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2
-	log_k	0.11
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Propylamine = H(Propylamine)+
-	log_k	10.566
-	delta_h	-57.53	kJ
-	-gamma	0	0
-		#                  Id:	3309641
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Propylamine = Zn(Propylamine)+2
-	log_k	2.42
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Propylamine = Zn(Propylamine)2+2
-	log_k	4.85
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Propylamine = Zn(Propylamine)3+2
-	log_k	7.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Propylamine = Zn(Propylamine)4+2
-	log_k	9.49
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509644
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + Propylamine = Cd(Propylamine)+2
-	log_k	2.62
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Propylamine = Cd(Propylamine)2+2
-	log_k	4.64
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Propylamine = Cd(Propylamine)3+2
-	log_k	6.03
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ag+ + Propylamine = Ag(Propylamine)+
-	log_k	3.45
-	delta_h	-12.552	kJ
-	-gamma	0	0
-		#                  Id:	209641
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Propylamine = Ag(Propylamine)2+
-	log_k	7.44
-	delta_h	-53.1368	kJ
-	-gamma	0	0
-		#                  Id:	209642
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Propylamine = Ni(Propylamine)+2
-	log_k	2.81
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Propylamine = Ni(Propylamine)2+2
-	log_k	5.02
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Propylamine = Ni(Propylamine)3+2
-	log_k	6.79
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Propylamine = Ni(Propylamine)4+2
-	log_k	8.31
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409644
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Isopropylamine = H(Isopropylamine)+
-	log_k	10.67
-	delta_h	-58.3668	kJ
-	-gamma	0	0
-		#                  Id:	3309651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Isopropylamine = Zn(Isopropylamine)+2
-	log_k	2.37
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2
-	log_k	4.67
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2
-	log_k	7.14
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2
-	log_k	9.44
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + Isopropylamine = Cd(Isopropylamine)+2
-	log_k	2.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2
-	log_k	4.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2
-	log_k	6.07
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2
-	log_k	6.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O
-	log_k	14.85
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O
-	log_k	24.37
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619652
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Isopropylamine = Ag(Isopropylamine)+
-	log_k	3.67
-	delta_h	-23.8488	kJ
-	-gamma	0	0
-		#                  Id:	209651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+
-	log_k	7.77
-	delta_h	-59.8312	kJ
-	-gamma	0	0
-		#                  Id:	209652
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Isopropylamine = Ni(Isopropylamine)+2
-	log_k	2.71
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2
-	log_k	4.86
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2
-	log_k	6.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2
-	log_k	7.83
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2
-	log_k	8.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409655
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Trimethylamine = H(Trimethylamine)+
-	log_k	9.8
-	delta_h	-36.8192	kJ
-	-gamma	0	0
-		#                  Id:	3309661
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Trimethylamine = Ag(Trimethylamine)+
-	log_k	1.701
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209661
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Citrate-3 = H(Citrate)-2
-	log_k	6.396
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	3309671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Citrate-3 = H2(Citrate)-
-	log_k	11.157
-	delta_h	1.297	kJ
-	-gamma	0	0
-		#                  Id:	3309672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Citrate-3 = H3(Citrate)
-	log_k	14.285
-	delta_h	-2.7614	kJ
-	-gamma	0	0
-		#                  Id:	3309673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Citrate-3 = Pb(Citrate)-
-	log_k	7.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Citrate-3 = Pb(Citrate)2-4
-	log_k	6.53
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Citrate-3 = Al(Citrate)
-	log_k	9.97
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Citrate-3 = Al(Citrate)2-3
-	log_k	14.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Citrate-3 + H+ = AlH(Citrate)+
-	log_k	12.85
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Citrate-3 = Tl(Citrate)-2
-	log_k	1.48
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Citrate-3 = Zn(Citrate)-
-	log_k	6.21
-	delta_h	8.368	kJ
-	-gamma	0	0
-		#                  Id:	9509671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Citrate-3 = Zn(Citrate)2-4
-	log_k	7.4
-	delta_h	25.104	kJ
-	-gamma	0	0
-		#                  Id:	9509672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Citrate-3 + H+ = ZnH(Citrate)
-	log_k	10.2
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	9509673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+
-	log_k	12.84
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509674
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + Citrate-3 = Cd(Citrate)-
-	log_k	4.98
-	delta_h	8.368	kJ
-	-gamma	0	0
-		#                  Id:	1609671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Citrate-3 + H+ = CdH(Citrate)
-	log_k	9.44
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	1609672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+
-	log_k	12.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Citrate-3 = Cd(Citrate)2-4
-	log_k	5.9
-	delta_h	20.92	kJ
-	-gamma	0	0
-		#                  Id:	1609674
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O
-	log_k	18.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Citrate-3 = Cu(Citrate)-
-	log_k	7.57
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+2 + 2Citrate-3 = Cu(Citrate)2-4
-	log_k	8.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319672
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+2 + Citrate-3 + H+ = CuH(Citrate)
-	log_k	10.87
-	delta_h	11.7152	kJ
-	-gamma	0	0
-		#                  Id:	2319673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+
-	log_k	13.23
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319674
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2
-	log_k	16.9
-	delta_h	41.84	kJ
-	-gamma	0	0
-		#                  Id:	2319675
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Citrate-3 = Ni(Citrate)-
-	log_k	6.59
-	delta_h	16.736	kJ
-	-gamma	0	0
-		#                  Id:	5409671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Citrate-3 + H+ = NiH(Citrate)
-	log_k	10.5
-	delta_h	15.8992	kJ
-	-gamma	0	0
-		#                  Id:	5409672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+
-	log_k	13.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Citrate-3 = Ni(Citrate)2-4
-	log_k	8.77
-	delta_h	12.552	kJ
-	-gamma	0	0
-		#                  Id:	5409674
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3
-	log_k	14.9
-	delta_h	32.6352	kJ
-	-gamma	0	0
-		#                  Id:	5409675
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Citrate-3 = Co(Citrate)-
-	log_k	6.1867
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + H+ + Citrate-3 = CoHCitrate
-	log_k	10.4438
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 2H+ + Citrate-3 = CoH2Citrate+
-	log_k	12.7859
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009673
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Fe+2 + Citrate-3 = Fe(Citrate)-
-	log_k	6.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + Citrate-3 + H+ = FeH(Citrate)
-	log_k	10.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Citrate-3 = Fe(Citrate)
-	log_k	13.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Citrate-3 + H+ = FeH(Citrate)+
-	log_k	14.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Citrate-3 = Mn(Citrate)-
-	log_k	4.28
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mn+2 + Citrate-3 + H+ = MnH(Citrate)
-	log_k	9.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Be+2 + Citrate-3 = Be(Citrate)-
-	log_k	5.534
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Be+2 + H+ + Citrate-3 = BeH(Citrate)
-	log_k	9.442
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Ca+2 + Citrate-3 = Ca(Citrate)-
-	log_k	4.87
-	delta_h	-8.368	kJ
-	-gamma	0	0
-		#                  Id:	1509671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Citrate-3 + H+ = CaH(Citrate)
-	log_k	9.26
-	delta_h	-0.8368	kJ
-	-gamma	0	0
-		#                  Id:	1509672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+
-	log_k	12.257
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mg+2 + Citrate-3 = Mg(Citrate)-
-	log_k	4.89
-	delta_h	8.368	kJ
-	-gamma	0	0
-		#                  Id:	4609671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Citrate-3 + H+ = MgH(Citrate)
-	log_k	8.91
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	4609672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+
-	log_k	12.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Sr+2 + Citrate-3 = Sr(Citrate)-
-	log_k	4.3367
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + H+ + Citrate-3 = SrH(Citrate)
-	log_k	8.9738
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+
-	log_k	12.4859
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009673
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Citrate-3 = Ba(Citrate)-
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Citrate-3 + H+ = BaH(Citrate)
-	log_k	8.74
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+
-	log_k	12.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Na+ + Citrate-3 = Na(Citrate)-2
-	log_k	1.03
-	delta_h	-2.8033	kJ
-	-gamma	0	0
-		#                  Id:	5009671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Na+ + Citrate-3 = Na2(Citrate)-
-	log_k	1.5
-	delta_h	-5.1045	kJ
-	-gamma	0	0
-		#                  Id:	5009672
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Na+ + Citrate-3 + H+ = NaH(Citrate)-
-	log_k	6.45
-	delta_h	-3.5982	kJ
-	-gamma	0	0
-		#                  Id:	5009673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-K+ + Citrate-3 = K(Citrate)-2
-	log_k	1.1
-	delta_h	5.4392	kJ
-	-gamma	0	0
-		#                  Id:	4109671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Nta-3 = H(Nta)-2
-	log_k	10.278
-	delta_h	-18.828	kJ
-	-gamma	0	0
-		#                  Id:	3309681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Nta-3 = H2(Nta)-
-	log_k	13.22
-	delta_h	-17.9912	kJ
-	-gamma	0	0
-		#                  Id:	3309682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Nta-3 = H3(Nta)
-	log_k	15.22
-	delta_h	-16.3176	kJ
-	-gamma	0	0
-		#                  Id:	3309683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-4H+ + Nta-3 = H4(Nta)+
-	log_k	16.22
-	delta_h	-16.3176	kJ
-	-gamma	0	0
-		#                  Id:	3309684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Nta-3 = Pb(Nta)-
-	log_k	12.7
-	delta_h	-15.8992	kJ
-	-gamma	0	0
-		#                  Id:	6009681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Nta-3 + H+ = PbH(Nta)
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Nta-3 = Al(Nta)
-	log_k	13.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Nta-3 + H+ = AlH(Nta)+
-	log_k	15.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+
-	log_k	8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Nta-3 = Tl(Nta)-2
-	log_k	5.39
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Nta-3 = Zn(Nta)-
-	log_k	11.95
-	delta_h	-3.7656	kJ
-	-gamma	0	0
-		#                  Id:	9509681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Nta-3 = Zn(Nta)2-4
-	log_k	14.88
-	delta_h	-15.0624	kJ
-	-gamma	0	0
-		#                  Id:	9509682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+
-	log_k	1.46
-	delta_h	46.4424	kJ
-	-gamma	0	0
-		#                  Id:	9509683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Nta-3 = Cd(Nta)-
-	log_k	11.07
-	delta_h	-16.736	kJ
-	-gamma	0	0
-		#                  Id:	1609681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Nta-3 = Cd(Nta)2-4
-	log_k	15.03
-	delta_h	-38.0744	kJ
-	-gamma	0	0
-		#                  Id:	1609682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+
-	log_k	-0.61
-	delta_h	29.288	kJ
-	-gamma	0	0
-		#                  Id:	1609683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O
-	log_k	21.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Nta-3 = Cu(Nta)-
-	log_k	14.4
-	delta_h	-7.9496	kJ
-	-gamma	0	0
-		#                  Id:	2319681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Nta-3 = Cu(Nta)2-4
-	log_k	18.1
-	delta_h	-37.2376	kJ
-	-gamma	0	0
-		#                  Id:	2319682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Nta-3 + H+ = CuH(Nta)
-	log_k	16.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+
-	log_k	4.8
-	delta_h	25.5224	kJ
-	-gamma	0	0
-		#                  Id:	2319684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Nta-3 = Ag(Nta)-2
-	log_k	6
-	delta_h	-26.3592	kJ
-	-gamma	0	0
-		#                  Id:	209681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Nta-3 = Ni(Nta)-
-	log_k	12.79
-	delta_h	-10.0416	kJ
-	-gamma	0	0
-		#                  Id:	5409681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Nta-3 = Ni(Nta)2-4
-	log_k	16.96
-	delta_h	-32.6352	kJ
-	-gamma	0	0
-		#                  Id:	5409682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+
-	log_k	1.5
-	delta_h	15.0624	kJ
-	-gamma	0	0
-		#                  Id:	5409683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Nta-3 = Co(Nta)-
-	log_k	11.6667
-	delta_h	-0.4	kJ
-	-gamma	0	0
-		#                  Id:	2009681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Nta-3 = Co(Nta)2-4
-	log_k	14.9734
-	delta_h	-20	kJ
-	-gamma	0	0
-		#                  Id:	2009682
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+
-	log_k	0.4378
-	delta_h	45.6	kJ
-	-gamma	0	0
-		#                  Id:	2009683
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Fe+2 + Nta-3 = Fe(Nta)-
-	log_k	10.19
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Nta-3 = Fe(Nta)2-4
-	log_k	12.62
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + Nta-3 + H+ = FeH(Nta)
-	log_k	12.29
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+
-	log_k	-1.06
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Nta-3 = Fe(Nta)
-	log_k	17.8
-	delta_h	13.3888	kJ
-	-gamma	0	0
-		#                  Id:	2819681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + 2Nta-3 = Fe(Nta)2-3
-	log_k	25.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+
-	log_k	13.23
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Nta-3 = Mn(Nta)-
-	log_k	8.573
-	delta_h	5.8576	kJ
-	-gamma	0	0
-		#                  Id:	4709681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Nta-3 = Mn(Nta)2-4
-	log_k	11.58
-	delta_h	-17.1544	kJ
-	-gamma	0	0
-		#                  Id:	4709682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O
-	log_k	21.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119681
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O
-	log_k	29.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119682
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O
-	log_k	19.5434
-	delta_h	-69	kJ
-	-gamma	0	0
-		#                  Id:	4809681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O
-	log_k	23.3954
-	delta_h	-71	kJ
-	-gamma	0	0
-		#                  Id:	4809682
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 1.00 25.0
-MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O
-	log_k	25.3534
-	delta_h	-71	kJ
-	-gamma	0	0
-		#                  Id:	4809683
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 1.00 25.0
-Be+2 + Nta-3 = Be(Nta)-
-	log_k	9.0767
-	delta_h	25	kJ
-	-gamma	0	0
-		#                  Id:	1109681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + Nta-3 = Mg(Nta)-
-	log_k	6.5
-	delta_h	17.9912	kJ
-	-gamma	0	0
-		#                  Id:	4609681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Nta-3 = Ca(Nta)-
-	log_k	7.608
-	delta_h	-5.6902	kJ
-	-gamma	0	0
-		#                  Id:	1509681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + 2Nta-3 = Ca(Nta)2-4
-	log_k	8.81
-	delta_h	-32.6352	kJ
-	-gamma	0	0
-		#                  Id:	1509682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Nta-3 = Sr(Nta)-
-	log_k	6.2767
-	delta_h	-2.2	kJ
-	-gamma	0	0
-		#                  Id:	8009681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Nta-3 = Ba(Nta)-
-	log_k	5.875
-	delta_h	-6.025	kJ
-	-gamma	0	0
-		#                  Id:	1009681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Edta-4 = H(Edta)-3
-	log_k	10.948
-	delta_h	-23.4304	kJ
-	-gamma	0	0
-		#                  Id:	3309691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Edta-4 = H2(Edta)-2
-	log_k	17.221
-	delta_h	-41.0032	kJ
-	-gamma	0	0
-		#                  Id:	3309692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Edta-4 = H3(Edta)-
-	log_k	20.34
-	delta_h	-35.564	kJ
-	-gamma	0	0
-		#                  Id:	3309693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-4H+ + Edta-4 = H4(Edta)
-	log_k	22.5
-	delta_h	-34.3088	kJ
-	-gamma	0	0
-		#                  Id:	3309694
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-5H+ + Edta-4 = H5(Edta)+
-	log_k	24
-	delta_h	-32.2168	kJ
-	-gamma	0	0
-		#                  Id:	3309695
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O
-	log_k	27.026
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 20.0
-Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O
-	log_k	29.934
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 20.0
-Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O
-	log_k	31.638
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909693
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 20.0
-Pb+2 + Edta-4 = Pb(Edta)-2
-	log_k	19.8
-	delta_h	-54.8104	kJ
-	-gamma	0	0
-		#                  Id:	6009691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Edta-4 + H+ = PbH(Edta)-
-	log_k	23
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Edta-4 + 2H+ = PbH2(Edta)
-	log_k	24.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Edta-4 = Al(Edta)-
-	log_k	19.1
-	delta_h	52.7184	kJ
-	-gamma	0	0
-		#                  Id:	309690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Edta-4 + H+ = AlH(Edta)
-	log_k	21.8
-	delta_h	36.4008	kJ
-	-gamma	0	0
-		#                  Id:	309691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+
-	log_k	12.8
-	delta_h	73.6384	kJ
-	-gamma	0	0
-		#                  Id:	309692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Edta-4 = Tl(Edta)-3
-	log_k	7.27
-	delta_h	-43.5136	kJ
-	-gamma	0	0
-		#                  Id:	8709691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Edta-4 + H+ = TlH(Edta)-2
-	log_k	13.68
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Edta-4 = Zn(Edta)-2
-	log_k	18
-	delta_h	-19.2464	kJ
-	-gamma	0	0
-		#                  Id:	9509691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Edta-4 + H+ = ZnH(Edta)-
-	log_k	21.4
-	delta_h	-28.4512	kJ
-	-gamma	0	0
-		#                  Id:	9509692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+
-	log_k	5.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Edta-4 = Cd(Edta)-2
-	log_k	18.2
-	delta_h	-38.0744	kJ
-	-gamma	0	0
-		#                  Id:	1609691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Edta-4 + H+ = CdH(Edta)-
-	log_k	21.5
-	delta_h	-39.748	kJ
-	-gamma	0	0
-		#                  Id:	1609692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O
-	log_k	29.3
-	delta_h	-125.102	kJ
-	-gamma	0	0
-		#                  Id:	3619691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O
-	log_k	32.9
-	delta_h	-128.449	kJ
-	-gamma	0	0
-		#                  Id:	3619692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Edta-4 = Cu(Edta)-2
-	log_k	20.5
-	delta_h	-34.7272	kJ
-	-gamma	0	0
-		#                  Id:	2319691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Edta-4 + H+ = CuH(Edta)-
-	log_k	24
-	delta_h	-43.0952	kJ
-	-gamma	0	0
-		#                  Id:	2319692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Edta-4 + 2H+ = CuH2(Edta)
-	log_k	26.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319694
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Edta-4 = Ag(Edta)-3
-	log_k	8.08
-	delta_h	-31.38	kJ
-	-gamma	0	0
-		#                  Id:	209691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Edta-4 + H+ = AgH(Edta)-2
-	log_k	15.21
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + Edta-4 = Ni(Edta)-2
-	log_k	20.1
-	delta_h	-30.9616	kJ
-	-gamma	0	0
-		#                  Id:	5409691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Edta-4 + H+ = NiH(Edta)-
-	log_k	23.6
-	delta_h	-38.4928	kJ
-	-gamma	0	0
-		#                  Id:	5409692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+
-	log_k	7.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Edta-4 = Co(Edta)-2
-	log_k	18.1657
-	delta_h	-15	kJ
-	-gamma	0	0
-		#                  Id:	2009691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + Edta-4 + H+ = CoH(Edta)-
-	log_k	21.5946
-	delta_h	-22.9	kJ
-	-gamma	0	0
-		#                  Id:	2009692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + Edta-4 + 2H+ = CoH2(Edta)
-	log_k	23.4986
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009693
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Co+3 + Edta-4 = Co(Edta)-
-	log_k	43.9735
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2019691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Co+3 + Edta-4 + H+ = CoH(Edta)
-	log_k	47.168
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2019692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Fe+2 + Edta-4 = Fe(Edta)-2
-	log_k	16
-	delta_h	-16.736	kJ
-	-gamma	0	0
-		#                  Id:	2809690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + Edta-4 + H+ = FeH(Edta)-
-	log_k	19.06
-	delta_h	-27.6144	kJ
-	-gamma	0	0
-		#                  Id:	2809691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809692
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+
-	log_k	-4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Fe+3 + Edta-4 = Fe(Edta)-
-	log_k	27.7
-	delta_h	-11.2968	kJ
-	-gamma	0	0
-		#                  Id:	2819690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Edta-4 + H+ = FeH(Edta)
-	log_k	29.2
-	delta_h	-11.7152	kJ
-	-gamma	0	0
-		#                  Id:	2819691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+
-	log_k	19.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+
-	log_k	9.85
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mn+2 + Edta-4 = Mn(Edta)-2
-	log_k	15.6
-	delta_h	-19.2464	kJ
-	-gamma	0	0
-		#                  Id:	4709691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Edta-4 + H+ = MnH(Edta)-
-	log_k	19.1
-	delta_h	-24.2672	kJ
-	-gamma	0	0
-		#                  Id:	4709692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr+2 + Edta-4 = Cr(Edta)-2
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2109691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr+2 + Edta-4 + H+ = CrH(Edta)-
-	log_k	19.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2109692
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O
-	log_k	35.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O
-	log_k	37.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O
-	log_k	27.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Be+2 + Edta-4 = Be(Edta)-2
-	log_k	11.4157
-	delta_h	41	kJ
-	-gamma	0	0
-		#                  Id:	1109691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + Edta-4 = Mg(Edta)-2
-	log_k	10.57
-	delta_h	13.8072	kJ
-	-gamma	0	0
-		#                  Id:	4609690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Edta-4 + H+ = MgH(Edta)-
-	log_k	14.97
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Edta-4 = Ca(Edta)-2
-	log_k	12.42
-	delta_h	-25.5224	kJ
-	-gamma	0	0
-		#                  Id:	1509690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Edta-4 + H+ = CaH(Edta)-
-	log_k	15.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Edta-4 = Sr(Edta)-2
-	log_k	10.4357
-	delta_h	-17	kJ
-	-gamma	0	0
-		#                  Id:	8009691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + Edta-4 + H+ = SrH(Edta)-
-	log_k	14.7946
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Ba+2 + Edta-4 = Ba(Edta)-2
-	log_k	7.72
-	delta_h	-20.5016	kJ
-	-gamma	0	0
-		#                  Id:	1009691
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Na+ + Edta-4 = Na(Edta)-3
-	log_k	2.7
-	delta_h	-5.8576	kJ
-	-gamma	0	0
-		#                  Id:	5009690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-K+ + Edta-4 = K(Edta)-3
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4109690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Propionate- = H(Propionate)
-	log_k	4.874
-	delta_h	0.66	kJ
-	-gamma	0	0
-		#                  Id:	3309711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + Propionate- = Pb(Propionate)+
-	log_k	2.64
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.00 35.0
-Pb+2 + 2Propionate- = Pb(Propionate)2
-	log_k	3.1765
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 2.00 25.0
-Zn+2 + Propionate- = Zn(Propionate)+
-	log_k	1.4389
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Zn+2 + 2Propionate- = Zn(Propionate)2
-	log_k	1.842
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + Propionate- = Cd(Propionate)+
-	log_k	1.598
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Cd+2 + 2Propionate- = Cd(Propionate)2
-	log_k	2.472
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O
-	log_k	10.594
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + Propionate- = Cu(Propionate)+
-	log_k	2.22
-	delta_h	4.1	kJ
-	-gamma	0	0
-		#                  Id:	2319711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Propionate- = Cu(Propionate)2
-	log_k	3.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + Propionate- = Ni(Propionate)+
-	log_k	0.908
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 1.00 25.0
-Co+2 + Propionate- = Co(Propionate)+
-	log_k	0.671
-	delta_h	4.6	kJ
-	-gamma	0	0
-		#                  Id:	2009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Propionate- = Co(Propionate)2
-	log_k	0.5565
-	delta_h	16	kJ
-	-gamma	0	0
-		#                  Id:	2009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 2.00 25.0
-Fe+3 + Propionate- = Fe(Propionate)+2
-	log_k	4.012
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 20.0
-Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O
-	log_k	15.0773
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O
-	log_k	17.9563
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O
-	log_k	20.8858
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119713
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.50 25.0
-Mg+2 + Propionate- = Mg(Propionate)+
-	log_k	0.9689
-	delta_h	4.2677	kJ
-	-gamma	0	0
-		#                  Id:	4609710
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Ca+2 + Propionate- = Ca(Propionate)+
-	log_k	0.9289
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	1509710
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + Propionate- = Sr(Propionate)+
-	log_k	0.8589
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Propionate- = Ba(Propionate)+
-	log_k	0.7689
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + 2Propionate- = Ba(Propionate)2
-	log_k	0.9834
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-H+ + Butyrate- = H(Butyrate)
-	log_k	4.819
-	delta_h	2.8	kJ
-	-gamma	0	0
-		#                  Id:	3309721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + Butyrate- = Pb(Butyrate)+
-	log_k	2.101
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 2.00 25.0
-Zn+2 + Butyrate- = Zn(Butyrate)+
-	log_k	1.4289
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O
-	log_k	10.3529
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Cu+2 + Butyrate- = Cu(Butyrate)+
-	log_k	2.14
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + Butyrate- = Ni(Butyrate)+
-	log_k	0.691
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 2.00 25.0
-Co+2 + Butyrate- = Co(Butyrate)+
-	log_k	0.591
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Butyrate- = Co(Butyrate)2
-	log_k	0.7765
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009722
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Mg+2 + Butyrate- = Mg(Butyrate)+
-	log_k	0.9589
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609720
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Ca+2 + Butyrate- = Ca(Butyrate)+
-	log_k	0.9389
-	delta_h	3.3472	kJ
-	-gamma	0	0
-		#                  Id:	1509720
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Sr+2 + Butyrate- = Sr(Butyrate)+
-	log_k	0.7889
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Butyrate- = Ba(Butyrate)+
-	log_k	0.7389
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + 2Butyrate- = Ba(Butyrate)2
-	log_k	0.88
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009722
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Isobutyrate- = H(Isobutyrate)
-	log_k	4.849
-	delta_h	3.2217	kJ
-	-gamma	0	0
-		#                  Id:	3309731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Isobutyrate- = Zn(Isobutyrate)+
-	log_k	1.44
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Isobutyrate- = Cu(Isobutyrate)+
-	log_k	2.17
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2
-	log_k	3.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319732
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2
-	log_k	4.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Isobutyrate- = Ca(Isobutyrate)+
-	log_k	0.51
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509731
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Two_picoline = H(Two_picoline)+
-	log_k	5.95
-	delta_h	-25.5224	kJ
-	-gamma	0	0
-		#                  Id:	3309801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Two_picoline = Cu(Two_picoline)+2
-	log_k	1.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2
-	log_k	2.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + Two_picoline = Cu(Two_picoline)+
-	log_k	5.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Two_picoline = Cu(Two_picoline)2+
-	log_k	7.65
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Two_picoline = Cu(Two_picoline)3+
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309803
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Two_picoline = Ag(Two_picoline)+
-	log_k	2.32
-	delta_h	-24.2672	kJ
-	-gamma	0	0
-		#                  Id:	209801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Two_picoline = Ag(Two_picoline)2+
-	log_k	4.68
-	delta_h	-42.6768	kJ
-	-gamma	0	0
-		#                  Id:	209802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Two_picoline = Ni(Two_picoline)+2
-	log_k	0.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Three_picoline = H(Three_picoline)+
-	log_k	5.7
-	delta_h	-23.8488	kJ
-	-gamma	0	0
-		#                  Id:	3309811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Three_picoline = Zn(Three_picoline)+2
-	log_k	1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2
-	log_k	2.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2
-	log_k	2.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2
-	log_k	3.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Three_picoline = Cd(Three_picoline)+2
-	log_k	1.42
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609811
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2
-	log_k	2.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609812
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2
-	log_k	3.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + Three_picoline = Cu(Three_picoline)+
-	log_k	5.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Three_picoline = Cu(Three_picoline)2+
-	log_k	7.78
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Three_picoline = Cu(Three_picoline)3+
-	log_k	8.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 4Three_picoline = Cu(Three_picoline)4+
-	log_k	9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Three_picoline = Cu(Three_picoline)+2
-	log_k	2.77
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2
-	log_k	4.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2
-	log_k	6.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Three_picoline = Ag(Three_picoline)+
-	log_k	2.2
-	delta_h	-21.7568	kJ
-	-gamma	0	0
-		#                  Id:	209811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Three_picoline = Ag(Three_picoline)2+
-	log_k	4.46
-	delta_h	-49.7896	kJ
-	-gamma	0	0
-		#                  Id:	209812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Three_picoline = Ni(Three_picoline)+2
-	log_k	1.87
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2
-	log_k	3.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2
-	log_k	4.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Three_picoline = Co(Three_picoline)+2
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009811
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Co+2 + 2Three_picoline = Co(Three_picoline)2+2
-	log_k	2.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009812
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Co+2 + 3Three_picoline = Co(Three_picoline)3+2
-	log_k	2.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009813
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-H+ + Four_picoline = H(Four_picoline)+
-	log_k	6.03
-	delta_h	-25.3132	kJ
-	-gamma	0	0
-		#                  Id:	3309821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Four_picoline = Zn(Four_picoline)+2
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2
-	log_k	2.11
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2
-	log_k	2.85
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Four_picoline = Cd(Four_picoline)+2
-	log_k	1.59
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609821
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2
-	log_k	2.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609822
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2
-	log_k	3.18
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609823
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + Four_picoline = Cu(Four_picoline)+
-	log_k	5.65
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Four_picoline = Cu(Four_picoline)2+
-	log_k	8.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Four_picoline = Cu(Four_picoline)3+
-	log_k	8.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 4Four_picoline = Cu(Four_picoline)4+
-	log_k	9.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Four_picoline = Cu(Four_picoline)+2
-	log_k	2.88
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2
-	log_k	5.16
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2
-	log_k	6.77
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2
-	log_k	8.08
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2
-	log_k	8.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319825
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Four_picoline = Ag(Four_picoline)+
-	log_k	2.03
-	delta_h	-25.5224	kJ
-	-gamma	0	0
-		#                  Id:	209821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Four_picoline = Ag(Four_picoline)2+
-	log_k	4.39
-	delta_h	-53.5552	kJ
-	-gamma	0	0
-		#                  Id:	209822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Four_picoline = Ni(Four_picoline)+2
-	log_k	2.11
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2
-	log_k	3.59
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2
-	log_k	4.34
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2
-	log_k	4.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Four_picoline = Co(Four_picoline)+2
-	log_k	1.56
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009821
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Co+2 + 2Four_picoline = Co(Four_picoline)2+2
-	log_k	2.51
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009822
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Co+2 + 3Four_picoline = Co(Four_picoline)3+2
-	log_k	2.94
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009823
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Co+2 + 4Four_picoline = Co(Four_picoline)4+2
-	log_k	3.17
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009824
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-H+ + Formate- = H(Formate)
-	log_k	3.745
-	delta_h	0.1674	kJ
-	-gamma	0	0
-		#                  Id:	3309831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Formate- = Pb(Formate)+
-	log_k	2.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + Formate- = Zn(Formate)+
-	log_k	1.44
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Formate- = Cd(Formate)+
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O
-	log_k	9.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Formate- = Cu(Formate)+
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Formate- = Ni(Formate)+
-	log_k	1.22
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Co+2 + Formate- = Co(Formate)+
-	log_k	1.209
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009831
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 30.0
-Co+2 + 2Formate- = Co(Formate)2
-	log_k	1.1365
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009832
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Cr+2 + Formate- = Cr(Formate)+
-	log_k	1.07
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2109831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Formate- = Mg(Formate)+
-	log_k	1.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Formate- = Ca(Formate)+
-	log_k	1.43
-	delta_h	4.184	kJ
-	-gamma	0	0
-		#                  Id:	1509831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Formate- = Sr(Formate)+
-	log_k	1.39
-	delta_h	4	kJ
-	-gamma	0	0
-		#                  Id:	8009831
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + Formate- = Ba(Formate)+
-	log_k	1.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Isovalerate- = H(Isovalerate)
-	log_k	4.781
-	delta_h	4.5606	kJ
-	-gamma	0	0
-		#                  Id:	3309841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Isovalerate- = Zn(Isovalerate)+
-	log_k	1.39
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Isovalerate- = Cu(Isovalerate)+
-	log_k	2.08
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Isovalerate- = Ca(Isovalerate)+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509841
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Valerate- = H(Valerate)
-	log_k	4.843
-	delta_h	2.887	kJ
-	-gamma	0	0
-		#                  Id:	3309851
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Valerate- = Cu(Valerate)+
-	log_k	2.12
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319851
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Valerate- = Ca(Valerate)+
-	log_k	0.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509851
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ba+2 + Valerate- = Ba(Valerate)+
-	log_k	-0.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009851
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Acetate- = H(Acetate)
-	log_k	4.757
-	delta_h	0.41	kJ
-	-gamma	0	0
-		#                  Id:	3309921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O
-	log_k	10.0213
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 3.00 25.0
-Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O
-	log_k	12.32
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 3.00 25.0
-Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O
-	log_k	13.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 3.00 25.0
-Pb+2 + Acetate- = Pb(Acetate)+
-	log_k	2.68
-	delta_h	-0.4	kJ
-	-gamma	0	0
-		#                  Id:	6009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Acetate- = Pb(Acetate)2
-	log_k	4.08
-	delta_h	-0.8	kJ
-	-gamma	0	0
-		#                  Id:	6009922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Tl+ + Acetate- = Tl(Acetate)
-	log_k	-0.11
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + Acetate- = Zn(Acetate)+
-	log_k	1.58
-	delta_h	8.3	kJ
-	-gamma	0	0
-		#                  Id:	9509921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Acetate- = Zn(Acetate)2
-	log_k	2.6434
-	delta_h	22	kJ
-	-gamma	0	0
-		#                  Id:	9509922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Cd+2 + Acetate- = Cd(Acetate)+
-	log_k	1.93
-	delta_h	9.6	kJ
-	-gamma	0	0
-		#                  Id:	1609921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Acetate- = Cd(Acetate)2
-	log_k	2.86
-	delta_h	15	kJ
-	-gamma	0	0
-		#                  Id:	1609922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O
-	log_k	10.494
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O
-	log_k	13.83
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	 3.00 25.0
-Cu+2 + Acetate- = Cu(Acetate)+
-	log_k	2.21
-	delta_h	7.1	kJ
-	-gamma	0	0
-		#                  Id:	2319921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Acetate- = Cu(Acetate)2
-	log_k	3.4
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	2319922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3Acetate- = Cu(Acetate)3-
-	log_k	3.9434
-	delta_h	6.2	kJ
-	-gamma	0	0
-		#                  Id:	2319923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Ag+ + Acetate- = Ag(Acetate)
-	log_k	0.73
-	delta_h	3	kJ
-	-gamma	0	0
-		#                  Id:	209921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Acetate- = Ag(Acetate)2-
-	log_k	0.64
-	delta_h	3	kJ
-	-gamma	0	0
-		#                  Id:	209922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + Acetate- = Ni(Acetate)+
-	log_k	1.37
-	delta_h	8.7	kJ
-	-gamma	0	0
-		#                  Id:	5409921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2Acetate- = Ni(Acetate)2
-	log_k	2.1
-	delta_h	10	kJ
-	-gamma	0	0
-		#                  Id:	5409922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + Acetate- = Co(Acetate)+
-	log_k	1.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Acetate- = Co(Acetate)2
-	log_k	0.7565
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 2.00 25.0
-Fe+2 + Acetate- = Fe(Acetate)+
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Fe+3 + Acetate- = Fe(Acetate)+2
-	log_k	4.0234
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Fe+3 + 2Acetate- = Fe(Acetate)2+
-	log_k	7.5723
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Fe+3 + 3Acetate- = Fe(Acetate)3
-	log_k	9.5867
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Mn+2 + Acetate- = Mn(Acetate)+
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Cr+2 + Acetate- = Cr(Acetate)+
-	log_k	1.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Cr+2 + 2Acetate- = Cr(Acetate)2
-	log_k	2.92
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2109922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O
-	log_k	15.0073
-	delta_h	-125.62	kJ
-	-gamma	0	0
-		#                  Id:	2119921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O
-	log_k	17.9963
-	delta_h	-117.62	kJ
-	-gamma	0	0
-		#                  Id:	2119922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O
-	log_k	20.7858
-	delta_h	-96.62	kJ
-	-gamma	0	0
-		#                  Id:	2119923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.50 25.0
-Be+2 + Acetate- = Be(Acetate)+
-	log_k	2.0489
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Acetate- = Be(Acetate)2
-	log_k	3.0034
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + Acetate- = Mg(Acetate)+
-	log_k	1.27
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Ca+2 + Acetate- = Ca(Acetate)+
-	log_k	1.18
-	delta_h	4	kJ
-	-gamma	0	0
-		#                  Id:	1509920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Sr+2 + Acetate- = Sr(Acetate)+
-	log_k	1.14
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + Acetate- = Ba(Acetate)+
-	log_k	1.07
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Na+ + Acetate- = Na(Acetate)
-	log_k	-0.18
-	delta_h	12	kJ
-	-gamma	0	0
-		#                  Id:	5009920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-K+ + Acetate- = K(Acetate)
-	log_k	-0.1955
-	delta_h	4.184	kJ
-	-gamma	0	0
-		#                  Id:	4109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-H+ + Tartarate-2 = H(Tartarate)-
-	log_k	4.366
-	delta_h	-0.7531	kJ
-	-gamma	0	0
-		#                  Id:	3309931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Tartarate-2 = H2(Tartarate)
-	log_k	7.402
-	delta_h	-3.6819	kJ
-	-gamma	0	0
-		#                  Id:	3309932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O
-	log_k	13.1518
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	7909931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Pb+2 + Tartarate-2 = Pb(Tartarate)
-	log_k	3.98
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Tartarate-2 = Al(Tartarate)2-
-	log_k	9.37
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Tartarate-2 = Tl(Tartarate)-
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Tl+ + Tartarate-2 + H+ = TlH(Tartarate)
-	log_k	4.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Tartarate-2 = Zn(Tartarate)
-	log_k	3.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2
-	log_k	5.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+
-	log_k	5.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509933
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Tartarate-2 = Cd(Tartarate)
-	log_k	2.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O
-	log_k	14
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Tartarate-2 = Cu(Tartarate)
-	log_k	3.97
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+
-	log_k	6.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Tartarate-2 = Ni(Tartarate)
-	log_k	3.46
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+
-	log_k	5.89
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Tartarate-2 = Co(Tartarate)
-	log_k	3.05
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Tartarate-2 = Co(Tartarate)2-2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+
-	log_k	5.754
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009933
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 1.00 20.0
-Fe+2 + Tartarate-2 = Fe(Tartarate)
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Tartarate-2 = Fe(Tartarate)+
-	log_k	7.78
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Tartarate-2 = Mn(Tartarate)
-	log_k	3.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+
-	log_k	6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Tartarate-2 = Mg(Tartarate)
-	log_k	2.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+
-	log_k	5.75
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Be+2 + Tartarate-2 = Be(Tartarate)
-	log_k	2.768
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Be+2 + 2Tartarate-2 = Be(Tartarate)2-2
-	log_k	4.008
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Ca+2 + Tartarate-2 = Ca(Tartarate)
-	log_k	2.8
-	delta_h	-8.368	kJ
-	-gamma	0	0
-		#                  Id:	1509931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+
-	log_k	5.86
-	delta_h	-9.1211	kJ
-	-gamma	0	0
-		#                  Id:	1509932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Tartarate-2 = Sr(Tartarate)
-	log_k	2.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 20.0
-Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+
-	log_k	5.8949
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Tartarate-2 = Ba(Tartarate)
-	log_k	2.54
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+
-	log_k	5.77
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Na+ + Tartarate-2 = Na(Tartarate)-
-	log_k	0.9
-	delta_h	-0.8368	kJ
-	-gamma	0	0
-		#                  Id:	5009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Na+ + Tartarate-2 + H+ = NaH(Tartarate)
-	log_k	4.58
-	delta_h	-2.8451	kJ
-	-gamma	0	0
-		#                  Id:	5009932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-K+ + Tartarate-2 = K(Tartarate)-
-	log_k	0.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4109931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Glycine- = H(Glycine)
-	log_k	9.778
-	delta_h	-44.3504	kJ
-	-gamma	0	0
-		#                  Id:	3309941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Glycine- = H2(Glycine)+
-	log_k	12.128
-	delta_h	-48.4507	kJ
-	-gamma	0	0
-		#                  Id:	3309942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Glycine- = Pb(Glycine)+
-	log_k	5.47
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + 2Glycine- = Pb(Glycine)2
-	log_k	8.86
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Tl+ + Glycine- = Tl(Glycine)
-	log_k	1.72
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8709941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Glycine- = Zn(Glycine)+
-	log_k	5.38
-	delta_h	-11.7152	kJ
-	-gamma	0	0
-		#                  Id:	9509941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Glycine- = Zn(Glycine)2
-	log_k	9.81
-	delta_h	-24.2672	kJ
-	-gamma	0	0
-		#                  Id:	9509942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Glycine- = Zn(Glycine)3-
-	log_k	12.3
-	delta_h	-39.748	kJ
-	-gamma	0	0
-		#                  Id:	9509943
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Glycine- = Cd(Glycine)+
-	log_k	4.69
-	delta_h	-8.7864	kJ
-	-gamma	0	0
-		#                  Id:	1609941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Glycine- = Cd(Glycine)2
-	log_k	8.4
-	delta_h	-22.5936	kJ
-	-gamma	0	0
-		#                  Id:	1609942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Glycine- = Cd(Glycine)3-
-	log_k	10.7
-	delta_h	-35.9824	kJ
-	-gamma	0	0
-		#                  Id:	1609943
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O
-	log_k	17
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619941
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O
-	log_k	25.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+ + 2Glycine- = Cu(Glycine)2-
-	log_k	10.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2309941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Glycine- = Cu(Glycine)+
-	log_k	8.57
-	delta_h	-25.104	kJ
-	-gamma	0	0
-		#                  Id:	2319941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Glycine- = Cu(Glycine)2
-	log_k	15.7
-	delta_h	-54.8104	kJ
-	-gamma	0	0
-		#                  Id:	2319942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Glycine- = Ag(Glycine)
-	log_k	3.51
-	delta_h	-19.2464	kJ
-	-gamma	0	0
-		#                  Id:	209941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Glycine- = Ag(Glycine)2-
-	log_k	6.89
-	delta_h	-48.116	kJ
-	-gamma	0	0
-		#                  Id:	209942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Glycine- = Ni(Glycine)+
-	log_k	6.15
-	delta_h	-18.828	kJ
-	-gamma	0	0
-		#                  Id:	5409941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Glycine- = Ni(Glycine)2
-	log_k	11.12
-	delta_h	-38.0744	kJ
-	-gamma	0	0
-		#                  Id:	5409942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Glycine- = Ni(Glycine)3-
-	log_k	14.63
-	delta_h	-62.3416	kJ
-	-gamma	0	0
-		#                  Id:	5409943
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Co+2 + Glycine- = Co(Glycine)+
-	log_k	5.07
-	delta_h	-12	kJ
-	-gamma	0	0
-		#                  Id:	2009941
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Glycine- = Co(Glycine)2
-	log_k	9.07
-	delta_h	-26	kJ
-	-gamma	0	0
-		#                  Id:	2009942
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + 3Glycine- = Co(Glycine)3-
-	log_k	11.6
-	delta_h	-41	kJ
-	-gamma	0	0
-		#                  Id:	2009943
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + Glycine- + H2O = CoOH(Glycine) + H+
-	log_k	-5.02
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009944
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Fe+2 + Glycine- = Fe(Glycine)+
-	log_k	4.31
-	delta_h	-15.0624	kJ
-	-gamma	0	0
-		#                  Id:	2809941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Glycine- = Fe(Glycine)2
-	log_k	8.29
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Glycine- = Fe(Glycine)+2
-	log_k	9.38
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Glycine- + H+ = FeH(Glycine)+3
-	log_k	11.55
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Glycine- = Mn(Glycine)+
-	log_k	3.19
-	delta_h	-1.2552	kJ
-	-gamma	0	0
-		#                  Id:	4709941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Glycine- = Mn(Glycine)2
-	log_k	5.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O
-	log_k	18.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119941
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O
-	log_k	25.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O
-	log_k	31.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119943
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mg+2 + Glycine- = Mg(Glycine)+
-	log_k	2.08
-	delta_h	4.184	kJ
-	-gamma	0	0
-		#                  Id:	4609941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Glycine- = Ca(Glycine)+
-	log_k	1.39
-	delta_h	-4.184	kJ
-	-gamma	0	0
-		#                  Id:	1509941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Glycine- + H+ = CaH(Glycine)+2
-	log_k	10.1
-	delta_h	-35.9824	kJ
-	-gamma	0	0
-		#                  Id:	1509942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Glycine- = Sr(Glycine)+
-	log_k	0.91
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009941
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.00 25.0
-Ba+2 + Glycine- = Ba(Glycine)+
-	log_k	0.77
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Salicylate-2 = H(Salicylate)-
-	log_k	13.7
-	delta_h	-35.7732	kJ
-	-gamma	0	0
-		#                  Id:	3309951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Salicylate-2 = H2(Salicylate)
-	log_k	16.8
-	delta_h	-38.7857	kJ
-	-gamma	0	0
-		#                  Id:	3309952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Salicylate-2 = Zn(Salicylate)
-	log_k	7.71
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509951
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+
-	log_k	15.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Salicylate-2 = Cd(Salicylate)
-	log_k	6.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+
-	log_k	16
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Salicylate-2 = Cu(Salicylate)
-	log_k	11.3
-	delta_h	-17.9912	kJ
-	-gamma	0	0
-		#                  Id:	2319951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2
-	log_k	19.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+
-	log_k	14.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2319953
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Salicylate-2 = Ni(Salicylate)
-	log_k	8.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2
-	log_k	12.64
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409952
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Co+2 + Salicylate-2 = Co(Salicylate)
-	log_k	7.4289
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009951
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Co+2 + 2Salicylate-2 = Co(Salicylate)2-2
-	log_k	11.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009952
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 20.0
-Fe+2 + Salicylate-2 = Fe(Salicylate)
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2
-	log_k	11.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2809952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Salicylate-2 = Fe(Salicylate)+
-	log_k	17.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + 2Salicylate-2 = Fe(Salicylate)2-
-	log_k	29.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2819952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + Salicylate-2 = Mn(Salicylate)
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2
-	log_k	10.1
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Be+2 + Salicylate-2 = Be(Salicylate)
-	log_k	13.3889
-	delta_h	-31.7732	kJ
-	-gamma	0	0
-		#                  Id:	1109951
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Salicylate-2 = Be(Salicylate)2-2
-	log_k	23.25
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109952
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + Salicylate-2 = Mg(Salicylate)
-	log_k	5.76
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609952
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ca+2 + Salicylate-2 = Ca(Salicylate)
-	log_k	4.05
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+
-	log_k	14.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+
-	log_k	13.9
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009951
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-H+ + Glutamate-2 = H(Glutamate)-
-	log_k	9.96
-	delta_h	-41.0032	kJ
-	-gamma	0	0
-		#                  Id:	3309961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Glutamate-2 = H2(Glutamate)
-	log_k	14.26
-	delta_h	-43.5136	kJ
-	-gamma	0	0
-		#                  Id:	3309962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Glutamate-2 = H3(Glutamate)+
-	log_k	16.42
-	delta_h	-46.8608	kJ
-	-gamma	0	0
-		#                  Id:	3309963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Glutamate-2 = Pb(Glutamate)
-	log_k	6.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2
-	log_k	8.61
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+
-	log_k	14.08
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2
-	log_k	13.07
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Glutamate-2 = Zn(Glutamate)
-	log_k	6.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2
-	log_k	9.13
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4
-	log_k	9.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + Glutamate-2 = Cd(Glutamate)
-	log_k	4.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2
-	log_k	7.59
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O
-	log_k	19.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O
-	log_k	26.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	3619962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+2 + Glutamate-2 = Cu(Glutamate)
-	log_k	9.17
-	delta_h	-20.92	kJ
-	-gamma	0	0
-		#                  Id:	2319961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2
-	log_k	15.78
-	delta_h	-48.116	kJ
-	-gamma	0	0
-		#                  Id:	2319962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+
-	log_k	13.3
-	delta_h	-28.0328	kJ
-	-gamma	0	0
-		#                  Id:	2319963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + Glutamate-2 = Ag(Glutamate)-
-	log_k	4.22
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3
-	log_k	7.36
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Ag+ + Glutamate-2 = Ag2(Glutamate)
-	log_k	3.4
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	209963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Glutamate-2 = Ni(Glutamate)
-	log_k	6.47
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2
-	log_k	10.7
-	delta_h	-30.9616	kJ
-	-gamma	0	0
-		#                  Id:	5409962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Glutamate-2 = Co(Glutamate)
-	log_k	5.4178
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009961
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Glutamate-2 = Co(Glutamate)2-2
-	log_k	8.7178
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009962
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Mn+2 + Glutamate-2 = Mn(Glutamate)
-	log_k	4.95
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2
-	log_k	8.48
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4709962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O
-	log_k	22.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O
-	log_k	30.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O
-	log_k	25.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mg+2 + Glutamate-2 = Mg(Glutamate)
-	log_k	2.8
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Glutamate-2 = Ca(Glutamate)
-	log_k	2.06
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+
-	log_k	11.13
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sr+2 + Glutamate-2 = Sr(Glutamate)
-	log_k	2.2278
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	8009961
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Ba+2 + Glutamate-2 = Ba(Glutamate)
-	log_k	2.14
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-H+ + Phthalate-2 = H(Phthalate)-
-	log_k	5.408
-	delta_h	2.1757	kJ
-	-gamma	0	0
-		#                  Id:	3309971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Phthalate-2 = H2(Phthalate)
-	log_k	8.358
-	delta_h	4.8534	kJ
-	-gamma	0	0
-		#                  Id:	3309972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Phthalate-2 = Pb(Phthalate)
-	log_k	4.26
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2
-	log_k	4.83
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+
-	log_k	6.98
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	6009973
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + Phthalate-2 = Al(Phthalate)+
-	log_k	4.56
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Phthalate-2 = Al(Phthalate)2-
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	309972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Phthalate-2 = Zn(Phthalate)
-	log_k	2.91
-	delta_h	13.3888	kJ
-	-gamma	0	0
-		#                  Id:	9509971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2
-	log_k	4.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	9509972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Phthalate-2 = Cd(Phthalate)
-	log_k	3.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+
-	log_k	6.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609973
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2
-	log_k	3.7
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1609972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Phthalate-2 = Cu(Phthalate)
-	log_k	4.02
-	delta_h	8.368	kJ
-	-gamma	0	0
-		#                  Id:	2319971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+
-	log_k	7.1
-	delta_h	3.8493	kJ
-	-gamma	0	0
-		#                  Id:	2319970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2
-	log_k	5.3
-	delta_h	15.8992	kJ
-	-gamma	0	0
-		#                  Id:	2319972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Phthalate-2 = Ni(Phthalate)
-	log_k	2.95
-	delta_h	7.5312	kJ
-	-gamma	0	0
-		#                  Id:	5409971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+
-	log_k	6.6
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	5409972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Co+2 + Phthalate-2 = Co(Phthalate)
-	log_k	2.83
-	delta_h	7.9	kJ
-	-gamma	0	0
-		#                  Id:	2009971
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
-		#T and ionic strength:	 0.00 25.0
-Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+
-	log_k	7.227
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2009972
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.50 25.0
-Mn+2 + Phthalate-2 = Mn(Phthalate)
-	log_k	2.74
-	delta_h	10.0416	kJ
-	-gamma	0	0
-		#                  Id:	4709971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O
-	log_k	16.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O
-	log_k	21.2
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119972
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O
-	log_k	23.3
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	2119973
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Be+2 + Phthalate-2 = Be(Phthalate)
-	log_k	4.8278
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109971
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Phthalate-2 = Be(Phthalate)2-2
-	log_k	6.5478
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1109972
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	 0.10 25.0
-Mg+2 + Phthalate-2 = Mg(Phthalate)
-	log_k	2.49
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	4609971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ca+2 + Phthalate-2 = Ca(Phthalate)
-	log_k	2.45
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+
-	log_k	6.43
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1509971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Phthalate-2 = Ba(Phthalate)
-	log_k	2.33
-	delta_h	0	kJ
-	-gamma	0	0
-		#                  Id:	1009971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Na+ + Phthalate-2 = Na(Phthalate)-
-	log_k	0.8
-	delta_h	4.184	kJ
-	-gamma	0	0
-		#                  Id:	5009970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-K+ + Phthalate-2 = K(Phthalate)-
-	log_k	0.7
-	delta_h	3.7656	kJ
-	-gamma	0	0
-		#                  Id:	4109971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-PHASES
-Sulfur
-	S + H+ + 2e- = HS-
-	log_k	-2.1449
-	delta_h	-16.3	kJ
-Semetal(hex
-	Se + H+ + 2e- = HSe-
-	log_k	-7.7084
-	delta_h	15.9	kJ
-Semetal(am)
-	Se + H+ + 2e- = HSe-
-	log_k	-7.1099
-	delta_h	10.8784	kJ
-Sbmetal
-	Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
-	log_k	-11.6889
-	delta_h	83.89	kJ
-Snmetal(wht)
-	Sn + 2H2O = Sn(OH)2 + 2H+ + 2e-
-	log_k	-2.3266
-	delta_h	-0	kJ
-Pbmetal
-	Pb = Pb+2 + 2e-
-	log_k	4.2462
-	delta_h	0.92	kJ
-Tlmetal
-	Tl = Tl+ + e-
-	log_k	5.6762
-	delta_h	5.36	kJ
-Znmetal
-	Zn = Zn+2 + 2e-
-	log_k	25.7886
-	delta_h	-153.39	kJ
-Cdmetal(alpha)
-	Cd = Cd+2 + 2e-
-	log_k	13.5147
-	delta_h	-75.33	kJ
-Cdmetal(gamma)
-	Cd = Cd+2 + 2e-
-	log_k	13.618
-	delta_h	-75.92	kJ
-Hgmetal(l)
-	Hg = 0.5Hg2+2 + e-
-	log_k	-13.4517
-	delta_h	83.435	kJ
-Cumetal
-	Cu = Cu+ + e-
-	log_k	-8.756
-	delta_h	71.67	kJ
-Agmetal
-	Ag = Ag+ + e-
-	log_k	-13.5065
-	delta_h	105.79	kJ
-Crmetal
-	Cr = Cr+2 + 2e-
-	log_k	30.4831
-	delta_h	-172	kJ
-Vmetal
-	V = V+3 + 3e-
-	log_k	44.0253
-	delta_h	-259	kJ
-Stibnite
-	Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS-
-	log_k	-50.46
-	delta_h	293.78	kJ
-Orpiment
-	As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
-	log_k	-61.0663
-	delta_h	350.68	kJ
-Realgar
-	AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
-	log_k	-19.747
-	delta_h	127.8	kJ
-SnS
-	SnS + 2H2O = Sn(OH)2 + H+ + HS-
-	log_k	-19.114
-	delta_h	-0	kJ
-SnS2
-	SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS-
-	log_k	-57.4538
-	delta_h	-0	kJ
-Galena
-	PbS + H+ = Pb+2 + HS-
-	log_k	-13.97
-	delta_h	80	kJ
-Tl2S
-	Tl2S + H+ = 2Tl+ + HS-
-	log_k	-7.19
-	delta_h	91.52	kJ
-ZnS(am)
-	ZnS + H+ = Zn+2 + HS-
-	log_k	-9.052
-	delta_h	15.3553	kJ
-Sphalerite
-	ZnS + H+ = Zn+2 + HS-
-	log_k	-11.45
-	delta_h	30	kJ
-Wurtzite
-	ZnS + H+ = Zn+2 + HS-
-	log_k	-8.95
-	delta_h	21.171	kJ
-Greenockite
-	CdS + H+ = Cd+2 + HS-
-	log_k	-14.36
-	delta_h	55	kJ
-Hg2S
-	Hg2S + H+ = Hg2+2 + HS-
-	log_k	-11.6765
-	delta_h	69.7473	kJ
-Cinnabar
-	HgS + 2H2O = Hg(OH)2 + H+ + HS-
-	log_k	-45.694
-	delta_h	253.76	kJ
-Metacinnabar
-	HgS + 2H2O = Hg(OH)2 + H+ + HS-
-	log_k	-45.094
-	delta_h	253.72	kJ
-Chalcocite
-	Cu2S + H+ = 2Cu+ + HS-
-	log_k	-34.92
-	delta_h	168	kJ
-Djurleite
-	Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
-	log_k	-33.92
-	delta_h	200.334	kJ
-Anilite
-	Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
-	log_k	-31.878
-	delta_h	182.15	kJ
-BlaubleiII
-	Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
-	log_k	-27.279
-	delta_h	-0	kJ
-BlaubleiI
-	Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
-	log_k	-24.162
-	delta_h	-0	kJ
-Covellite
-	CuS + H+ = Cu+2 + HS-
-	log_k	-22.3
-	delta_h	97	kJ
-Chalcopyrite
-	CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
-	log_k	-35.27
-	delta_h	148.448	kJ
-Acanthite
-	Ag2S + H+ = 2Ag+ + HS-
-	log_k	-36.22
-	delta_h	227	kJ
-NiS(alpha)
-	NiS + H+ = Ni+2 + HS-
-	log_k	-5.6
-	delta_h	-0	kJ
-NiS(beta)
-	NiS + H+ = Ni+2 + HS-
-	log_k	-11.1
-	delta_h	-0	kJ
-NiS(gamma)
-	NiS + H+ = Ni+2 + HS-
-	log_k	-12.8
-	delta_h	-0	kJ
-CoS(alpha)
-	CoS + H+ = Co+2 + HS-
-	log_k	-7.44
-	delta_h	-0	kJ
-CoS(beta)
-	CoS + H+ = Co+2 + HS-
-	log_k	-11.07
-	delta_h	-0	kJ
-FeS(ppt)
-	FeS + H+ = Fe+2 + HS-
-	log_k	-2.95
-	delta_h	-11	kJ
-Greigite
-	Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
-	log_k	-45.035
-	delta_h	-0	kJ
-Mackinawite
-	FeS + H+ = Fe+2 + HS-
-	log_k	-3.6
-	delta_h	-0	kJ
-Pyrite
-	FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
-	log_k	-18.5082
-	delta_h	49.844	kJ
-MnS(grn)
-	MnS + H+ = Mn+2 + HS-
-	log_k	0.17
-	delta_h	-32	kJ
-MnS(pnk)
-	MnS + H+ = Mn+2 + HS-
-	log_k	3.34
-	delta_h	-0	kJ
-MoS2
-	MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e-
-	log_k	-70.2596
-	delta_h	389.02	kJ
-BeS
-	BeS + H+ = Be+2 + HS-
-	log_k	19.38
-	delta_h	-0	kJ
-BaS
-	BaS + H+ = Ba+2 + HS-
-	log_k	16.18
-	delta_h	-0	kJ
-Hg2(Cyanide)2
-	Hg2(Cyanide)2 = Hg2+2 + 2Cyanide-
-	log_k	-39.3
-	delta_h	-0	kJ
-CuCyanide
-	CuCyanide = Cu+ + Cyanide-
-	log_k	-19.5
-	delta_h	-19	kJ
-AgCyanide
-	AgCyanide = Ag+ + Cyanide-
-	log_k	-15.74
-	delta_h	110.395	kJ
-Ag2(Cyanide)2
-	Ag2(Cyanide)2 = 2Ag+ + 2Cyanide-
-	log_k	-11.3289
-	delta_h	-0	kJ
-NaCyanide(cubic)
-	NaCyanide = Cyanide- + Na+
-	log_k	1.6012
-	delta_h	0.969	kJ
-KCyanide(cubic)
-	KCyanide = Cyanide- + K+
-	log_k	1.4188
-	delta_h	11.93	kJ
-Pb2Fe(Cyanide)6
-	Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide-
-	log_k	-53.42
-	delta_h	-0	kJ
-Zn2Fe(Cyanide)6
-	Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide-
-	log_k	-51.08
-	delta_h	-0	kJ
-Cd2Fe(Cyanide)6
-	Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide-
-	log_k	-52.78
-	delta_h	-0	kJ
-Ag4Fe(Cyanide)6
-	Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide-
-	log_k	-79.47
-	delta_h	-0	kJ
-Ag3Fe(Cyanide)6
-	Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide-
-	log_k	-72.7867
-	delta_h	-0	kJ
-Mn3(Fe(Cyanide)6)2
-	Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide-
-	log_k	-105.4
-	delta_h	-0	kJ
-Sb2Se3
-	Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
-	log_k	-67.7571
-	delta_h	343.046	kJ
-SnSe
-	SnSe + 2H2O = Sn(OH)2 + H+ + HSe-
-	log_k	-30.494
-	delta_h	-0	kJ
-SnSe2
-	SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe-
-	log_k	-65.1189
-	delta_h	-0	kJ
-Clausthalite
-	PbSe + H+ = Pb+2 + HSe-
-	log_k	-27.1
-	delta_h	119.72	kJ
-Tl2Se
-	Tl2Se + H+ = 2Tl+ + HSe-
-	log_k	-18.1
-	delta_h	85.62	kJ
-ZnSe
-	ZnSe + H+ = Zn+2 + HSe-
-	log_k	-14.4
-	delta_h	25.51	kJ
-CdSe
-	CdSe + H+ = Cd+2 + HSe-
-	log_k	-20.2
-	delta_h	75.9814	kJ
-HgSe
-	HgSe + 2H2O = Hg(OH)2 + H+ + HSe-
-	log_k	-55.694
-	delta_h	-0	kJ
-Cu2Se(alpha)
-	Cu2Se + H+ = 2Cu+ + HSe-
-	log_k	-45.8
-	delta_h	214.263	kJ
-Cu3Se2
-	Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
-	log_k	-63.4911
-	delta_h	340.327	kJ
-CuSe
-	CuSe + H+ = Cu+2 + HSe-
-	log_k	-33.1
-	delta_h	121.127	kJ
-CuSe2
-	CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
-	log_k	-33.3655
-	delta_h	140.582	kJ
-Ag2Se
-	Ag2Se + H+ = 2Ag+ + HSe-
-	log_k	-48.7
-	delta_h	265.48	kJ
-NiSe
-	NiSe + H+ = Ni+2 + HSe-
-	log_k	-17.7
-	delta_h	-0	kJ
-CoSe
-	CoSe + H+ = Co+2 + HSe-
-	log_k	-16.2
-	delta_h	-0	kJ
-FeSe
-	FeSe + H+ = Fe+2 + HSe-
-	log_k	-11
-	delta_h	2.092	kJ
-Ferroselite
-	FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
-	log_k	-18.5959
-	delta_h	47.2792	kJ
-MnSe
-	MnSe + H+ = Mn+2 + HSe-
-	log_k	3.5
-	delta_h	-98.15	kJ
-AlSb
-	AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
-	log_k	65.6241
-	delta_h	-0	kJ
-ZnSb
-	ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
-	log_k	11.0138
-	delta_h	-54.8773	kJ
-CdSb
-	CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
-	log_k	-0.3501
-	delta_h	22.36	kJ
-Cu2Sb:3H2O
-	Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
-	log_k	-34.8827
-	delta_h	233.237	kJ
-Cu3Sb
-	Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
-	log_k	-42.5937
-	delta_h	308.131	kJ
-#Ag4Sb
-#	Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
-#	log_k	-56.1818
-#	delta_h	-0	kJ
-Breithauptite
-	NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
-	log_k	-18.5225
-	delta_h	96.0019	kJ
-MnSb
-	MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
-	log_k	-2.9099
-	delta_h	21.1083	kJ
-Mn2Sb
-	Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
-	log_k	61.0796
-	delta_h	-0	kJ
-USb2
-	USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
-	log_k	29.5771
-	delta_h	-103.56	kJ
-U3Sb4
-	U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
-	log_k	152.383
-	delta_h	-986.04	kJ
-Mg2Sb3
-	Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
-	log_k	74.6838
-	delta_h	-0	kJ
-Ca3Sb2
-	Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
-	log_k	142.974
-	delta_h	-732.744	kJ
-NaSb
-	NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
-	log_k	23.1658
-	delta_h	-93.45	kJ
-Na3Sb
-	Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
-	log_k	94.4517
-	delta_h	-432.13	kJ
-SeO2
-	SeO2 + H2O = HSeO3- + H+
-	log_k	0.1246
-	delta_h	1.4016	kJ
-SeO3
-	SeO3 + H2O = SeO4-2 + 2H+
-	log_k	21.044
-	delta_h	-146.377	kJ
-Sb2O5
-	Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
-	log_k	-9.6674
-	delta_h	-0	kJ
-SbO2
-	SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
-	log_k	-27.8241
-	delta_h	-0	kJ
-Sb2O4
-	Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
-	log_k	3.4021
-	delta_h	-68.04	kJ
-Sb4O6(cubic)
-	Sb4O6 + 6H2O = 4Sb(OH)3
-	log_k	-18.2612
-	delta_h	61.1801	kJ
-Sb4O6(orth)
-	Sb4O6 + 6H2O = 4Sb(OH)3
-	log_k	-17.9012
-	delta_h	37.6801	kJ
-Sb(OH)3
-	Sb(OH)3 = Sb(OH)3
-	log_k	-7.1099
-	delta_h	30.1248	kJ
-Senarmontite
-	Sb2O3 + 3H2O = 2Sb(OH)3
-	log_k	-12.3654
-	delta_h	30.6478	kJ
-Valentinite
-	Sb2O3 + 3H2O = 2Sb(OH)3
-	log_k	-8.4806
-	delta_h	19.0163	kJ
-Chalcedony
-	SiO2 + 2H2O = H4SiO4
-	log_k	-3.55
-	delta_h	19.7	kJ
-Cristobalite
-	SiO2 + 2H2O = H4SiO4
-	log_k	-3.35
-	delta_h	20.006	kJ
-Quartz
-	SiO2 + 2H2O = H4SiO4
-	log_k	-4
-	delta_h	22.36	kJ
-SiO2(am-gel)
-	SiO2 + 2H2O = H4SiO4
-	log_k	-2.71
-	delta_h	14	kJ
-SiO2(am-ppt)
-	SiO2 + 2H2O = H4SiO4
-	log_k	-2.74
-	delta_h	15.15	kJ
-SnO
-	SnO + H2O = Sn(OH)2
-	log_k	-4.9141
-	delta_h	-0	kJ
-SnO2
-	SnO2 + 4H2O = Sn(OH)6-2 + 2H+
-	log_k	-28.9749
-	delta_h	-0	kJ
-Sn(OH)2
-	Sn(OH)2 = Sn(OH)2
-	log_k	-5.4309
-	delta_h	-0	kJ
-Sn(OH)4
-	Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+
-	log_k	-22.2808
-	delta_h	-0	kJ
-H2Sn(OH)6
-	H2Sn(OH)6 = Sn(OH)6-2 + 2H+
-	log_k	-23.5281
-	delta_h	-0	kJ
-Massicot
-	PbO + 2H+ = Pb+2 + H2O
-	log_k	12.894
-	delta_h	-66.848	kJ
-Litharge
-	PbO + 2H+ = Pb+2 + H2O
-	log_k	12.694
-	delta_h	-65.501	kJ
-PbO:0.3H2O
-	PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
-	log_k	12.98
-	delta_h	-0	kJ
-Plattnerite
-	PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
-	log_k	49.6001
-	delta_h	-296.27	kJ
-Pb(OH)2
-	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
-	log_k	8.15
-	delta_h	-58.5342	kJ
-Pb2O(OH)2
-	Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
-	log_k	26.188
-	delta_h	-0	kJ
-Al(OH)3(am)
-	Al(OH)3 + 3H+ = Al+3 + 3H2O
-	log_k	10.8
-	delta_h	-111	kJ
-Boehmite
-	AlOOH + 3H+ = Al+3 + 2H2O
-	log_k	8.578
-	delta_h	-117.696	kJ
-Diaspore
-	AlOOH + 3H+ = Al+3 + 2H2O
-	log_k	6.873
-	delta_h	-103.052	kJ
-Gibbsite
-	Al(OH)3 + 3H+ = Al+3 + 3H2O
-	log_k	8.291
-	delta_h	-95.3952	kJ
-Tl2O
-	Tl2O + 2H+ = 2Tl+ + H2O
-	log_k	27.0915
-	delta_h	-96.41	kJ
-TlOH
-	TlOH + H+ = Tl+ + H2O
-	log_k	12.9186
-	delta_h	-41.57	kJ
-Avicennite
-	Tl2O3 + 3H2O = 2Tl(OH)3
-	log_k	-13
-	delta_h	-0	kJ
-Tl(OH)3
-	Tl(OH)3 = Tl(OH)3
-	log_k	-5.441
-	delta_h	-0	kJ
-Zn(OH)2(am)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	12.474
-	delta_h	-80.62	kJ
-Zn(OH)2
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	12.2
-	delta_h	-0	kJ
-Zn(OH)2(beta)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.754
-	delta_h	-83.14	kJ
-Zn(OH)2(gamma)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.734
-	delta_h	-0	kJ
-Zn(OH)2(epsilon)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.534
-	delta_h	-81.8	kJ
-ZnO(active)
-	ZnO + 2H+ = Zn+2 + H2O
-	log_k	11.1884
-	delta_h	-88.76	kJ
-Zincite
-	ZnO + 2H+ = Zn+2 + H2O
-	log_k	11.334
-	delta_h	-89.62	kJ
-Cd(OH)2(am)
-	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-	log_k	13.73
-	delta_h	-86.9017	kJ
-Cd(OH)2
-	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-	log_k	13.644
-	delta_h	-94.62	kJ
-Monteponite
-	CdO + 2H+ = Cd+2 + H2O
-	log_k	15.1034
-	delta_h	-103.4	kJ
-Hg2(OH)2
-	Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
-	log_k	5.2603
-	delta_h	-0	kJ
-Montroydite
-	HgO + H2O = Hg(OH)2
-	log_k	-3.64
-	delta_h	-38.9	kJ
-Hg(OH)2
-	Hg(OH)2 = Hg(OH)2
-	log_k	-3.4963
-	delta_h	-0	kJ
-Cuprite
-	Cu2O + 2H+ = 2Cu+ + H2O
-	log_k	-1.406
-	delta_h	-124.02	kJ
-Cu(OH)2
-	Cu(OH)2 + 2H+ = Cu+2 + 2H2O
-	log_k	8.674
-	delta_h	-56.42	kJ
-Tenorite
-	CuO + 2H+ = Cu+2 + H2O
-	log_k	7.644
-	delta_h	-64.867	kJ
-Ag2O
-	Ag2O + 2H+ = 2Ag+ + H2O
-	log_k	12.574
-	delta_h	-45.62	kJ
-Ni(OH)2
-	Ni(OH)2 + 2H+ = Ni+2 + 2H2O
-	log_k	12.794
-	delta_h	-95.96	kJ
-Bunsenite
-	NiO + 2H+ = Ni+2 + H2O
-	log_k	12.4456
-	delta_h	-100.13	kJ
-CoO
-	CoO + 2H+ = Co+2 + H2O
-	log_k	13.5864
-	delta_h	-106.295	kJ
-Co(OH)2
-	Co(OH)2 + 2H+ = Co+2 + 2H2O
-	log_k	13.094
-	delta_h	-0	kJ
-Co(OH)3
-	Co(OH)3 + 3H+ = Co+3 + 3H2O
-	log_k	-2.309
-	delta_h	-92.43	kJ
-#Wustite-0.11
-#	WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O
-#	log_k	11.6879
-#	delta_h	-103.938	kJ
-Fe(OH)2
-	Fe(OH)2 + 2H+ = Fe+2 + 2H2O
-	log_k	13.564
-	delta_h	-0	kJ
-Ferrihydrite
-	Fe(OH)3 + 3H+ = Fe+3 + 3H2O
-	log_k	3.191
-	delta_h	-73.374	kJ
-Fe3(OH)8
-	Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
-	log_k	20.222
-	delta_h	-0	kJ
-Goethite
-	FeOOH + 3H+ = Fe+3 + 2H2O
-	log_k	0.491
-	delta_h	-60.5843	kJ
-Pyrolusite
-	MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
-	log_k	41.38
-	delta_h	-272	kJ
-Birnessite
-	MnO2 + 4H+ + e- = Mn+3 + 2H2O
-	log_k	18.091
-	delta_h	-0	kJ
-Nsutite
-	MnO2 + 4H+ + e- = Mn+3 + 2H2O
-	log_k	17.504
-	delta_h	-0	kJ
-Pyrochroite
-	Mn(OH)2 + 2H+ = Mn+2 + 2H2O
-	log_k	15.194
-	delta_h	-97.0099	kJ
-Manganite
-	MnOOH + 3H+ + e- = Mn+2 + 2H2O
-	log_k	25.34
-	delta_h	-0	kJ
-Cr(OH)2
-	Cr(OH)2 + 2H+ = Cr+2 + 2H2O
-	log_k	10.8189
-	delta_h	-35.6058	kJ
-Cr(OH)3(am)
-	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-	log_k	-0.75
-	delta_h	-0	kJ
-Cr(OH)3
-	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-	log_k	1.3355
-	delta_h	-29.7692	kJ
-CrO3
-	CrO3 + H2O = CrO4-2 + 2H+
-	log_k	-3.2105
-	delta_h	-5.2091	kJ
-MoO3
-	MoO3 + H2O = MoO4-2 + 2H+
-	log_k	-8
-	delta_h	-0	kJ
-VO
-	VO + 2H+ = V+3 + H2O + e-
-	log_k	14.7563
-	delta_h	-113.041	kJ
-V(OH)3
-	V(OH)3 + 3H+ = V+3 + 3H2O
-	log_k	7.591
-	delta_h	-0	kJ
-VO(OH)2
-	VO(OH)2 + 2H+ = VO+2 + 2H2O
-	log_k	5.1506
-	delta_h	-0	kJ
-Uraninite
-	UO2 + 4H+ = U+4 + 2H2O
-	log_k	-4.6693
-	delta_h	-77.86	kJ
-UO2(am)
-	UO2 + 4H+ = U+4 + 2H2O
-	log_k	0.934
-	delta_h	-109.746	kJ
-UO3
-	UO3 + 2H+ = UO2+2 + H2O
-	log_k	7.7
-	delta_h	-81.0299	kJ
-Gummite
-	UO3 + 2H+ = UO2+2 + H2O
-	log_k	7.6718
-	delta_h	-81.0299	kJ
-UO2(OH)2(beta)
-	UO2(OH)2 + 2H+ = UO2+2 + 2H2O
-	log_k	5.6116
-	delta_h	-56.7599	kJ
-Schoepite
-	UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
-	log_k	5.994
-	delta_h	-49.79	kJ
-Be(OH)2(am)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	7.194
-	delta_h	-0	kJ
-Be(OH)2(alpha)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	6.894
-	delta_h	-0	kJ
-Be(OH)2(beta)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	6.494
-	delta_h	-0	kJ
-Brucite
-	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-	log_k	16.844
-	delta_h	-113.996	kJ
-Periclase
-	MgO + 2H+ = Mg+2 + H2O
-	log_k	21.5841
-	delta_h	-151.23	kJ
-Mg(OH)2(active)
-	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-	log_k	18.794
-	delta_h	-0	kJ
-Lime
-	CaO + 2H+ = Ca+2 + H2O
-	log_k	32.6993
-	delta_h	-193.91	kJ
-Portlandite
-	Ca(OH)2 + 2H+ = Ca+2 + 2H2O
-	log_k	22.804
-	delta_h	-128.62	kJ
-Ba(OH)2:8H2O
-	Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O
-	log_k	24.394
-	delta_h	-54.32	kJ
-Cu(SbO3)2
-	Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
-	log_k	45.2105
-	delta_h	-0	kJ
-Arsenolite
-	As2O3 + 3H2O = 2H3AsO3
-	log_k	-1.38
-	delta_h	59.9567	kJ
-Claudetite
-	As2O3 + 3H2O = 2H3AsO3
-	log_k	-1.5325
-	delta_h	55.6054	kJ
-As2O5
-	As2O5 + 3H2O = 2H3AsO4
-	log_k	6.7061
-	delta_h	-22.64	kJ
-Pb2O3
-	Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
-	log_k	61.04
-	delta_h	-0	kJ
-Minium
-	Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
-	log_k	73.5219
-	delta_h	-421.874	kJ
-Al2O3
-	Al2O3 + 6H+ = 2Al+3 + 3H2O
-	log_k	19.6524
-	delta_h	-258.59	kJ
-Co3O4
-	Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O
-	log_k	-10.4956
-	delta_h	-107.5	kJ
-CoFe2O4
-	CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O
-	log_k	-3.5281
-	delta_h	-158.82	kJ
-Magnetite
-	Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
-	log_k	3.4028
-	delta_h	-208.526	kJ
-Hercynite
-	FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
-	log_k	22.893
-	delta_h	-313.92	kJ
-Hematite
-	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-	log_k	-1.418
-	delta_h	-128.987	kJ
-Maghemite
-	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-	log_k	6.386
-	delta_h	-0	kJ
-Lepidocrocite
-	FeOOH + 3H+ = Fe+3 + 2H2O
-	log_k	1.371
-	delta_h	-0	kJ
-Hausmannite
-	Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
-	log_k	61.03
-	delta_h	-421	kJ
-Bixbyite
-	Mn2O3 + 6H+ = 2Mn+3 + 3H2O
-	log_k	-0.6445
-	delta_h	-124.49	kJ
-Cr2O3
-	Cr2O3 + H2O + 2H+ = 2Cr(OH)2+
-	log_k	-2.3576
-	delta_h	-50.731	kJ
-#V2O3
-#	V2O3 + 3H+ = V+3 + 1.5H2O
-#	log_k	4.9
-#	delta_h	-82.5085	kJ
-V3O5
-	V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
-	log_k	1.8361
-	delta_h	-98.46	kJ
-#V2O4
-#	V2O4 + 2H+ = VO+2 + H2O
-#	log_k	4.27
-#	delta_h	-58.8689	kJ
-V4O7
-	V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
-	log_k	7.1865
-	delta_h	-163.89	kJ
-V6O13
-	V6O13 + 2H+ = 6VO2+ + H2O + 4e-
-	log_k	-60.86
-	delta_h	271.5	kJ
-V2O5
-	V2O5 + 2H+ = 2VO2+ + H2O
-	log_k	-1.36
-	delta_h	34	kJ
-U4O9
-	U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
-	log_k	-3.0198
-	delta_h	-426.87	kJ
-U3O8
-	U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
-	log_k	21.0834
-	delta_h	-485.44	kJ
-Spinel
-	MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
-	log_k	36.8476
-	delta_h	-388.012	kJ
-Magnesioferrite
-	Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
-	log_k	16.8597
-	delta_h	-278.92	kJ
-Natron
-	Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
-	log_k	-1.311
-	delta_h	65.8771	kJ
-Cuprousferrite
-	CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
-	log_k	-8.9171
-	delta_h	-15.89	kJ
-Cupricferrite
-	CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
-	log_k	5.9882
-	delta_h	-210.21	kJ
-FeCr2O4
-	FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
-	log_k	7.2003
-	delta_h	-140.4	kJ
-MgCr2O4
-	MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
-	log_k	16.2007
-	delta_h	-179.4	kJ
-SbF3
-	SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
-	log_k	-10.2251
-	delta_h	-6.7279	kJ
-PbF2
-	PbF2 = Pb+2 + 2F-
-	log_k	-7.44
-	delta_h	20	kJ
-ZnF2
-	ZnF2 = Zn+2 + 2F-
-	log_k	-0.5343
-	delta_h	-59.69	kJ
-CdF2
-	CdF2 = Cd+2 + 2F-
-	log_k	-1.2124
-	delta_h	-46.22	kJ
-Hg2F2
-	Hg2F2 = Hg2+2 + 2F-
-	log_k	-10.3623
-	delta_h	-18.486	kJ
-CuF
-	CuF = Cu+ + F-
-	log_k	-4.9056
-	delta_h	16.648	kJ
-CuF2
-	CuF2 = Cu+2 + 2F-
-	log_k	1.115
-	delta_h	-66.901	kJ
-CuF2:2H2O
-	CuF2:2H2O = Cu+2 + 2F- + 2H2O
-	log_k	-4.55
-	delta_h	-15.2716	kJ
-AgF:4H2O
-	AgF:4H2O = Ag+ + F- + 4H2O
-	log_k	1.0491
-	delta_h	15.4202	kJ
-CoF2
-	CoF2 = Co+2 + 2F-
-	log_k	-1.5969
-	delta_h	-57.368	kJ
-CoF3
-	CoF3 = Co+3 + 3F-
-	log_k	-1.4581
-	delta_h	-123.692	kJ
-CrF3
-	CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
-	log_k	-11.3367
-	delta_h	-23.3901	kJ
-VF4
-	VF4 + H2O = VO+2 + 4F- + 2H+
-	log_k	14.93
-	delta_h	-199.117	kJ
-UF4
-	UF4 = U+4 + 4F-
-	log_k	-29.5371
-	delta_h	-79.0776	kJ
-UF4:2.5H2O
-	UF4:2.5H2O = U+4 + 4F- + 2.5H2O
-	log_k	-32.7179
-	delta_h	24.325	kJ
-MgF2
-	MgF2 = Mg+2 + 2F-
-	log_k	-8.13
-	delta_h	-8	kJ
-Fluorite
-	CaF2 = Ca+2 + 2F-
-	log_k	-10.5
-	delta_h	8	kJ
-SrF2
-	SrF2 = Sr+2 + 2F-
-	log_k	-8.58
-	delta_h	4	kJ
-BaF2
-	BaF2 = Ba+2 + 2F-
-	log_k	-5.82
-	delta_h	4	kJ
-Cryolite
-	Na3AlF6 = 3Na+ + Al+3 + 6F-
-	log_k	-33.84
-	delta_h	38	kJ
-SbCl3
-	SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
-	log_k	0.5719
-	delta_h	-35.18	kJ
-SnCl2
-	SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl-
-	log_k	-9.2752
-	delta_h	-0	kJ
-Cotunnite
-	PbCl2 = Pb+2 + 2Cl-
-	log_k	-4.78
-	delta_h	26.166	kJ
-Matlockite
-	PbClF = Pb+2 + Cl- + F-
-	log_k	-8.9733
-	delta_h	33.19	kJ
-Phosgenite
-	PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
-	log_k	-19.81
-	delta_h	-0	kJ
-Laurionite
-	PbOHCl + H+ = Pb+2 + Cl- + H2O
-	log_k	0.623
-	delta_h	-0	kJ
-Pb2(OH)3Cl
-	Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
-	log_k	8.793
-	delta_h	-0	kJ
-TlCl
-	TlCl = Tl+ + Cl-
-	log_k	-3.74
-	delta_h	41	kJ
-ZnCl2
-	ZnCl2 = Zn+2 + 2Cl-
-	log_k	7.05
-	delta_h	-72.5	kJ
-Zn2(OH)3Cl
-	Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
-	log_k	15.191
-	delta_h	-0	kJ
-Zn5(OH)8Cl2
-	Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
-	log_k	38.5
-	delta_h	-0	kJ
-CdCl2
-	CdCl2 = Cd+2 + 2Cl-
-	log_k	-0.6588
-	delta_h	-18.58	kJ
-CdCl2:1H2O
-	CdCl2:1H2O = Cd+2 + 2Cl- + H2O
-	log_k	-1.6932
-	delta_h	-7.47	kJ
-CdCl2:2.5H2O
-	CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
-	log_k	-1.913
-	delta_h	7.2849	kJ
-CdOHCl
-	CdOHCl + H+ = Cd+2 + H2O + Cl-
-	log_k	3.5373
-	delta_h	-30.93	kJ
-Calomel
-	Hg2Cl2 = Hg2+2 + 2Cl-
-	log_k	-17.91
-	delta_h	92	kJ
-HgCl2
-	HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
-	log_k	-21.2621
-	delta_h	107.82	kJ
-Nantokite
-	CuCl = Cu+ + Cl-
-	log_k	-6.73
-	delta_h	42.662	kJ
-Melanothallite
-	CuCl2 = Cu+2 + 2Cl-
-	log_k	6.2572
-	delta_h	-63.407	kJ
-Atacamite
-	Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
-	log_k	7.391
-	delta_h	-93.43	kJ
-Cerargyrite
-	AgCl = Ag+ + Cl-
-	log_k	-9.75
-	delta_h	65.2	kJ
-CoCl2
-	CoCl2 = Co+2 + 2Cl-
-	log_k	8.2672
-	delta_h	-79.815	kJ
-CoCl2:6H2O
-	CoCl2:6H2O = Co+2 + 2Cl- + 6H2O
-	log_k	2.5365
-	delta_h	8.0598	kJ
-(Co(NH3)6)Cl3
-	(Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl-
-	log_k	20.0317
-	delta_h	-33.1	kJ
-(Co(NH3)5OH2)Cl3
-	(Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O
-	log_k	11.7351
-	delta_h	-25.37	kJ
-(Co(NH3)5Cl)Cl2
-	(Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl-
-	log_k	4.5102
-	delta_h	-10.74	kJ
-Fe(OH)2.7Cl.3
-	Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
-	log_k	-3.04
-	delta_h	-0	kJ
-MnCl2:4H2O
-	MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
-	log_k	2.7151
-	delta_h	-10.83	kJ
-CrCl2
-	CrCl2 = Cr+2 + 2Cl-
-	log_k	14.0917
-	delta_h	-110.76	kJ
-CrCl3
-	CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
-	log_k	15.1145
-	delta_h	-121.08	kJ
-VCl2
-	VCl2 = V+3 + 2Cl- + e-
-	log_k	18.8744
-	delta_h	-141.16	kJ
-VCl3
-	VCl3 = V+3 + 3Cl-
-	log_k	23.4326
-	delta_h	-179.54	kJ
-VOCl
-	VOCl + 2H+ = V+3 + Cl- + H2O
-	log_k	11.1524
-	delta_h	-104.91	kJ
-VOCl2
-	VOCl2 = VO+2 + 2Cl-
-	log_k	12.7603
-	delta_h	-117.76	kJ
-VO2Cl
-	VO2Cl = VO2+ + Cl-
-	log_k	2.8413
-	delta_h	-40.28	kJ
-Halite
-	NaCl = Na+ + Cl-
-	log_k	1.6025
-	delta_h	3.7	kJ
-SbBr3
-	SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
-	log_k	0.9689
-	delta_h	-20.94	kJ
-SnBr2
-	SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br-
-	log_k	-9.5443
-	delta_h	-0	kJ
-SnBr4
-	SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br-
-	log_k	-28.8468
-	delta_h	-0	kJ
-PbBr2
-	PbBr2 = Pb+2 + 2Br-
-	log_k	-5.3
-	delta_h	35.499	kJ
-PbBrF
-	PbBrF = Pb+2 + Br- + F-
-	log_k	-8.49
-	delta_h	-0	kJ
-TlBr
-	TlBr = Tl+ + Br-
-	log_k	-5.44
-	delta_h	54	kJ
-ZnBr2:2H2O
-	ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
-	log_k	5.2005
-	delta_h	-30.67	kJ
-CdBr2:4H2O
-	CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
-	log_k	-2.425
-	delta_h	30.5001	kJ
-Hg2Br2
-	Hg2Br2 = Hg2+2 + 2Br-
-	log_k	-22.25
-	delta_h	133	kJ
-HgBr2
-	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-	log_k	-25.2734
-	delta_h	138.492	kJ
-CuBr
-	CuBr = Cu+ + Br-
-	log_k	-8.3
-	delta_h	54.86	kJ
-Cu2(OH)3Br
-	Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br-
-	log_k	7.9085
-	delta_h	-93.43	kJ
-Bromyrite
-	AgBr = Ag+ + Br-
-	log_k	-12.3
-	delta_h	84.5	kJ
-(Co(NH3)6)Br3
-	(Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br-
-	log_k	18.3142
-	delta_h	-21.1899	kJ
-(Co(NH3)5Cl)Br2
-	(Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br-
-	log_k	5.0295
-	delta_h	-6.4	kJ
-CrBr3
-	CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
-	log_k	19.9086
-	delta_h	-141.323	kJ
-AsI3
-	AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
-	log_k	4.2307
-	delta_h	3.15	kJ
-SbI3
-	SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
-	log_k	-0.538
-	delta_h	13.5896	kJ
-PbI2
-	PbI2 = Pb+2 + 2I-
-	log_k	-8.1
-	delta_h	62	kJ
-TlI
-	TlI = Tl+ + I-
-	log_k	-7.23
-	delta_h	75	kJ
-ZnI2
-	ZnI2 = Zn+2 + 2I-
-	log_k	7.3055
-	delta_h	-58.92	kJ
-CdI2
-	CdI2 = Cd+2 + 2I-
-	log_k	-3.5389
-	delta_h	13.82	kJ
-Hg2I2
-	Hg2I2 = Hg2+2 + 2I-
-	log_k	-28.34
-	delta_h	163	kJ
-Coccinite
-	HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I-
-	log_k	-34.9525
-	delta_h	210.72	kJ
-HgI2:2NH3
-	HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
-	log_k	-16.2293
-	delta_h	132.18	kJ
-HgI2:6NH3
-	HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
-	log_k	33.7335
-	delta_h	-90.3599	kJ
-CuI
-	CuI = Cu+ + I-
-	log_k	-12
-	delta_h	82.69	kJ
-Iodyrite
-	AgI = Ag+ + I-
-	log_k	-16.08
-	delta_h	110	kJ
-(Co(NH3)6)I3
-	(Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I-
-	log_k	16.5831
-	delta_h	-9.6999	kJ
-(Co(NH3)5Cl)I2
-	(Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I-
-	log_k	5.5981
-	delta_h	0.66	kJ
-CrI3
-	CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
-	log_k	20.4767
-	delta_h	-134.419	kJ
-Cerrusite
-	PbCO3 = Pb+2 + CO3-2
-	log_k	-13.13
-	delta_h	24.79	kJ
-Pb2OCO3
-	Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
-	log_k	-0.5578
-	delta_h	-40.8199	kJ
-Pb3O2CO3
-	Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
-	log_k	11.02
-	delta_h	-110.583	kJ
-Hydrocerrusite
-	Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2
-	log_k	-18.7705
-	delta_h	-0	kJ
-Pb10(OH)6O(CO3)6
-	Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O
-	log_k	-8.76
-	delta_h	-0	kJ
-Tl2CO3
-	Tl2CO3 = 2Tl+ + CO3-2
-	log_k	-3.8367
-	delta_h	35.49	kJ
-Smithsonite
-	ZnCO3 = Zn+2 + CO3-2
-	log_k	-10
-	delta_h	-15.84	kJ
-ZnCO3:1H2O
-	ZnCO3:1H2O = Zn+2 + CO3-2 + H2O
-	log_k	-10.26
-	delta_h	-0	kJ
-Otavite
-	CdCO3 = Cd+2 + CO3-2
-	log_k	-12
-	delta_h	-0.55	kJ
-Hg2CO3
-	Hg2CO3 = Hg2+2 + CO3-2
-	log_k	-16.05
-	delta_h	45.14	kJ
-Hg3O2CO3
-	Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2
-	log_k	-29.682
-	delta_h	-0	kJ
-CuCO3
-	CuCO3 = Cu+2 + CO3-2
-	log_k	-11.5
-	delta_h	-0	kJ
-Malachite
-	Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
-	log_k	-5.306
-	delta_h	76.38	kJ
-Azurite
-	Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
-	log_k	-16.906
-	delta_h	-95.22	kJ
-Ag2CO3
-	Ag2CO3 = 2Ag+ + CO3-2
-	log_k	-11.09
-	delta_h	42.15	kJ
-NiCO3
-	NiCO3 = Ni+2 + CO3-2
-	log_k	-6.87
-	delta_h	-41.589	kJ
-CoCO3
-	CoCO3 = Co+2 + CO3-2
-	log_k	-9.98
-	delta_h	-12.7612	kJ
-Siderite
-	FeCO3 = Fe+2 + CO3-2
-	log_k	-10.24
-	delta_h	-16	kJ
-Rhodochrosite
-	MnCO3 = Mn+2 + CO3-2
-	log_k	-10.58
-	delta_h	-1.88	kJ
-Rutherfordine
-	UO2CO3 = UO2+2 + CO3-2
-	log_k	-14.5
-	delta_h	-3.03	kJ
-Artinite
-	MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
-	log_k	9.6
-	delta_h	-120.257	kJ
-Hydromagnesite
-	Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
-	log_k	-8.766
-	delta_h	-218.447	kJ
-Magnesite
-	MgCO3 = Mg+2 + CO3-2
-	log_k	-7.46
-	delta_h	20	kJ
-Nesquehonite
-	MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
-	log_k	-4.67
-	delta_h	-24.2212	kJ
-Aragonite
-	CaCO3 = Ca+2 + CO3-2
-	log_k	-8.3
-	delta_h	-12	kJ
-Calcite
-	CaCO3 = Ca+2 + CO3-2
-	log_k	-8.48
-	delta_h	-8	kJ
-Dolomite(ordered)
-	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
-	log_k	-17.09
-	delta_h	-39.5	kJ
-Dolomite(disordered)
-	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
-	log_k	-16.54
-	delta_h	-46.4	kJ
-Huntite
-	CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
-	log_k	-29.968
-	delta_h	-107.78	kJ
-Strontianite
-	SrCO3 = Sr+2 + CO3-2
-	log_k	-9.27
-	delta_h	-0	kJ
-Witherite
-	BaCO3 = Ba+2 + CO3-2
-	log_k	-8.57
-	delta_h	4	kJ
-Thermonatrite
-	Na2CO3:H2O = 2Na+ + CO3-2 + H2O
-	log_k	0.637
-	delta_h	-10.4799	kJ
-TlNO3
-	TlNO3 = Tl+ + NO3-
-	log_k	-1.6127
-	delta_h	42.44	kJ
-Zn(NO3)2:6H2O
-	Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
-	log_k	3.3153
-	delta_h	24.5698	kJ
-Cu2(OH)3NO3
-	Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
-	log_k	9.251
-	delta_h	-72.5924	kJ
-(Co(NH3)6)(NO3)3
-	(Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3-
-	log_k	17.9343
-	delta_h	1.59	kJ
-(Co(NH3)5Cl)(NO3)2
-	(Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3-
-	log_k	6.2887
-	delta_h	6.4199	kJ
-UO2(NO3)2
-	UO2(NO3)2 = UO2+2 + 2NO3-
-	log_k	12.1476
-	delta_h	-83.3999	kJ
-UO2(NO3)2:2H2O
-	UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
-	log_k	4.851
-	delta_h	-25.355	kJ
-UO2(NO3)2:3H2O
-	UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
-	log_k	3.39
-	delta_h	-9.1599	kJ
-UO2(NO3)2:6H2O
-	UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
-	log_k	2.0464
-	delta_h	20.8201	kJ
-Pb(BO2)2
-	Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
-	log_k	6.5192
-	delta_h	-15.6119	kJ
-Zn(BO2)2
-	Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
-	log_k	8.29
-	delta_h	-0	kJ
-Cd(BO2)2
-	Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
-	log_k	9.84
-	delta_h	-0	kJ
-Co(BO2)2
-	Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3
-	log_k	27.0703
-	delta_h	-0	kJ
-SnSO4
-	SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2
-	log_k	-56.9747
-	delta_h	-0	kJ
-Sn(SO4)2
-	Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2
-	log_k	-15.2123
-	delta_h	-0	kJ
-Larnakite
-	PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
-	log_k	-0.4344
-	delta_h	-21.83	kJ
-Pb3O2SO4
-	Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
-	log_k	10.6864
-	delta_h	-79.14	kJ
-Pb4O3SO4
-	Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
-	log_k	21.8772
-	delta_h	-136.45	kJ
-Anglesite
-	PbSO4 = Pb+2 + SO4-2
-	log_k	-7.79
-	delta_h	12	kJ
-Pb4(OH)6SO4
-	Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
-	log_k	21.1
-	delta_h	-0	kJ
-AlOHSO4
-	AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
-	log_k	-3.23
-	delta_h	-0	kJ
-Al4(OH)10SO4
-	Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
-	log_k	22.7
-	delta_h	-0	kJ
-Tl2SO4
-	Tl2SO4 = 2Tl+ + SO4-2
-	log_k	-3.7868
-	delta_h	33.1799	kJ
-Zn2(OH)2SO4
-	Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
-	log_k	7.5
-	delta_h	-0	kJ
-Zn4(OH)6SO4
-	Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
-	log_k	28.4
-	delta_h	-0	kJ
-Zn3O(SO4)2
-	Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
-	log_k	18.9135
-	delta_h	-258.08	kJ
-Zincosite
-	ZnSO4 = Zn+2 + SO4-2
-	log_k	3.9297
-	delta_h	-82.586	kJ
-ZnSO4:1H2O
-	ZnSO4:1H2O = Zn+2 + SO4-2 + H2O
-	log_k	-0.638
-	delta_h	-44.0699	kJ
-Bianchite
-	ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
-	log_k	-1.765
-	delta_h	-0.6694	kJ
-Goslarite
-	ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
-	log_k	-2.0112
-	delta_h	14.21	kJ
-Cd3(OH)4SO4
-	Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
-	log_k	22.56
-	delta_h	-0	kJ
-Cd3(OH)2(SO4)2
-	Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
-	log_k	6.71
-	delta_h	-0	kJ
-Cd4(OH)6SO4
-	Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
-	log_k	28.4
-	delta_h	-0	kJ
-CdSO4
-	CdSO4 = Cd+2 + SO4-2
-	log_k	-0.1722
-	delta_h	-51.98	kJ
-CdSO4:1H2O
-	CdSO4:1H2O = Cd+2 + SO4-2 + H2O
-	log_k	-1.7261
-	delta_h	-31.5399	kJ
-CdSO4:2.67H2O
-	CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
-	log_k	-1.873
-	delta_h	-17.9912	kJ
-Hg2SO4
-	Hg2SO4 = Hg2+2 + SO4-2
-	log_k	-6.13
-	delta_h	5.4	kJ
-HgSO4
-	HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
-	log_k	-9.4189
-	delta_h	14.6858	kJ
-Cu2SO4
-	Cu2SO4 = 2Cu+ + SO4-2
-	log_k	-1.95
-	delta_h	-19.079	kJ
-Antlerite
-	Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
-	log_k	8.788
-	delta_h	-0	kJ
-Brochantite
-	Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
-	log_k	15.222
-	delta_h	-202.86	kJ
-Langite
-	Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
-	log_k	17.4886
-	delta_h	-165.55	kJ
-CuOCuSO4
-	CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
-	log_k	10.3032
-	delta_h	-137.777	kJ
-CuSO4
-	CuSO4 = Cu+2 + SO4-2
-	log_k	2.9395
-	delta_h	-73.04	kJ
-Chalcanthite
-	CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
-	log_k	-2.64
-	delta_h	6.025	kJ
-Ag2SO4
-	Ag2SO4 = 2Ag+ + SO4-2
-	log_k	-4.82
-	delta_h	17	kJ
-Ni4(OH)6SO4
-	Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
-	log_k	32
-	delta_h	-0	kJ
-Retgersite
-	NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
-	log_k	-2.04
-	delta_h	4.6024	kJ
-Morenosite
-	NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
-	log_k	-2.1449
-	delta_h	12.1802	kJ
-CoSO4
-	CoSO4 = Co+2 + SO4-2
-	log_k	2.8024
-	delta_h	-79.277	kJ
-CoSO4:6H2O
-	CoSO4:6H2O = Co+2 + SO4-2 + 6H2O
-	log_k	-2.4726
-	delta_h	1.0801	kJ
-Melanterite
-	FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
-	log_k	-2.209
-	delta_h	20.5	kJ
-Fe2(SO4)3
-	Fe2(SO4)3 = 2Fe+3 + 3SO4-2
-	log_k	-3.7343
-	delta_h	-242.028	kJ
-H-Jarosite
-	(H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
-	log_k	-12.1
-	delta_h	-230.748	kJ
-Na-Jarosite
-	NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
-	log_k	-11.2
-	delta_h	-151.377	kJ
-K-Jarosite
-	KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
-	log_k	-14.8
-	delta_h	-130.875	kJ
-MnSO4
-	MnSO4 = Mn+2 + SO4-2
-	log_k	2.5831
-	delta_h	-64.8401	kJ
-Mn2(SO4)3
-	Mn2(SO4)3 = 2Mn+3 + 3SO4-2
-	log_k	-5.711
-	delta_h	-163.427	kJ
-VOSO4
-	VOSO4 = VO+2 + SO4-2
-	log_k	3.6097
-	delta_h	-86.7401	kJ
-Epsomite
-	MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
-	log_k	-2.1265
-	delta_h	11.5601	kJ
-Anhydrite
-	CaSO4 = Ca+2 + SO4-2
-	log_k	-4.36
-	delta_h	-7.2	kJ
-Gypsum
-	CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
-	log_k	-4.61
-	delta_h	1	kJ
-Celestite
-	SrSO4 = Sr+2 + SO4-2
-	log_k	-6.62
-	delta_h	2	kJ
-Barite
-	BaSO4 = Ba+2 + SO4-2
-	log_k	-9.98
-	delta_h	23	kJ
-Mirabilite
-	Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
-	log_k	-1.114
-	delta_h	79.4416	kJ
-Thenardite
-	Na2SO4 = 2Na+ + SO4-2
-	log_k	0.3217
-	delta_h	-9.121	kJ
-K-Alum
-	KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
-	log_k	-5.17
-	delta_h	30.2085	kJ
-Alunite
-	KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
-	log_k	-1.4
-	delta_h	-210	kJ
-(NH4)2CrO4
-	(NH4)2CrO4 = CrO4-2 + 2NH4+
-	log_k	0.4046
-	delta_h	9.163	kJ
-PbCrO4
-	PbCrO4 = Pb+2 + CrO4-2
-	log_k	-12.6
-	delta_h	44.18	kJ
-Tl2CrO4
-	Tl2CrO4 = 2Tl+ + CrO4-2
-	log_k	-12.01
-	delta_h	74.27	kJ
-Hg2CrO4
-	Hg2CrO4 = Hg2+2 + CrO4-2
-	log_k	-8.7
-	delta_h	-0	kJ
-CuCrO4
-	CuCrO4 = Cu+2 + CrO4-2
-	log_k	-5.44
-	delta_h	-0	kJ
-Ag2CrO4
-	Ag2CrO4 = 2Ag+ + CrO4-2
-	log_k	-11.59
-	delta_h	62	kJ
-MgCrO4
-	MgCrO4 = CrO4-2 + Mg+2
-	log_k	5.3801
-	delta_h	-88.9518	kJ
-CaCrO4
-	CaCrO4 = Ca+2 + CrO4-2
-	log_k	-2.2657
-	delta_h	-26.945	kJ
-SrCrO4
-	SrCrO4 = Sr+2 + CrO4-2
-	log_k	-4.65
-	delta_h	-10.1253	kJ
-BaCrO4
-	BaCrO4 = Ba+2 + CrO4-2
-	log_k	-9.67
-	delta_h	33	kJ
-Li2CrO4
-	Li2CrO4 = CrO4-2 + 2Li+
-	log_k	4.8568
-	delta_h	-45.2792	kJ
-Na2CrO4
-	Na2CrO4 = CrO4-2 + 2Na+
-	log_k	2.9302
-	delta_h	-19.6301	kJ
-Na2Cr2O7
-	Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
-	log_k	-9.8953
-	delta_h	22.1961	kJ
-K2CrO4
-	K2CrO4 = CrO4-2 + 2K+
-	log_k	-0.5134
-	delta_h	18.2699	kJ
-K2Cr2O7
-	K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
-	log_k	-17.2424
-	delta_h	80.7499	kJ
-Hg2SeO3
-	Hg2SeO3 + H+ = Hg2+2 + HSeO3-
-	log_k	-4.657
-	delta_h	-0	kJ
-HgSeO3
-	HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3-
-	log_k	-12.43
-	delta_h	-0	kJ
-Ag2SeO3
-	Ag2SeO3 + H+ = 2Ag+ + HSeO3-
-	log_k	-7.15
-	delta_h	39.68	kJ
-CuSeO3:2H2O
-	CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O
-	log_k	0.5116
-	delta_h	-36.861	kJ
-NiSeO3:2H2O
-	NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
-	log_k	2.8147
-	delta_h	-31.0034	kJ
-CoSeO3
-	CoSeO3 + H+ = Co+2 + HSeO3-
-	log_k	1.32
-	delta_h	-0	kJ
-Fe2(SeO3)3:2H2O
-	Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
-	log_k	-20.6262
-	delta_h	-0	kJ
-Fe2(OH)4SeO3
-	Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
-	log_k	1.5539
-	delta_h	-0	kJ
-MnSeO3
-	MnSeO3 + H+ = Mn+2 + HSeO3-
-	log_k	1.13
-	delta_h	-0	kJ
-MnSeO3:2H2O
-	MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
-	log_k	0.9822
-	delta_h	8.4935	kJ
-MgSeO3:6H2O
-	MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O
-	log_k	3.0554
-	delta_h	5.23	kJ
-CaSeO3:2H2O
-	CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
-	log_k	2.8139
-	delta_h	-19.4556	kJ
-SrSeO3
-	SrSeO3 + H+ = Sr+2 + HSeO3-
-	log_k	2.3
-	delta_h	-0	kJ
-BaSeO3
-	BaSeO3 + H+ = Ba+2 + HSeO3-
-	log_k	1.83
-	delta_h	11.98	kJ
-Na2SeO3:5H2O
-	Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O
-	log_k	10.3
-	delta_h	-0	kJ
-PbSeO4
-	PbSeO4 = Pb+2 + SeO4-2
-	log_k	-6.84
-	delta_h	15	kJ
-Tl2SeO4
-	Tl2SeO4 = 2Tl+ + SeO4-2
-	log_k	-4.1
-	delta_h	43	kJ
-ZnSeO4:6H2O
-	ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O
-	log_k	-1.52
-	delta_h	-0	kJ
-CdSeO4:2H2O
-	CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O
-	log_k	-1.85
-	delta_h	-0	kJ
-Ag2SeO4
-	Ag2SeO4 = 2Ag+ + SeO4-2
-	log_k	-8.91
-	delta_h	-43.5	kJ
-CuSeO4:5H2O
-	CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O
-	log_k	-2.44
-	delta_h	-0	kJ
-NiSeO4:6H2O
-	NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O
-	log_k	-1.52
-	delta_h	-0	kJ
-CoSeO4:6H2O
-	CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O
-	log_k	-1.53
-	delta_h	-0	kJ
-MnSeO4:5H2O
-	MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O
-	log_k	-2.05
-	delta_h	-0	kJ
-UO2SeO4:4H2O
-	UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O
-	log_k	-2.25
-	delta_h	-0	kJ
-MgSeO4:6H2O
-	MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O
-	log_k	-1.2
-	delta_h	-0	kJ
-CaSeO4:2H2O
-	CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O
-	log_k	-3.02
-	delta_h	-8.3	kJ
-SrSeO4
-	SrSeO4 = Sr+2 + SeO4-2
-	log_k	-4.4
-	delta_h	0.4	kJ
-BaSeO4
-	BaSeO4 = Ba+2 + SeO4-2
-	log_k	-7.46
-	delta_h	22	kJ
-BeSeO4:4H2O
-	BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O
-	log_k	-2.94
-	delta_h	-0	kJ
-Na2SeO4
-	Na2SeO4 = 2Na+ + SeO4-2
-	log_k	1.28
-	delta_h	-0	kJ
-K2SeO4
-	K2SeO4 = 2K+ + SeO4-2
-	log_k	-0.73
-	delta_h	-0	kJ
-(NH4)2SeO4
-	(NH4)2SeO4 = 2NH4+ + SeO4-2
-	log_k	0.45
-	delta_h	-0	kJ
-H2MoO4
-	H2MoO4 = MoO4-2 + 2H+
-	log_k	-12.8765
-	delta_h	49	kJ
-PbMoO4
-	PbMoO4 = Pb+2 + MoO4-2
-	log_k	-15.62
-	delta_h	53.93	kJ
-Al2(MoO4)3
-	Al2(MoO4)3 = 3MoO4-2 + 2Al+3
-	log_k	2.3675
-	delta_h	-260.8	kJ
-Tl2MoO4
-	Tl2MoO4 = MoO4-2 + 2Tl+
-	log_k	-7.9887
-	delta_h	-0	kJ
-ZnMoO4
-	ZnMoO4 = MoO4-2 + Zn+2
-	log_k	-10.1254
-	delta_h	-10.6901	kJ
-CdMoO4
-	CdMoO4 = MoO4-2 + Cd+2
-	log_k	-14.1497
-	delta_h	19.48	kJ
-CuMoO4
-	CuMoO4 = MoO4-2 + Cu+2
-	log_k	-13.0762
-	delta_h	12.2	kJ
-Ag2MoO4
-	Ag2MoO4 = 2Ag+ + MoO4-2
-	log_k	-11.55
-	delta_h	52.7	kJ
-NiMoO4
-	NiMoO4 = MoO4-2 + Ni+2
-	log_k	-11.1421
-	delta_h	1.3	kJ
-CoMoO4
-	CoMoO4 = MoO4-2 + Co+2
-	log_k	-7.7609
-	delta_h	-23.3999	kJ
-FeMoO4
-	FeMoO4 = MoO4-2 + Fe+2
-	log_k	-10.091
-	delta_h	-11.1	kJ
-BeMoO4
-	BeMoO4 = MoO4-2 + Be+2
-	log_k	-1.7817
-	delta_h	-56.4	kJ
-MgMoO4
-	MgMoO4 = Mg+2 + MoO4-2
-	log_k	-1.85
-	delta_h	-0	kJ
-CaMoO4
-	CaMoO4 = Ca+2 + MoO4-2
-	log_k	-7.95
-	delta_h	-2	kJ
-BaMoO4
-	BaMoO4 = MoO4-2 + Ba+2
-	log_k	-6.9603
-	delta_h	10.96	kJ
-Li2MoO4
-	Li2MoO4 = MoO4-2 + 2Li+
-	log_k	2.4416
-	delta_h	-33.9399	kJ
-Na2MoO4
-	Na2MoO4 = MoO4-2 + 2Na+
-	log_k	1.4901
-	delta_h	-9.98	kJ
-Na2MoO4:2H2O
-	Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O
-	log_k	1.224
-	delta_h	-0	kJ
-Na2Mo2O7
-	Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+
-	log_k	-16.5966
-	delta_h	56.2502	kJ
-K2MoO4
-	K2MoO4 = MoO4-2 + 2K+
-	log_k	3.2619
-	delta_h	-3.38	kJ
-PbHPO4
-	PbHPO4 = Pb+2 + H+ + PO4-3
-	log_k	-23.805
-	delta_h	-0	kJ
-Pb3(PO4)2
-	Pb3(PO4)2 = 3Pb+2 + 2PO4-3
-	log_k	-43.53
-	delta_h	-0	kJ
-Pyromorphite
-	Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
-	log_k	-84.43
-	delta_h	-0	kJ
-Hydroxylpyromorphite
-	Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
-	log_k	-62.79
-	delta_h	-0	kJ
-Plumbgummite
-	PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
-	log_k	-32.79
-	delta_h	-0	kJ
-Hinsdalite
-	PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
-	log_k	-2.5
-	delta_h	-0	kJ
-Tsumebite
-	Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
-	log_k	-9.79
-	delta_h	-0	kJ
-Zn3(PO4)2:4H2O
-	Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
-	log_k	-35.42
-	delta_h	-0	kJ
-Cd3(PO4)2
-	Cd3(PO4)2 = 3Cd+2 + 2PO4-3
-	log_k	-32.6
-	delta_h	-0	kJ
-Hg2HPO4
-	Hg2HPO4 = Hg2+2 + H+ + PO4-3
-	log_k	-24.775
-	delta_h	-0	kJ
-Cu3(PO4)2
-	Cu3(PO4)2 = 3Cu+2 + 2PO4-3
-	log_k	-36.85
-	delta_h	-0	kJ
-Cu3(PO4)2:3H2O
-	Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
-	log_k	-35.12
-	delta_h	-0	kJ
-Ag3PO4
-	Ag3PO4 = 3Ag+ + PO4-3
-	log_k	-17.59
-	delta_h	-0	kJ
-Ni3(PO4)2
-	Ni3(PO4)2 = 3Ni+2 + 2PO4-3
-	log_k	-31.3
-	delta_h	-0	kJ
-CoHPO4
-	CoHPO4 = Co+2 + PO4-3 + H+
-	log_k	-19.0607
-	delta_h	-0	kJ
-Co3(PO4)2
-	Co3(PO4)2 = 3Co+2 + 2PO4-3
-	log_k	-34.6877
-	delta_h	-0	kJ
-Vivianite
-	Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
-	log_k	-36
-	delta_h	-0	kJ
-Strengite
-	FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
-	log_k	-26.4
-	delta_h	-9.3601	kJ
-Mn3(PO4)2
-	Mn3(PO4)2 = 3Mn+2 + 2PO4-3
-	log_k	-23.827
-	delta_h	8.8701	kJ
-MnHPO4
-	MnHPO4 = Mn+2 + PO4-3 + H+
-	log_k	-25.4
-	delta_h	-0	kJ
-(VO)3(PO4)2
-	(VO)3(PO4)2 = 3VO+2 + 2PO4-3
-	log_k	-25.1
-	delta_h	-0	kJ
-Mg3(PO4)2
-	Mg3(PO4)2 = 3Mg+2 + 2PO4-3
-	log_k	-23.28
-	delta_h	-0	kJ
-MgHPO4:3H2O
-	MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O
-	log_k	-18.175
-	delta_h	-0	kJ
-FCO3Apatite
-	Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-	log_k	-114.4
-	delta_h	164.808	kJ
-Hydroxylapatite
-	Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
-	log_k	-44.333
-	delta_h	-0	kJ
-CaHPO4:2H2O
-	CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O
-	log_k	-18.995
-	delta_h	23	kJ
-CaHPO4
-	CaHPO4 = Ca+2 + H+ + PO4-3
-	log_k	-19.275
-	delta_h	31	kJ
-Ca3(PO4)2(beta)
-	Ca3(PO4)2 = 3Ca+2 + 2PO4-3
-	log_k	-28.92
-	delta_h	54	kJ
-Ca4H(PO4)3:3H2O
-	Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O
-	log_k	-47.08
-	delta_h	-0	kJ
-SrHPO4
-	SrHPO4 = Sr+2 + H+ + PO4-3
-	log_k	-19.295
-	delta_h	-0	kJ
-BaHPO4
-	BaHPO4 = Ba+2 + H+ + PO4-3
-	log_k	-19.775
-	delta_h	-0	kJ
-U(HPO4)2:4H2O
-	U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
-	log_k	-51.584
-	delta_h	16.0666	kJ
-(UO2)3(PO4)2
-	(UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
-	log_k	-49.4
-	delta_h	397.062	kJ
-UO2HPO4
-	UO2HPO4 = UO2+2 + H+ + PO4-3
-	log_k	-24.225
-	delta_h	-0	kJ
-Uramphite
-	(NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
-	log_k	-51.749
-	delta_h	40.5848	kJ
-Przhevalskite
-	Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
-	log_k	-44.365
-	delta_h	-46.024	kJ
-Torbernite
-	Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
-	log_k	-45.279
-	delta_h	-66.5256	kJ
-Bassetite
-	Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
-	log_k	-44.485
-	delta_h	-83.2616	kJ
-Saleeite
-	Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
-	log_k	-43.646
-	delta_h	-84.4331	kJ
-Ningyoite
-	CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
-	log_k	-53.906
-	delta_h	-9.4977	kJ
-H-Autunite
-	H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3
-	log_k	-47.931
-	delta_h	-15.0624	kJ
-Autunite
-	Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
-	log_k	-43.927
-	delta_h	-59.9986	kJ
-Sr-Autunite
-	Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
-	log_k	-44.457
-	delta_h	-54.6012	kJ
-Na-Autunite
-	Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3
-	log_k	-47.409
-	delta_h	-1.9246	kJ
-K-Autunite
-	K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3
-	log_k	-48.244
-	delta_h	24.5182	kJ
-Uranocircite
-	Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
-	log_k	-44.631
-	delta_h	-42.2584	kJ
-Pb3(AsO4)2
-	Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
-	log_k	5.8
-	delta_h	-0	kJ
-AlAsO4:2H2O
-	AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
-	log_k	4.8
-	delta_h	-0	kJ
-Zn3(AsO4)2:2.5H2O
-	Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
-	log_k	13.65
-	delta_h	-0	kJ
-Cu3(AsO4)2:2H2O
-	Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O
-	log_k	6.1
-	delta_h	-0	kJ
-Ag3AsO3
-	Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3
-	log_k	2.1573
-	delta_h	-0	kJ
-Ag3AsO4
-	Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4
-	log_k	-2.7867
-	delta_h	-0	kJ
-Ni3(AsO4)2:8H2O
-	Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
-	log_k	15.7
-	delta_h	-0	kJ
-Co3(AsO4)2
-	Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4
-	log_k	13.0341
-	delta_h	-0	kJ
-FeAsO4:2H2O
-	FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
-	log_k	0.4
-	delta_h	-0	kJ
-Mn3(AsO4)2:8H2O
-	Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
-	log_k	12.5
-	delta_h	-0	kJ
-Ca3(AsO4)2:4H2O
-	Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O
-	log_k	22.3
-	delta_h	-0	kJ
-Ba3(AsO4)2
-	Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
-	log_k	-8.91
-	delta_h	11.0458	kJ
-#NH4VO3
-#	NH4VO3 + 2H+ = 2VO2+ + H2O
-#	log_k	3.8
-#	delta_h	30	kJ
-Pb3(VO4)2
-	Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O
-	log_k	6.14
-	delta_h	-72.6342	kJ
-Pb2V2O7
-	Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O
-	log_k	-1.9
-	delta_h	-26.945	kJ
-AgVO3
-	AgVO3 + 2H+ = Ag+ + VO2+ + H2O
-	log_k	0.77
-	delta_h	-0	kJ
-Ag2HVO4
-	Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
-	log_k	1.48
-	delta_h	-0	kJ
-Ag3H2VO5
-	Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
-	log_k	5.18
-	delta_h	-0	kJ
-Fe(VO3)2
-	Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O
-	log_k	-3.72
-	delta_h	-61.6722	kJ
-Mn(VO3)2
-	Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O
-	log_k	4.9
-	delta_h	-92.4664	kJ
-Mg(VO3)2
-	Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O
-	log_k	11.28
-	delta_h	-136.649	kJ
-Mg2V2O7
-	Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O
-	log_k	26.36
-	delta_h	-255.224	kJ
-Carnotite
-	KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
-	log_k	0.23
-	delta_h	-36.4008	kJ
-Tyuyamunite
-	Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O
-	log_k	4.08
-	delta_h	-153.134	kJ
-Ca(VO3)2
-	Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O
-	log_k	5.66
-	delta_h	-84.7678	kJ
-Ca3(VO4)2
-	Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O
-	log_k	38.96
-	delta_h	-293.466	kJ
-Ca2V2O7
-	Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O
-	log_k	17.5
-	delta_h	-159.494	kJ
-Ca3(VO4)2:4H2O
-	Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O
-	log_k	39.86
-	delta_h	-0	kJ
-Ca2V2O7:2H2O
-	Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O
-	log_k	21.552
-	delta_h	-0	kJ
-Ba3(VO4)2:4H2O
-	Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O
-	log_k	32.94
-	delta_h	-0	kJ
-Ba2V2O7:2H2O
-	Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O
-	log_k	15.872
-	delta_h	-0	kJ
-NaVO3
-	NaVO3 + 2H+ = Na+ + VO2+ + H2O
-	log_k	3.8582
-	delta_h	-30.1799	kJ
-Na3VO4
-	Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
-	log_k	36.6812
-	delta_h	-184.61	kJ
-Na4V2O7
-	Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O
-	log_k	37.4
-	delta_h	-201.083	kJ
-Halloysite
-	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-	log_k	9.5749
-	delta_h	-181.43	kJ
-Kaolinite
-	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-	log_k	7.435
-	delta_h	-148	kJ
-Greenalite
-	Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
-	log_k	20.81
-	delta_h	-0	kJ
-Chrysotile
-	Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
-	log_k	32.2
-	delta_h	-196	kJ
-Sepiolite
-	Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4
-	log_k	15.76
-	delta_h	-114.089	kJ
-Sepiolite(A)
-	Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
-	log_k	18.78
-	delta_h	-0	kJ
-PHASES
-O2(g)
-	O2 + 4H+ + 4e- = 2H2O
-	log_k	83.0894
-	delta_h	-571.66	kJ
-CH4(g)
-	CH4 + 3H2O = CO3-2 + 8e- + 10H+
-	log_k	-41.0452
-	delta_h	257.133	kJ
-CO2(g)
-	CO2 + H2O = 2H+ + CO3-2
-	log_k	-18.147
-	delta_h	4.06	kJ
-H2S(g)
-	H2S = H+ + HS-
-	log_k	-8.01
-	delta_h	-0	kJ
-H2Se(g)
-	H2Se = HSe- + H+
-	log_k	-4.96
-	delta_h	-15.3	kJ
-Hg(g)
-	Hg = 0.5Hg2+2 + e-
-	log_k	-7.8733
-	delta_h	22.055	kJ
-Hg2(g)
-	Hg2 = Hg2+2 + 2e-
-	log_k	-14.9554
-	delta_h	58.07	kJ
-Hg(CH3)2(g)
-	Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
-	log_k	-73.7066
-	delta_h	481.99	kJ
-HgF(g)
-	HgF = 0.5Hg2+2 + F-
-	log_k	32.6756
-	delta_h	-254.844	kJ
-HgF2(g)
-	HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
-	log_k	12.5652
-	delta_h	-165.186	kJ
-HgCl(g)
-	HgCl = 0.5Hg2+2 + Cl-
-	log_k	19.4966
-	delta_h	-162.095	kJ
-HgBr(g)
-	HgBr = 0.5Hg2+2 + Br-
-	log_k	16.7566
-	delta_h	-142.157	kJ
-HgBr2(g)
-	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-	log_k	-18.3881
-	delta_h	54.494	kJ
-HgI(g)
-	HgI = 0.5Hg2+2 + I-
-	log_k	11.3322
-	delta_h	-106.815	kJ
-HgI2(g)
-	HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
-	log_k	-27.2259
-	delta_h	114.429	kJ
-#
-#
-SURFACE_MASTER_SPECIES
-        Goe_uni      Goe_uniOH-0.5     # =FeO site on goethite 
-        Goe_tri      Goe_triO-0.5      # =Fe3O site on goethite
-        Hfocd_uni    Hfocd_uniOH-0.5   # =FeO site on HFO
-        Hfocd_tri    Hfocd_triO-0.5    # =Fe3O site on HFO
-SURFACE_SPECIES
-#
-# Goethite
-#
-        Goe_triO-0.5  = Goe_triO-0.5
-             -cd_music  0 0 0 0 0
-             log_k 0
-        Goe_triO-0.5 + H+ = Goe_triOH+0.5
-             -cd_music  1 0 0 0 0
-             log_k    9.20
-        Goe_uniOH-0.5 = Goe_uniOH-0.5
-             -cd_music  0 0 0 0 0
-             log_k 0
-        Goe_uniOH-0.5 + H+ = Goe_uniOH2+0.5
-             -cd_music  1 0 0 0 0
-             log_k    9.20
-# Na+
-        Goe_triO-0.5 + Na+ = Goe_triONa+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -0.60
-        Goe_uniOH-0.5 + Na+ = Goe_uniOHNa+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -0.60
-# K+
-        Goe_triO-0.5 + K+ = Goe_triOK+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -1.71
-        Goe_uniOH-0.5 + K+ = Goe_uniOHK+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -1.71
-# Cl-
-        Goe_uniOH-0.5 + H+ + Cl- = Goe_uniOH2Cl-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.76
-        Goe_triO-0.5 + H+ + Cl- = Goe_triOHCl-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.76
-# NO3-
-        Goe_triO-0.5 + H+ + NO3- = Goe_triOHNO3-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.52
-        Goe_uniOH-0.5 + H+ + NO3- = Goe_uniOH2NO3-0.5
-             log_k    8.52
-             -cd_music  1 -1 0 0 0
-# Ca+2
-        Goe_triO-0.5 + Ca+2 = Goe_triOCa+1.5
-             log_k      3.00
-             -cd_music  0.0  2.0  0 0 0
-        Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
-             log_k      3.00
-             -cd_music  0.0  2.0  0 0 0
-        Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
-             log_k      3.65
-             -cd_music  0.32  1.68  0 0 0
-        Goe_uniOH-0.5 + Ca+2 + H2O = Goe_uniOHCaOH+0.5 + H+
-             log_k      -9.25
-             -cd_music  0.32  0.68  0 0 0
-# Mg+2
-        2Goe_uniOH-0.5 + Mg+2 = (Goe_uniOH)2Mg+
-             log_k      4.90
-             -cd_music  0.71  1.29  0 0 0
-        2Goe_uniOH-0.5 + Mg+2 + H2O = (Goe_uniOH)2MgOH + H+
-             log_k      -6.47
-             -cd_music  0.71  0.29  0 0 0
-# CO3-2
-        2Goe_uniOH-0.5 + 2H+ + CO3-2 = (Goe_uniO)2CO- + 2H2O
-             log_k      22.33
-             -cd_music  0.68  -0.68  0 0 0
-# PO4-3
-        Goe_uniOH-0.5 + 2H+ + PO4-3 = Goe_uniOPO2OH-1.5 + H2O
-             log_k      27.65
-             -cd_music  0.28 -1.28 0 0 0
-        2Goe_uniOH-0.5 + 2H+ + PO4-3 = (Goe_uniO)2PO2-2 + 2H2O
-             log_k      29.77
-             -cd_music  0.46  -1.46  0 0 0
-# H3AsO3
-        Goe_uniOH-0.5 + H3AsO3 = Goe_uniOAs(OH)2-0.5 + H2O
-             log_k     4.33	# Stachowicz et al 2006
-             -cd_music  0.16  -0.16 0 0 0
-        2Goe_uniOH-0.5 + H3AsO3 = (Goe_uniO)2AsOH- + 2H2O
-             log_k     6.99	# Stachowicz et al 2006
-             -cd_music  0.34 -0.34 0 0 0
-# AsO4-3
-        Goe_uniOH-0.5 + 2H+ + AsO4-3 = Goe_uniOAsO2OH-1.5 + H2O
-             log_k     25.88
-             -cd_music  0.30 -1.30 0 0 0
-        2Goe_uniOH-0.5 + 2H+ + AsO4-3 = (Goe_uniO)2AsO2-2 + 2H2O
-             log_k     29.41
-             -cd_music  0.47  -1.47  0 0 0
-        2Goe_uniOH-0.5 + 3H+ + AsO4-3 = (Goe_uniO)2AsOOH- + 2H2O
-             log_k     33.72
-             -cd_music  0.58 -0.58 0 0 0
-# H3BO3
-        Goe_uniOH-0.5 + H3BO3 = Goe_uniOBH2O2-0.5 + H2O
-             log_k     1.99
-             -cd_music  0.16 -0.16 0 0 0
-	 Goe_uniOH-0.5 + H3BO3 = Goe_uniOH3BO3-1.5 + H+
-             log_k     -8.31
-             -cd_music  0.16 -0.16 0 0 0
-# CrO4-2
-        Goe_uniOH-0.5 + H+ + CrO4-2 = Goe_uniOCrO3-1.5 + H2O   
-             log_k    12.45          
-             -cd_music  0.5  -1.5 0 0 0   
-# MoO4-2
-        Goe_uniOH-0.5 + 2H+ + MoO4-2 + H2O = Goe_uniOMo(OH)5-0.5
-             log_k     18.25
-             -cd_music  0.5  -0.5 0 0 0  # RH99
-        Goe_uniOH-0.5 + H+ + MoO4-2 = Goe_uniOMoO3-1.5 + H2O
-             log_k     12.28
-             -cd_music  0.5  -1.5 0 0 0  # RH99
-# SO4-2
-        Goe_uniOH-0.5 + H+ + SO4-2 = Goe_uniSO4-1.5 + H2O
-             log_k     9.21
-             -cd_music  0.65 -1.65 0 0 0  # RH99
-        2Goe_uniOH-0.5 + 2H+ +SO4-2 = Goe_uni2SO4- + 2H2O
-             log_k     19.01
-             -cd_music  1.5 -0.5  0 0 0
-        Goe_uniOH-0.5 + 2H+ + SO4-2 = Goe_uniSO4H-0.5 + H2O
-             log_k     3.97
-             -cd_music  1.5 -0.5 0 0 0  # RH99
-        2Goe_uniOH-0.5 + 3H+ +SO4-2 = Goe_uni2SO4H + 2H2O
-             log_k     19.00
-             -cd_music  1  0  0 0 0
-# Sb(OH)3
-        Goe_uniOH-0.5 + Sb(OH)3 = Goe_uniOSb(OH)2-0.5 + H2O   
-             log_k     15.55         
-             -cd_music  0.16  -0.16 0 0 0  
-        2Goe_uniOH-0.5 + Sb(OH)3 = Goe_uni2O2Sb(OH)- + 2H2O   
-             log_k     25.22           
-             -cd_music  0.34 -0.34 0 0 0
-# Sb(OH)6-
-        Goe_uniOH-0.5 + Sb(OH)6- = Goe_uniOSb(OH)5-1.5 + H2O   
-             log_k     6.66         
-             -cd_music  0.84  -1.83 0 0 0  
-        2Goe_uniOH-0.5 + Sb(OH)6- = Goe_uni2O2Sb(OH)4-2 + 2H2O  
-             log_k     -7.80           
-             -cd_music  1.67 -2.66 0 0 0
-# HSeO3-
-        2Goe_uniOH-0.5 + H+ + HSeO3- = Goe_uni2SeO3- + 2H2O 
-             log_k     4.33         
-             -cd_music  0.72 -0.72 0 0 0 
-        2Goe_uniOH-0.5 + 2H+ + HSeO3- = Goe_uni2HSeO3 + 2H2O   
-             log_k     9.46           
-             -cd_music  1.03 -0.03 0 0 0
-        Goe_uniOH-0.5 + H+ + HSeO3- = Goe_uniSeO3H-0.5 + H2O    
-             log_k     6.85           
-            -cd_music  0.43 -0.43 0 0 0
-        Goe_uniOH-0.5 + HSeO3- = Goe_uniSeO3-1.5 + H2O    
-             log_k     2.29           
-             -cd_music  0.20 -1.20 0 0 0
-# SeO4-2
-        Goe_uniOH-0.5 + H+ + SeO4-2 = Goe_uniSeO4-1.5 + H2O         
-             log_k     10.48         
-             -cd_music  0.50 -1.50 0 0 0 
-        2Goe_uniOH-0.5 + SeO4-2 + 2H+ = Goe_uni2SeO4- + 2H2O
-             log_k     -5.84           
-             -cd_music  1. -1.  0 0 0
-        Goe_uniOH-0.5 + 2H+ + SeO4-2 = Goe_uniOH2SeO4H-0.5          
-             log_k     -2.19         
-             -cd_music  0.50 -0.50 0 0 0  
-#
-# HFO
-#
-        Hfocd_triO-0.5  = Hfocd_triO-0.5
-             -cd_music  0 0 0 0 0
-             log_k 0
-        Hfocd_triO-0.5 + H+ = Hfocd_triOH+0.5
-             -cd_music  1 0 0 0 0
-             log_k    9.20
-        Hfocd_uniOH-0.5 = Hfocd_uniOH-0.5
-             -cd_music  0 0 0 0 0
-             log_k 0
-        Hfocd_uniOH-0.5 + H+ = Hfocd_uniOH2+0.5
-             -cd_music  1 0 0 0 0
-             log_k    9.20
-# Na+
-        Hfocd_triO-0.5 + Na+ = Hfocd_triONa+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -0.60
-        Hfocd_uniOH-0.5 + Na+ = Hfocd_uniOHNa+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -0.60
-# K+
-        Hfocd_triO-0.5 + K+ = Hfocd_triOK+0.5
-             -cd_music  0 1 0 0 0
-             log_k    -1.71
-        Hfocd_uniOH-0.5 + K+ = Hfocd_uniOHK+0.5
-             -cd_music  0 1 0 0 0
-             log_k    1.71
-# Cl-
-        Hfocd_triO-0.5 + H+ + Cl- = Hfocd_triOHCl-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.76
-        Hfocd_uniOH-0.5 + H+ + Cl- = Hfocd_uniOH2Cl-0.5
-            -cd_music  1 -1 0 0 0
-            log_k    8.76
-# NO3-
-        Hfocd_triO-0.5 + H+ + NO3- = Hfocd_triOHNO3-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.52
-        Hfocd_uniOH-0.5 + H+ + NO3- = Hfocd_uniOH2NO3-0.5
-             -cd_music  1 -1 0 0 0
-             log_k    8.52
-# Ca+2
-        Hfocd_triO-0.5 + Ca+2 = Hfocd_triOCa+1.5
-             log_k      3.00
-             -cd_music  0.0  2.0  0 0 0
-        Hfocd_uniOH-0.5 + Ca+2 = Hfocd_uniOHCa+1.5
-             log_k      3.00
-             -cd_music  0.0  2.0  0 0 0
-        Hfocd_uniOH-0.5 + Ca+2 = Hfocd_uniOHCa+1.5
-             log_k      3.65
-             -cd_music  0.32  1.68  0 0 0
-        Hfocd_uniOH-0.5 + Ca+2 + H2O = Hfocd_uniOHCaOH+0.5 + H+
-             log_k      -9.25
-             -cd_music  0.32  1.68  0 0 0
-# Mg+2
-        2Hfocd_uniOH-0.5 + Mg+2 = (Hfocd_uniOH)2Mg+
-             log_k      4.90
-             -cd_music  0.71  1.29  0 0 0
-        2Hfocd_uniOH-0.5 + Mg+2 + H2O = (Hfocd_uniOH)2MgOH + H+
-             log_k      -6.47
-             -cd_music  0.71  1.29  0 0 0
-# CO3-2
-        2Hfocd_uniOH-0.5 + 2H+ + CO3-2 = (Hfocd_uniO)2CO- + 2H2O
-             log_k     22.33
-             -cd_music  0.68  -0.68  0 0 0
-# H3AsO3
-        Hfocd_uniOH-0.5 + H3AsO3 = Hfocd_uniOAs(OH)2-0.5 + H2O
-              log_k     5.31
-             -cd_music  0.16  -0.16 0 0 0
-
-        2Hfocd_uniOH-0.5 + H3AsO3 = (Hfocd_uniO)2AsOH- + 2H2O
-              log_k     5.89
-             -cd_music  0.34 -0.34 0 0 0
-# AsO4-3
-        Hfocd_uniOH-0.5 + 2H+ + AsO4-3 = Hfocd_uniOAsO2OH-1.5 + H2O
-             log_k     25.83
-             -cd_music  0.30 -1.30 0 0 0
-        2Hfocd_uniOH-0.5 + 2H+ + AsO4-3 = (Hfocd_uniO)2AsO2-2 + 2H2O
-             log_k     28.11
-             -cd_music  0.47  -1.47  0 0 0
-        2Hfocd_uniOH-0.5 + 3H+ + AsO4-3 = (Hfocd_uniO)2AsOOH- + 2H2O
-             log_k     33.41
-             -cd_music  0.58 -0.58 0 0 0
-# H3BO3
-        Hfocd_uniOH-0.5 + H3BO3 = Hfocd_uniOBH2O2-0.5 + H2O
-             log_k     1.92
-             -cd_music  0.16 -0.16 0 0 0
-        Hfocd_uniOH-0.5 + H3BO3 = Hfocd_uniOH3BO3-1.5 + H+
-             log_k     -8.10
-             -cd_music  0.16 -0.16 0 0 0
-# CrO4-2
-        Hfocd_uniOH-0.5 + H+ + CrO4-2 = Hfocd_uniOCrO3-1.5 + H2O   
-             log_k   11.11        
-             -cd_music  0.5  -1.5 0 0 0  
-# MoO4-2
-        Hfocd_uniOH-0.5 + 2H+ + MoO4-2 + H2O = Hfocd_uniOMo(OH)5-0.5
-             log_k     14.94
-             -cd_music  0.5  -0.5 0 0 0  # RH99
-        Hfocd_uniOH-0.5 + H+ + MoO4-2 = Hfocd_uniOMoO3-1.5 + H2O
-             log_k     11.38
-             -cd_music  0.5  -1.5 0 0 0  # RH99
-# SO4-2
-        Hfocd_uniOH-0.5 + H+ + SO4-2 = Hfocd_uniSO4-1.5 + H2O
-             log_k     2.77
-             -cd_music  0.65 -1.65 0 0 0  # RH99
-        2Hfocd_uniOH-0.5 + 2H+ +SO4-2 = Hfocd_uni2SO4- + 2H2O
-             log_k     0.20
-             -cd_music  1.5 -0.5  0 0 0
-        Hfocd_uniOH-0.5 + 2H+ + SO4-2 = Hfocd_uniSO4H-0.5 + H2O
-             log_k     4.12
-             -cd_music  1.5 -0.5 0 0 0  # RH99  
-        2Hfocd_uniOH-0.5 + 3H+ +SO4-2 = Hfocd_uni2SO4H + 2H2O
-             log_k     17.68
-             -cd_music  1  0  0 0 0
-# Sb(OH)6-
-        Hfocd_uniOH-0.5 + Sb(OH)6- = Hfocd_uniOSb(OH)5-1.5 + H2O   
-             log_k     9.75         
-             -cd_music  0.84  -1.83 0 0 0  
-        2Hfocd_uniOH-0.5 + Sb(OH)6- = Hfocd_uni2O2Sb(OH)4-2 + 2H2O  
-             log_k     -0.21           
-             -cd_music  1.67 -2.66 0 0 0
-# HSeO3-
-        2Hfocd_uniOH-0.5 + H+ + HSeO3- = Hfocd_uni2SeO3- + 2H2O   
-             log_k     9.61         
-             -cd_music  0.72 -0.72 0 0 0 
-        2Hfocd_uniOH-0.5 + 2H+ + HSeO3- = Hfocd_uni2HSeO3 + 2H2O   
-             log_k     15.15           
-             -cd_music  1.03 -0.03 0 0 0
-        Hfocd_uniOH-0.5 + H+ + HSeO3- = Hfocd_uniSeO3H-0.5 + H2O    
-             log_k     5.00           
-             -cd_music  0.43 -0.43 0 0 0
-        Hfocd_uniOH-0.5 + HSeO3- = Hfocd_uniSeO3-1.5 + H2O    
-             log_k     5.00           
-             -cd_music  0.20 -1.20 0 0 0
-# SeO4-2
-        Hfocd_uniOH-0.5 + H+ + SeO4-2 = Hfocd_uniSeO4-1.5 + H2O         
-             log_k     11.57         
-             -cd_music  0.50 -1.50 0 0 0 
-        2Hfocd_uniOH-0.5 + SeO4-2 + 2H+ = Hfocd_uni2SeO4- + 2H2O
-             log_k     4.04           
-             -cd_music  1. -1.  0 0 0
-        Hfocd_uniOH-0.5 + 2H+ + SeO4-2 = Hfocd_uniOH2SeO4H-0.5          
-             log_k     3.76         
-             -cd_music  0.50 -0.50 0 0 0  
-# VO2+
-        2Hfocd_uniOH-0.5 + VO2+ = Hfocd_uni2O2VO + H2O   
-             log_k     18.15           
-             -cd_music  1.50 -0.50  0 0 0
-END
-
-
+#  $Id: minteq.v4.dat 794 2006-02-27 21:06:22Z dlpark $
+#  expanded with CD-MUSIC parameters for sorption of oxyanions on goethite and HFO 1/14/2009 dv
+#  
+SOLUTION_MASTER_SPECIES
+Alkalinity	CO3-2		2.0     HCO3    61.0173
+E		e-		0	0	0
+O		H2O		0	O	16.00
+O(-2)		H2O		0	O
+O(0)		O2		0	O
+Ag		Ag+		0.0	Ag	107.868
+Al		Al+3		0.0	Al	26.9815
+As		H3AsO4		-1.0	As	74.9216
+As(3)		H3AsO3		0.0	As
+As(5)		H3AsO4		-1.0	As
+B		H3BO3		0.0	B	10.81
+Ba		Ba+2		0.0	Ba	137.33
+Be		Be+2		0.0	Be	9.0122
+Br		Br-		0.0	Br	79.904
+C		CO3-2		2.0	CO3	12.0111
+C(4)		CO3-2		2.0	CO3	12.0111
+Cyanide		Cyanide-	1.0	Cyanide	26.0177
+Dom_a		Dom_a		0.0	C	12.0111
+Dom_b		Dom_b		0.0	C	12.0111
+Dom_c		Dom_c		0.0	C	12.0111
+Ca		Ca+2		0.0	Ca	40.078
+Cd		Cd+2		0.0	Cd	112.41
+Cl		Cl-		0.0	Cl	35.453
+Co		Co+3		-1.0	Co	58.9332
+Co(2)		Co+2		0.0	Co
+Co(3)		Co+3		-1.0	Co
+Cr		CrO4-2		1.0	Cr	51.996
+Cr(2)		Cr+2		0.0	Cr
+Cr(3)		Cr(OH)2+	0.0	Cr
+Cr(6)		CrO4-2		1.0	Cr
+Cu		Cu+2		0.0	Cu	63.546
+Cu(1)		Cu+		0.0	Cu
+Cu(2)		Cu+2		0.0	Cu
+F		F-		0.0	F	18.9984
+Fe		Fe+3		-2.0	Fe	55.847
+Fe(2)		Fe+2		0.0	Fe
+Fe(3)		Fe+3		-2.0	Fe
+H		H+		-1.0	H	1.0079
+H(0)		H2		0	H
+H(1)		H+		-1.0	H
+Hg		Hg(OH)2		0.0	Hg	200.59
+Hg(0)           Hg		0.0	Hg
+Hg(1)		Hg2+2		0.0	Hg
+Hg(2)		Hg(OH)2		0.0	Hg
+I		I-		0.0	I	126.904
+K		K+		0.0	K	39.0983
+Li		Li+		0.0	Li	6.941
+Mg		Mg+2		0.0	Mg	24.305
+Mn		Mn+3		0.0	Mn	54.938
+Mn(2)		Mn+2		0.0	Mn
+Mn(3)		Mn+3		0.0	Mn
+Mn(6)		MnO4-2		0.0	Mn
+Mn(7)		MnO4-		0.0	Mn
+Mo		MoO4-2		0.0	Mo	95.94
+N		NO3-		0.0	N	14.0067
+N(-3)		NH4+		0.0	N
+N(3)		NO2-		0.0	N
+N(5)		NO3-		0.0	N
+Na		Na+		0.0	Na	22.9898
+Ni		Ni+2		0.0	Ni	58.69
+P		PO4-3		2.0	P	30.9738
+Pb		Pb+2		0.0	Pb	207.2
+S		SO4-2		0.0	SO4	32.066
+S(-2)		HS-		1.0	S
+#S(0)		S		0.0	S
+S(6)		SO4-2		0.0	SO4
+Sb		Sb(OH)6-	0.0	Sb	121.75
+Sb(3)		Sb(OH)3		0.0	Sb
+Sb(5)		Sb(OH)6-	0.0	Sb
+Se		SeO4-2		0.0	Se	78.96
+Se(-2)		HSe-		0.0	Se
+Se(4)		HSeO3-		0.0	Se
+Se(6)		SeO4-2		0.0	Se
+Si		H4SiO4		0.0	SiO2	28.0843
+Sn		Sn(OH)6-2	0.0	Sn	118.71
+Sn(2)		Sn(OH)2		0.0	Sn
+Sn(4)		Sn(OH)6-2	0.0	Sn
+Sr		Sr+2		0.0	Sr	87.62
+Tl		Tl(OH)3		0.0	Tl	204.383
+Tl(1)		Tl+		0.0	Tl
+Tl(3)		Tl(OH)3		0.0	Tl
+U		UO2+2		0.0	U	238.029
+U(3)		U+3		0.0	U
+U(4)		U+4		-4.0	U
+U(5)		UO2+		0.0	U
+U(6)		UO2+2		0.0	U
+V		VO2+		-2.0	V	50.94
+V(2)		V+2		0.0	V
+V(3)		V+3		-3.0	V
+V(4)		VO+2		0.0	V
+V(5)		VO2+		-2.0	V
+Zn		Zn+2		0.0	Zn	65.39
+Benzoate	Benzoate-	0.0	121.116	121.116
+Phenylacetate	Phenylacetate-	0.0	135.142	135.142
+Isophthalate	Isophthalate-2	0.0	164.117	164.117
+Diethylamine	Diethylamine	1.0	73.138	73.138
+Butylamine	Butylamine	1.0	73.138	73.138
+Methylamine	Methylamine	1.0	31.057	31.057
+Dimethylamine	Dimethylamine	1.0	45.084	45.084
+Hexylamine	Hexylamine	1.0	101.192	101.192
+Ethylenediamine	Ethylenediamine	2.0	60.099	60.099
+Propylamine	Propylamine	1.0	59.111	59.111
+Isopropylamine	Isopropylamine	1.0	59.111	59.111
+Trimethylamine	Trimethylamine	1.0	59.111	59.111
+Citrate		Citrate-3	2.0	189.102	189.102
+Nta		Nta-3		1.0	188.117	188.117
+Edta		Edta-4		2.0	288.214	288.214
+Propionate	Propionate-	1.0	73.072	73.072
+Butyrate	Butyrate-	1.0	87.098	87.098
+Isobutyrate	Isobutyrate-	1.0	87.098	87.098
+Two_picoline	Two_picoline	1.0	93.128	93.128
+Three_picoline	Three_picoline	1.0	93.128	93.128
+Four_picoline	Four_picoline	1.0	93.128	93.128
+Formate		Formate-	0.0	45.018	45.018
+Isovalerate	Isovalerate-	1.0	101.125	101.125
+Valerate	Valerate-	1.0	101.125	101.125
+Acetate		Acetate-	1.0	59.045	59.045
+Tartarate	Tartarate-2	0.0	148.072	148.072
+Glycine		Glycine-	1.0	74.059	74.059
+Salicylate	Salicylate-2	1.0	136.107	136.107
+Glutamate	Glutamate-2	1.0	145.115	145.115
+Phthalate	Phthalate-2	1.0	164.117	164.117
+SOLUTION_SPECIES
+e- = e-
+	log_k 0
+H2O = H2O
+	log_k 0
+Ag+ = Ag+
+	log_k 0
+Al+3 = Al+3
+	log_k 0
+H3AsO4 = H3AsO4
+	log_k 0
+H3BO3 = H3BO3
+	log_k 0
+Ba+2 = Ba+2
+	log_k 0
+Be+2 = Be+2
+	log_k 0
+Br- = Br-
+	log_k 0
+CO3-2 = CO3-2
+	log_k 0
+Cyanide- = Cyanide- 
+	log_k 0
+Dom_a = Dom_a
+	log_k 0
+Dom_b = Dom_b
+	log_k 0
+Dom_c = Dom_c
+	log_k 0
+Ca+2 = Ca+2
+	log_k 0
+Cd+2 = Cd+2
+	log_k 0
+Cl- = Cl-
+	log_k 0
+Co+3 = Co+3
+	log_k 0
+CrO4-2 = CrO4-2
+	log_k 0
+Cu+2 = Cu+2
+	log_k 0
+F- = F-
+	log_k 0
+Fe+3 = Fe+3
+	log_k 0
+H+ = H+
+	log_k 0
+Hg(OH)2 = Hg(OH)2
+	log_k 0
+I- = I-
+	log_k 0
+K+ = K+
+	log_k 0
+Li+ = Li+
+	log_k 0
+Mg+2 = Mg+2
+	log_k 0
+Mn+3 = Mn+3
+	log_k 0
+MoO4-2 = MoO4-2
+	log_k 0
+NO3- = NO3-
+	log_k 0
+Na+ = Na+
+	log_k 0
+Ni+2 = Ni+2
+	log_k 0
+PO4-3 = PO4-3
+	log_k 0
+Pb+2 = Pb+2
+	log_k 0
+SO4-2 = SO4-2
+	log_k 0
+Sb(OH)6- = Sb(OH)6-
+	log_k 0
+SeO4-2 = SeO4-2
+	log_k 0
+H4SiO4 = H4SiO4
+	log_k 0
+Sn(OH)6-2 = Sn(OH)6-2
+	log_k 0
+Sr+2 = Sr+2
+	log_k 0
+Tl(OH)3 = Tl(OH)3
+	log_k 0
+UO2+2 = UO2+2
+	log_k 0
+VO2+ = VO2+
+	log_k 0
+Benzoate- = Benzoate-
+	log_k 0
+Phenylacetate- = Phenylacetate-
+	log_k 0
+Isophthalate-2 = Isophthalate-2
+	log_k 0
+Zn+2 = Zn+2
+	log_k 0
+Diethylamine = Diethylamine
+	log_k 0
+Butylamine = Butylamine
+	log_k 0
+Methylamine = Methylamine
+	log_k 0
+Dimethylamine = Dimethylamine
+	log_k 0
+Hexylamine = Hexylamine
+	log_k 0
+Ethylenediamine = Ethylenediamine
+	log_k 0
+Propylamine = Propylamine
+	log_k 0
+Isopropylamine = Isopropylamine
+	log_k 0
+Trimethylamine = Trimethylamine
+	log_k 0
+Citrate-3 = Citrate-3
+	log_k 0
+Nta-3 = Nta-3
+	log_k 0
+Edta-4 = Edta-4
+	log_k 0
+Propionate- = Propionate-
+	log_k 0
+Butyrate- = Butyrate-
+	log_k 0
+Isobutyrate- = Isobutyrate-
+	log_k 0
+Two_picoline = Two_picoline
+	log_k 0
+Three_picoline = Three_picoline
+	log_k 0
+Four_picoline = Four_picoline
+	log_k 0
+Formate- = Formate-
+	log_k 0
+Isovalerate- = Isovalerate-
+	log_k 0
+Valerate- = Valerate-
+	log_k 0
+Acetate- = Acetate-
+	log_k 0
+Tartarate-2 = Tartarate-2
+	log_k 0
+Glycine- = Glycine-
+	log_k 0
+Salicylate-2 = Salicylate-2
+	log_k 0
+Glutamate-2 = Glutamate-2
+	log_k 0
+Phthalate-2 = Phthalate-2
+	log_k 0
+SOLUTION_SPECIES
+Fe+3 + e- = Fe+2
+	log_k	13.032
+	delta_h	-42.7	kJ
+	-gamma	0	0
+		#                  Id:	2802810
+		#        log K source:	Bard85                        
+		#      Delta H source:	Bard85                        
+		#T and ionic strength:	          
+H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
+	log_k	18.898
+	delta_h	-125.6	kJ
+	-gamma	0	0
+		#                  Id:	600610
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
+	log_k	24.31
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7407410
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + 3e- + 4H+ = U+3 + 2H2O
+	log_k	0.42
+	delta_h	-42	kJ
+	-gamma	0	0
+		#                  Id:	8908930
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + 2e- + 4H+ = U+4 + 2H2O
+	log_k	9.216
+	delta_h	-144.1	kJ
+	-gamma	0	0
+		#                  Id:	8918930
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + e- = UO2+
+	log_k	2.785
+	delta_h	-13.8	kJ
+	-gamma	0	0
+		#                  Id:	8928930
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+e- + Mn+3 = Mn+2
+	log_k	25.35
+	delta_h	-107.8	kJ
+	-gamma	0	0
+		#                  Id:	4704710
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Co+3 + e- = Co+2
+	log_k	32.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2002010
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cu+2 + e- = Cu+
+	log_k	2.69
+	delta_h	6.9	kJ
+	-gamma	0	0
+		#                  Id:	2302310
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+V+3 + e- = V+2
+	log_k	-4.31
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9009010
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+VO+2 + e- + 2H+ = V+3 + H2O
+	log_k	5.696
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9019020
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+VO2+ + e- + 2H+ = VO+2 + H2O
+	log_k	16.903
+	delta_h	-122.7	kJ
+	-gamma	0	0
+		#                  Id:	9029030
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+SO4-2 + 9H+ + 8e- = HS- + 4H2O
+	log_k	33.66
+	delta_h	-60.14	kJ
+	-gamma	0	0
+		#                  Id:	7307320
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O
+	log_k	19.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7907910
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
+	log_k	45.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8708710
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+HSeO3- + 6e- + 6H+ = HSe- + 3H2O
+	log_k	44.86
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7607610
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
+	log_k	36.308
+	delta_h	-201.2	kJ
+	-gamma	0	0
+		#                  Id:	7617620
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+0.5Hg2+2 + e- = Hg
+	log_k	6.5667
+	delta_h	-45.735	kJ
+	-gamma	0	0
+		#                  Id:	3600000
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+
+2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
+	log_k	43.185
+	delta_h	-63.59	kJ
+	-gamma	0	0
+		#                  Id:	3603610
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
+	log_k	2.947
+	delta_h	6.36	kJ
+	-gamma	0	0
+		#                  Id:	2102110
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
+	log_k	67.376
+	delta_h	-103	kJ
+	-gamma	0	0
+		#                  Id:	2112120
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+
+2H2O =  O2 + 4H+ + 4e-  
+#   Adjusted for equation to aqueous species	
+ 	log_k      -85.9951
+        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+
+2 H+ + 2 e- = H2
+        log_k           -3.15
+        delta_h -1.759 kcal
+
+NO3- + 2 H+ + 2 e- = NO2- + H2O
+        log_k           28.570
+        delta_h -43.760 kcal
+        -gamma    3.0000    0.0000
+
+NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+        log_k           119.077
+        delta_h -187.055        kcal
+        -gamma    2.5000    0.0000
+
+Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
+	log_k	-127.794
+	delta_h	822.67	kJ
+	-gamma	3	0
+		#                  Id:	4700020
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
+	log_k	-118.422
+	delta_h	711.07	kJ
+	-gamma	5	0
+		#                  Id:	4700021
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+HS- = S-2 + H+
+	log_k	-17.3
+	delta_h	49.4	kJ
+	-gamma	5	0
+		#                  Id:	3307301
+		#        log K source:	LMa1987                       
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.00 25.0
+HSe- = Se-2 + H+
+	log_k	-15
+	delta_h	48.116	kJ
+	-gamma	0	0
+		#                  Id:	3307601
+		#        log K source:	SCD3.02 (1968 DKa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 3H+ = Tl+3 + 3H2O
+	log_k	3.291
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8713300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+0.5Hg2+2 + e- = Hg
+	log_k	6.5667
+	delta_h	-45.735	kJ
+	-gamma	0	0
+		#                  Id:	3600000
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Hg(OH)2 + 2H+ = Hg+2 + 2H2O
+	log_k	6.194
+	delta_h	-39.72	kJ
+	-gamma	0	0
+		#                  Id:	3613300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
+	log_k	9.5688
+	delta_h	-129.62	kJ
+	-gamma	0	0
+		#                  Id:	2113300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.10 20.0
+H2O = OH- + H+
+	log_k	-13.997
+	delta_h	55.81	kJ
+	-gamma	3.5	0
+		#                  Id:	3300020
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ = Sn+2 + 2H2O
+	log_k	7.094
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + H+ = SnOH+ + H2O
+	log_k	3.697
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + H2O = Sn(OH)3- + H+
+	log_k	-9.497
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903303
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O
+	log_k	9.394
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903304
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O
+	log_k	14.394
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903305
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 = HSnO2- + H+
+	log_k	-8.9347
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7903306
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O
+	log_k	21.2194
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7913301
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Sn(OH)6-2 = SnO3-2 + 3H2O
+	log_k	-2.2099
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7913302
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Pb+2 + H2O = PbOH+ + H+
+	log_k	-7.597
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2H2O = Pb(OH)2 + 2H+
+	log_k	-17.094
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 3H2O = Pb(OH)3- + 3H+
+	log_k	-28.091
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Pb+2 + H2O = Pb2OH+3 + H+
+	log_k	-6.397
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
+	log_k	-23.888
+	delta_h	115.24	kJ
+	-gamma	0	0
+		#                  Id:	6003304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
+	log_k	-39.699
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003305
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+
+	log_k	-19.988
+	delta_h	88.24	kJ
+	-gamma	0	0
+		#                  Id:	6003306
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H3BO3 + F- = BF(OH)3-
+	log_k	-0.399
+	delta_h	7.7404	kJ
+	-gamma	2.5	0
+		#                  Id:	902700
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
+	log_k	7.63
+	delta_h	6.8408	kJ
+	-gamma	2.5	0
+		#                  Id:	902701
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
+	log_k	13.22
+	delta_h	-20.4897	kJ
+	-gamma	2.5	0
+		#                  Id:	902702
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Al+3 + H2O = AlOH+2 + H+
+	log_k	-4.997
+	delta_h	47.81	kJ
+	-gamma	5.4	0
+		#                  Id:	303300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 2H2O = Al(OH)2+ + 2H+
+	log_k	-10.094
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	303301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 3H2O = Al(OH)3 + 3H+
+	log_k	-16.791
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	303303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 4H2O = Al(OH)4- + 4H+
+	log_k	-22.688
+	delta_h	173.24	kJ
+	-gamma	4.5	0
+		#                  Id:	303302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + H2O = TlOH + H+
+	log_k	-13.207
+	delta_h	56.81	kJ
+	-gamma	0	0
+		#                  Id:	8703300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
+	log_k	2.694
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8713301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + H+ = Tl(OH)2+ + H2O
+	log_k	1.897
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8713302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + H2O = Tl(OH)4- + H+
+	log_k	-11.697
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8713303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + H2O = ZnOH+ + H+
+	log_k	-8.997
+	delta_h	55.81	kJ
+	-gamma	0	0
+		#                  Id:	9503300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2H2O = Zn(OH)2 + 2H+
+	log_k	-17.794
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9503301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 3H2O = Zn(OH)3- + 3H+
+	log_k	-28.091
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9503302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
+	log_k	-40.488
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9503303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + H2O = CdOH+ + H+
+	log_k	-10.097
+	delta_h	54.81	kJ
+	-gamma	0	0
+		#                  Id:	1603300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2H2O = Cd(OH)2 + 2H+
+	log_k	-20.294
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1603301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 3H2O = Cd(OH)3- + 3H+
+	log_k	-32.505
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1603302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
+	log_k	-47.288
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1603303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Cd+2 + H2O = Cd2OH+3 + H+
+	log_k	-9.397
+	delta_h	45.81	kJ
+	-gamma	0	0
+		#                  Id:	1603304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + H+ = HgOH+ + H2O
+	log_k	2.797
+	delta_h	-18.91	kJ
+	-gamma	0	0
+		#                  Id:	3613302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + H2O = Hg(OH)3- + H+
+	log_k	-14.897
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3613303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + H2O = CuOH+ + H+
+	log_k	-7.497
+	delta_h	35.81	kJ
+	-gamma	4	0
+		#                  Id:	2313300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2H2O = Cu(OH)2 + 2H+
+	log_k	-16.194
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2313301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 3H2O = Cu(OH)3- + 3H+
+	log_k	-26.879
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2313302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
+	log_k	-39.98
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2313303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
+	log_k	-10.594
+	delta_h	76.62	kJ
+	-gamma	0	0
+		#                  Id:	2313304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + H2O = AgOH + H+
+	log_k	-11.997
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	203300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2H2O = Ag(OH)2- + 2H+
+	log_k	-24.004
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	203301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + H2O = NiOH+ + H+
+	log_k	-9.897
+	delta_h	51.81	kJ
+	-gamma	0	0
+		#                  Id:	5403300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 2H2O = Ni(OH)2 + 2H+
+	log_k	-18.994
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5403301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 3H2O = Ni(OH)3- + 3H+
+	log_k	-29.991
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5403302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + H2O = CoOH+ + H+
+	log_k	-9.697
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003300
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2H2O = Co(OH)2 + 2H+
+	log_k	-18.794
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 3H2O = Co(OH)3- + 3H+
+	log_k	-31.491
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 4H2O = Co(OH)4-2 + 4H+
+	log_k	-46.288
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003303
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Co+2 + H2O = Co2OH+3 + H+
+	log_k	-10.997
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003304
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+4Co+2 + 4H2O = Co4(OH)4+4 + 4H+
+	log_k	-30.488
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2003306
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2H2O = CoOOH- + 3H+
+	log_k	-32.0915
+	delta_h	260.454	kJ
+	-gamma	0	0
+		#                  Id:	2003305
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Co+3 + H2O = CoOH+2 + H+
+	log_k	-1.291
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2013300
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Fe+2 + H2O = FeOH+ + H+
+	log_k	-9.397
+	delta_h	55.81	kJ
+	-gamma	5	0
+		#                  Id:	2803300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+2 + 2H2O = Fe(OH)2 + 2H+
+	log_k	-20.494
+	delta_h	119.62	kJ
+	-gamma	0	0
+		#                  Id:	2803302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+2 + 3H2O = Fe(OH)3- + 3H+
+	log_k	-28.991
+	delta_h	126.43	kJ
+	-gamma	5	0
+		#                  Id:	2803301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + H2O = FeOH+2 + H+
+	log_k	-2.187
+	delta_h	41.81	kJ
+	-gamma	5	0
+		#                  Id:	2813300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 2H2O = Fe(OH)2+ + 2H+
+	log_k	-4.594
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	2813301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 3H2O = Fe(OH)3 + 3H+
+	log_k	-12.56
+	delta_h	103.8	kJ
+	-gamma	0	0
+		#                  Id:	2813302
+		#        log K source:	Nord90                        
+		#      Delta H source:	Nord90                        
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 4H2O = Fe(OH)4- + 4H+
+	log_k	-21.588
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	2813303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
+	log_k	-2.854
+	delta_h	57.62	kJ
+	-gamma	0	0
+		#                  Id:	2813304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
+	log_k	-6.288
+	delta_h	65.24	kJ
+	-gamma	0	0
+		#                  Id:	2813305
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + H2O = MnOH+ + H+
+	log_k	-10.597
+	delta_h	55.81	kJ
+	-gamma	5	0
+		#                  Id:	4703300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + 3H2O = Mn(OH)3- + 3H+
+	log_k	-34.8
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4703301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Mn+2 + 4H2O = Mn(OH)4-2 + 4H+
+	log_k	-48.288
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4703302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
+	log_k	-127.794
+	delta_h	822.67	kJ
+	-gamma	3	0
+		#                  Id:	4700020
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
+	log_k	-118.422
+	delta_h	711.07	kJ
+	-gamma	5	0
+		#                  Id:	4700021
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
+	log_k	5.9118
+	delta_h	-77.91	kJ
+	-gamma	0	0
+		#                  Id:	2113301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + H2O = Cr(OH)3 + H+
+	log_k	-8.4222
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2113302
+		#        log K source:	SCD3.02 (1983 RCa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
+	log_k	-17.8192
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2113303
+		#        log K source:	SCD3.02 (1983 RCa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ = CrO2- + 2H+
+	log_k	-17.7456
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2113304
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+V+2 + H2O = VOH+ + H+
+	log_k	-6.487
+	delta_h	59.81	kJ
+	-gamma	0	0
+		#                  Id:	9003300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+V+3 + H2O = VOH+2 + H+
+	log_k	-2.297
+	delta_h	43.81	kJ
+	-gamma	0	0
+		#                  Id:	9013300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+V+3 + 2H2O = V(OH)2+ + 2H+
+	log_k	-6.274
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9013301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+V+3 + 3H2O = V(OH)3 + 3H+
+	log_k	-3.0843
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9013302
+		#        log K source:	SCD3.02 (1978 TKa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+2V+3 + 2H2O = V2(OH)2+4 + 2H+
+	log_k	-3.794
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9013304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2V+3 + 3H2O = V2(OH)3+3 + 3H+
+	log_k	-10.1191
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9013303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+VO+2 + 2H2O = V(OH)3+ + H+
+	log_k	-5.697
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9023300
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2VO+2 + 2H2O = H2V2O4+2 + 2H+
+	log_k	-6.694
+	delta_h	53.62	kJ
+	-gamma	0	0
+		#                  Id:	9023301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+U+4 + H2O = UOH+3 + H+
+	log_k	-0.597
+	delta_h	47.81	kJ
+	-gamma	0	0
+		#                  Id:	8913300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+U+4 + 2H2O = U(OH)2+2 + 2H+
+	log_k	-2.27
+	delta_h	74.1823	kJ
+	-gamma	0	0
+		#                  Id:	8913301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 3H2O = U(OH)3+ + 3H+
+	log_k	-4.935
+	delta_h	94.7467	kJ
+	-gamma	0	0
+		#                  Id:	8913302
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 4H2O = U(OH)4 + 4H+
+	log_k	-8.498
+	delta_h	103.596	kJ
+	-gamma	0	0
+		#                  Id:	8913303
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 5H2O = U(OH)5- + 5H+
+	log_k	-13.12
+	delta_h	115.374	kJ
+	-gamma	0	0
+		#                  Id:	8913304
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+6U+4 + 15H2O = U6(OH)15+9 + 15H+
+	log_k	-17.155
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8913305
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + H2O = UO2OH+ + H+
+	log_k	-5.897
+	delta_h	47.81	kJ
+	-gamma	0	0
+		#                  Id:	8933300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
+	log_k	-5.574
+	delta_h	41.82	kJ
+	-gamma	0	0
+		#                  Id:	8933301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
+	log_k	-15.585
+	delta_h	108.05	kJ
+	-gamma	0	0
+		#                  Id:	8933302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Be+2 + H2O = BeOH+ + H+
+	log_k	-5.397
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Be+2 + 2H2O = Be(OH)2 + 2H+
+	log_k	-13.594
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Be+2 + 3H2O = Be(OH)3- + 3H+
+	log_k	-23.191
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103303
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Be+2 + 4H2O = Be(OH)4-2 + 4H+
+	log_k	-37.388
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103304
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2Be+2 + H2O = Be2OH+3 + H+
+	log_k	-3.177
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103305
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+3Be+2 + 3H2O = Be3(OH)3+3 + 3H+
+	log_k	-8.8076
+	delta_h	0	kJ
+	-gamma	6.5	0
+		#                  Id:	1103306
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + H2O = MgOH+ + H+
+	log_k	-11.397
+	delta_h	67.81	kJ
+	-gamma	6.5	0
+		#                  Id:	4603300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + H2O = CaOH+ + H+
+	log_k	-12.697
+	delta_h	64.11	kJ
+	-gamma	6	0
+		#                  Id:	1503300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + H2O = SrOH+ + H+
+	log_k	-13.177
+	delta_h	60.81	kJ
+	-gamma	5	0
+		#                  Id:	8003300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + H2O = BaOH+ + H+
+	log_k	-13.357
+	delta_h	60.81	kJ
+	-gamma	5	0
+		#                  Id:	1003300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+H+ + F- = HF
+	log_k	3.17
+	delta_h	13.3	kJ
+	-gamma	0	0
+		#                  Id:	3302700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+H+ + 2F- = HF2-
+	log_k	3.75
+	delta_h	17.4	kJ
+	-gamma	3.5	0
+		#                  Id:	3302701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+2F- + 2H+ = H2F2
+	log_k	6.768
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3302702
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Sb(OH)3 + F- + H+ = SbOF + 2H2O
+	log_k	6.1864
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7402700
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
+	log_k	6.1937
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7402702
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
+	log_k	30.18
+	delta_h	-68	kJ
+	-gamma	5	0
+		#                  Id:	7702700
+		#        log K source:	Nord90                        
+		#      Delta H source:	Nord90                        
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O
+	log_k	11.582
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7902701
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O
+	log_k	14.386
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7902702
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O
+	log_k	17.206
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7902703
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O
+	log_k	33.5844
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7912701
+		#        log K source:	Bard85                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Pb+2 + F- = PbF+
+	log_k	1.848
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6002700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Pb+2 + 2F- = PbF2
+	log_k	3.142
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6002701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Pb+2 + 3F- = PbF3-
+	log_k	3.42
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6002702
+		#        log K source:	SCD3.02 (1956 TKa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 4F- = PbF4-2
+	log_k	3.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6002703
+		#        log K source:	SCD3.02 (1956 TKa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+H3BO3 + 3H+ + 4F- = BF4- + 3H2O
+	log_k	19.912
+	delta_h	-18.67	kJ
+	-gamma	2.5	0
+		#                  Id:	902703
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 1.00 25.0
+Al+3 + F- = AlF+2
+	log_k	7
+	delta_h	4.6	kJ
+	-gamma	5.4	0
+		#                  Id:	302700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 2F- = AlF2+
+	log_k	12.6
+	delta_h	8.3	kJ
+	-gamma	5.4	0
+		#                  Id:	302701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 3F- = AlF3
+	log_k	16.7
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	302702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 4F- = AlF4-
+	log_k	19.4
+	delta_h	8.7	kJ
+	-gamma	4.5	0
+		#                  Id:	302703
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + F- = TlF
+	log_k	0.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8702700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + F- = ZnF+
+	log_k	1.3
+	delta_h	11	kJ
+	-gamma	0	0
+		#                  Id:	9502700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + F- = CdF+
+	log_k	1.2
+	delta_h	5	kJ
+	-gamma	0	0
+		#                  Id:	1602700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2F- = CdF2
+	log_k	1.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1602701
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O
+	log_k	7.763
+	delta_h	-35.72	kJ
+	-gamma	0	0
+		#                  Id:	3612701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Cu+2 + F- = CuF+
+	log_k	1.8
+	delta_h	13	kJ
+	-gamma	0	0
+		#                  Id:	2312700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + F- = AgF
+	log_k	0.4
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	202700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + F- = NiF+
+	log_k	1.4
+	delta_h	7.1	kJ
+	-gamma	0	0
+		#                  Id:	5402700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + F- = CoF+
+	log_k	1.5
+	delta_h	9.2	kJ
+	-gamma	0	0
+		#                  Id:	2002700
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + F- = FeF+2
+	log_k	6.04
+	delta_h	10	kJ
+	-gamma	5	0
+		#                  Id:	2812700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 2F- = FeF2+
+	log_k	10.4675
+	delta_h	17	kJ
+	-gamma	5	0
+		#                  Id:	2812701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Fe+3 + 3F- = FeF3
+	log_k	13.617
+	delta_h	29	kJ
+	-gamma	0	0
+		#                  Id:	2812702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Mn+2 + F- = MnF+
+	log_k	1.6
+	delta_h	11	kJ
+	-gamma	5	0
+		#                  Id:	4702700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O
+	log_k	14.7688
+	delta_h	-70.2452	kJ
+	-gamma	0	0
+		#                  Id:	2112700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+VO+2 + F- = VOF+
+	log_k	3.778
+	delta_h	7.9	kJ
+	-gamma	0	0
+		#                  Id:	9022700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+VO+2 + 2F- = VOF2
+	log_k	6.352
+	delta_h	14	kJ
+	-gamma	0	0
+		#                  Id:	9022701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+VO+2 + 3F- = VOF3-
+	log_k	7.902
+	delta_h	20	kJ
+	-gamma	0	0
+		#                  Id:	9022702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+VO+2 + 4F- = VOF4-2
+	log_k	8.508
+	delta_h	26	kJ
+	-gamma	0	0
+		#                  Id:	9022703
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+VO2+ + F- = VO2F
+	log_k	3.244
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9032700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+VO2+ + 2F- = VO2F2-
+	log_k	5.804
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9032701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+VO2+ + 3F- = VO2F3-2
+	log_k	6.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9032702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+VO2+ + 4F- = VO2F4-3
+	log_k	6.592
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9032703
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+U+4 + F- = UF+3
+	log_k	9.3
+	delta_h	21.1292	kJ
+	-gamma	0	0
+		#                  Id:	8912700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+U+4 + 2F- = UF2+2
+	log_k	16.4
+	delta_h	30.1248	kJ
+	-gamma	0	0
+		#                  Id:	8912701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+U+4 + 3F- = UF3+
+	log_k	21.6
+	delta_h	29.9156	kJ
+	-gamma	0	0
+		#                  Id:	8912702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+U+4 + 4F- = UF4
+	log_k	23.64
+	delta_h	19.2464	kJ
+	-gamma	0	0
+		#                  Id:	8912703
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 5F- = UF5-
+	log_k	25.238
+	delta_h	20.2924	kJ
+	-gamma	0	0
+		#                  Id:	8912704
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 6F- = UF6-2
+	log_k	27.718
+	delta_h	13.8072	kJ
+	-gamma	0	0
+		#                  Id:	8912705
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + F- = UO2F+
+	log_k	5.14
+	delta_h	1	kJ
+	-gamma	0	0
+		#                  Id:	8932700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 2F- = UO2F2
+	log_k	8.6
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	8932701
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 3F- = UO2F3-
+	log_k	11
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	8932702
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 4F- = UO2F4-2
+	log_k	11.9
+	delta_h	0.4	kJ
+	-gamma	0	0
+		#                  Id:	8932703
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Be+2 + F- = BeF+
+	log_k	5.249
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1102701
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Be+2 + 2F- = BeF2
+	log_k	9.1285
+	delta_h	-4	kJ
+	-gamma	0	0
+		#                  Id:	1102702
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Be+2 + 3F- = BeF3-
+	log_k	11.9085
+	delta_h	-8	kJ
+	-gamma	0	0
+		#                  Id:	1102703
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Mg+2 + F- = MgF+
+	log_k	2.05
+	delta_h	13	kJ
+	-gamma	4.5	0
+		#                  Id:	4602700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + F- = CaF+
+	log_k	1.038
+	delta_h	14	kJ
+	-gamma	5	0
+		#                  Id:	1502700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+Sr+2 + F- = SrF+
+	log_k	0.548
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	8002701
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 1.00 25.0
+Na+ + F- = NaF
+	log_k	-0.2
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	5002700
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O
+	log_k	8.734
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O
+	log_k	9.524
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901802
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O
+	log_k	8.3505
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901803
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 2.00 25.0
+Pb+2 + Cl- = PbCl+
+	log_k	1.55
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	6001800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2Cl- = PbCl2
+	log_k	2.2
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	6001801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 3Cl- = PbCl3-
+	log_k	1.8
+	delta_h	4	kJ
+	-gamma	0	0
+		#                  Id:	6001802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 4Cl- = PbCl4-2
+	log_k	1.46
+	delta_h	14.7695	kJ
+	-gamma	0	0
+		#                  Id:	6001803
+		#        log K source:	SCD3.02 (1984 SEa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Tl+ + Cl- = TlCl
+	log_k	0.51
+	delta_h	-6.2	kJ
+	-gamma	0	0
+		#                  Id:	8701800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + 2Cl- = TlCl2-
+	log_k	0.28
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8701801
+		#        log K source:	SCD3.02 (1992 RAb)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O
+	log_k	11.011
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O
+	log_k	16.771
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O
+	log_k	19.791
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O
+	log_k	21.591
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711803
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
+	log_k	10.629
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711804
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + Cl- = ZnCl+
+	log_k	0.4
+	delta_h	5.4	kJ
+	-gamma	4	0
+		#                  Id:	9501800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2Cl- = ZnCl2
+	log_k	0.6
+	delta_h	37	kJ
+	-gamma	0	0
+		#                  Id:	9501801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 3Cl- = ZnCl3-
+	log_k	0.5
+	delta_h	39.999	kJ
+	-gamma	4	0
+		#                  Id:	9501802
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + 4Cl- = ZnCl4-2
+	log_k	0.199
+	delta_h	45.8566	kJ
+	-gamma	5	0
+		#                  Id:	9501803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + H2O + Cl- = ZnOHCl + H+
+	log_k	-7.48
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9501804
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cd+2 + Cl- = CdCl+
+	log_k	1.98
+	delta_h	1	kJ
+	-gamma	0	0
+		#                  Id:	1601800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2Cl- = CdCl2
+	log_k	2.6
+	delta_h	3	kJ
+	-gamma	0	0
+		#                  Id:	1601801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 3Cl- = CdCl3-
+	log_k	2.4
+	delta_h	10	kJ
+	-gamma	0	0
+		#                  Id:	1601802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + H2O + Cl- = CdOHCl + H+
+	log_k	-7.404
+	delta_h	18.2213	kJ
+	-gamma	0	0
+		#                  Id:	1601803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O
+	log_k	13.494
+	delta_h	-62.72	kJ
+	-gamma	0	0
+		#                  Id:	3611800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O
+	log_k	20.194
+	delta_h	-92.42	kJ
+	-gamma	0	0
+		#                  Id:	3611801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O
+	log_k	21.194
+	delta_h	-94.02	kJ
+	-gamma	0	0
+		#                  Id:	3611802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O
+	log_k	21.794
+	delta_h	-100.72	kJ
+	-gamma	0	0
+		#                  Id:	3611803
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
+	log_k	25.532
+	delta_h	-135.3	kJ
+	-gamma	0	0
+		#                  Id:	3611804
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Hg(OH)2 + H+ + Cl- = HgClOH + H2O
+	log_k	10.444
+	delta_h	-42.72	kJ
+	-gamma	0	0
+		#                  Id:	3611805
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+Cu+2 + Cl- = CuCl+
+	log_k	0.2
+	delta_h	8.3	kJ
+	-gamma	4	0
+		#                  Id:	2311800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2Cl- = CuCl2
+	log_k	-0.26
+	delta_h	44.183	kJ
+	-gamma	0	0
+		#                  Id:	2311801
+		#        log K source:	SCD3.02 (1989 IPa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 3Cl- = CuCl3-
+	log_k	-2.29
+	delta_h	57.279	kJ
+	-gamma	4	0
+		#                  Id:	2311802
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cu+2 + 4Cl- = CuCl4-2
+	log_k	-4.59
+	delta_h	32.5515	kJ
+	-gamma	5	0
+		#                  Id:	2311803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cu+ + 2Cl- = CuCl2-
+	log_k	5.42
+	delta_h	-1.7573	kJ
+	-gamma	4	0
+		#                  Id:	2301800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+ + 3Cl- = CuCl3-2
+	log_k	4.75
+	delta_h	1.0878	kJ
+	-gamma	5	0
+		#                  Id:	2301801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+ + Cl- = CuCl
+	log_k	3.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2301802
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + Cl- = AgCl
+	log_k	3.31
+	delta_h	-12	kJ
+	-gamma	0	0
+		#                  Id:	201800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2Cl- = AgCl2-
+	log_k	5.25
+	delta_h	-16	kJ
+	-gamma	0	0
+		#                  Id:	201801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 3Cl- = AgCl3-2
+	log_k	5.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 4Cl- = AgCl4-3
+	log_k	5.51
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Ni+2 + Cl- = NiCl+
+	log_k	0.408
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	5401800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+Ni+2 + 2Cl- = NiCl2
+	log_k	-1.89
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401801
+		#        log K source:	SCD3.02 (1989 IPa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + Cl- = CoCl+
+	log_k	0.539
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	2001800
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Co+3 + Cl- = CoCl+2
+	log_k	2.3085
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	2011800
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Fe+3 + Cl- = FeCl+2
+	log_k	1.48
+	delta_h	23	kJ
+	-gamma	5	0
+		#                  Id:	2811800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 2Cl- = FeCl2+
+	log_k	2.13
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	2811801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 3Cl- = FeCl3
+	log_k	1.13
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2811802
+		#        log K source:	Nord90                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + Cl- = MnCl+
+	log_k	0.1
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4701800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 20.0
+Mn+2 + 2Cl- = MnCl2
+	log_k	0.25
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4701801
+		#        log K source:	Nord90                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + 3Cl- = MnCl3-
+	log_k	-0.31
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4701802
+		#        log K source:	Nord90                        
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O
+	log_k	9.6808
+	delta_h	-103.62	kJ
+	-gamma	0	0
+		#                  Id:	2111800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
+	log_k	8.658
+	delta_h	-39.2208	kJ
+	-gamma	0	0
+		#                  Id:	2111801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
+	log_k	2.9627
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2111802
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+VO+2 + Cl- = VOCl+
+	log_k	0.448
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9021800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+U+4 + Cl- = UCl+3
+	log_k	1.7
+	delta_h	-20	kJ
+	-gamma	0	0
+		#                  Id:	8911800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + Cl- = UO2Cl+
+	log_k	0.21
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	8931800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Be+2 + Cl- = BeCl+
+	log_k	0.2009
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	1101801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.70 20.0
+Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O
+	log_k	8.254
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O
+	log_k	8.794
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O
+	log_k	7.48
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901303
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 3.00 25.0
+Pb+2 + Br- = PbBr+
+	log_k	1.7
+	delta_h	8	kJ
+	-gamma	0	0
+		#                  Id:	6001300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2Br- = PbBr2
+	log_k	2.6
+	delta_h	-4	kJ
+	-gamma	0	0
+		#                  Id:	6001301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + Br- = TlBr
+	log_k	0.91
+	delta_h	-12	kJ
+	-gamma	0	0
+		#                  Id:	8701300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + 2Br- = TlBr2-
+	log_k	-0.384
+	delta_h	12.36	kJ
+	-gamma	0	0
+		#                  Id:	8701301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 4.00 25.0
+Tl+ + Br- + Cl- = TlBrCl-
+	log_k	0.8165
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8701302
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl+ + I- + Br- = TlIBr-
+	log_k	2.185
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8703802
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O
+	log_k	12.803
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O
+	log_k	20.711
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
+	log_k	27.0244
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711302
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
+	log_k	31.1533
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8711303
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + Br- = ZnBr+
+	log_k	-0.07
+	delta_h	1	kJ
+	-gamma	0	0
+		#                  Id:	9501300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2Br- = ZnBr2
+	log_k	-0.98
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9501301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cd+2 + Br- = CdBr+
+	log_k	2.15
+	delta_h	-3	kJ
+	-gamma	0	0
+		#                  Id:	1601300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2Br- = CdBr2
+	log_k	3
+	delta_h	-3	kJ
+	-gamma	0	0
+		#                  Id:	1601301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O
+	log_k	15.803
+	delta_h	-81.92	kJ
+	-gamma	0	0
+		#                  Id:	3611301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O
+	log_k	24.2725
+	delta_h	-127.12	kJ
+	-gamma	0	0
+		#                  Id:	3611302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
+	log_k	26.7025
+	delta_h	-138.82	kJ
+	-gamma	0	0
+		#                  Id:	3611303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
+	log_k	27.933
+	delta_h	-153.72	kJ
+	-gamma	0	0
+		#                  Id:	3611304
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
+	log_k	22.1811
+	delta_h	-113.77	kJ
+	-gamma	0	0
+		#                  Id:	3611305
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
+	log_k	27.3133
+	delta_h	-151.27	kJ
+	-gamma	0	0
+		#                  Id:	3611306
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
+	log_k	34.2135
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611307
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
+	log_k	32.3994
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611308
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
+	log_k	30.1528
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611309
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + H+ + Br- = HgBrOH + H2O
+	log_k	12.433
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3613301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Ag+ + Br- = AgBr
+	log_k	4.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2Br- = AgBr2-
+	log_k	7.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 3Br- = AgBr3-2
+	log_k	8.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + Br- = NiBr+
+	log_k	0.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
+	log_k	7.5519
+	delta_h	-46.9068	kJ
+	-gamma	0	0
+		#                  Id:	2111300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Be+2 + Br- = BeBr+
+	log_k	0.1009
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	1101301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.70 20.0
+Pb+2 + I- = PbI+
+	log_k	2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2I- = PbI2
+	log_k	3.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6003801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Tl+ + I- = TlI
+	log_k	1.4279
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8703800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl+ + 2I- = TlI2-
+	log_k	1.8588
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8703801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
+	log_k	34.7596
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8713800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + I- = ZnI+
+	log_k	-2.0427
+	delta_h	-4	kJ
+	-gamma	0	0
+		#                  Id:	9503800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 3.00 25.0
+Zn+2 + 2I- = ZnI2
+	log_k	-1.69
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9503801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cd+2 + I- = CdI+
+	log_k	2.28
+	delta_h	-9.6	kJ
+	-gamma	0	0
+		#                  Id:	1603800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2I- = CdI2
+	log_k	3.92
+	delta_h	-12	kJ
+	-gamma	0	0
+		#                  Id:	1603801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O
+	log_k	19.603
+	delta_h	-111.22	kJ
+	-gamma	0	0
+		#                  Id:	3613801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O
+	log_k	30.8225
+	delta_h	-182.72	kJ
+	-gamma	0	0
+		#                  Id:	3613802
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O
+	log_k	34.6025
+	delta_h	-194.22	kJ
+	-gamma	0	0
+		#                  Id:	3613803
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O
+	log_k	36.533
+	delta_h	-220.72	kJ
+	-gamma	0	0
+		#                  Id:	3613804
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Ag+ + I- = AgI
+	log_k	6.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	203800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 18.0
+Ag+ + 2I- = AgI2-
+	log_k	11.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	203801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 18.0
+Ag+ + 3I- = AgI3-2
+	log_k	12.6
+	delta_h	-122	kJ
+	-gamma	0	0
+		#                  Id:	203802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 4I- = AgI4-3
+	log_k	14.229
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	203803
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 25.0
+Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
+	log_k	4.8289
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2113800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H+ + HS- = H2S
+	log_k	7.02
+	delta_h	-22	kJ
+	-gamma	0	0
+		#                  Id:	3307300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2HS- = Pb(HS)2
+	log_k	15.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6007300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Pb+2 + 3HS- = Pb(HS)3-
+	log_k	16.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6007301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Tl+ + HS- = TlHS
+	log_k	2.474
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8707300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+2Tl+ + HS- = Tl2HS+
+	log_k	5.974
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8707301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
+	log_k	1.0044
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8707302
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
+	log_k	-11.0681
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8707303
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + 2HS- = Zn(HS)2
+	log_k	12.82
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507300
+		#        log K source:	DHa1993                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 3HS- = Zn(HS)3-
+	log_k	16.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + 3HS- = ZnS(HS)2-2 + H+
+	log_k	6.12
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507302
+		#        log K source:	DHa1993                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2HS- + 2HS- = Zn(HS)4-2
+	log_k	14.64
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507303
+		#        log K source:	DHa1993                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2HS- = ZnS(HS)- + H+
+	log_k	6.81
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507304
+		#        log K source:	DHa1993                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + HS- = CdHS+
+	log_k	8.008
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + 2HS- = Cd(HS)2
+	log_k	15.212
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + 3HS- = Cd(HS)3-
+	log_k	17.112
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + 4HS- = Cd(HS)4-2
+	log_k	19.308
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607303
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
+	log_k	29.414
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3617300
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O
+	log_k	44.516
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3617301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O
+	log_k	38.122
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3617302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+Cu+2 + 3HS- = Cu(HS)3-
+	log_k	25.899
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2317300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Ag+ + HS- = AgHS
+	log_k	13.8145
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207300
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+Ag+ + 2HS- = Ag(HS)2-
+	log_k	17.9145
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+Fe+2 + 2HS- = Fe(HS)2
+	log_k	8.95
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2807300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Fe+2 + 3HS- = Fe(HS)3-
+	log_k	10.987
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2807301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+HS- = S2-2 + H+
+	log_k	-11.7828
+	delta_h	46.4	kJ
+	-gamma	0	0
+	-no_check
+		#                  Id:	7317300
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+HS- = S3-2 + H+
+	log_k	-10.7667
+	delta_h	42.2	kJ
+	-gamma	0	0
+	-no_check
+		#                  Id:	7317301
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+HS- = S4-2 + H+
+	log_k	-9.9608
+	delta_h	39.3	kJ
+	-gamma	0	0
+	-no_check
+		#                  Id:	7317302
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+HS- = S5-2 + H+
+	log_k	-9.3651
+	delta_h	37.6	kJ
+	-gamma	0	0
+	-no_check
+		#                  Id:	7317303
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+HS- = S6-2 + H+
+	log_k	-9.881
+	delta_h	0	kJ
+	-gamma	0	0
+	-no_check
+		#                  Id:	7317304
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
+	log_k	49.3886
+	delta_h	-321.78	kJ
+	-gamma	0	0
+		#                  Id:	7407300
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Cu+ + 2HS- = Cu(S4)2-3 + 2H+
+	log_k	3.39
+	delta_h	0	kJ
+	-gamma	23	0
+	-no_check
+		#                  Id:	2307300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cu+ + 2HS- = CuS4S5-3 + 2H+
+	log_k	2.66
+	delta_h	0	kJ
+	-gamma	25	0
+	-no_check
+		#                  Id:	2307301
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Ag+ + 2HS- = Ag(S4)2-3 + 2H+
+	log_k	0.991
+	delta_h	0	kJ
+	-gamma	22	0
+	-no_check
+		#                  Id:	207302
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Ag+ + 2HS- = AgS4S5-3 + 2H+
+	log_k	0.68
+	delta_h	0	kJ
+	-gamma	24	0
+	-no_check
+		#                  Id:	207303
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Ag+ + 2HS- = Ag(HS)S4-2 + H+
+	log_k	10.431
+	delta_h	0	kJ
+	-gamma	15	0
+	-no_check
+		#                  Id:	207304
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H+ + SO4-2 = HSO4-
+	log_k	1.99
+	delta_h	22	kJ
+	-gamma	4.5	0
+		#                  Id:	3307320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+NH4+ + SO4-2 = NH4SO4-
+	log_k	1.03
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4907320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + SO4-2 = PbSO4
+	log_k	2.69
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6007320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2SO4-2 = Pb(SO4)2-2
+	log_k	3.47
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6007321
+		#        log K source:	SCD3.02 (1960 RKa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Al+3 + SO4-2 = AlSO4+
+	log_k	3.89
+	delta_h	28	kJ
+	-gamma	4.5	0
+		#                  Id:	307320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Al+3 + 2SO4-2 = Al(SO4)2-
+	log_k	4.92
+	delta_h	11.9	kJ
+	-gamma	4.5	0
+		#                  Id:	307321
+		#        log K source:	Nord90                        
+		#      Delta H source:	Nord90                        
+		#T and ionic strength:	 0.00 25.0
+Tl+ + SO4-2 = TlSO4-
+	log_k	1.37
+	delta_h	-0.8	kJ
+	-gamma	0	0
+		#                  Id:	8707320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + SO4-2 = ZnSO4
+	log_k	2.34
+	delta_h	6.2	kJ
+	-gamma	0	0
+		#                  Id:	9507320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2SO4-2 = Zn(SO4)2-2
+	log_k	3.28
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507321
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cd+2 + SO4-2 = CdSO4
+	log_k	2.37
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	1607320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2SO4-2 = Cd(SO4)2-2
+	log_k	3.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607321
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O
+	log_k	8.612
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3617320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Cu+2 + SO4-2 = CuSO4
+	log_k	2.36
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	2317320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + SO4-2 = AgSO4-
+	log_k	1.3
+	delta_h	6.2	kJ
+	-gamma	0	0
+		#                  Id:	207320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + SO4-2 = NiSO4
+	log_k	2.3
+	delta_h	5.8	kJ
+	-gamma	0	0
+		#                  Id:	5407320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 2SO4-2 = Ni(SO4)2-2
+	log_k	0.82
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5407321
+		#        log K source:	SCD3.02 (1978 BLa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + SO4-2 = CoSO4
+	log_k	2.3
+	delta_h	6.2	kJ
+	-gamma	0	0
+		#                  Id:	2007320
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Fe+2 + SO4-2 = FeSO4
+	log_k	2.39
+	delta_h	8	kJ
+	-gamma	0	0
+		#                  Id:	2807320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + SO4-2 = FeSO4+
+	log_k	4.05
+	delta_h	25	kJ
+	-gamma	5	0
+		#                  Id:	2817320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 2SO4-2 = Fe(SO4)2-
+	log_k	5.38
+	delta_h	19.2	kJ
+	-gamma	0	0
+		#                  Id:	2817321
+		#        log K source:	Nord90                        
+		#      Delta H source:	Nord90                        
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + SO4-2 = MnSO4
+	log_k	2.25
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	4707320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O
+	log_k	12.9371
+	delta_h	-98.62	kJ
+	-gamma	0	0
+		#                  Id:	2117320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 50.0
+Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O
+	log_k	8.2871
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2117321
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
+	log_k	16.155
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2117323
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
+	log_k	17.9288
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2117324
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + SO4-2 = USO4+2
+	log_k	6.6
+	delta_h	8	kJ
+	-gamma	0	0
+		#                  Id:	8917320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+U+4 + 2SO4-2 = U(SO4)2
+	log_k	10.5
+	delta_h	33	kJ
+	-gamma	0	0
+		#                  Id:	8917321
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + SO4-2 = UO2SO4
+	log_k	3.18
+	delta_h	20	kJ
+	-gamma	0	0
+		#                  Id:	8937320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 2SO4-2 = UO2(SO4)2-2
+	log_k	4.3
+	delta_h	38	kJ
+	-gamma	0	0
+		#                  Id:	8937321
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+V+3 + SO4-2 = VSO4+
+	log_k	2.674
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9017320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+VO+2 + SO4-2 = VOSO4
+	log_k	2.44
+	delta_h	17	kJ
+	-gamma	0	0
+		#                  Id:	9027320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+VO2+ + SO4-2 = VO2SO4-
+	log_k	1.378
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9037320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+Be+2 + SO4-2 = BeSO4
+	log_k	2.19
+	delta_h	29	kJ
+	-gamma	0	0
+		#                  Id:	1107321
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Be+2 + 2SO4-2 = Be(SO4)2-2
+	log_k	2.596
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1107322
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Mg+2 + SO4-2 = MgSO4
+	log_k	2.26
+	delta_h	5.8	kJ
+	-gamma	0	0
+		#                  Id:	4607320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + SO4-2 = CaSO4
+	log_k	2.36
+	delta_h	7.1	kJ
+	-gamma	0	0
+		#                  Id:	1507320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + SO4-2 = SrSO4
+	log_k	2.3
+	delta_h	8	kJ
+	-gamma	0	0
+		#                  Id:	8007321
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Li+ + SO4-2 = LiSO4-
+	log_k	0.64
+	delta_h	0	kJ
+	-gamma	5	0
+		#                  Id:	4407320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Na+ + SO4-2 = NaSO4-
+	log_k	0.73
+	delta_h	1	kJ
+	-gamma	5.4	0
+		#                  Id:	5007320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+K+ + SO4-2 = KSO4-
+	log_k	0.85
+	delta_h	4.1	kJ
+	-gamma	5.4	0
+		#                  Id:	4107320
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+HSe- + H+ = H2Se
+	log_k	3.89
+	delta_h	3.3	kJ
+	-gamma	0	0
+		#                  Id:	3307600
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.00 25.0
+2Ag+ + HSe- = Ag2Se + H+
+	log_k	34.911
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207600
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+
+	log_k	-20.509
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207601
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Mn+2 + HSe- = MnSe + H+
+	log_k	-5.385
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4707600
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+HSeO3- = SeO3-2 + H+
+	log_k	-8.4
+	delta_h	5.02	kJ
+	-gamma	0	0
+		#                  Id:	3307611
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+HSeO3- + H+ = H2SeO3
+	log_k	2.63
+	delta_h	6.2	kJ
+	-gamma	0	0
+		#                  Id:	3307610
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+
+	log_k	-10.884
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607610
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Ag+ + HSeO3- = AgSeO3- + H+
+	log_k	-5.592
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207610
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+
+	log_k	-13.04
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	207611
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Fe+3 + HSeO3- = FeHSeO3+2
+	log_k	3.422
+	delta_h	25	kJ
+	-gamma	0	0
+		#                  Id:	2817610
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+SeO4-2 + H+ = HSeO4-
+	log_k	1.7
+	delta_h	23	kJ
+	-gamma	0	0
+		#                  Id:	3307620
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + SeO4-2 = ZnSeO4
+	log_k	2.19
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507620
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2SeO4-2 = Zn(SeO4)2-2
+	log_k	2.196
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9507621
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + SeO4-2 = CdSeO4
+	log_k	2.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1607620
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + SeO4-2 = NiSeO4
+	log_k	2.67
+	delta_h	14	kJ
+	-gamma	0	0
+		#                  Id:	5407620
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + SeO4-2 = CoSeO4
+	log_k	2.7
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	2007621
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + SeO4-2 = MnSeO4
+	log_k	2.43
+	delta_h	14	kJ
+	-gamma	0	0
+		#                  Id:	4707620
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+NH4+ = NH3 + H+
+	log_k	-9.244
+	delta_h	-52	kJ
+	-gamma	0	0
+		#                  Id:	3304900
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + NH4+ = AgNH3+ + H+
+	log_k	-5.934
+	delta_h	-72	kJ
+	-gamma	0	0
+		#                  Id:	204901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+
+	log_k	-11.268
+	delta_h	-160	kJ
+	-gamma	0	0
+		#                  Id:	204902
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O
+	log_k	5.75
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3614900
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 22.0
+Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
+	log_k	5.506
+	delta_h	-246.72	kJ
+	-gamma	0	0
+		#                  Id:	3614901
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 1.00 25.0
+Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+
+	log_k	-3.138
+	delta_h	-312.72	kJ
+	-gamma	0	0
+		#                  Id:	3614902
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 2.00 25.0
+Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+
+	log_k	-11.482
+	delta_h	-379.72	kJ
+	-gamma	0	0
+		#                  Id:	3614903
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.10 25.0
+Cu+2 + NH4+ = CuNH3+2 + H+
+	log_k	-5.234
+	delta_h	-72	kJ
+	-gamma	0	0
+		#                  Id:	2314901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + NH4+ = NiNH3+2 + H+
+	log_k	-6.514
+	delta_h	-67	kJ
+	-gamma	0	0
+		#                  Id:	5404901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+
+	log_k	-13.598
+	delta_h	-111.6	kJ
+	-gamma	0	0
+		#                  Id:	5404902
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + NH4+ = Co(NH3)+2 + H+
+	log_k	-7.164
+	delta_h	-65	kJ
+	-gamma	0	0
+		#                  Id:	2004900
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+
+	log_k	-14.778
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 25.0
+Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+
+	log_k	-22.922
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004902
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 25.0
+Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+
+	log_k	-31.446
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004903
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 30.0
+Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+
+	log_k	-40.47
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004904
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 2.00 30.0
+Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+
+	log_k	-43.7148
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2014901
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+
+	log_k	-17.9584
+	delta_h	113.38	kJ
+	-gamma	0	0
+		#                  Id:	2014902
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+
+	log_k	-33.9179
+	delta_h	104.34	kJ
+	-gamma	0	0
+		#                  Id:	2014903
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+
+	log_k	-33.8884
+	delta_h	110.57	kJ
+	-gamma	0	0
+		#                  Id:	2014904
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+
+	log_k	-33.4808
+	delta_h	115.44	kJ
+	-gamma	0	0
+		#                  Id:	2014905
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+
+	log_k	-28.9926
+	delta_h	124.5	kJ
+	-gamma	0	0
+		#                  Id:	2014906
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+
+	log_k	-32.8952
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2114900
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 4.50 25.0
+Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
+	log_k	-30.2759
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2114901
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
+	log_k	-31.7932
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2114904
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
+	log_k	-31.887
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2114905
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
+	log_k	-32.008
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2114906
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+#Cr(OH)2+ + 4NH4+ = cis+ + 4H+
+#	log_k	-29.8574
+#	delta_h	0	kJ
+#	-gamma	0	0
+#		#                  Id:	4902113
+#		#        log K source:	MTQ3.11                       
+#		#      Delta H source:	MTQ3.11                       
+#		#T and ionic strength:	          
+#Cr(OH)2+ + 4NH4+ = trans+ + 4H+
+#	log_k	-30.5537
+#	delta_h	0	kJ
+#	-gamma	0	0
+#		#                  Id:	4902114
+#		#        log K source:	MTQ3.11                       
+#		#      Delta H source:	MTQ3.11                       
+#		#T and ionic strength:	          
+Ca+2 + NH4+ = CaNH3+2 + H+
+	log_k	-9.144
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1504901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+
+	log_k	-18.788
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1504902
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Sr+2 + NH4+ = SrNH3+2 + H+
+	log_k	-9.344
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8004901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Ba+2 + NH4+ = BaNH3+2 + H+
+	log_k	-9.444
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1004901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Tl+ + NO2- = TlNO2
+	log_k	0.83
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8704910
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + NO2- = AgNO2
+	log_k	2.32
+	delta_h	-29	kJ
+	-gamma	0	0
+		#                  Id:	204911
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2NO2- = Ag(NO2)2-
+	log_k	2.51
+	delta_h	-46	kJ
+	-gamma	0	0
+		#                  Id:	204910
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + NO2- = CuNO2+
+	log_k	2.02
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2314911
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2NO2- = Cu(NO2)2
+	log_k	3.03
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2314912
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + NO2- = CoNO2+
+	log_k	0.848
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004911
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O
+	log_k	7.942
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7904921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Pb+2 + NO3- = PbNO3+
+	log_k	1.17
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	6004920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2NO3- = Pb(NO3)2
+	log_k	1.4
+	delta_h	-6.6	kJ
+	-gamma	0	0
+		#                  Id:	6004921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + NO3- = TlNO3
+	log_k	0.33
+	delta_h	-2	kJ
+	-gamma	0	0
+		#                  Id:	8704920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
+	log_k	7.0073
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8714920
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Cd+2 + NO3- = CdNO3+
+	log_k	0.5
+	delta_h	-21	kJ
+	-gamma	0	0
+		#                  Id:	1604920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2NO3- = Cd(NO3)2
+	log_k	0.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1604921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O
+	log_k	5.7613
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3614920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O
+	log_k	5.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3614921
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Cu+2 + NO3- = CuNO3+
+	log_k	0.5
+	delta_h	-4.1	kJ
+	-gamma	0	0
+		#                  Id:	2314921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2NO3- = Cu(NO3)2
+	log_k	-0.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2314922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + NO3- = ZnNO3+
+	log_k	0.4
+	delta_h	-4.6	kJ
+	-gamma	0	0
+		#                  Id:	9504921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2NO3- = Zn(NO3)2
+	log_k	-0.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9504922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ag+ + NO3- = AgNO3
+	log_k	-0.1
+	delta_h	22.6	kJ
+	-gamma	0	0
+		#                  Id:	204920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + NO3- = NiNO3+
+	log_k	0.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5404921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + NO3- = CoNO3+
+	log_k	0.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2NO3- = Co(NO3)2
+	log_k	0.5085
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2004922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Fe+3 + NO3- = FeNO3+2
+	log_k	1
+	delta_h	-37	kJ
+	-gamma	0	0
+		#                  Id:	2814921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + NO3- = MnNO3+
+	log_k	0.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4704921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + 2NO3- = Mn(NO3)2
+	log_k	0.6
+	delta_h	-1.6569	kJ
+	-gamma	0	0
+		#                  Id:	4704920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
+	log_k	8.2094
+	delta_h	-65.4378	kJ
+	-gamma	0	0
+		#                  Id:	2114920
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + NO3- = UO2NO3+
+	log_k	0.3
+	delta_h	-12	kJ
+	-gamma	0	0
+		#                  Id:	8934921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+VO2+ + NO3- = VO2NO3
+	log_k	-0.296
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9034920
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 20.0
+Ca+2 + NO3- = CaNO3+
+	log_k	0.5
+	delta_h	-5.4	kJ
+	-gamma	0	0
+		#                  Id:	1504921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + NO3- = SrNO3+
+	log_k	0.6
+	delta_h	-10	kJ
+	-gamma	0	0
+		#                  Id:	8004921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + NO3- = BaNO3+
+	log_k	0.7
+	delta_h	-13	kJ
+	-gamma	0	0
+		#                  Id:	1004921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H+ + Cyanide- = HCyanide
+	log_k	9.21
+	delta_h	-43.63	kJ
+	-gamma	0	0
+		#                  Id:	3301431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + Cyanide- = CdCyanide+
+	log_k	6.01
+	delta_h	-30	kJ
+	-gamma	0	0
+		#                  Id:	1601431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2Cyanide- = Cd(Cyanide)2
+	log_k	11.12
+	delta_h	-54.3	kJ
+	-gamma	0	0
+		#                  Id:	1601432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 3Cyanide- = Cd(Cyanide)3-
+	log_k	15.65
+	delta_h	-90.3	kJ
+	-gamma	0	0
+		#                  Id:	1601433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 4Cyanide- = Cd(Cyanide)4-2
+	log_k	17.92
+	delta_h	-112	kJ
+	-gamma	0	0
+		#                  Id:	1601434
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O
+	log_k	23.194
+	delta_h	-136.72	kJ
+	-gamma	0	0
+		#                  Id:	3611431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O
+	log_k	38.944
+	delta_h	154.28	kJ
+	-gamma	0	0
+		#                  Id:	3611432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O
+	log_k	42.504
+	delta_h	-262.72	kJ
+	-gamma	0	0
+		#                  Id:	3611433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O
+	log_k	45.164
+	delta_h	-288.72	kJ
+	-gamma	0	0
+		#                  Id:	3611434
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+ + 2Cyanide- = Cu(Cyanide)2-
+	log_k	21.9145
+	delta_h	-121	kJ
+	-gamma	0	0
+		#                  Id:	2301432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Cu+ + 3Cyanide- = Cu(Cyanide)3-2
+	log_k	27.2145
+	delta_h	-167.4	kJ
+	-gamma	0	0
+		#                  Id:	2301433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+ + 4Cyanide- = Cu(Cyanide)4-3
+	log_k	28.7145
+	delta_h	-214.2	kJ
+	-gamma	0	0
+		#                  Id:	2301431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2Cyanide- = Ag(Cyanide)2-
+	log_k	20.48
+	delta_h	-137	kJ
+	-gamma	0	0
+		#                  Id:	201432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 3Cyanide- = Ag(Cyanide)3-2
+	log_k	21.7
+	delta_h	-140	kJ
+	-gamma	0	0
+		#                  Id:	201433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+
+	log_k	-0.777
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	201431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 4Cyanide- = Ni(Cyanide)4-2
+	log_k	30.2
+	delta_h	-180	kJ
+	-gamma	0	0
+		#                  Id:	5401431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4-
+	log_k	36.0289
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4
+	log_k	40.7434
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+
+	log_k	43.3434
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401434
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 3Cyanide- = Co(Cyanide)3-
+	log_k	14.312
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2001431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 1.00 25.0
+Co+2 + 5Cyanide- = Co(Cyanide)5-3
+	log_k	23
+	delta_h	-257	kJ
+	-gamma	0	0
+		#                  Id:	2001432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 1.00 25.0
+Fe+2 + 6Cyanide- = Fe(Cyanide)6-4
+	log_k	35.4
+	delta_h	-358	kJ
+	-gamma	0	0
+		#                  Id:	2801431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3
+	log_k	39.71
+	delta_h	-356	kJ
+	-gamma	0	0
+		#                  Id:	2801432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2
+	log_k	42.11
+	delta_h	-352	kJ
+	-gamma	0	0
+		#                  Id:	2801433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 6Cyanide- = Fe(Cyanide)6-3
+	log_k	43.6
+	delta_h	-293	kJ
+	-gamma	0	0
+		#                  Id:	2811431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+2Fe+3 + 6Cyanide- = Fe2(Cyanide)6
+	log_k	47.6355
+	delta_h	-218	kJ
+	-gamma	0	0
+		#                  Id:	2811432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O
+	log_k	53.54
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7901431
+		#        log K source:	Ba1987                        
+		#      Delta H source:	                              
+		#T and ionic strength:	 0.00 25.0
+NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
+	log_k	37.7
+	delta_h	-354	kJ
+	-gamma	0	0
+		#                  Id:	4901431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3
+	log_k	38.4
+	delta_h	-365.5	kJ
+	-gamma	0	0
+		#                  Id:	8701432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6-
+	log_k	46.39
+	delta_h	-290	kJ
+	-gamma	0	0
+		#                  Id:	4601431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2
+	log_k	39.21
+	delta_h	-346	kJ
+	-gamma	0	0
+		#                  Id:	4601432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6-
+	log_k	46.43
+	delta_h	-291	kJ
+	-gamma	0	0
+		#                  Id:	1501431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2
+	log_k	39.1
+	delta_h	-347	kJ
+	-gamma	0	0
+		#                  Id:	1501432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6
+	log_k	40.6
+	delta_h	-350.201	kJ
+	-gamma	0	0
+		#                  Id:	1501433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
+	log_k	46.45
+	delta_h	-292	kJ
+	-gamma	0	0
+		#                  Id:	8001431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2
+	log_k	39.1
+	delta_h	-350	kJ
+	-gamma	0	0
+		#                  Id:	8001432
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2
+	log_k	39.19
+	delta_h	-342	kJ
+	-gamma	0	0
+		#                  Id:	1001430
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
+	log_k	46.48
+	delta_h	-292	kJ
+	-gamma	0	0
+		#                  Id:	1001431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
+	log_k	37.6
+	delta_h	-354	kJ
+	-gamma	0	0
+		#                  Id:	5001431
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
+	log_k	37.75
+	delta_h	-353.9	kJ
+	-gamma	0	0
+		#                  Id:	4101433
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2
+	log_k	45.04
+	delta_h	-291	kJ
+	-gamma	0	0
+		#                  Id:	4101430
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H+ + PO4-3 = HPO4-2
+	log_k	12.375
+	delta_h	-15	kJ
+	-gamma	5	0
+		#                  Id:	3305800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+2H+ + PO4-3 = H2PO4-
+	log_k	19.573
+	delta_h	-18	kJ
+	-gamma	5.4	0
+		#                  Id:	3305801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+3H+ + PO4-3 = H3PO4
+	log_k	21.721
+	delta_h	-10.1	kJ
+	-gamma	0	0
+		#                  Id:	3305802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + H+ + PO4-3 = CoHPO4
+	log_k	15.4128
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2005800
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Fe+2 + 2H+ + PO4-3 = FeH2PO4+
+	log_k	22.273
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	2805800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Fe+2 + H+ + PO4-3 = FeHPO4
+	log_k	15.975
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2805801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + 2H+ + PO4-3 = FeH2PO4+2
+	log_k	23.8515
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	2815801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Fe+3 + H+ + PO4-3 = FeHPO4+
+	log_k	22.292
+	delta_h	-30.5432	kJ
+	-gamma	5.4	0
+		#                  Id:	2815800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
+	log_k	31.9068
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2115800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + PO4-3 + H+ = UHPO4+2
+	log_k	24.443
+	delta_h	31.38	kJ
+	-gamma	0	0
+		#                  Id:	8915800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 2PO4-3 + 2H+ = U(HPO4)2
+	log_k	46.833
+	delta_h	7.1128	kJ
+	-gamma	0	0
+		#                  Id:	8915801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
+	log_k	67.564
+	delta_h	-32.6352	kJ
+	-gamma	0	0
+		#                  Id:	8915802
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
+	log_k	88.483
+	delta_h	-110.876	kJ
+	-gamma	0	0
+		#                  Id:	8915803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + H+ + PO4-3 = UO2HPO4
+	log_k	19.655
+	delta_h	-8.7864	kJ
+	-gamma	0	0
+		#                  Id:	8935800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
+	log_k	42.988
+	delta_h	-47.6934	kJ
+	-gamma	0	0
+		#                  Id:	8935801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + 2H+ + PO4-3 = UO2H2PO4+
+	log_k	22.833
+	delta_h	-15.4808	kJ
+	-gamma	0	0
+		#                  Id:	8935802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
+	log_k	44.7
+	delta_h	-69.036	kJ
+	-gamma	0	0
+		#                  Id:	8935803
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
+	log_k	66.245
+	delta_h	-119.662	kJ
+	-gamma	0	0
+		#                  Id:	8935804
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+UO2+2 + PO4-3 = UO2PO4-
+	log_k	13.25
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8935805
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mg+2 + PO4-3 = MgPO4-
+	log_k	4.654
+	delta_h	12.9704	kJ
+	-gamma	5.4	0
+		#                  Id:	4605800
+		#        log K source:	SCD3.02 (1993 GMa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.20 25.0
+Mg+2 + 2H+ + PO4-3 = MgH2PO4+
+	log_k	21.2561
+	delta_h	-4.6861	kJ
+	-gamma	5.4	0
+		#                  Id:	4605801
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 37.0
+Mg+2 + H+ + PO4-3 = MgHPO4
+	log_k	15.175
+	delta_h	-3	kJ
+	-gamma	0	0
+		#                  Id:	4605802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + H+ + PO4-3 = CaHPO4
+	log_k	15.035
+	delta_h	-3	kJ
+	-gamma	0	0
+		#                  Id:	1505800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + PO4-3 = CaPO4-
+	log_k	6.46
+	delta_h	12.9704	kJ
+	-gamma	5.4	0
+		#                  Id:	1505801
+		#        log K source:	SCD3.02 (1993 GMa)            
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + 2H+ + PO4-3 = CaH2PO4+
+	log_k	20.923
+	delta_h	-6	kJ
+	-gamma	5.4	0
+		#                  Id:	1505802
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + H+ + PO4-3 = SrHPO4
+	log_k	14.8728
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8005800
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + 2H+ + PO4-3 = SrH2PO4+
+	log_k	20.4019
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8005801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+Na+ + H+ + PO4-3 = NaHPO4-
+	log_k	13.445
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	5005800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+K+ + H+ + PO4-3 = KHPO4-
+	log_k	13.255
+	delta_h	0	kJ
+	-gamma	5.4	0
+		#                  Id:	4105800
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+H3AsO3 = AsO3-3 + 3H+
+	log_k	-34.744
+	delta_h	84.726	kJ
+	-gamma	0	0
+		#                  Id:	3300602
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H3AsO3 = HAsO3-2 + 2H+
+	log_k	-21.33
+	delta_h	59.4086	kJ
+	-gamma	0	0
+		#                  Id:	3300601
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H3AsO3 = H2AsO3- + H+
+	log_k	-9.29
+	delta_h	27.41	kJ
+	-gamma	0	0
+		#                  Id:	3300600
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.00 25.0
+H3AsO3 + H+ = H4AsO3+
+	log_k	-0.305
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3300603
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+H3AsO4 = AsO4-3 + 3H+
+	log_k	-20.7
+	delta_h	12.9	kJ
+	-gamma	0	0
+		#                  Id:	3300613
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H3AsO4 = HAsO4-2 + 2H+
+	log_k	-9.2
+	delta_h	-4.1	kJ
+	-gamma	0	0
+		#                  Id:	3300612
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H3AsO4 = H2AsO4- + H+
+	log_k	-2.24
+	delta_h	-7.1	kJ
+	-gamma	0	0
+		#                  Id:	3300611
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sb(OH)3 + H2O = Sb(OH)4- + H+
+	log_k	-12.0429
+	delta_h	69.8519	kJ
+	-gamma	0	0
+		#                  Id:	7400020
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)3 + H+ = Sb(OH)2+ + H2O
+	log_k	1.3853
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7403302
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)3 = HSbO2 + H2O
+	log_k	-0.0105
+	delta_h	-0.13	kJ
+	-gamma	0	0
+		#                  Id:	7400021
+		#        log K source:	NIST2.1.1                     
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	          
+Sb(OH)3 = SbO2- + H2O + H+
+	log_k	-11.8011
+	delta_h	70.1866	kJ
+	-gamma	0	0
+		#                  Id:	7403301
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)3 + H+ = SbO+ + 2H2O
+	log_k	0.9228
+	delta_h	8.2425	kJ
+	-gamma	0	0
+		#                  Id:	7403300
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)6- = SbO3- + 3H2O
+	log_k	2.9319
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7410021
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+Sb(OH)6- + 2H+ = SbO2+ + 4H2O
+	log_k	2.3895
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7413300
+		#        log K source:	PNL89                         
+		#      Delta H source:	PNL89                         
+		#T and ionic strength:	          
+H+ + CO3-2 = HCO3-
+	log_k	10.329
+	delta_h	-14.6	kJ
+	-gamma	5.4	0
+		#                  Id:	3301400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+2H+ + CO3-2 = H2CO3
+	log_k	16.681
+	delta_h	-23.76	kJ
+	-gamma	0	0
+		#                  Id:	3301401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2CO3-2 = Pb(CO3)2-2
+	log_k	9.938
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6001400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Pb+2 + CO3-2 = PbCO3
+	log_k	6.478
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6001401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Pb+2 + CO3-2 + H+ = PbHCO3+
+	log_k	13.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6001402
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+Zn+2 + CO3-2 = ZnCO3
+	log_k	4.76
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9501401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + H+ + CO3-2 = ZnHCO3+
+	log_k	11.829
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9501400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O
+	log_k	18.272
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O
+	log_k	21.772
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611402
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O
+	log_k	22.542
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3611403
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Cd+2 + CO3-2 = CdCO3
+	log_k	4.3578
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1601401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+Cd+2 + H+ + CO3-2 = CdHCO3+
+	log_k	10.6863
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1601400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Cd+2 + 2CO3-2 = Cd(CO3)2-2
+	log_k	7.2278
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1601403
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+Cu+2 + CO3-2 = CuCO3
+	log_k	6.77
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2311400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + H+ + CO3-2 = CuHCO3+
+	log_k	12.129
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2311402
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2CO3-2 = Cu(CO3)2-2
+	log_k	10.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2311401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + CO3-2 = NiCO3
+	log_k	4.5718
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.70 25.0
+Ni+2 + H+ + CO3-2 = NiHCO3+
+	log_k	12.4199
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5401400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.70 25.0
+Co+2 + CO3-2 = CoCO3
+	log_k	4.228
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2001400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+Co+2 + H+ + CO3-2 = CoHCO3+
+	log_k	12.2199
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2001401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.70 25.0
+Fe+2 + H+ + CO3-2 = FeHCO3+
+	log_k	11.429
+	delta_h	0	kJ
+	-gamma	6	0
+		#                  Id:	2801400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mn+2 + H+ + CO3-2 = MnHCO3+
+	log_k	11.629
+	delta_h	-10.6	kJ
+	-gamma	5	0
+		#                  Id:	4701400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + CO3-2 = UO2CO3
+	log_k	9.6
+	delta_h	4	kJ
+	-gamma	0	0
+		#                  Id:	8931400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 2CO3-2 = UO2(CO3)2-2
+	log_k	16.9
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	8931401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + 3CO3-2 = UO2(CO3)3-4
+	log_k	21.6
+	delta_h	-40	kJ
+	-gamma	0	0
+		#                  Id:	8931402
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Be+2 + CO3-2 = BeCO3
+	log_k	6.2546
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1101401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 3.00 25.0
+Mg+2 + CO3-2 = MgCO3
+	log_k	2.92
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	4601400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Mg+2 + H+ + CO3-2 = MgHCO3+
+	log_k	11.339
+	delta_h	-10.6	kJ
+	-gamma	4	0
+		#                  Id:	4601401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + H+ + CO3-2 = CaHCO3+
+	log_k	11.599
+	delta_h	5.4	kJ
+	-gamma	6	0
+		#                  Id:	1501400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+CO3-2 + Ca+2 = CaCO3
+	log_k	3.2
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	1501401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + CO3-2 = SrCO3
+	log_k	2.81
+	delta_h	20	kJ
+	-gamma	0	0
+		#                  Id:	8001401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + H+ + CO3-2 = SrHCO3+
+	log_k	11.539
+	delta_h	10.4	kJ
+	-gamma	6	0
+		#                  Id:	8001400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + CO3-2 = BaCO3
+	log_k	2.71
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	1001401
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + H+ + CO3-2 = BaHCO3+
+	log_k	11.309
+	delta_h	10.4	kJ
+	-gamma	6	0
+		#                  Id:	1001400
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Na+ + CO3-2 = NaCO3-
+	log_k	1.27
+	delta_h	-20.35	kJ
+	-gamma	5.4	0
+		#                  Id:	5001400
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.00 25.0
+Na+ + H+ + CO3-2 = NaHCO3
+	log_k	10.079
+	delta_h	-28.3301	kJ
+	-gamma	0	0
+		#                  Id:	5001401
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST2.1.1                     
+		#T and ionic strength:	 0.00 25.0
+H4SiO4 = H2SiO4-2 + 2H+
+	log_k	-23.04
+	delta_h	61	kJ
+	-gamma	5.4	0
+		#                  Id:	3307701
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+H4SiO4 = H3SiO4- + H+
+	log_k	-9.84
+	delta_h	20	kJ
+	-gamma	4	0
+		#                  Id:	3307700
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
+	log_k	-1.9111
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8937700
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 25.0
+H3BO3 = H2BO3- + H+
+	log_k	-9.236
+	delta_h	13	kJ
+	-gamma	2.5	0
+		#                  Id:	3300900
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+2H3BO3 = H5(BO3)2- + H+
+	log_k	-9.306
+	delta_h	8.4	kJ
+	-gamma	2.5	0
+		#                  Id:	3300901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+3H3BO3 = H8(BO3)3- + H+
+	log_k	-7.306
+	delta_h	29.4	kJ
+	-gamma	2.5	0
+		#                  Id:	3300902
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + H3BO3 = AgH2BO3 + H+
+	log_k	-8.036
+	delta_h	0	kJ
+	-gamma	2.5	0
+		#                  Id:	200901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Mg+2 + H3BO3 = MgH2BO3+ + H+
+	log_k	-7.696
+	delta_h	13	kJ
+	-gamma	2.5	0
+		#                  Id:	4600901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + H3BO3 = CaH2BO3+ + H+
+	log_k	-7.476
+	delta_h	17	kJ
+	-gamma	2.5	0
+		#                  Id:	1500901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + H3BO3 = SrH2BO3+ + H+
+	log_k	-7.686
+	delta_h	17	kJ
+	-gamma	2.5	0
+		#                  Id:	8000901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + H3BO3 = BaH2BO3+ + H+
+	log_k	-7.746
+	delta_h	17	kJ
+	-gamma	2.5	0
+		#                  Id:	1000901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Na+ + H3BO3 = NaH2BO3 + H+
+	log_k	-9.036
+	delta_h	0	kJ
+	-gamma	2.5	0
+		#                  Id:	5000901
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+CrO4-2 + H+ = HCrO4-
+	log_k	6.51
+	delta_h	2	kJ
+	-gamma	0	0
+		#                  Id:	2123300
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+CrO4-2 + 2H+ = H2CrO4
+	log_k	6.4188
+	delta_h	39	kJ
+	-gamma	0	0
+		#                  Id:	2123301
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 20.0
+2CrO4-2 + 2H+ = Cr2O7-2 + H2O
+	log_k	14.56
+	delta_h	-15	kJ
+	-gamma	0	0
+		#                  Id:	2123302
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
+	log_k	7.3086
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2121800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
+	log_k	8.9937
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2127320
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
+	log_k	29.3634
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2125800
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
+	log_k	26.6806
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2125801
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+CrO4-2 + Na+ = NaCrO4-
+	log_k	0.6963
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5002120
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+K+ + CrO4-2 = KCrO4-
+	log_k	0.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4102120
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 18.0
+MoO4-2 + H+ = HMoO4-
+	log_k	4.2988
+	delta_h	20	kJ
+	-gamma	0	0
+		#                  Id:	3304801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 20.0
+MoO4-2 + 2H+ = H2MoO4
+	log_k	8.1636
+	delta_h	-26	kJ
+	-gamma	0	0
+		#                  Id:	3304802
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 20.0
+7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O
+	log_k	52.99
+	delta_h	-228	kJ
+	-gamma	0	0
+		#                  Id:	3304803
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O
+	log_k	59.3768
+	delta_h	-218	kJ
+	-gamma	0	0
+		#                  Id:	3304804
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O
+	log_k	64.159
+	delta_h	-215	kJ
+	-gamma	0	0
+		#                  Id:	3304805
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O
+	log_k	67.405
+	delta_h	-217	kJ
+	-gamma	0	0
+		#                  Id:	3304806
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 1.00 25.0
+6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O
+	log_k	54.9925
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	304801
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.50 25.0
+MoO4-2 + 2Ag+ = Ag2MoO4
+	log_k	-0.4219
+	delta_h	-1.18	kJ
+	-gamma	0	0
+		#                  Id:	204801
+		#        log K source:	Bard85                        
+		#      Delta H source:	Bard85                        
+		#T and ionic strength:	          
+VO2+ + 2H2O = VO4-3 + 4H+
+	log_k	-30.2
+	delta_h	-25	kJ
+	-gamma	0	0
+		#                  Id:	9033303
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+VO2+ + 2H2O = HVO4-2 + 3H+
+	log_k	-15.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9033302
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+VO2+ + 2H2O = H2VO4- + 2H+
+	log_k	-7.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9033301
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+VO2+ + 2H2O = H3VO4 + H+
+	log_k	-3.3
+	delta_h	44.4759	kJ
+	-gamma	0	0
+		#                  Id:	9033300
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+2VO2+ + 3H2O = V2O7-4 + 6H+
+	log_k	-31.24
+	delta_h	-28	kJ
+	-gamma	0	0
+		#                  Id:	9030020
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+2VO2+ + 3H2O = HV2O7-3 + 5H+
+	log_k	-20.67
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9030021
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+2VO2+ + 3H2O = H3V2O7- + 3H+
+	log_k	-3.79
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9030022
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+3VO2+ + 3H2O = V3O9-3 + 6H+
+	log_k	-15.88
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9030023
+		#        log K source:	MTQ3.11                       
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	          
+4VO2+ + 4H2O = V4O12-4 + 8H+
+	log_k	-20.56
+	delta_h	-87	kJ
+	-gamma	0	0
+		#                  Id:	9030024
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	NIST46.3                      
+		#T and ionic strength:	 0.00 25.0
+10VO2+ + 8H2O = V10O28-6 + 16H+
+	log_k	-24.0943
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9030025
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+10VO2+ + 8H2O = HV10O28-5 + 15H+
+	log_k	-15.9076
+	delta_h	90.0397	kJ
+	-gamma	0	0
+		#                  Id:	9030026
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.10 20.0
+10VO2+ + 8H2O = H2V10O28-4 + 14H+
+	log_k	-10.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9030027
+		#        log K source:	NIST46.3                      
+		#      Delta H source:	MTQ3.11                       
+		#T and ionic strength:	 0.00 25.0
+Benzoate- + H+ = H(Benzoate)
+	log_k	4.202
+	delta_h	-0.4602	kJ
+	-gamma	0	0
+		#                  Id:	3309171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Pb+2 = Pb(Benzoate)+
+	log_k	2.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Al+3 = Al(Benzoate)+2
+	log_k	2.05
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+
+	log_k	-0.56
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309172
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Zn+2 = Zn(Benzoate)+
+	log_k	1.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509171
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Benzoate- + Cd+2 = Cd(Benzoate)+
+	log_k	1.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2Benzoate- + Cd+2 = Cd(Benzoate)2
+	log_k	1.82
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609172
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Benzoate- + Cu+2 = Cu(Benzoate)+
+	log_k	2.19
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Ag+ = Ag(Benzoate)
+	log_k	0.91
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Ni+2 = Ni(Benzoate)+
+	log_k	1.86
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409171
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Co+2 + Benzoate- = Co(Benzoate)+
+	log_k	1.0537
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	2009171
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 30.0
+Benzoate- + Mn+2 = Mn(Benzoate)+
+	log_k	2.06
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709171
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Benzoate- + Mg+2 = Mg(Benzoate)+
+	log_k	1.26
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609171
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Benzoate- + Ca+2 = Ca(Benzoate)+
+	log_k	1.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509171
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Phenylacetate- + H+ = H(Phenylacetate)
+	log_k	4.31
+	delta_h	2.1757	kJ
+	-gamma	0	0
+		#                  Id:	3309181
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Phenylacetate- + Zn+2 = Zn(Phenylacetate)+
+	log_k	1.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509181
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Phenylacetate- + Cu+2 = Cu(Phenylacetate)+
+	log_k	1.97
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319181
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Phenylacetate- = Co(Phenylacetate)+
+	log_k	0.591
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009181
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Co+2 + 2Phenylacetate- = Co(Phenylacetate)2
+	log_k	0.4765
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009182
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Isophthalate-2 + H+ = H(Isophthalate)-
+	log_k	4.5
+	delta_h	1.6736	kJ
+	-gamma	0	0
+		#                  Id:	3309201
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + 2H+ = H2(Isophthalate)
+	log_k	8
+	delta_h	1.6736	kJ
+	-gamma	0	0
+		#                  Id:	3309202
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Pb+2 = Pb(Isophthalate)
+	log_k	2.99
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009201
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2
+	log_k	4.18
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009202
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+
+	log_k	6.69
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009203
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Cd+2 = Cd(Isophthalate)
+	log_k	2.15
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609201
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2
+	log_k	2.99
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609202
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+
+	log_k	5.73
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609203
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Ca+2 = Ca(Isophthalate)
+	log_k	2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509200
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Isophthalate-2 + Ba+2 = Ba(Isophthalate)
+	log_k	1.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009201
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Diethylamine = H(Diethylamine)+
+	log_k	10.933
+	delta_h	-53.1368	kJ
+	-gamma	0	0
+		#                  Id:	3309551
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Diethylamine = Zn(Diethylamine)+2
+	log_k	2.74
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509551
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2
+	log_k	5.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509552
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2
+	log_k	7.71
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509553
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2
+	log_k	9.84
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509554
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + Diethylamine = Cd(Diethylamine)+2
+	log_k	2.73
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609551
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2
+	log_k	4.86
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609552
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2
+	log_k	6.37
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609553
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2
+	log_k	7.32
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609554
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ag+ + Diethylamine = Ag(Diethylamine)+
+	log_k	2.98
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209551
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Diethylamine = Ag(Diethylamine)2+
+	log_k	6.38
+	delta_h	-44.7688	kJ
+	-gamma	0	0
+		#                  Id:	209552
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Diethylamine = Ni(Diethylamine)+2
+	log_k	2.78
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409551
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2
+	log_k	4.97
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409552
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2
+	log_k	6.72
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409553
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2
+	log_k	7.93
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409554
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2
+	log_k	8.87
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409555
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Butylamine = H(Butylamine)+
+	log_k	10.64
+	delta_h	-58.2831	kJ
+	-gamma	0	0
+		#                  Id:	3309561
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O
+	log_k	14.84
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619561
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O
+	log_k	24.24
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619562
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O
+	log_k	25.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619563
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O
+	log_k	26.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619564
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Butylamine = Ag(Butylamine)+
+	log_k	3.42
+	delta_h	-16.736	kJ
+	-gamma	0	0
+		#                  Id:	209561
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Butylamine = Ag(Butylamine)2+
+	log_k	7.47
+	delta_h	-52.7184	kJ
+	-gamma	0	0
+		#                  Id:	209562
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Methylamine = H(Methylamine)+
+	log_k	10.64
+	delta_h	-55.2288	kJ
+	-gamma	0	0
+		#                  Id:	3309581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Methylamine = Cd(Methylamine)+2
+	log_k	2.75
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Methylamine = Cd(Methylamine)2+2
+	log_k	4.81
+	delta_h	-29.288	kJ
+	-gamma	0	0
+		#                  Id:	1609582
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 3Methylamine = Cd(Methylamine)3+2
+	log_k	5.94
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609583
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 4Methylamine = Cd(Methylamine)4+2
+	log_k	6.55
+	delta_h	-58.576	kJ
+	-gamma	0	0
+		#                  Id:	1609584
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O
+	log_k	14.76
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O
+	log_k	23.96
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619582
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O
+	log_k	24.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619583
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O
+	log_k	24.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619584
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Methylamine = Cu(Methylamine)+2
+	log_k	4.11
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Methylamine = Cu(Methylamine)2+2
+	log_k	7.51
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319582
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 3Methylamine = Cu(Methylamine)3+2
+	log_k	10.21
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319583
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 4Methylamine = Cu(Methylamine)4+2
+	log_k	12.08
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319584
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Methylamine = Ag(Methylamine)+
+	log_k	3.07
+	delta_h	-12.552	kJ
+	-gamma	0	0
+		#                  Id:	209581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Methylamine = Ag(Methylamine)2+
+	log_k	6.89
+	delta_h	-48.9528	kJ
+	-gamma	0	0
+		#                  Id:	209582
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Methylamine = Ni(Methylamine)+2
+	log_k	2.23
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409581
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Dimethylamine = H(Dimethylamine)+
+	log_k	10.774
+	delta_h	-50.208	kJ
+	-gamma	0	0
+		#                  Id:	3309591
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+
+	log_k	5.37
+	delta_h	-40.5848	kJ
+	-gamma	0	0
+		#                  Id:	209591
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Dimethylamine = Ni(Dimethylamine)+2
+	log_k	1.47
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409591
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Hexylamine = H(Hexylamine)+
+	log_k	10.63
+	delta_h	-58.576	kJ
+	-gamma	0	0
+		#                  Id:	3309611
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Hexylamine = Ag(Hexylamine)+
+	log_k	3.54
+	delta_h	-25.104	kJ
+	-gamma	0	0
+		#                  Id:	209611
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Hexylamine = Ag(Hexylamine)2+
+	log_k	7.55
+	delta_h	-53.1368	kJ
+	-gamma	0	0
+		#                  Id:	209612
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Ethylenediamine = H(Ethylenediamine)+
+	log_k	9.928
+	delta_h	-49.7896	kJ
+	-gamma	0	0
+		#                  Id:	3309631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Ethylenediamine = H2(Ethylenediamine)+2
+	log_k	16.776
+	delta_h	-95.3952	kJ
+	-gamma	0	0
+		#                  Id:	3309632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2
+	log_k	5.04
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2
+	log_k	8.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2
+	log_k	5.66
+	delta_h	-29.288	kJ
+	-gamma	0	0
+		#                  Id:	9509631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2
+	log_k	10.6
+	delta_h	-48.116	kJ
+	-gamma	0	0
+		#                  Id:	9509632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2
+	log_k	13.9
+	delta_h	-71.5464	kJ
+	-gamma	0	0
+		#                  Id:	9509633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2
+	log_k	5.41
+	delta_h	-28.4512	kJ
+	-gamma	0	0
+		#                  Id:	1609631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2
+	log_k	9.9
+	delta_h	-55.6472	kJ
+	-gamma	0	0
+		#                  Id:	1609632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2
+	log_k	11.6
+	delta_h	-82.4248	kJ
+	-gamma	0	0
+		#                  Id:	1609633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O
+	log_k	20.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O
+	log_k	29.3
+	delta_h	-173.218	kJ
+	-gamma	0	0
+		#                  Id:	3619632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O
+	log_k	34.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+
+	log_k	11.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2
+	log_k	10.5
+	delta_h	-52.7184	kJ
+	-gamma	0	0
+		#                  Id:	2319631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2
+	log_k	19.6
+	delta_h	-105.437	kJ
+	-gamma	0	0
+		#                  Id:	2319632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Ethylenediamine = Ag(Ethylenediamine)+
+	log_k	4.6
+	delta_h	-48.9528	kJ
+	-gamma	0	0
+		#                  Id:	209631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+
+	log_k	7.5
+	delta_h	-52.3	kJ
+	-gamma	0	0
+		#                  Id:	209632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2
+	log_k	11.99
+	delta_h	-75.312	kJ
+	-gamma	0	0
+		#                  Id:	209633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2
+	log_k	6.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209634
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2
+	log_k	12.7
+	delta_h	-97.0688	kJ
+	-gamma	0	0
+		#                  Id:	209635
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3
+	log_k	24
+	delta_h	-150.206	kJ
+	-gamma	0	0
+		#                  Id:	209636
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2
+	log_k	8.4
+	delta_h	-47.6976	kJ
+	-gamma	0	0
+		#                  Id:	209637
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2
+	log_k	7.32
+	delta_h	-37.656	kJ
+	-gamma	0	0
+		#                  Id:	5409631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2
+	log_k	13.5
+	delta_h	-76.5672	kJ
+	-gamma	0	0
+		#                  Id:	5409632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2
+	log_k	17.6
+	delta_h	-117.152	kJ
+	-gamma	0	0
+		#                  Id:	5409633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Ethylenediamine = Co(Ethylenediamine)+2
+	log_k	5.5
+	delta_h	-28	kJ
+	-gamma	0	0
+		#                  Id:	2009631
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2
+	log_k	10.1
+	delta_h	-58.5	kJ
+	-gamma	0	0
+		#                  Id:	2009632
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2
+	log_k	13.2
+	delta_h	-92.8	kJ
+	-gamma	0	0
+		#                  Id:	2009633
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3
+	log_k	34.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2019631
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3
+	log_k	48.69
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2019632
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.50 30.0
+Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2
+	log_k	4.26
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2
+	log_k	7.73
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2
+	log_k	10.17
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809633
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2
+	log_k	2.74
+	delta_h	-11.7152	kJ
+	-gamma	0	0
+		#                  Id:	4709631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2
+	log_k	4.8
+	delta_h	-25.104	kJ
+	-gamma	0	0
+		#                  Id:	4709632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O
+	log_k	22.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O
+	log_k	29
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119632
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2
+	log_k	0.37
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2
+	log_k	0.11
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509631
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Propylamine = H(Propylamine)+
+	log_k	10.566
+	delta_h	-57.53	kJ
+	-gamma	0	0
+		#                  Id:	3309641
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Propylamine = Zn(Propylamine)+2
+	log_k	2.42
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509641
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 2Propylamine = Zn(Propylamine)2+2
+	log_k	4.85
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509642
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 3Propylamine = Zn(Propylamine)3+2
+	log_k	7.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509643
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 4Propylamine = Zn(Propylamine)4+2
+	log_k	9.49
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509644
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + Propylamine = Cd(Propylamine)+2
+	log_k	2.62
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609641
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 2Propylamine = Cd(Propylamine)2+2
+	log_k	4.64
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609642
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 3Propylamine = Cd(Propylamine)3+2
+	log_k	6.03
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609643
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ag+ + Propylamine = Ag(Propylamine)+
+	log_k	3.45
+	delta_h	-12.552	kJ
+	-gamma	0	0
+		#                  Id:	209641
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Propylamine = Ag(Propylamine)2+
+	log_k	7.44
+	delta_h	-53.1368	kJ
+	-gamma	0	0
+		#                  Id:	209642
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Propylamine = Ni(Propylamine)+2
+	log_k	2.81
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409641
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 2Propylamine = Ni(Propylamine)2+2
+	log_k	5.02
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409642
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 3Propylamine = Ni(Propylamine)3+2
+	log_k	6.79
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409643
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 4Propylamine = Ni(Propylamine)4+2
+	log_k	8.31
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409644
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Isopropylamine = H(Isopropylamine)+
+	log_k	10.67
+	delta_h	-58.3668	kJ
+	-gamma	0	0
+		#                  Id:	3309651
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Isopropylamine = Zn(Isopropylamine)+2
+	log_k	2.37
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509651
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2
+	log_k	4.67
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509652
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2
+	log_k	7.14
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509653
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2
+	log_k	9.44
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509654
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + Isopropylamine = Cd(Isopropylamine)+2
+	log_k	2.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609651
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2
+	log_k	4.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609652
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2
+	log_k	6.07
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609653
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2
+	log_k	6.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609654
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O
+	log_k	14.85
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619651
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O
+	log_k	24.37
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619652
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Isopropylamine = Ag(Isopropylamine)+
+	log_k	3.67
+	delta_h	-23.8488	kJ
+	-gamma	0	0
+		#                  Id:	209651
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+
+	log_k	7.77
+	delta_h	-59.8312	kJ
+	-gamma	0	0
+		#                  Id:	209652
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Isopropylamine = Ni(Isopropylamine)+2
+	log_k	2.71
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409651
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2
+	log_k	4.86
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409652
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2
+	log_k	6.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409653
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2
+	log_k	7.83
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409654
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2
+	log_k	8.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409655
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Trimethylamine = H(Trimethylamine)+
+	log_k	9.8
+	delta_h	-36.8192	kJ
+	-gamma	0	0
+		#                  Id:	3309661
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Trimethylamine = Ag(Trimethylamine)+
+	log_k	1.701
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209661
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Citrate-3 = H(Citrate)-2
+	log_k	6.396
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	3309671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Citrate-3 = H2(Citrate)-
+	log_k	11.157
+	delta_h	1.297	kJ
+	-gamma	0	0
+		#                  Id:	3309672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+3H+ + Citrate-3 = H3(Citrate)
+	log_k	14.285
+	delta_h	-2.7614	kJ
+	-gamma	0	0
+		#                  Id:	3309673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Citrate-3 = Pb(Citrate)-
+	log_k	7.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009671
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Pb+2 + 2Citrate-3 = Pb(Citrate)2-4
+	log_k	6.53
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Citrate-3 = Al(Citrate)
+	log_k	9.97
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + 2Citrate-3 = Al(Citrate)2-3
+	log_k	14.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Citrate-3 + H+ = AlH(Citrate)+
+	log_k	12.85
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Citrate-3 = Tl(Citrate)-2
+	log_k	1.48
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Citrate-3 = Zn(Citrate)-
+	log_k	6.21
+	delta_h	8.368	kJ
+	-gamma	0	0
+		#                  Id:	9509671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Citrate-3 = Zn(Citrate)2-4
+	log_k	7.4
+	delta_h	25.104	kJ
+	-gamma	0	0
+		#                  Id:	9509672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Citrate-3 + H+ = ZnH(Citrate)
+	log_k	10.2
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	9509673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+
+	log_k	12.84
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509674
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + Citrate-3 = Cd(Citrate)-
+	log_k	4.98
+	delta_h	8.368	kJ
+	-gamma	0	0
+		#                  Id:	1609671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Citrate-3 + H+ = CdH(Citrate)
+	log_k	9.44
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	1609672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+
+	log_k	12.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Citrate-3 = Cd(Citrate)2-4
+	log_k	5.9
+	delta_h	20.92	kJ
+	-gamma	0	0
+		#                  Id:	1609674
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O
+	log_k	18.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Citrate-3 = Cu(Citrate)-
+	log_k	7.57
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319671
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cu+2 + 2Citrate-3 = Cu(Citrate)2-4
+	log_k	8.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319672
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cu+2 + Citrate-3 + H+ = CuH(Citrate)
+	log_k	10.87
+	delta_h	11.7152	kJ
+	-gamma	0	0
+		#                  Id:	2319673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+
+	log_k	13.23
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319674
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2
+	log_k	16.9
+	delta_h	41.84	kJ
+	-gamma	0	0
+		#                  Id:	2319675
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Citrate-3 = Ni(Citrate)-
+	log_k	6.59
+	delta_h	16.736	kJ
+	-gamma	0	0
+		#                  Id:	5409671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Citrate-3 + H+ = NiH(Citrate)
+	log_k	10.5
+	delta_h	15.8992	kJ
+	-gamma	0	0
+		#                  Id:	5409672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+
+	log_k	13.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Citrate-3 = Ni(Citrate)2-4
+	log_k	8.77
+	delta_h	12.552	kJ
+	-gamma	0	0
+		#                  Id:	5409674
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3
+	log_k	14.9
+	delta_h	32.6352	kJ
+	-gamma	0	0
+		#                  Id:	5409675
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Citrate-3 = Co(Citrate)-
+	log_k	6.1867
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009671
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + H+ + Citrate-3 = CoHCitrate
+	log_k	10.4438
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009672
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 2H+ + Citrate-3 = CoH2Citrate+
+	log_k	12.7859
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009673
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Fe+2 + Citrate-3 = Fe(Citrate)-
+	log_k	6.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + Citrate-3 + H+ = FeH(Citrate)
+	log_k	10.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Citrate-3 = Fe(Citrate)
+	log_k	13.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Citrate-3 + H+ = FeH(Citrate)+
+	log_k	14.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Citrate-3 = Mn(Citrate)-
+	log_k	4.28
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709671
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mn+2 + Citrate-3 + H+ = MnH(Citrate)
+	log_k	9.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Be+2 + Citrate-3 = Be(Citrate)-
+	log_k	5.534
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109671
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Be+2 + H+ + Citrate-3 = BeH(Citrate)
+	log_k	9.442
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109672
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Ca+2 + Citrate-3 = Ca(Citrate)-
+	log_k	4.87
+	delta_h	-8.368	kJ
+	-gamma	0	0
+		#                  Id:	1509671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Citrate-3 + H+ = CaH(Citrate)
+	log_k	9.26
+	delta_h	-0.8368	kJ
+	-gamma	0	0
+		#                  Id:	1509672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+
+	log_k	12.257
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509673
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mg+2 + Citrate-3 = Mg(Citrate)-
+	log_k	4.89
+	delta_h	8.368	kJ
+	-gamma	0	0
+		#                  Id:	4609671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Citrate-3 + H+ = MgH(Citrate)
+	log_k	8.91
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	4609672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+
+	log_k	12.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609673
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Sr+2 + Citrate-3 = Sr(Citrate)-
+	log_k	4.3367
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009671
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + H+ + Citrate-3 = SrH(Citrate)
+	log_k	8.9738
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009672
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+
+	log_k	12.4859
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009673
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Citrate-3 = Ba(Citrate)-
+	log_k	4.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ba+2 + Citrate-3 + H+ = BaH(Citrate)
+	log_k	8.74
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009672
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+
+	log_k	12.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009673
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Na+ + Citrate-3 = Na(Citrate)-2
+	log_k	1.03
+	delta_h	-2.8033	kJ
+	-gamma	0	0
+		#                  Id:	5009671
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+2Na+ + Citrate-3 = Na2(Citrate)-
+	log_k	1.5
+	delta_h	-5.1045	kJ
+	-gamma	0	0
+		#                  Id:	5009672
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Na+ + Citrate-3 + H+ = NaH(Citrate)-
+	log_k	6.45
+	delta_h	-3.5982	kJ
+	-gamma	0	0
+		#                  Id:	5009673
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+K+ + Citrate-3 = K(Citrate)-2
+	log_k	1.1
+	delta_h	5.4392	kJ
+	-gamma	0	0
+		#                  Id:	4109671
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Nta-3 = H(Nta)-2
+	log_k	10.278
+	delta_h	-18.828	kJ
+	-gamma	0	0
+		#                  Id:	3309681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Nta-3 = H2(Nta)-
+	log_k	13.22
+	delta_h	-17.9912	kJ
+	-gamma	0	0
+		#                  Id:	3309682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+3H+ + Nta-3 = H3(Nta)
+	log_k	15.22
+	delta_h	-16.3176	kJ
+	-gamma	0	0
+		#                  Id:	3309683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+4H+ + Nta-3 = H4(Nta)+
+	log_k	16.22
+	delta_h	-16.3176	kJ
+	-gamma	0	0
+		#                  Id:	3309684
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Nta-3 = Pb(Nta)-
+	log_k	12.7
+	delta_h	-15.8992	kJ
+	-gamma	0	0
+		#                  Id:	6009681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Nta-3 + H+ = PbH(Nta)
+	log_k	15.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Nta-3 = Al(Nta)
+	log_k	13.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Nta-3 + H+ = AlH(Nta)+
+	log_k	15.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+
+	log_k	8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Nta-3 = Tl(Nta)-2
+	log_k	5.39
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Nta-3 = Zn(Nta)-
+	log_k	11.95
+	delta_h	-3.7656	kJ
+	-gamma	0	0
+		#                  Id:	9509681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Nta-3 = Zn(Nta)2-4
+	log_k	14.88
+	delta_h	-15.0624	kJ
+	-gamma	0	0
+		#                  Id:	9509682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+
+	log_k	1.46
+	delta_h	46.4424	kJ
+	-gamma	0	0
+		#                  Id:	9509683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Nta-3 = Cd(Nta)-
+	log_k	11.07
+	delta_h	-16.736	kJ
+	-gamma	0	0
+		#                  Id:	1609681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Nta-3 = Cd(Nta)2-4
+	log_k	15.03
+	delta_h	-38.0744	kJ
+	-gamma	0	0
+		#                  Id:	1609682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+
+	log_k	-0.61
+	delta_h	29.288	kJ
+	-gamma	0	0
+		#                  Id:	1609683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O
+	log_k	21.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Nta-3 = Cu(Nta)-
+	log_k	14.4
+	delta_h	-7.9496	kJ
+	-gamma	0	0
+		#                  Id:	2319681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Nta-3 = Cu(Nta)2-4
+	log_k	18.1
+	delta_h	-37.2376	kJ
+	-gamma	0	0
+		#                  Id:	2319682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Nta-3 + H+ = CuH(Nta)
+	log_k	16.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+
+	log_k	4.8
+	delta_h	25.5224	kJ
+	-gamma	0	0
+		#                  Id:	2319684
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Nta-3 = Ag(Nta)-2
+	log_k	6
+	delta_h	-26.3592	kJ
+	-gamma	0	0
+		#                  Id:	209681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Nta-3 = Ni(Nta)-
+	log_k	12.79
+	delta_h	-10.0416	kJ
+	-gamma	0	0
+		#                  Id:	5409681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Nta-3 = Ni(Nta)2-4
+	log_k	16.96
+	delta_h	-32.6352	kJ
+	-gamma	0	0
+		#                  Id:	5409682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+
+	log_k	1.5
+	delta_h	15.0624	kJ
+	-gamma	0	0
+		#                  Id:	5409683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Nta-3 = Co(Nta)-
+	log_k	11.6667
+	delta_h	-0.4	kJ
+	-gamma	0	0
+		#                  Id:	2009681
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 2Nta-3 = Co(Nta)2-4
+	log_k	14.9734
+	delta_h	-20	kJ
+	-gamma	0	0
+		#                  Id:	2009682
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+
+	log_k	0.4378
+	delta_h	45.6	kJ
+	-gamma	0	0
+		#                  Id:	2009683
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Fe+2 + Nta-3 = Fe(Nta)-
+	log_k	10.19
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + 2Nta-3 = Fe(Nta)2-4
+	log_k	12.62
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + Nta-3 + H+ = FeH(Nta)
+	log_k	12.29
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+
+	log_k	-1.06
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809684
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Nta-3 = Fe(Nta)
+	log_k	17.8
+	delta_h	13.3888	kJ
+	-gamma	0	0
+		#                  Id:	2819681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + 2Nta-3 = Fe(Nta)2-3
+	log_k	25.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+
+	log_k	13.23
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819683
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Nta-3 = Mn(Nta)-
+	log_k	8.573
+	delta_h	5.8576	kJ
+	-gamma	0	0
+		#                  Id:	4709681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + 2Nta-3 = Mn(Nta)2-4
+	log_k	11.58
+	delta_h	-17.1544	kJ
+	-gamma	0	0
+		#                  Id:	4709682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O
+	log_k	21.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119681
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O
+	log_k	29.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119682
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O
+	log_k	19.5434
+	delta_h	-69	kJ
+	-gamma	0	0
+		#                  Id:	4809681
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O
+	log_k	23.3954
+	delta_h	-71	kJ
+	-gamma	0	0
+		#                  Id:	4809682
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 1.00 25.0
+MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O
+	log_k	25.3534
+	delta_h	-71	kJ
+	-gamma	0	0
+		#                  Id:	4809683
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 1.00 25.0
+Be+2 + Nta-3 = Be(Nta)-
+	log_k	9.0767
+	delta_h	25	kJ
+	-gamma	0	0
+		#                  Id:	1109681
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + Nta-3 = Mg(Nta)-
+	log_k	6.5
+	delta_h	17.9912	kJ
+	-gamma	0	0
+		#                  Id:	4609681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Nta-3 = Ca(Nta)-
+	log_k	7.608
+	delta_h	-5.6902	kJ
+	-gamma	0	0
+		#                  Id:	1509681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + 2Nta-3 = Ca(Nta)2-4
+	log_k	8.81
+	delta_h	-32.6352	kJ
+	-gamma	0	0
+		#                  Id:	1509682
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Nta-3 = Sr(Nta)-
+	log_k	6.2767
+	delta_h	-2.2	kJ
+	-gamma	0	0
+		#                  Id:	8009681
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Nta-3 = Ba(Nta)-
+	log_k	5.875
+	delta_h	-6.025	kJ
+	-gamma	0	0
+		#                  Id:	1009681
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Edta-4 = H(Edta)-3
+	log_k	10.948
+	delta_h	-23.4304	kJ
+	-gamma	0	0
+		#                  Id:	3309691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Edta-4 = H2(Edta)-2
+	log_k	17.221
+	delta_h	-41.0032	kJ
+	-gamma	0	0
+		#                  Id:	3309692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+3H+ + Edta-4 = H3(Edta)-
+	log_k	20.34
+	delta_h	-35.564	kJ
+	-gamma	0	0
+		#                  Id:	3309693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+4H+ + Edta-4 = H4(Edta)
+	log_k	22.5
+	delta_h	-34.3088	kJ
+	-gamma	0	0
+		#                  Id:	3309694
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+5H+ + Edta-4 = H5(Edta)+
+	log_k	24
+	delta_h	-32.2168	kJ
+	-gamma	0	0
+		#                  Id:	3309695
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O
+	log_k	27.026
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909691
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 20.0
+Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O
+	log_k	29.934
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909692
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 20.0
+Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O
+	log_k	31.638
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909693
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 20.0
+Pb+2 + Edta-4 = Pb(Edta)-2
+	log_k	19.8
+	delta_h	-54.8104	kJ
+	-gamma	0	0
+		#                  Id:	6009691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Edta-4 + H+ = PbH(Edta)-
+	log_k	23
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Edta-4 + 2H+ = PbH2(Edta)
+	log_k	24.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Edta-4 = Al(Edta)-
+	log_k	19.1
+	delta_h	52.7184	kJ
+	-gamma	0	0
+		#                  Id:	309690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Edta-4 + H+ = AlH(Edta)
+	log_k	21.8
+	delta_h	36.4008	kJ
+	-gamma	0	0
+		#                  Id:	309691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+
+	log_k	12.8
+	delta_h	73.6384	kJ
+	-gamma	0	0
+		#                  Id:	309692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Edta-4 = Tl(Edta)-3
+	log_k	7.27
+	delta_h	-43.5136	kJ
+	-gamma	0	0
+		#                  Id:	8709691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Edta-4 + H+ = TlH(Edta)-2
+	log_k	13.68
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Edta-4 = Zn(Edta)-2
+	log_k	18
+	delta_h	-19.2464	kJ
+	-gamma	0	0
+		#                  Id:	9509691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Edta-4 + H+ = ZnH(Edta)-
+	log_k	21.4
+	delta_h	-28.4512	kJ
+	-gamma	0	0
+		#                  Id:	9509692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+
+	log_k	5.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Edta-4 = Cd(Edta)-2
+	log_k	18.2
+	delta_h	-38.0744	kJ
+	-gamma	0	0
+		#                  Id:	1609691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Edta-4 + H+ = CdH(Edta)-
+	log_k	21.5
+	delta_h	-39.748	kJ
+	-gamma	0	0
+		#                  Id:	1609692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O
+	log_k	29.3
+	delta_h	-125.102	kJ
+	-gamma	0	0
+		#                  Id:	3619691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O
+	log_k	32.9
+	delta_h	-128.449	kJ
+	-gamma	0	0
+		#                  Id:	3619692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Edta-4 = Cu(Edta)-2
+	log_k	20.5
+	delta_h	-34.7272	kJ
+	-gamma	0	0
+		#                  Id:	2319691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Edta-4 + H+ = CuH(Edta)-
+	log_k	24
+	delta_h	-43.0952	kJ
+	-gamma	0	0
+		#                  Id:	2319692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Edta-4 + 2H+ = CuH2(Edta)
+	log_k	26.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+
+	log_k	8.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319694
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Edta-4 = Ag(Edta)-3
+	log_k	8.08
+	delta_h	-31.38	kJ
+	-gamma	0	0
+		#                  Id:	209691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Edta-4 + H+ = AgH(Edta)-2
+	log_k	15.21
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209693
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ni+2 + Edta-4 = Ni(Edta)-2
+	log_k	20.1
+	delta_h	-30.9616	kJ
+	-gamma	0	0
+		#                  Id:	5409691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Edta-4 + H+ = NiH(Edta)-
+	log_k	23.6
+	delta_h	-38.4928	kJ
+	-gamma	0	0
+		#                  Id:	5409692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+
+	log_k	7.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Edta-4 = Co(Edta)-2
+	log_k	18.1657
+	delta_h	-15	kJ
+	-gamma	0	0
+		#                  Id:	2009691
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + Edta-4 + H+ = CoH(Edta)-
+	log_k	21.5946
+	delta_h	-22.9	kJ
+	-gamma	0	0
+		#                  Id:	2009692
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + Edta-4 + 2H+ = CoH2(Edta)
+	log_k	23.4986
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009693
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Co+3 + Edta-4 = Co(Edta)-
+	log_k	43.9735
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2019691
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Co+3 + Edta-4 + H+ = CoH(Edta)
+	log_k	47.168
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2019692
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Fe+2 + Edta-4 = Fe(Edta)-2
+	log_k	16
+	delta_h	-16.736	kJ
+	-gamma	0	0
+		#                  Id:	2809690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + Edta-4 + H+ = FeH(Edta)-
+	log_k	19.06
+	delta_h	-27.6144	kJ
+	-gamma	0	0
+		#                  Id:	2809691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+
+	log_k	6.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809692
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+
+	log_k	-4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809693
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Fe+3 + Edta-4 = Fe(Edta)-
+	log_k	27.7
+	delta_h	-11.2968	kJ
+	-gamma	0	0
+		#                  Id:	2819690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Edta-4 + H+ = FeH(Edta)
+	log_k	29.2
+	delta_h	-11.7152	kJ
+	-gamma	0	0
+		#                  Id:	2819691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+
+	log_k	19.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+
+	log_k	9.85
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819693
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mn+2 + Edta-4 = Mn(Edta)-2
+	log_k	15.6
+	delta_h	-19.2464	kJ
+	-gamma	0	0
+		#                  Id:	4709691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Edta-4 + H+ = MnH(Edta)-
+	log_k	19.1
+	delta_h	-24.2672	kJ
+	-gamma	0	0
+		#                  Id:	4709692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr+2 + Edta-4 = Cr(Edta)-2
+	log_k	15.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2109691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr+2 + Edta-4 + H+ = CrH(Edta)-
+	log_k	19.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2109692
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O
+	log_k	35.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O
+	log_k	37.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119692
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O
+	log_k	27.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119693
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Be+2 + Edta-4 = Be(Edta)-2
+	log_k	11.4157
+	delta_h	41	kJ
+	-gamma	0	0
+		#                  Id:	1109691
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + Edta-4 = Mg(Edta)-2
+	log_k	10.57
+	delta_h	13.8072	kJ
+	-gamma	0	0
+		#                  Id:	4609690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Edta-4 + H+ = MgH(Edta)-
+	log_k	14.97
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Edta-4 = Ca(Edta)-2
+	log_k	12.42
+	delta_h	-25.5224	kJ
+	-gamma	0	0
+		#                  Id:	1509690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Edta-4 + H+ = CaH(Edta)-
+	log_k	15.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509691
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Edta-4 = Sr(Edta)-2
+	log_k	10.4357
+	delta_h	-17	kJ
+	-gamma	0	0
+		#                  Id:	8009691
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + Edta-4 + H+ = SrH(Edta)-
+	log_k	14.7946
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009692
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Ba+2 + Edta-4 = Ba(Edta)-2
+	log_k	7.72
+	delta_h	-20.5016	kJ
+	-gamma	0	0
+		#                  Id:	1009691
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Na+ + Edta-4 = Na(Edta)-3
+	log_k	2.7
+	delta_h	-5.8576	kJ
+	-gamma	0	0
+		#                  Id:	5009690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+K+ + Edta-4 = K(Edta)-3
+	log_k	1.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4109690
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Propionate- = H(Propionate)
+	log_k	4.874
+	delta_h	0.66	kJ
+	-gamma	0	0
+		#                  Id:	3309711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + Propionate- = Pb(Propionate)+
+	log_k	2.64
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.00 35.0
+Pb+2 + 2Propionate- = Pb(Propionate)2
+	log_k	3.1765
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 2.00 25.0
+Zn+2 + Propionate- = Zn(Propionate)+
+	log_k	1.4389
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Zn+2 + 2Propionate- = Zn(Propionate)2
+	log_k	1.842
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + Propionate- = Cd(Propionate)+
+	log_k	1.598
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Cd+2 + 2Propionate- = Cd(Propionate)2
+	log_k	2.472
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 25.0
+Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O
+	log_k	10.594
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + Propionate- = Cu(Propionate)+
+	log_k	2.22
+	delta_h	4.1	kJ
+	-gamma	0	0
+		#                  Id:	2319711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2Propionate- = Cu(Propionate)2
+	log_k	3.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + Propionate- = Ni(Propionate)+
+	log_k	0.908
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 1.00 25.0
+Co+2 + Propionate- = Co(Propionate)+
+	log_k	0.671
+	delta_h	4.6	kJ
+	-gamma	0	0
+		#                  Id:	2009711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 2.00 25.0
+Co+2 + 2Propionate- = Co(Propionate)2
+	log_k	0.5565
+	delta_h	16	kJ
+	-gamma	0	0
+		#                  Id:	2009712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 2.00 25.0
+Fe+3 + Propionate- = Fe(Propionate)+2
+	log_k	4.012
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 20.0
+Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O
+	log_k	15.0773
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.50 25.0
+Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O
+	log_k	17.9563
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.50 25.0
+Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O
+	log_k	20.8858
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119713
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.50 25.0
+Mg+2 + Propionate- = Mg(Propionate)+
+	log_k	0.9689
+	delta_h	4.2677	kJ
+	-gamma	0	0
+		#                  Id:	4609710
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Ca+2 + Propionate- = Ca(Propionate)+
+	log_k	0.9289
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	1509710
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + Propionate- = Sr(Propionate)+
+	log_k	0.8589
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Propionate- = Ba(Propionate)+
+	log_k	0.7689
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009711
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + 2Propionate- = Ba(Propionate)2
+	log_k	0.9834
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009712
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+H+ + Butyrate- = H(Butyrate)
+	log_k	4.819
+	delta_h	2.8	kJ
+	-gamma	0	0
+		#                  Id:	3309721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + Butyrate- = Pb(Butyrate)+
+	log_k	2.101
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 2.00 25.0
+Zn+2 + Butyrate- = Zn(Butyrate)+
+	log_k	1.4289
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O
+	log_k	10.3529
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Cu+2 + Butyrate- = Cu(Butyrate)+
+	log_k	2.14
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + Butyrate- = Ni(Butyrate)+
+	log_k	0.691
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 2.00 25.0
+Co+2 + Butyrate- = Co(Butyrate)+
+	log_k	0.591
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Co+2 + 2Butyrate- = Co(Butyrate)2
+	log_k	0.7765
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009722
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Mg+2 + Butyrate- = Mg(Butyrate)+
+	log_k	0.9589
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609720
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Ca+2 + Butyrate- = Ca(Butyrate)+
+	log_k	0.9389
+	delta_h	3.3472	kJ
+	-gamma	0	0
+		#                  Id:	1509720
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Sr+2 + Butyrate- = Sr(Butyrate)+
+	log_k	0.7889
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Butyrate- = Ba(Butyrate)+
+	log_k	0.7389
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009721
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + 2Butyrate- = Ba(Butyrate)2
+	log_k	0.88
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009722
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Isobutyrate- = H(Isobutyrate)
+	log_k	4.849
+	delta_h	3.2217	kJ
+	-gamma	0	0
+		#                  Id:	3309731
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Isobutyrate- = Zn(Isobutyrate)+
+	log_k	1.44
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509731
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Isobutyrate- = Cu(Isobutyrate)+
+	log_k	2.17
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319731
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2
+	log_k	3.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319732
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2
+	log_k	4.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819731
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Isobutyrate- = Ca(Isobutyrate)+
+	log_k	0.51
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509731
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Two_picoline = H(Two_picoline)+
+	log_k	5.95
+	delta_h	-25.5224	kJ
+	-gamma	0	0
+		#                  Id:	3309801
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Two_picoline = Cu(Two_picoline)+2
+	log_k	1.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319801
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2
+	log_k	2.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319802
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + Two_picoline = Cu(Two_picoline)+
+	log_k	5.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309801
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 2Two_picoline = Cu(Two_picoline)2+
+	log_k	7.65
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309802
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 3Two_picoline = Cu(Two_picoline)3+
+	log_k	8.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309803
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Two_picoline = Ag(Two_picoline)+
+	log_k	2.32
+	delta_h	-24.2672	kJ
+	-gamma	0	0
+		#                  Id:	209801
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Two_picoline = Ag(Two_picoline)2+
+	log_k	4.68
+	delta_h	-42.6768	kJ
+	-gamma	0	0
+		#                  Id:	209802
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Two_picoline = Ni(Two_picoline)+2
+	log_k	0.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409801
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Three_picoline = H(Three_picoline)+
+	log_k	5.7
+	delta_h	-23.8488	kJ
+	-gamma	0	0
+		#                  Id:	3309811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Three_picoline = Zn(Three_picoline)+2
+	log_k	1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2
+	log_k	2.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509812
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2
+	log_k	2.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509813
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2
+	log_k	3.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509814
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Three_picoline = Cd(Three_picoline)+2
+	log_k	1.42
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609811
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2
+	log_k	2.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609812
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2
+	log_k	3.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609813
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2
+	log_k	4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609814
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + Three_picoline = Cu(Three_picoline)+
+	log_k	5.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 2Three_picoline = Cu(Three_picoline)2+
+	log_k	7.78
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309812
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 3Three_picoline = Cu(Three_picoline)3+
+	log_k	8.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309813
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 4Three_picoline = Cu(Three_picoline)4+
+	log_k	9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309814
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Three_picoline = Cu(Three_picoline)+2
+	log_k	2.77
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2
+	log_k	4.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319812
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2
+	log_k	6.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319813
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2
+	log_k	7.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319814
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Three_picoline = Ag(Three_picoline)+
+	log_k	2.2
+	delta_h	-21.7568	kJ
+	-gamma	0	0
+		#                  Id:	209811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Three_picoline = Ag(Three_picoline)2+
+	log_k	4.46
+	delta_h	-49.7896	kJ
+	-gamma	0	0
+		#                  Id:	209812
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Three_picoline = Ni(Three_picoline)+2
+	log_k	1.87
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409811
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2
+	log_k	3.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409812
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2
+	log_k	4.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409813
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2
+	log_k	4.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409814
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Three_picoline = Co(Three_picoline)+2
+	log_k	1.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009811
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Co+2 + 2Three_picoline = Co(Three_picoline)2+2
+	log_k	2.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009812
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Co+2 + 3Three_picoline = Co(Three_picoline)3+2
+	log_k	2.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009813
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+H+ + Four_picoline = H(Four_picoline)+
+	log_k	6.03
+	delta_h	-25.3132	kJ
+	-gamma	0	0
+		#                  Id:	3309821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Four_picoline = Zn(Four_picoline)+2
+	log_k	1.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2
+	log_k	2.11
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509822
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2
+	log_k	2.85
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509823
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Four_picoline = Cd(Four_picoline)+2
+	log_k	1.59
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609821
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2
+	log_k	2.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609822
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2
+	log_k	3.18
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609823
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2
+	log_k	4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609824
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + Four_picoline = Cu(Four_picoline)+
+	log_k	5.65
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 2Four_picoline = Cu(Four_picoline)2+
+	log_k	8.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309822
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 3Four_picoline = Cu(Four_picoline)3+
+	log_k	8.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309823
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+ + 4Four_picoline = Cu(Four_picoline)4+
+	log_k	9.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309824
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Four_picoline = Cu(Four_picoline)+2
+	log_k	2.88
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2
+	log_k	5.16
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319822
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2
+	log_k	6.77
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319823
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2
+	log_k	8.08
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319824
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2
+	log_k	8.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319825
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Four_picoline = Ag(Four_picoline)+
+	log_k	2.03
+	delta_h	-25.5224	kJ
+	-gamma	0	0
+		#                  Id:	209821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Four_picoline = Ag(Four_picoline)2+
+	log_k	4.39
+	delta_h	-53.5552	kJ
+	-gamma	0	0
+		#                  Id:	209822
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Four_picoline = Ni(Four_picoline)+2
+	log_k	2.11
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409821
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2
+	log_k	3.59
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409822
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2
+	log_k	4.34
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409823
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2
+	log_k	4.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409824
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Four_picoline = Co(Four_picoline)+2
+	log_k	1.56
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009821
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Co+2 + 2Four_picoline = Co(Four_picoline)2+2
+	log_k	2.51
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009822
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Co+2 + 3Four_picoline = Co(Four_picoline)3+2
+	log_k	2.94
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009823
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Co+2 + 4Four_picoline = Co(Four_picoline)4+2
+	log_k	3.17
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009824
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+H+ + Formate- = H(Formate)
+	log_k	3.745
+	delta_h	0.1674	kJ
+	-gamma	0	0
+		#                  Id:	3309831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Formate- = Pb(Formate)+
+	log_k	2.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009831
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + Formate- = Zn(Formate)+
+	log_k	1.44
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Formate- = Cd(Formate)+
+	log_k	1.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609831
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O
+	log_k	9.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Formate- = Cu(Formate)+
+	log_k	2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Formate- = Ni(Formate)+
+	log_k	1.22
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409831
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Co+2 + Formate- = Co(Formate)+
+	log_k	1.209
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009831
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 30.0
+Co+2 + 2Formate- = Co(Formate)2
+	log_k	1.1365
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009832
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Cr+2 + Formate- = Cr(Formate)+
+	log_k	1.07
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2109831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Formate- = Mg(Formate)+
+	log_k	1.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Formate- = Ca(Formate)+
+	log_k	1.43
+	delta_h	4.184	kJ
+	-gamma	0	0
+		#                  Id:	1509831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Formate- = Sr(Formate)+
+	log_k	1.39
+	delta_h	4	kJ
+	-gamma	0	0
+		#                  Id:	8009831
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + Formate- = Ba(Formate)+
+	log_k	1.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009831
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Isovalerate- = H(Isovalerate)
+	log_k	4.781
+	delta_h	4.5606	kJ
+	-gamma	0	0
+		#                  Id:	3309841
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Isovalerate- = Zn(Isovalerate)+
+	log_k	1.39
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509841
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Isovalerate- = Cu(Isovalerate)+
+	log_k	2.08
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319841
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Isovalerate- = Ca(Isovalerate)+
+	log_k	0.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509841
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Valerate- = H(Valerate)
+	log_k	4.843
+	delta_h	2.887	kJ
+	-gamma	0	0
+		#                  Id:	3309851
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Valerate- = Cu(Valerate)+
+	log_k	2.12
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319851
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Valerate- = Ca(Valerate)+
+	log_k	0.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509851
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ba+2 + Valerate- = Ba(Valerate)+
+	log_k	-0.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009851
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Acetate- = H(Acetate)
+	log_k	4.757
+	delta_h	0.41	kJ
+	-gamma	0	0
+		#                  Id:	3309921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O
+	log_k	10.0213
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 3.00 25.0
+Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O
+	log_k	12.32
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 3.00 25.0
+Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O
+	log_k	13.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909923
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 3.00 25.0
+Pb+2 + Acetate- = Pb(Acetate)+
+	log_k	2.68
+	delta_h	-0.4	kJ
+	-gamma	0	0
+		#                  Id:	6009921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Pb+2 + 2Acetate- = Pb(Acetate)2
+	log_k	4.08
+	delta_h	-0.8	kJ
+	-gamma	0	0
+		#                  Id:	6009922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Tl+ + Acetate- = Tl(Acetate)
+	log_k	-0.11
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + Acetate- = Zn(Acetate)+
+	log_k	1.58
+	delta_h	8.3	kJ
+	-gamma	0	0
+		#                  Id:	9509921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Zn+2 + 2Acetate- = Zn(Acetate)2
+	log_k	2.6434
+	delta_h	22	kJ
+	-gamma	0	0
+		#                  Id:	9509922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Cd+2 + Acetate- = Cd(Acetate)+
+	log_k	1.93
+	delta_h	9.6	kJ
+	-gamma	0	0
+		#                  Id:	1609921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cd+2 + 2Acetate- = Cd(Acetate)2
+	log_k	2.86
+	delta_h	15	kJ
+	-gamma	0	0
+		#                  Id:	1609922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O
+	log_k	10.494
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O
+	log_k	13.83
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	 3.00 25.0
+Cu+2 + Acetate- = Cu(Acetate)+
+	log_k	2.21
+	delta_h	7.1	kJ
+	-gamma	0	0
+		#                  Id:	2319921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 2Acetate- = Cu(Acetate)2
+	log_k	3.4
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	2319922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Cu+2 + 3Acetate- = Cu(Acetate)3-
+	log_k	3.9434
+	delta_h	6.2	kJ
+	-gamma	0	0
+		#                  Id:	2319923
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Ag+ + Acetate- = Ag(Acetate)
+	log_k	0.73
+	delta_h	3	kJ
+	-gamma	0	0
+		#                  Id:	209921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ag+ + 2Acetate- = Ag(Acetate)2-
+	log_k	0.64
+	delta_h	3	kJ
+	-gamma	0	0
+		#                  Id:	209922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + Acetate- = Ni(Acetate)+
+	log_k	1.37
+	delta_h	8.7	kJ
+	-gamma	0	0
+		#                  Id:	5409921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Ni+2 + 2Acetate- = Ni(Acetate)2
+	log_k	2.1
+	delta_h	10	kJ
+	-gamma	0	0
+		#                  Id:	5409922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + Acetate- = Co(Acetate)+
+	log_k	1.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2Acetate- = Co(Acetate)2
+	log_k	0.7565
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 2.00 25.0
+Fe+2 + Acetate- = Fe(Acetate)+
+	log_k	1.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Fe+3 + Acetate- = Fe(Acetate)+2
+	log_k	4.0234
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Fe+3 + 2Acetate- = Fe(Acetate)2+
+	log_k	7.5723
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Fe+3 + 3Acetate- = Fe(Acetate)3
+	log_k	9.5867
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Mn+2 + Acetate- = Mn(Acetate)+
+	log_k	1.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Cr+2 + Acetate- = Cr(Acetate)+
+	log_k	1.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2109921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Cr+2 + 2Acetate- = Cr(Acetate)2
+	log_k	2.92
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2109922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O
+	log_k	15.0073
+	delta_h	-125.62	kJ
+	-gamma	0	0
+		#                  Id:	2119921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O
+	log_k	17.9963
+	delta_h	-117.62	kJ
+	-gamma	0	0
+		#                  Id:	2119922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O
+	log_k	20.7858
+	delta_h	-96.62	kJ
+	-gamma	0	0
+		#                  Id:	2119923
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.50 25.0
+Be+2 + Acetate- = Be(Acetate)+
+	log_k	2.0489
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Be+2 + 2Acetate- = Be(Acetate)2
+	log_k	3.0034
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109922
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + Acetate- = Mg(Acetate)+
+	log_k	1.27
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Ca+2 + Acetate- = Ca(Acetate)+
+	log_k	1.18
+	delta_h	4	kJ
+	-gamma	0	0
+		#                  Id:	1509920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Sr+2 + Acetate- = Sr(Acetate)+
+	log_k	1.14
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + Acetate- = Ba(Acetate)+
+	log_k	1.07
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Na+ + Acetate- = Na(Acetate)
+	log_k	-0.18
+	delta_h	12	kJ
+	-gamma	0	0
+		#                  Id:	5009920
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+K+ + Acetate- = K(Acetate)
+	log_k	-0.1955
+	delta_h	4.184	kJ
+	-gamma	0	0
+		#                  Id:	4109921
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+H+ + Tartarate-2 = H(Tartarate)-
+	log_k	4.366
+	delta_h	-0.7531	kJ
+	-gamma	0	0
+		#                  Id:	3309931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Tartarate-2 = H2(Tartarate)
+	log_k	7.402
+	delta_h	-3.6819	kJ
+	-gamma	0	0
+		#                  Id:	3309932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O
+	log_k	13.1518
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	7909931
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Pb+2 + Tartarate-2 = Pb(Tartarate)
+	log_k	3.98
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + 2Tartarate-2 = Al(Tartarate)2-
+	log_k	9.37
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Tartarate-2 = Tl(Tartarate)-
+	log_k	1.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Tl+ + Tartarate-2 + H+ = TlH(Tartarate)
+	log_k	4.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Tartarate-2 = Zn(Tartarate)
+	log_k	3.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2
+	log_k	5.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+
+	log_k	5.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509933
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Tartarate-2 = Cd(Tartarate)
+	log_k	2.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2
+	log_k	4.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O
+	log_k	14
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Tartarate-2 = Cu(Tartarate)
+	log_k	3.97
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+
+	log_k	6.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Tartarate-2 = Ni(Tartarate)
+	log_k	3.46
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+
+	log_k	5.89
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Tartarate-2 = Co(Tartarate)
+	log_k	3.05
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009931
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2Tartarate-2 = Co(Tartarate)2-2
+	log_k	4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009932
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+
+	log_k	5.754
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009933
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 1.00 20.0
+Fe+2 + Tartarate-2 = Fe(Tartarate)
+	log_k	3.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Tartarate-2 = Fe(Tartarate)+
+	log_k	7.78
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Tartarate-2 = Mn(Tartarate)
+	log_k	3.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+
+	log_k	6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Tartarate-2 = Mg(Tartarate)
+	log_k	2.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+
+	log_k	5.75
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Be+2 + Tartarate-2 = Be(Tartarate)
+	log_k	2.768
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109931
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Be+2 + 2Tartarate-2 = Be(Tartarate)2-2
+	log_k	4.008
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109932
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Ca+2 + Tartarate-2 = Ca(Tartarate)
+	log_k	2.8
+	delta_h	-8.368	kJ
+	-gamma	0	0
+		#                  Id:	1509931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+
+	log_k	5.86
+	delta_h	-9.1211	kJ
+	-gamma	0	0
+		#                  Id:	1509932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Tartarate-2 = Sr(Tartarate)
+	log_k	2.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009931
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 20.0
+Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+
+	log_k	5.8949
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009932
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Tartarate-2 = Ba(Tartarate)
+	log_k	2.54
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+
+	log_k	5.77
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Na+ + Tartarate-2 = Na(Tartarate)-
+	log_k	0.9
+	delta_h	-0.8368	kJ
+	-gamma	0	0
+		#                  Id:	5009931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Na+ + Tartarate-2 + H+ = NaH(Tartarate)
+	log_k	4.58
+	delta_h	-2.8451	kJ
+	-gamma	0	0
+		#                  Id:	5009932
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+K+ + Tartarate-2 = K(Tartarate)-
+	log_k	0.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4109931
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Glycine- = H(Glycine)
+	log_k	9.778
+	delta_h	-44.3504	kJ
+	-gamma	0	0
+		#                  Id:	3309941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Glycine- = H2(Glycine)+
+	log_k	12.128
+	delta_h	-48.4507	kJ
+	-gamma	0	0
+		#                  Id:	3309942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Glycine- = Pb(Glycine)+
+	log_k	5.47
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + 2Glycine- = Pb(Glycine)2
+	log_k	8.86
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009942
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Tl+ + Glycine- = Tl(Glycine)
+	log_k	1.72
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8709941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Glycine- = Zn(Glycine)+
+	log_k	5.38
+	delta_h	-11.7152	kJ
+	-gamma	0	0
+		#                  Id:	9509941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Glycine- = Zn(Glycine)2
+	log_k	9.81
+	delta_h	-24.2672	kJ
+	-gamma	0	0
+		#                  Id:	9509942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 3Glycine- = Zn(Glycine)3-
+	log_k	12.3
+	delta_h	-39.748	kJ
+	-gamma	0	0
+		#                  Id:	9509943
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Glycine- = Cd(Glycine)+
+	log_k	4.69
+	delta_h	-8.7864	kJ
+	-gamma	0	0
+		#                  Id:	1609941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Glycine- = Cd(Glycine)2
+	log_k	8.4
+	delta_h	-22.5936	kJ
+	-gamma	0	0
+		#                  Id:	1609942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 3Glycine- = Cd(Glycine)3-
+	log_k	10.7
+	delta_h	-35.9824	kJ
+	-gamma	0	0
+		#                  Id:	1609943
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O
+	log_k	17
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619941
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O
+	log_k	25.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619942
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cu+ + 2Glycine- = Cu(Glycine)2-
+	log_k	10.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2309941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Glycine- = Cu(Glycine)+
+	log_k	8.57
+	delta_h	-25.104	kJ
+	-gamma	0	0
+		#                  Id:	2319941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Glycine- = Cu(Glycine)2
+	log_k	15.7
+	delta_h	-54.8104	kJ
+	-gamma	0	0
+		#                  Id:	2319942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Glycine- = Ag(Glycine)
+	log_k	3.51
+	delta_h	-19.2464	kJ
+	-gamma	0	0
+		#                  Id:	209941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Glycine- = Ag(Glycine)2-
+	log_k	6.89
+	delta_h	-48.116	kJ
+	-gamma	0	0
+		#                  Id:	209942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Glycine- = Ni(Glycine)+
+	log_k	6.15
+	delta_h	-18.828	kJ
+	-gamma	0	0
+		#                  Id:	5409941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Glycine- = Ni(Glycine)2
+	log_k	11.12
+	delta_h	-38.0744	kJ
+	-gamma	0	0
+		#                  Id:	5409942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 3Glycine- = Ni(Glycine)3-
+	log_k	14.63
+	delta_h	-62.3416	kJ
+	-gamma	0	0
+		#                  Id:	5409943
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Co+2 + Glycine- = Co(Glycine)+
+	log_k	5.07
+	delta_h	-12	kJ
+	-gamma	0	0
+		#                  Id:	2009941
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 2Glycine- = Co(Glycine)2
+	log_k	9.07
+	delta_h	-26	kJ
+	-gamma	0	0
+		#                  Id:	2009942
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + 3Glycine- = Co(Glycine)3-
+	log_k	11.6
+	delta_h	-41	kJ
+	-gamma	0	0
+		#                  Id:	2009943
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + Glycine- + H2O = CoOH(Glycine) + H+
+	log_k	-5.02
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009944
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Fe+2 + Glycine- = Fe(Glycine)+
+	log_k	4.31
+	delta_h	-15.0624	kJ
+	-gamma	0	0
+		#                  Id:	2809941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + 2Glycine- = Fe(Glycine)2
+	log_k	8.29
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Glycine- = Fe(Glycine)+2
+	log_k	9.38
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Glycine- + H+ = FeH(Glycine)+3
+	log_k	11.55
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Glycine- = Mn(Glycine)+
+	log_k	3.19
+	delta_h	-1.2552	kJ
+	-gamma	0	0
+		#                  Id:	4709941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + 2Glycine- = Mn(Glycine)2
+	log_k	5.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O
+	log_k	18.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119941
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O
+	log_k	25.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119942
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O
+	log_k	31.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119943
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mg+2 + Glycine- = Mg(Glycine)+
+	log_k	2.08
+	delta_h	4.184	kJ
+	-gamma	0	0
+		#                  Id:	4609941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Glycine- = Ca(Glycine)+
+	log_k	1.39
+	delta_h	-4.184	kJ
+	-gamma	0	0
+		#                  Id:	1509941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Glycine- + H+ = CaH(Glycine)+2
+	log_k	10.1
+	delta_h	-35.9824	kJ
+	-gamma	0	0
+		#                  Id:	1509942
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Glycine- = Sr(Glycine)+
+	log_k	0.91
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009941
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.00 25.0
+Ba+2 + Glycine- = Ba(Glycine)+
+	log_k	0.77
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009941
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Salicylate-2 = H(Salicylate)-
+	log_k	13.7
+	delta_h	-35.7732	kJ
+	-gamma	0	0
+		#                  Id:	3309951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Salicylate-2 = H2(Salicylate)
+	log_k	16.8
+	delta_h	-38.7857	kJ
+	-gamma	0	0
+		#                  Id:	3309952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Salicylate-2 = Zn(Salicylate)
+	log_k	7.71
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509951
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+
+	log_k	15.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Salicylate-2 = Cd(Salicylate)
+	log_k	6.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+
+	log_k	16
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Salicylate-2 = Cu(Salicylate)
+	log_k	11.3
+	delta_h	-17.9912	kJ
+	-gamma	0	0
+		#                  Id:	2319951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2
+	log_k	19.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+
+	log_k	14.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2319953
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Salicylate-2 = Ni(Salicylate)
+	log_k	8.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2
+	log_k	12.64
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409952
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Co+2 + Salicylate-2 = Co(Salicylate)
+	log_k	7.4289
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009951
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Co+2 + 2Salicylate-2 = Co(Salicylate)2-2
+	log_k	11.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009952
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 20.0
+Fe+2 + Salicylate-2 = Fe(Salicylate)
+	log_k	7.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2
+	log_k	11.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2809952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + Salicylate-2 = Fe(Salicylate)+
+	log_k	17.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Fe+3 + 2Salicylate-2 = Fe(Salicylate)2-
+	log_k	29.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2819952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + Salicylate-2 = Mn(Salicylate)
+	log_k	6.5
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2
+	log_k	10.1
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Be+2 + Salicylate-2 = Be(Salicylate)
+	log_k	13.3889
+	delta_h	-31.7732	kJ
+	-gamma	0	0
+		#                  Id:	1109951
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.10 25.0
+Be+2 + 2Salicylate-2 = Be(Salicylate)2-2
+	log_k	23.25
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109952
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + Salicylate-2 = Mg(Salicylate)
+	log_k	5.76
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+
+	log_k	15.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609952
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ca+2 + Salicylate-2 = Ca(Salicylate)
+	log_k	4.05
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509951
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+
+	log_k	14.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509952
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+
+	log_k	13.9
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009951
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+H+ + Glutamate-2 = H(Glutamate)-
+	log_k	9.96
+	delta_h	-41.0032	kJ
+	-gamma	0	0
+		#                  Id:	3309961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Glutamate-2 = H2(Glutamate)
+	log_k	14.26
+	delta_h	-43.5136	kJ
+	-gamma	0	0
+		#                  Id:	3309962
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+3H+ + Glutamate-2 = H3(Glutamate)+
+	log_k	16.42
+	delta_h	-46.8608	kJ
+	-gamma	0	0
+		#                  Id:	3309963
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Glutamate-2 = Pb(Glutamate)
+	log_k	6.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009961
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2
+	log_k	8.61
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+
+	log_k	14.08
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009963
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2
+	log_k	13.07
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Glutamate-2 = Zn(Glutamate)
+	log_k	6.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509961
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2
+	log_k	9.13
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4
+	log_k	9.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509963
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cd+2 + Glutamate-2 = Cd(Glutamate)
+	log_k	4.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2
+	log_k	7.59
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609962
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O
+	log_k	19.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619961
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O
+	log_k	26.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	3619962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cu+2 + Glutamate-2 = Cu(Glutamate)
+	log_k	9.17
+	delta_h	-20.92	kJ
+	-gamma	0	0
+		#                  Id:	2319961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2
+	log_k	15.78
+	delta_h	-48.116	kJ
+	-gamma	0	0
+		#                  Id:	2319962
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+
+	log_k	13.3
+	delta_h	-28.0328	kJ
+	-gamma	0	0
+		#                  Id:	2319963
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + Glutamate-2 = Ag(Glutamate)-
+	log_k	4.22
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3
+	log_k	7.36
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+2Ag+ + Glutamate-2 = Ag2(Glutamate)
+	log_k	3.4
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	209963
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Glutamate-2 = Ni(Glutamate)
+	log_k	6.47
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2
+	log_k	10.7
+	delta_h	-30.9616	kJ
+	-gamma	0	0
+		#                  Id:	5409962
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Glutamate-2 = Co(Glutamate)
+	log_k	5.4178
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009961
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Co+2 + 2Glutamate-2 = Co(Glutamate)2-2
+	log_k	8.7178
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009962
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Mn+2 + Glutamate-2 = Mn(Glutamate)
+	log_k	4.95
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709961
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2
+	log_k	8.48
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4709962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O
+	log_k	22.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119961
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O
+	log_k	30.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119962
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O
+	log_k	25.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119963
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Mg+2 + Glutamate-2 = Mg(Glutamate)
+	log_k	2.8
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Glutamate-2 = Ca(Glutamate)
+	log_k	2.06
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+
+	log_k	11.13
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509962
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Sr+2 + Glutamate-2 = Sr(Glutamate)
+	log_k	2.2278
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	8009961
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Ba+2 + Glutamate-2 = Ba(Glutamate)
+	log_k	2.14
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009961
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+H+ + Phthalate-2 = H(Phthalate)-
+	log_k	5.408
+	delta_h	2.1757	kJ
+	-gamma	0	0
+		#                  Id:	3309971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+2H+ + Phthalate-2 = H2(Phthalate)
+	log_k	8.358
+	delta_h	4.8534	kJ
+	-gamma	0	0
+		#                  Id:	3309972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Phthalate-2 = Pb(Phthalate)
+	log_k	4.26
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009971
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2
+	log_k	4.83
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+
+	log_k	6.98
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	6009973
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + Phthalate-2 = Al(Phthalate)+
+	log_k	4.56
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Al+3 + 2Phthalate-2 = Al(Phthalate)2-
+	log_k	7.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	309972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + Phthalate-2 = Zn(Phthalate)
+	log_k	2.91
+	delta_h	13.3888	kJ
+	-gamma	0	0
+		#                  Id:	9509971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2
+	log_k	4.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	9509972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Phthalate-2 = Cd(Phthalate)
+	log_k	3.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+
+	log_k	6.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609973
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2
+	log_k	3.7
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1609972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Phthalate-2 = Cu(Phthalate)
+	log_k	4.02
+	delta_h	8.368	kJ
+	-gamma	0	0
+		#                  Id:	2319971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+
+	log_k	7.1
+	delta_h	3.8493	kJ
+	-gamma	0	0
+		#                  Id:	2319970
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2
+	log_k	5.3
+	delta_h	15.8992	kJ
+	-gamma	0	0
+		#                  Id:	2319972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Phthalate-2 = Ni(Phthalate)
+	log_k	2.95
+	delta_h	7.5312	kJ
+	-gamma	0	0
+		#                  Id:	5409971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+
+	log_k	6.6
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	5409972
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Co+2 + Phthalate-2 = Co(Phthalate)
+	log_k	2.83
+	delta_h	7.9	kJ
+	-gamma	0	0
+		#                  Id:	2009971
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.4                      
+		#T and ionic strength:	 0.00 25.0
+Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+
+	log_k	7.227
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2009972
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.50 25.0
+Mn+2 + Phthalate-2 = Mn(Phthalate)
+	log_k	2.74
+	delta_h	10.0416	kJ
+	-gamma	0	0
+		#                  Id:	4709971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O
+	log_k	16.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119971
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O
+	log_k	21.2
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119972
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O
+	log_k	23.3
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	2119973
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Be+2 + Phthalate-2 = Be(Phthalate)
+	log_k	4.8278
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109971
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Be+2 + 2Phthalate-2 = Be(Phthalate)2-2
+	log_k	6.5478
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1109972
+		#        log K source:	NIST46.4                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	 0.10 25.0
+Mg+2 + Phthalate-2 = Mg(Phthalate)
+	log_k	2.49
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	4609971
+		#        log K source:	SCD2.62                       
+		#      Delta H source:	SCD2.62                       
+		#T and ionic strength:	          
+Ca+2 + Phthalate-2 = Ca(Phthalate)
+	log_k	2.45
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509970
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+
+	log_k	6.43
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1509971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Ba+2 + Phthalate-2 = Ba(Phthalate)
+	log_k	2.33
+	delta_h	0	kJ
+	-gamma	0	0
+		#                  Id:	1009971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+Na+ + Phthalate-2 = Na(Phthalate)-
+	log_k	0.8
+	delta_h	4.184	kJ
+	-gamma	0	0
+		#                  Id:	5009970
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+K+ + Phthalate-2 = K(Phthalate)-
+	log_k	0.7
+	delta_h	3.7656	kJ
+	-gamma	0	0
+		#                  Id:	4109971
+		#        log K source:	NIST46.2                      
+		#      Delta H source:	NIST46.2                      
+		#T and ionic strength:	          
+PHASES
+Sulfur
+	S + H+ + 2e- = HS-
+	log_k	-2.1449
+	delta_h	-16.3	kJ
+Semetal(hex
+	Se + H+ + 2e- = HSe-
+	log_k	-7.7084
+	delta_h	15.9	kJ
+Semetal(am)
+	Se + H+ + 2e- = HSe-
+	log_k	-7.1099
+	delta_h	10.8784	kJ
+Sbmetal
+	Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
+	log_k	-11.6889
+	delta_h	83.89	kJ
+Snmetal(wht)
+	Sn + 2H2O = Sn(OH)2 + 2H+ + 2e-
+	log_k	-2.3266
+	delta_h	-0	kJ
+Pbmetal
+	Pb = Pb+2 + 2e-
+	log_k	4.2462
+	delta_h	0.92	kJ
+Tlmetal
+	Tl = Tl+ + e-
+	log_k	5.6762
+	delta_h	5.36	kJ
+Znmetal
+	Zn = Zn+2 + 2e-
+	log_k	25.7886
+	delta_h	-153.39	kJ
+Cdmetal(alpha)
+	Cd = Cd+2 + 2e-
+	log_k	13.5147
+	delta_h	-75.33	kJ
+Cdmetal(gamma)
+	Cd = Cd+2 + 2e-
+	log_k	13.618
+	delta_h	-75.92	kJ
+Hgmetal(l)
+	Hg = 0.5Hg2+2 + e-
+	log_k	-13.4517
+	delta_h	83.435	kJ
+Cumetal
+	Cu = Cu+ + e-
+	log_k	-8.756
+	delta_h	71.67	kJ
+Agmetal
+	Ag = Ag+ + e-
+	log_k	-13.5065
+	delta_h	105.79	kJ
+Crmetal
+	Cr = Cr+2 + 2e-
+	log_k	30.4831
+	delta_h	-172	kJ
+Vmetal
+	V = V+3 + 3e-
+	log_k	44.0253
+	delta_h	-259	kJ
+Stibnite
+	Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS-
+	log_k	-50.46
+	delta_h	293.78	kJ
+Orpiment
+	As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
+	log_k	-61.0663
+	delta_h	350.68	kJ
+Realgar
+	AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
+	log_k	-19.747
+	delta_h	127.8	kJ
+SnS
+	SnS + 2H2O = Sn(OH)2 + H+ + HS-
+	log_k	-19.114
+	delta_h	-0	kJ
+SnS2
+	SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS-
+	log_k	-57.4538
+	delta_h	-0	kJ
+Galena
+	PbS + H+ = Pb+2 + HS-
+	log_k	-13.97
+	delta_h	80	kJ
+Tl2S
+	Tl2S + H+ = 2Tl+ + HS-
+	log_k	-7.19
+	delta_h	91.52	kJ
+ZnS(am)
+	ZnS + H+ = Zn+2 + HS-
+	log_k	-9.052
+	delta_h	15.3553	kJ
+Sphalerite
+	ZnS + H+ = Zn+2 + HS-
+	log_k	-11.45
+	delta_h	30	kJ
+Wurtzite
+	ZnS + H+ = Zn+2 + HS-
+	log_k	-8.95
+	delta_h	21.171	kJ
+Greenockite
+	CdS + H+ = Cd+2 + HS-
+	log_k	-14.36
+	delta_h	55	kJ
+Hg2S
+	Hg2S + H+ = Hg2+2 + HS-
+	log_k	-11.6765
+	delta_h	69.7473	kJ
+Cinnabar
+	HgS + 2H2O = Hg(OH)2 + H+ + HS-
+	log_k	-45.694
+	delta_h	253.76	kJ
+Metacinnabar
+	HgS + 2H2O = Hg(OH)2 + H+ + HS-
+	log_k	-45.094
+	delta_h	253.72	kJ
+Chalcocite
+	Cu2S + H+ = 2Cu+ + HS-
+	log_k	-34.92
+	delta_h	168	kJ
+Djurleite
+	Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
+	log_k	-33.92
+	delta_h	200.334	kJ
+Anilite
+	Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
+	log_k	-31.878
+	delta_h	182.15	kJ
+BlaubleiII
+	Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
+	log_k	-27.279
+	delta_h	-0	kJ
+BlaubleiI
+	Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
+	log_k	-24.162
+	delta_h	-0	kJ
+Covellite
+	CuS + H+ = Cu+2 + HS-
+	log_k	-22.3
+	delta_h	97	kJ
+Chalcopyrite
+	CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
+	log_k	-35.27
+	delta_h	148.448	kJ
+Acanthite
+	Ag2S + H+ = 2Ag+ + HS-
+	log_k	-36.22
+	delta_h	227	kJ
+NiS(alpha)
+	NiS + H+ = Ni+2 + HS-
+	log_k	-5.6
+	delta_h	-0	kJ
+NiS(beta)
+	NiS + H+ = Ni+2 + HS-
+	log_k	-11.1
+	delta_h	-0	kJ
+NiS(gamma)
+	NiS + H+ = Ni+2 + HS-
+	log_k	-12.8
+	delta_h	-0	kJ
+CoS(alpha)
+	CoS + H+ = Co+2 + HS-
+	log_k	-7.44
+	delta_h	-0	kJ
+CoS(beta)
+	CoS + H+ = Co+2 + HS-
+	log_k	-11.07
+	delta_h	-0	kJ
+FeS(ppt)
+	FeS + H+ = Fe+2 + HS-
+	log_k	-2.95
+	delta_h	-11	kJ
+Greigite
+	Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
+	log_k	-45.035
+	delta_h	-0	kJ
+Mackinawite
+	FeS + H+ = Fe+2 + HS-
+	log_k	-3.6
+	delta_h	-0	kJ
+Pyrite
+	FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
+	log_k	-18.5082
+	delta_h	49.844	kJ
+MnS(grn)
+	MnS + H+ = Mn+2 + HS-
+	log_k	0.17
+	delta_h	-32	kJ
+MnS(pnk)
+	MnS + H+ = Mn+2 + HS-
+	log_k	3.34
+	delta_h	-0	kJ
+MoS2
+	MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e-
+	log_k	-70.2596
+	delta_h	389.02	kJ
+BeS
+	BeS + H+ = Be+2 + HS-
+	log_k	19.38
+	delta_h	-0	kJ
+BaS
+	BaS + H+ = Ba+2 + HS-
+	log_k	16.18
+	delta_h	-0	kJ
+Hg2(Cyanide)2
+	Hg2(Cyanide)2 = Hg2+2 + 2Cyanide-
+	log_k	-39.3
+	delta_h	-0	kJ
+CuCyanide
+	CuCyanide = Cu+ + Cyanide-
+	log_k	-19.5
+	delta_h	-19	kJ
+AgCyanide
+	AgCyanide = Ag+ + Cyanide-
+	log_k	-15.74
+	delta_h	110.395	kJ
+Ag2(Cyanide)2
+	Ag2(Cyanide)2 = 2Ag+ + 2Cyanide-
+	log_k	-11.3289
+	delta_h	-0	kJ
+NaCyanide(cubic)
+	NaCyanide = Cyanide- + Na+
+	log_k	1.6012
+	delta_h	0.969	kJ
+KCyanide(cubic)
+	KCyanide = Cyanide- + K+
+	log_k	1.4188
+	delta_h	11.93	kJ
+Pb2Fe(Cyanide)6
+	Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide-
+	log_k	-53.42
+	delta_h	-0	kJ
+Zn2Fe(Cyanide)6
+	Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide-
+	log_k	-51.08
+	delta_h	-0	kJ
+Cd2Fe(Cyanide)6
+	Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide-
+	log_k	-52.78
+	delta_h	-0	kJ
+Ag4Fe(Cyanide)6
+	Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide-
+	log_k	-79.47
+	delta_h	-0	kJ
+Ag3Fe(Cyanide)6
+	Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide-
+	log_k	-72.7867
+	delta_h	-0	kJ
+Mn3(Fe(Cyanide)6)2
+	Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide-
+	log_k	-105.4
+	delta_h	-0	kJ
+Sb2Se3
+	Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
+	log_k	-67.7571
+	delta_h	343.046	kJ
+SnSe
+	SnSe + 2H2O = Sn(OH)2 + H+ + HSe-
+	log_k	-30.494
+	delta_h	-0	kJ
+SnSe2
+	SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe-
+	log_k	-65.1189
+	delta_h	-0	kJ
+Clausthalite
+	PbSe + H+ = Pb+2 + HSe-
+	log_k	-27.1
+	delta_h	119.72	kJ
+Tl2Se
+	Tl2Se + H+ = 2Tl+ + HSe-
+	log_k	-18.1
+	delta_h	85.62	kJ
+ZnSe
+	ZnSe + H+ = Zn+2 + HSe-
+	log_k	-14.4
+	delta_h	25.51	kJ
+CdSe
+	CdSe + H+ = Cd+2 + HSe-
+	log_k	-20.2
+	delta_h	75.9814	kJ
+HgSe
+	HgSe + 2H2O = Hg(OH)2 + H+ + HSe-
+	log_k	-55.694
+	delta_h	-0	kJ
+Cu2Se(alpha)
+	Cu2Se + H+ = 2Cu+ + HSe-
+	log_k	-45.8
+	delta_h	214.263	kJ
+Cu3Se2
+	Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
+	log_k	-63.4911
+	delta_h	340.327	kJ
+CuSe
+	CuSe + H+ = Cu+2 + HSe-
+	log_k	-33.1
+	delta_h	121.127	kJ
+CuSe2
+	CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
+	log_k	-33.3655
+	delta_h	140.582	kJ
+Ag2Se
+	Ag2Se + H+ = 2Ag+ + HSe-
+	log_k	-48.7
+	delta_h	265.48	kJ
+NiSe
+	NiSe + H+ = Ni+2 + HSe-
+	log_k	-17.7
+	delta_h	-0	kJ
+CoSe
+	CoSe + H+ = Co+2 + HSe-
+	log_k	-16.2
+	delta_h	-0	kJ
+FeSe
+	FeSe + H+ = Fe+2 + HSe-
+	log_k	-11
+	delta_h	2.092	kJ
+Ferroselite
+	FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
+	log_k	-18.5959
+	delta_h	47.2792	kJ
+MnSe
+	MnSe + H+ = Mn+2 + HSe-
+	log_k	3.5
+	delta_h	-98.15	kJ
+AlSb
+	AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
+	log_k	65.6241
+	delta_h	-0	kJ
+ZnSb
+	ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
+	log_k	11.0138
+	delta_h	-54.8773	kJ
+CdSb
+	CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
+	log_k	-0.3501
+	delta_h	22.36	kJ
+Cu2Sb:3H2O
+	Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
+	log_k	-34.8827
+	delta_h	233.237	kJ
+Cu3Sb
+	Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
+	log_k	-42.5937
+	delta_h	308.131	kJ
+#Ag4Sb
+#	Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
+#	log_k	-56.1818
+#	delta_h	-0	kJ
+Breithauptite
+	NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
+	log_k	-18.5225
+	delta_h	96.0019	kJ
+MnSb
+	MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
+	log_k	-2.9099
+	delta_h	21.1083	kJ
+Mn2Sb
+	Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
+	log_k	61.0796
+	delta_h	-0	kJ
+USb2
+	USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
+	log_k	29.5771
+	delta_h	-103.56	kJ
+U3Sb4
+	U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
+	log_k	152.383
+	delta_h	-986.04	kJ
+Mg2Sb3
+	Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
+	log_k	74.6838
+	delta_h	-0	kJ
+Ca3Sb2
+	Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
+	log_k	142.974
+	delta_h	-732.744	kJ
+NaSb
+	NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
+	log_k	23.1658
+	delta_h	-93.45	kJ
+Na3Sb
+	Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
+	log_k	94.4517
+	delta_h	-432.13	kJ
+SeO2
+	SeO2 + H2O = HSeO3- + H+
+	log_k	0.1246
+	delta_h	1.4016	kJ
+SeO3
+	SeO3 + H2O = SeO4-2 + 2H+
+	log_k	21.044
+	delta_h	-146.377	kJ
+Sb2O5
+	Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
+	log_k	-9.6674
+	delta_h	-0	kJ
+SbO2
+	SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
+	log_k	-27.8241
+	delta_h	-0	kJ
+Sb2O4
+	Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
+	log_k	3.4021
+	delta_h	-68.04	kJ
+Sb4O6(cubic)
+	Sb4O6 + 6H2O = 4Sb(OH)3
+	log_k	-18.2612
+	delta_h	61.1801	kJ
+Sb4O6(orth)
+	Sb4O6 + 6H2O = 4Sb(OH)3
+	log_k	-17.9012
+	delta_h	37.6801	kJ
+Sb(OH)3
+	Sb(OH)3 = Sb(OH)3
+	log_k	-7.1099
+	delta_h	30.1248	kJ
+Senarmontite
+	Sb2O3 + 3H2O = 2Sb(OH)3
+	log_k	-12.3654
+	delta_h	30.6478	kJ
+Valentinite
+	Sb2O3 + 3H2O = 2Sb(OH)3
+	log_k	-8.4806
+	delta_h	19.0163	kJ
+Chalcedony
+	SiO2 + 2H2O = H4SiO4
+	log_k	-3.55
+	delta_h	19.7	kJ
+Cristobalite
+	SiO2 + 2H2O = H4SiO4
+	log_k	-3.35
+	delta_h	20.006	kJ
+Quartz
+	SiO2 + 2H2O = H4SiO4
+	log_k	-4
+	delta_h	22.36	kJ
+SiO2(am-gel)
+	SiO2 + 2H2O = H4SiO4
+	log_k	-2.71
+	delta_h	14	kJ
+SiO2(am-ppt)
+	SiO2 + 2H2O = H4SiO4
+	log_k	-2.74
+	delta_h	15.15	kJ
+SnO
+	SnO + H2O = Sn(OH)2
+	log_k	-4.9141
+	delta_h	-0	kJ
+SnO2
+	SnO2 + 4H2O = Sn(OH)6-2 + 2H+
+	log_k	-28.9749
+	delta_h	-0	kJ
+Sn(OH)2
+	Sn(OH)2 = Sn(OH)2
+	log_k	-5.4309
+	delta_h	-0	kJ
+Sn(OH)4
+	Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+
+	log_k	-22.2808
+	delta_h	-0	kJ
+H2Sn(OH)6
+	H2Sn(OH)6 = Sn(OH)6-2 + 2H+
+	log_k	-23.5281
+	delta_h	-0	kJ
+Massicot
+	PbO + 2H+ = Pb+2 + H2O
+	log_k	12.894
+	delta_h	-66.848	kJ
+Litharge
+	PbO + 2H+ = Pb+2 + H2O
+	log_k	12.694
+	delta_h	-65.501	kJ
+PbO:0.3H2O
+	PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
+	log_k	12.98
+	delta_h	-0	kJ
+Plattnerite
+	PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
+	log_k	49.6001
+	delta_h	-296.27	kJ
+Pb(OH)2
+	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
+	log_k	8.15
+	delta_h	-58.5342	kJ
+Pb2O(OH)2
+	Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
+	log_k	26.188
+	delta_h	-0	kJ
+Al(OH)3(am)
+	Al(OH)3 + 3H+ = Al+3 + 3H2O
+	log_k	10.8
+	delta_h	-111	kJ
+Boehmite
+	AlOOH + 3H+ = Al+3 + 2H2O
+	log_k	8.578
+	delta_h	-117.696	kJ
+Diaspore
+	AlOOH + 3H+ = Al+3 + 2H2O
+	log_k	6.873
+	delta_h	-103.052	kJ
+Gibbsite
+	Al(OH)3 + 3H+ = Al+3 + 3H2O
+	log_k	8.291
+	delta_h	-95.3952	kJ
+Tl2O
+	Tl2O + 2H+ = 2Tl+ + H2O
+	log_k	27.0915
+	delta_h	-96.41	kJ
+TlOH
+	TlOH + H+ = Tl+ + H2O
+	log_k	12.9186
+	delta_h	-41.57	kJ
+Avicennite
+	Tl2O3 + 3H2O = 2Tl(OH)3
+	log_k	-13
+	delta_h	-0	kJ
+Tl(OH)3
+	Tl(OH)3 = Tl(OH)3
+	log_k	-5.441
+	delta_h	-0	kJ
+Zn(OH)2(am)
+	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+	log_k	12.474
+	delta_h	-80.62	kJ
+Zn(OH)2
+	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+	log_k	12.2
+	delta_h	-0	kJ
+Zn(OH)2(beta)
+	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+	log_k	11.754
+	delta_h	-83.14	kJ
+Zn(OH)2(gamma)
+	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+	log_k	11.734
+	delta_h	-0	kJ
+Zn(OH)2(epsilon)
+	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
+	log_k	11.534
+	delta_h	-81.8	kJ
+ZnO(active)
+	ZnO + 2H+ = Zn+2 + H2O
+	log_k	11.1884
+	delta_h	-88.76	kJ
+Zincite
+	ZnO + 2H+ = Zn+2 + H2O
+	log_k	11.334
+	delta_h	-89.62	kJ
+Cd(OH)2(am)
+	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
+	log_k	13.73
+	delta_h	-86.9017	kJ
+Cd(OH)2
+	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
+	log_k	13.644
+	delta_h	-94.62	kJ
+Monteponite
+	CdO + 2H+ = Cd+2 + H2O
+	log_k	15.1034
+	delta_h	-103.4	kJ
+Hg2(OH)2
+	Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
+	log_k	5.2603
+	delta_h	-0	kJ
+Montroydite
+	HgO + H2O = Hg(OH)2
+	log_k	-3.64
+	delta_h	-38.9	kJ
+Hg(OH)2
+	Hg(OH)2 = Hg(OH)2
+	log_k	-3.4963
+	delta_h	-0	kJ
+Cuprite
+	Cu2O + 2H+ = 2Cu+ + H2O
+	log_k	-1.406
+	delta_h	-124.02	kJ
+Cu(OH)2
+	Cu(OH)2 + 2H+ = Cu+2 + 2H2O
+	log_k	8.674
+	delta_h	-56.42	kJ
+Tenorite
+	CuO + 2H+ = Cu+2 + H2O
+	log_k	7.644
+	delta_h	-64.867	kJ
+Ag2O
+	Ag2O + 2H+ = 2Ag+ + H2O
+	log_k	12.574
+	delta_h	-45.62	kJ
+Ni(OH)2
+	Ni(OH)2 + 2H+ = Ni+2 + 2H2O
+	log_k	12.794
+	delta_h	-95.96	kJ
+Bunsenite
+	NiO + 2H+ = Ni+2 + H2O
+	log_k	12.4456
+	delta_h	-100.13	kJ
+CoO
+	CoO + 2H+ = Co+2 + H2O
+	log_k	13.5864
+	delta_h	-106.295	kJ
+Co(OH)2
+	Co(OH)2 + 2H+ = Co+2 + 2H2O
+	log_k	13.094
+	delta_h	-0	kJ
+Co(OH)3
+	Co(OH)3 + 3H+ = Co+3 + 3H2O
+	log_k	-2.309
+	delta_h	-92.43	kJ
+#Wustite-0.11
+#	WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O
+#	log_k	11.6879
+#	delta_h	-103.938	kJ
+Fe(OH)2
+	Fe(OH)2 + 2H+ = Fe+2 + 2H2O
+	log_k	13.564
+	delta_h	-0	kJ
+Ferrihydrite
+	Fe(OH)3 + 3H+ = Fe+3 + 3H2O
+	log_k	3.191
+	delta_h	-73.374	kJ
+Fe3(OH)8
+	Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
+	log_k	20.222
+	delta_h	-0	kJ
+Goethite
+	FeOOH + 3H+ = Fe+3 + 2H2O
+	log_k	0.491
+	delta_h	-60.5843	kJ
+Pyrolusite
+	MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
+	log_k	41.38
+	delta_h	-272	kJ
+Birnessite
+	MnO2 + 4H+ + e- = Mn+3 + 2H2O
+	log_k	18.091
+	delta_h	-0	kJ
+Nsutite
+	MnO2 + 4H+ + e- = Mn+3 + 2H2O
+	log_k	17.504
+	delta_h	-0	kJ
+Pyrochroite
+	Mn(OH)2 + 2H+ = Mn+2 + 2H2O
+	log_k	15.194
+	delta_h	-97.0099	kJ
+Manganite
+	MnOOH + 3H+ + e- = Mn+2 + 2H2O
+	log_k	25.34
+	delta_h	-0	kJ
+Cr(OH)2
+	Cr(OH)2 + 2H+ = Cr+2 + 2H2O
+	log_k	10.8189
+	delta_h	-35.6058	kJ
+Cr(OH)3(am)
+	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
+	log_k	-0.75
+	delta_h	-0	kJ
+Cr(OH)3
+	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
+	log_k	1.3355
+	delta_h	-29.7692	kJ
+CrO3
+	CrO3 + H2O = CrO4-2 + 2H+
+	log_k	-3.2105
+	delta_h	-5.2091	kJ
+MoO3
+	MoO3 + H2O = MoO4-2 + 2H+
+	log_k	-8
+	delta_h	-0	kJ
+VO
+	VO + 2H+ = V+3 + H2O + e-
+	log_k	14.7563
+	delta_h	-113.041	kJ
+V(OH)3
+	V(OH)3 + 3H+ = V+3 + 3H2O
+	log_k	7.591
+	delta_h	-0	kJ
+VO(OH)2
+	VO(OH)2 + 2H+ = VO+2 + 2H2O
+	log_k	5.1506
+	delta_h	-0	kJ
+Uraninite
+	UO2 + 4H+ = U+4 + 2H2O
+	log_k	-4.6693
+	delta_h	-77.86	kJ
+UO2(am)
+	UO2 + 4H+ = U+4 + 2H2O
+	log_k	0.934
+	delta_h	-109.746	kJ
+UO3
+	UO3 + 2H+ = UO2+2 + H2O
+	log_k	7.7
+	delta_h	-81.0299	kJ
+Gummite
+	UO3 + 2H+ = UO2+2 + H2O
+	log_k	7.6718
+	delta_h	-81.0299	kJ
+UO2(OH)2(beta)
+	UO2(OH)2 + 2H+ = UO2+2 + 2H2O
+	log_k	5.6116
+	delta_h	-56.7599	kJ
+Schoepite
+	UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
+	log_k	5.994
+	delta_h	-49.79	kJ
+Be(OH)2(am)
+	Be(OH)2 + 2H+ = Be+2 + 2H2O
+	log_k	7.194
+	delta_h	-0	kJ
+Be(OH)2(alpha)
+	Be(OH)2 + 2H+ = Be+2 + 2H2O
+	log_k	6.894
+	delta_h	-0	kJ
+Be(OH)2(beta)
+	Be(OH)2 + 2H+ = Be+2 + 2H2O
+	log_k	6.494
+	delta_h	-0	kJ
+Brucite
+	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
+	log_k	16.844
+	delta_h	-113.996	kJ
+Periclase
+	MgO + 2H+ = Mg+2 + H2O
+	log_k	21.5841
+	delta_h	-151.23	kJ
+Mg(OH)2(active)
+	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
+	log_k	18.794
+	delta_h	-0	kJ
+Lime
+	CaO + 2H+ = Ca+2 + H2O
+	log_k	32.6993
+	delta_h	-193.91	kJ
+Portlandite
+	Ca(OH)2 + 2H+ = Ca+2 + 2H2O
+	log_k	22.804
+	delta_h	-128.62	kJ
+Ba(OH)2:8H2O
+	Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O
+	log_k	24.394
+	delta_h	-54.32	kJ
+Cu(SbO3)2
+	Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
+	log_k	45.2105
+	delta_h	-0	kJ
+Arsenolite
+	As2O3 + 3H2O = 2H3AsO3
+	log_k	-1.38
+	delta_h	59.9567	kJ
+Claudetite
+	As2O3 + 3H2O = 2H3AsO3
+	log_k	-1.5325
+	delta_h	55.6054	kJ
+As2O5
+	As2O5 + 3H2O = 2H3AsO4
+	log_k	6.7061
+	delta_h	-22.64	kJ
+Pb2O3
+	Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
+	log_k	61.04
+	delta_h	-0	kJ
+Minium
+	Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
+	log_k	73.5219
+	delta_h	-421.874	kJ
+Al2O3
+	Al2O3 + 6H+ = 2Al+3 + 3H2O
+	log_k	19.6524
+	delta_h	-258.59	kJ
+Co3O4
+	Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O
+	log_k	-10.4956
+	delta_h	-107.5	kJ
+CoFe2O4
+	CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O
+	log_k	-3.5281
+	delta_h	-158.82	kJ
+Magnetite
+	Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
+	log_k	3.4028
+	delta_h	-208.526	kJ
+Hercynite
+	FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
+	log_k	22.893
+	delta_h	-313.92	kJ
+Hematite
+	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
+	log_k	-1.418
+	delta_h	-128.987	kJ
+Maghemite
+	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
+	log_k	6.386
+	delta_h	-0	kJ
+Lepidocrocite
+	FeOOH + 3H+ = Fe+3 + 2H2O
+	log_k	1.371
+	delta_h	-0	kJ
+Hausmannite
+	Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
+	log_k	61.03
+	delta_h	-421	kJ
+Bixbyite
+	Mn2O3 + 6H+ = 2Mn+3 + 3H2O
+	log_k	-0.6445
+	delta_h	-124.49	kJ
+Cr2O3
+	Cr2O3 + H2O + 2H+ = 2Cr(OH)2+
+	log_k	-2.3576
+	delta_h	-50.731	kJ
+#V2O3
+#	V2O3 + 3H+ = V+3 + 1.5H2O
+#	log_k	4.9
+#	delta_h	-82.5085	kJ
+V3O5
+	V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
+	log_k	1.8361
+	delta_h	-98.46	kJ
+#V2O4
+#	V2O4 + 2H+ = VO+2 + H2O
+#	log_k	4.27
+#	delta_h	-58.8689	kJ
+V4O7
+	V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
+	log_k	7.1865
+	delta_h	-163.89	kJ
+V6O13
+	V6O13 + 2H+ = 6VO2+ + H2O + 4e-
+	log_k	-60.86
+	delta_h	271.5	kJ
+V2O5
+	V2O5 + 2H+ = 2VO2+ + H2O
+	log_k	-1.36
+	delta_h	34	kJ
+U4O9
+	U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
+	log_k	-3.0198
+	delta_h	-426.87	kJ
+U3O8
+	U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
+	log_k	21.0834
+	delta_h	-485.44	kJ
+Spinel
+	MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
+	log_k	36.8476
+	delta_h	-388.012	kJ
+Magnesioferrite
+	Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
+	log_k	16.8597
+	delta_h	-278.92	kJ
+Natron
+	Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
+	log_k	-1.311
+	delta_h	65.8771	kJ
+Cuprousferrite
+	CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
+	log_k	-8.9171
+	delta_h	-15.89	kJ
+Cupricferrite
+	CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
+	log_k	5.9882
+	delta_h	-210.21	kJ
+FeCr2O4
+	FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
+	log_k	7.2003
+	delta_h	-140.4	kJ
+MgCr2O4
+	MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
+	log_k	16.2007
+	delta_h	-179.4	kJ
+SbF3
+	SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
+	log_k	-10.2251
+	delta_h	-6.7279	kJ
+PbF2
+	PbF2 = Pb+2 + 2F-
+	log_k	-7.44
+	delta_h	20	kJ
+ZnF2
+	ZnF2 = Zn+2 + 2F-
+	log_k	-0.5343
+	delta_h	-59.69	kJ
+CdF2
+	CdF2 = Cd+2 + 2F-
+	log_k	-1.2124
+	delta_h	-46.22	kJ
+Hg2F2
+	Hg2F2 = Hg2+2 + 2F-
+	log_k	-10.3623
+	delta_h	-18.486	kJ
+CuF
+	CuF = Cu+ + F-
+	log_k	-4.9056
+	delta_h	16.648	kJ
+CuF2
+	CuF2 = Cu+2 + 2F-
+	log_k	1.115
+	delta_h	-66.901	kJ
+CuF2:2H2O
+	CuF2:2H2O = Cu+2 + 2F- + 2H2O
+	log_k	-4.55
+	delta_h	-15.2716	kJ
+AgF:4H2O
+	AgF:4H2O = Ag+ + F- + 4H2O
+	log_k	1.0491
+	delta_h	15.4202	kJ
+CoF2
+	CoF2 = Co+2 + 2F-
+	log_k	-1.5969
+	delta_h	-57.368	kJ
+CoF3
+	CoF3 = Co+3 + 3F-
+	log_k	-1.4581
+	delta_h	-123.692	kJ
+CrF3
+	CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
+	log_k	-11.3367
+	delta_h	-23.3901	kJ
+VF4
+	VF4 + H2O = VO+2 + 4F- + 2H+
+	log_k	14.93
+	delta_h	-199.117	kJ
+UF4
+	UF4 = U+4 + 4F-
+	log_k	-29.5371
+	delta_h	-79.0776	kJ
+UF4:2.5H2O
+	UF4:2.5H2O = U+4 + 4F- + 2.5H2O
+	log_k	-32.7179
+	delta_h	24.325	kJ
+MgF2
+	MgF2 = Mg+2 + 2F-
+	log_k	-8.13
+	delta_h	-8	kJ
+Fluorite
+	CaF2 = Ca+2 + 2F-
+	log_k	-10.5
+	delta_h	8	kJ
+SrF2
+	SrF2 = Sr+2 + 2F-
+	log_k	-8.58
+	delta_h	4	kJ
+BaF2
+	BaF2 = Ba+2 + 2F-
+	log_k	-5.82
+	delta_h	4	kJ
+Cryolite
+	Na3AlF6 = 3Na+ + Al+3 + 6F-
+	log_k	-33.84
+	delta_h	38	kJ
+SbCl3
+	SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
+	log_k	0.5719
+	delta_h	-35.18	kJ
+SnCl2
+	SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl-
+	log_k	-9.2752
+	delta_h	-0	kJ
+Cotunnite
+	PbCl2 = Pb+2 + 2Cl-
+	log_k	-4.78
+	delta_h	26.166	kJ
+Matlockite
+	PbClF = Pb+2 + Cl- + F-
+	log_k	-8.9733
+	delta_h	33.19	kJ
+Phosgenite
+	PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
+	log_k	-19.81
+	delta_h	-0	kJ
+Laurionite
+	PbOHCl + H+ = Pb+2 + Cl- + H2O
+	log_k	0.623
+	delta_h	-0	kJ
+Pb2(OH)3Cl
+	Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
+	log_k	8.793
+	delta_h	-0	kJ
+TlCl
+	TlCl = Tl+ + Cl-
+	log_k	-3.74
+	delta_h	41	kJ
+ZnCl2
+	ZnCl2 = Zn+2 + 2Cl-
+	log_k	7.05
+	delta_h	-72.5	kJ
+Zn2(OH)3Cl
+	Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
+	log_k	15.191
+	delta_h	-0	kJ
+Zn5(OH)8Cl2
+	Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
+	log_k	38.5
+	delta_h	-0	kJ
+CdCl2
+	CdCl2 = Cd+2 + 2Cl-
+	log_k	-0.6588
+	delta_h	-18.58	kJ
+CdCl2:1H2O
+	CdCl2:1H2O = Cd+2 + 2Cl- + H2O
+	log_k	-1.6932
+	delta_h	-7.47	kJ
+CdCl2:2.5H2O
+	CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
+	log_k	-1.913
+	delta_h	7.2849	kJ
+CdOHCl
+	CdOHCl + H+ = Cd+2 + H2O + Cl-
+	log_k	3.5373
+	delta_h	-30.93	kJ
+Calomel
+	Hg2Cl2 = Hg2+2 + 2Cl-
+	log_k	-17.91
+	delta_h	92	kJ
+HgCl2
+	HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
+	log_k	-21.2621
+	delta_h	107.82	kJ
+Nantokite
+	CuCl = Cu+ + Cl-
+	log_k	-6.73
+	delta_h	42.662	kJ
+Melanothallite
+	CuCl2 = Cu+2 + 2Cl-
+	log_k	6.2572
+	delta_h	-63.407	kJ
+Atacamite
+	Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
+	log_k	7.391
+	delta_h	-93.43	kJ
+Cerargyrite
+	AgCl = Ag+ + Cl-
+	log_k	-9.75
+	delta_h	65.2	kJ
+CoCl2
+	CoCl2 = Co+2 + 2Cl-
+	log_k	8.2672
+	delta_h	-79.815	kJ
+CoCl2:6H2O
+	CoCl2:6H2O = Co+2 + 2Cl- + 6H2O
+	log_k	2.5365
+	delta_h	8.0598	kJ
+(Co(NH3)6)Cl3
+	(Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl-
+	log_k	20.0317
+	delta_h	-33.1	kJ
+(Co(NH3)5OH2)Cl3
+	(Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O
+	log_k	11.7351
+	delta_h	-25.37	kJ
+(Co(NH3)5Cl)Cl2
+	(Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl-
+	log_k	4.5102
+	delta_h	-10.74	kJ
+Fe(OH)2.7Cl.3
+	Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
+	log_k	-3.04
+	delta_h	-0	kJ
+MnCl2:4H2O
+	MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
+	log_k	2.7151
+	delta_h	-10.83	kJ
+CrCl2
+	CrCl2 = Cr+2 + 2Cl-
+	log_k	14.0917
+	delta_h	-110.76	kJ
+CrCl3
+	CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
+	log_k	15.1145
+	delta_h	-121.08	kJ
+VCl2
+	VCl2 = V+3 + 2Cl- + e-
+	log_k	18.8744
+	delta_h	-141.16	kJ
+VCl3
+	VCl3 = V+3 + 3Cl-
+	log_k	23.4326
+	delta_h	-179.54	kJ
+VOCl
+	VOCl + 2H+ = V+3 + Cl- + H2O
+	log_k	11.1524
+	delta_h	-104.91	kJ
+VOCl2
+	VOCl2 = VO+2 + 2Cl-
+	log_k	12.7603
+	delta_h	-117.76	kJ
+VO2Cl
+	VO2Cl = VO2+ + Cl-
+	log_k	2.8413
+	delta_h	-40.28	kJ
+Halite
+	NaCl = Na+ + Cl-
+	log_k	1.6025
+	delta_h	3.7	kJ
+SbBr3
+	SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
+	log_k	0.9689
+	delta_h	-20.94	kJ
+SnBr2
+	SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br-
+	log_k	-9.5443
+	delta_h	-0	kJ
+SnBr4
+	SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br-
+	log_k	-28.8468
+	delta_h	-0	kJ
+PbBr2
+	PbBr2 = Pb+2 + 2Br-
+	log_k	-5.3
+	delta_h	35.499	kJ
+PbBrF
+	PbBrF = Pb+2 + Br- + F-
+	log_k	-8.49
+	delta_h	-0	kJ
+TlBr
+	TlBr = Tl+ + Br-
+	log_k	-5.44
+	delta_h	54	kJ
+ZnBr2:2H2O
+	ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
+	log_k	5.2005
+	delta_h	-30.67	kJ
+CdBr2:4H2O
+	CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
+	log_k	-2.425
+	delta_h	30.5001	kJ
+Hg2Br2
+	Hg2Br2 = Hg2+2 + 2Br-
+	log_k	-22.25
+	delta_h	133	kJ
+HgBr2
+	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
+	log_k	-25.2734
+	delta_h	138.492	kJ
+CuBr
+	CuBr = Cu+ + Br-
+	log_k	-8.3
+	delta_h	54.86	kJ
+Cu2(OH)3Br
+	Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br-
+	log_k	7.9085
+	delta_h	-93.43	kJ
+Bromyrite
+	AgBr = Ag+ + Br-
+	log_k	-12.3
+	delta_h	84.5	kJ
+(Co(NH3)6)Br3
+	(Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br-
+	log_k	18.3142
+	delta_h	-21.1899	kJ
+(Co(NH3)5Cl)Br2
+	(Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br-
+	log_k	5.0295
+	delta_h	-6.4	kJ
+CrBr3
+	CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
+	log_k	19.9086
+	delta_h	-141.323	kJ
+AsI3
+	AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
+	log_k	4.2307
+	delta_h	3.15	kJ
+SbI3
+	SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
+	log_k	-0.538
+	delta_h	13.5896	kJ
+PbI2
+	PbI2 = Pb+2 + 2I-
+	log_k	-8.1
+	delta_h	62	kJ
+TlI
+	TlI = Tl+ + I-
+	log_k	-7.23
+	delta_h	75	kJ
+ZnI2
+	ZnI2 = Zn+2 + 2I-
+	log_k	7.3055
+	delta_h	-58.92	kJ
+CdI2
+	CdI2 = Cd+2 + 2I-
+	log_k	-3.5389
+	delta_h	13.82	kJ
+Hg2I2
+	Hg2I2 = Hg2+2 + 2I-
+	log_k	-28.34
+	delta_h	163	kJ
+Coccinite
+	HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I-
+	log_k	-34.9525
+	delta_h	210.72	kJ
+HgI2:2NH3
+	HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
+	log_k	-16.2293
+	delta_h	132.18	kJ
+HgI2:6NH3
+	HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
+	log_k	33.7335
+	delta_h	-90.3599	kJ
+CuI
+	CuI = Cu+ + I-
+	log_k	-12
+	delta_h	82.69	kJ
+Iodyrite
+	AgI = Ag+ + I-
+	log_k	-16.08
+	delta_h	110	kJ
+(Co(NH3)6)I3
+	(Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I-
+	log_k	16.5831
+	delta_h	-9.6999	kJ
+(Co(NH3)5Cl)I2
+	(Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I-
+	log_k	5.5981
+	delta_h	0.66	kJ
+CrI3
+	CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
+	log_k	20.4767
+	delta_h	-134.419	kJ
+Cerrusite
+	PbCO3 = Pb+2 + CO3-2
+	log_k	-13.13
+	delta_h	24.79	kJ
+Pb2OCO3
+	Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
+	log_k	-0.5578
+	delta_h	-40.8199	kJ
+Pb3O2CO3
+	Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
+	log_k	11.02
+	delta_h	-110.583	kJ
+Hydrocerrusite
+	Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2
+	log_k	-18.7705
+	delta_h	-0	kJ
+Pb10(OH)6O(CO3)6
+	Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O
+	log_k	-8.76
+	delta_h	-0	kJ
+Tl2CO3
+	Tl2CO3 = 2Tl+ + CO3-2
+	log_k	-3.8367
+	delta_h	35.49	kJ
+Smithsonite
+	ZnCO3 = Zn+2 + CO3-2
+	log_k	-10
+	delta_h	-15.84	kJ
+ZnCO3:1H2O
+	ZnCO3:1H2O = Zn+2 + CO3-2 + H2O
+	log_k	-10.26
+	delta_h	-0	kJ
+Otavite
+	CdCO3 = Cd+2 + CO3-2
+	log_k	-12
+	delta_h	-0.55	kJ
+Hg2CO3
+	Hg2CO3 = Hg2+2 + CO3-2
+	log_k	-16.05
+	delta_h	45.14	kJ
+Hg3O2CO3
+	Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2
+	log_k	-29.682
+	delta_h	-0	kJ
+CuCO3
+	CuCO3 = Cu+2 + CO3-2
+	log_k	-11.5
+	delta_h	-0	kJ
+Malachite
+	Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
+	log_k	-5.306
+	delta_h	76.38	kJ
+Azurite
+	Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
+	log_k	-16.906
+	delta_h	-95.22	kJ
+Ag2CO3
+	Ag2CO3 = 2Ag+ + CO3-2
+	log_k	-11.09
+	delta_h	42.15	kJ
+NiCO3
+	NiCO3 = Ni+2 + CO3-2
+	log_k	-6.87
+	delta_h	-41.589	kJ
+CoCO3
+	CoCO3 = Co+2 + CO3-2
+	log_k	-9.98
+	delta_h	-12.7612	kJ
+Siderite
+	FeCO3 = Fe+2 + CO3-2
+	log_k	-10.24
+	delta_h	-16	kJ
+Rhodochrosite
+	MnCO3 = Mn+2 + CO3-2
+	log_k	-10.58
+	delta_h	-1.88	kJ
+Rutherfordine
+	UO2CO3 = UO2+2 + CO3-2
+	log_k	-14.5
+	delta_h	-3.03	kJ
+Artinite
+	MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
+	log_k	9.6
+	delta_h	-120.257	kJ
+Hydromagnesite
+	Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
+	log_k	-8.766
+	delta_h	-218.447	kJ
+Magnesite
+	MgCO3 = Mg+2 + CO3-2
+	log_k	-7.46
+	delta_h	20	kJ
+Nesquehonite
+	MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
+	log_k	-4.67
+	delta_h	-24.2212	kJ
+Aragonite
+	CaCO3 = Ca+2 + CO3-2
+	log_k	-8.3
+	delta_h	-12	kJ
+Calcite
+	CaCO3 = Ca+2 + CO3-2
+	log_k	-8.48
+	delta_h	-8	kJ
+Dolomite(ordered)
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
+	log_k	-17.09
+	delta_h	-39.5	kJ
+Dolomite(disordered)
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
+	log_k	-16.54
+	delta_h	-46.4	kJ
+Huntite
+	CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
+	log_k	-29.968
+	delta_h	-107.78	kJ
+Strontianite
+	SrCO3 = Sr+2 + CO3-2
+	log_k	-9.27
+	delta_h	-0	kJ
+Witherite
+	BaCO3 = Ba+2 + CO3-2
+	log_k	-8.57
+	delta_h	4	kJ
+Thermonatrite
+	Na2CO3:H2O = 2Na+ + CO3-2 + H2O
+	log_k	0.637
+	delta_h	-10.4799	kJ
+TlNO3
+	TlNO3 = Tl+ + NO3-
+	log_k	-1.6127
+	delta_h	42.44	kJ
+Zn(NO3)2:6H2O
+	Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
+	log_k	3.3153
+	delta_h	24.5698	kJ
+Cu2(OH)3NO3
+	Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
+	log_k	9.251
+	delta_h	-72.5924	kJ
+(Co(NH3)6)(NO3)3
+	(Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3-
+	log_k	17.9343
+	delta_h	1.59	kJ
+(Co(NH3)5Cl)(NO3)2
+	(Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3-
+	log_k	6.2887
+	delta_h	6.4199	kJ
+UO2(NO3)2
+	UO2(NO3)2 = UO2+2 + 2NO3-
+	log_k	12.1476
+	delta_h	-83.3999	kJ
+UO2(NO3)2:2H2O
+	UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
+	log_k	4.851
+	delta_h	-25.355	kJ
+UO2(NO3)2:3H2O
+	UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
+	log_k	3.39
+	delta_h	-9.1599	kJ
+UO2(NO3)2:6H2O
+	UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
+	log_k	2.0464
+	delta_h	20.8201	kJ
+Pb(BO2)2
+	Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
+	log_k	6.5192
+	delta_h	-15.6119	kJ
+Zn(BO2)2
+	Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
+	log_k	8.29
+	delta_h	-0	kJ
+Cd(BO2)2
+	Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
+	log_k	9.84
+	delta_h	-0	kJ
+Co(BO2)2
+	Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3
+	log_k	27.0703
+	delta_h	-0	kJ
+SnSO4
+	SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2
+	log_k	-56.9747
+	delta_h	-0	kJ
+Sn(SO4)2
+	Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2
+	log_k	-15.2123
+	delta_h	-0	kJ
+Larnakite
+	PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
+	log_k	-0.4344
+	delta_h	-21.83	kJ
+Pb3O2SO4
+	Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
+	log_k	10.6864
+	delta_h	-79.14	kJ
+Pb4O3SO4
+	Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
+	log_k	21.8772
+	delta_h	-136.45	kJ
+Anglesite
+	PbSO4 = Pb+2 + SO4-2
+	log_k	-7.79
+	delta_h	12	kJ
+Pb4(OH)6SO4
+	Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
+	log_k	21.1
+	delta_h	-0	kJ
+AlOHSO4
+	AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
+	log_k	-3.23
+	delta_h	-0	kJ
+Al4(OH)10SO4
+	Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
+	log_k	22.7
+	delta_h	-0	kJ
+Tl2SO4
+	Tl2SO4 = 2Tl+ + SO4-2
+	log_k	-3.7868
+	delta_h	33.1799	kJ
+Zn2(OH)2SO4
+	Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
+	log_k	7.5
+	delta_h	-0	kJ
+Zn4(OH)6SO4
+	Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
+	log_k	28.4
+	delta_h	-0	kJ
+Zn3O(SO4)2
+	Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
+	log_k	18.9135
+	delta_h	-258.08	kJ
+Zincosite
+	ZnSO4 = Zn+2 + SO4-2
+	log_k	3.9297
+	delta_h	-82.586	kJ
+ZnSO4:1H2O
+	ZnSO4:1H2O = Zn+2 + SO4-2 + H2O
+	log_k	-0.638
+	delta_h	-44.0699	kJ
+Bianchite
+	ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
+	log_k	-1.765
+	delta_h	-0.6694	kJ
+Goslarite
+	ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
+	log_k	-2.0112
+	delta_h	14.21	kJ
+Cd3(OH)4SO4
+	Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
+	log_k	22.56
+	delta_h	-0	kJ
+Cd3(OH)2(SO4)2
+	Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
+	log_k	6.71
+	delta_h	-0	kJ
+Cd4(OH)6SO4
+	Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
+	log_k	28.4
+	delta_h	-0	kJ
+CdSO4
+	CdSO4 = Cd+2 + SO4-2
+	log_k	-0.1722
+	delta_h	-51.98	kJ
+CdSO4:1H2O
+	CdSO4:1H2O = Cd+2 + SO4-2 + H2O
+	log_k	-1.7261
+	delta_h	-31.5399	kJ
+CdSO4:2.67H2O
+	CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
+	log_k	-1.873
+	delta_h	-17.9912	kJ
+Hg2SO4
+	Hg2SO4 = Hg2+2 + SO4-2
+	log_k	-6.13
+	delta_h	5.4	kJ
+HgSO4
+	HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
+	log_k	-9.4189
+	delta_h	14.6858	kJ
+Cu2SO4
+	Cu2SO4 = 2Cu+ + SO4-2
+	log_k	-1.95
+	delta_h	-19.079	kJ
+Antlerite
+	Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
+	log_k	8.788
+	delta_h	-0	kJ
+Brochantite
+	Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
+	log_k	15.222
+	delta_h	-202.86	kJ
+Langite
+	Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
+	log_k	17.4886
+	delta_h	-165.55	kJ
+CuOCuSO4
+	CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
+	log_k	10.3032
+	delta_h	-137.777	kJ
+CuSO4
+	CuSO4 = Cu+2 + SO4-2
+	log_k	2.9395
+	delta_h	-73.04	kJ
+Chalcanthite
+	CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
+	log_k	-2.64
+	delta_h	6.025	kJ
+Ag2SO4
+	Ag2SO4 = 2Ag+ + SO4-2
+	log_k	-4.82
+	delta_h	17	kJ
+Ni4(OH)6SO4
+	Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
+	log_k	32
+	delta_h	-0	kJ
+Retgersite
+	NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
+	log_k	-2.04
+	delta_h	4.6024	kJ
+Morenosite
+	NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
+	log_k	-2.1449
+	delta_h	12.1802	kJ
+CoSO4
+	CoSO4 = Co+2 + SO4-2
+	log_k	2.8024
+	delta_h	-79.277	kJ
+CoSO4:6H2O
+	CoSO4:6H2O = Co+2 + SO4-2 + 6H2O
+	log_k	-2.4726
+	delta_h	1.0801	kJ
+Melanterite
+	FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
+	log_k	-2.209
+	delta_h	20.5	kJ
+Fe2(SO4)3
+	Fe2(SO4)3 = 2Fe+3 + 3SO4-2
+	log_k	-3.7343
+	delta_h	-242.028	kJ
+H-Jarosite
+	(H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
+	log_k	-12.1
+	delta_h	-230.748	kJ
+Na-Jarosite
+	NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
+	log_k	-11.2
+	delta_h	-151.377	kJ
+K-Jarosite
+	KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
+	log_k	-14.8
+	delta_h	-130.875	kJ
+MnSO4
+	MnSO4 = Mn+2 + SO4-2
+	log_k	2.5831
+	delta_h	-64.8401	kJ
+Mn2(SO4)3
+	Mn2(SO4)3 = 2Mn+3 + 3SO4-2
+	log_k	-5.711
+	delta_h	-163.427	kJ
+VOSO4
+	VOSO4 = VO+2 + SO4-2
+	log_k	3.6097
+	delta_h	-86.7401	kJ
+Epsomite
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
+	log_k	-2.1265
+	delta_h	11.5601	kJ
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	log_k	-4.36
+	delta_h	-7.2	kJ
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
+	log_k	-4.61
+	delta_h	1	kJ
+Celestite
+	SrSO4 = Sr+2 + SO4-2
+	log_k	-6.62
+	delta_h	2	kJ
+Barite
+	BaSO4 = Ba+2 + SO4-2
+	log_k	-9.98
+	delta_h	23	kJ
+Mirabilite
+	Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
+	log_k	-1.114
+	delta_h	79.4416	kJ
+Thenardite
+	Na2SO4 = 2Na+ + SO4-2
+	log_k	0.3217
+	delta_h	-9.121	kJ
+K-Alum
+	KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
+	log_k	-5.17
+	delta_h	30.2085	kJ
+Alunite
+	KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
+	log_k	-1.4
+	delta_h	-210	kJ
+(NH4)2CrO4
+	(NH4)2CrO4 = CrO4-2 + 2NH4+
+	log_k	0.4046
+	delta_h	9.163	kJ
+PbCrO4
+	PbCrO4 = Pb+2 + CrO4-2
+	log_k	-12.6
+	delta_h	44.18	kJ
+Tl2CrO4
+	Tl2CrO4 = 2Tl+ + CrO4-2
+	log_k	-12.01
+	delta_h	74.27	kJ
+Hg2CrO4
+	Hg2CrO4 = Hg2+2 + CrO4-2
+	log_k	-8.7
+	delta_h	-0	kJ
+CuCrO4
+	CuCrO4 = Cu+2 + CrO4-2
+	log_k	-5.44
+	delta_h	-0	kJ
+Ag2CrO4
+	Ag2CrO4 = 2Ag+ + CrO4-2
+	log_k	-11.59
+	delta_h	62	kJ
+MgCrO4
+	MgCrO4 = CrO4-2 + Mg+2
+	log_k	5.3801
+	delta_h	-88.9518	kJ
+CaCrO4
+	CaCrO4 = Ca+2 + CrO4-2
+	log_k	-2.2657
+	delta_h	-26.945	kJ
+SrCrO4
+	SrCrO4 = Sr+2 + CrO4-2
+	log_k	-4.65
+	delta_h	-10.1253	kJ
+BaCrO4
+	BaCrO4 = Ba+2 + CrO4-2
+	log_k	-9.67
+	delta_h	33	kJ
+Li2CrO4
+	Li2CrO4 = CrO4-2 + 2Li+
+	log_k	4.8568
+	delta_h	-45.2792	kJ
+Na2CrO4
+	Na2CrO4 = CrO4-2 + 2Na+
+	log_k	2.9302
+	delta_h	-19.6301	kJ
+Na2Cr2O7
+	Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
+	log_k	-9.8953
+	delta_h	22.1961	kJ
+K2CrO4
+	K2CrO4 = CrO4-2 + 2K+
+	log_k	-0.5134
+	delta_h	18.2699	kJ
+K2Cr2O7
+	K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
+	log_k	-17.2424
+	delta_h	80.7499	kJ
+Hg2SeO3
+	Hg2SeO3 + H+ = Hg2+2 + HSeO3-
+	log_k	-4.657
+	delta_h	-0	kJ
+HgSeO3
+	HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3-
+	log_k	-12.43
+	delta_h	-0	kJ
+Ag2SeO3
+	Ag2SeO3 + H+ = 2Ag+ + HSeO3-
+	log_k	-7.15
+	delta_h	39.68	kJ
+CuSeO3:2H2O
+	CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O
+	log_k	0.5116
+	delta_h	-36.861	kJ
+NiSeO3:2H2O
+	NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
+	log_k	2.8147
+	delta_h	-31.0034	kJ
+CoSeO3
+	CoSeO3 + H+ = Co+2 + HSeO3-
+	log_k	1.32
+	delta_h	-0	kJ
+Fe2(SeO3)3:2H2O
+	Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
+	log_k	-20.6262
+	delta_h	-0	kJ
+Fe2(OH)4SeO3
+	Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
+	log_k	1.5539
+	delta_h	-0	kJ
+MnSeO3
+	MnSeO3 + H+ = Mn+2 + HSeO3-
+	log_k	1.13
+	delta_h	-0	kJ
+MnSeO3:2H2O
+	MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
+	log_k	0.9822
+	delta_h	8.4935	kJ
+MgSeO3:6H2O
+	MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O
+	log_k	3.0554
+	delta_h	5.23	kJ
+CaSeO3:2H2O
+	CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
+	log_k	2.8139
+	delta_h	-19.4556	kJ
+SrSeO3
+	SrSeO3 + H+ = Sr+2 + HSeO3-
+	log_k	2.3
+	delta_h	-0	kJ
+BaSeO3
+	BaSeO3 + H+ = Ba+2 + HSeO3-
+	log_k	1.83
+	delta_h	11.98	kJ
+Na2SeO3:5H2O
+	Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O
+	log_k	10.3
+	delta_h	-0	kJ
+PbSeO4
+	PbSeO4 = Pb+2 + SeO4-2
+	log_k	-6.84
+	delta_h	15	kJ
+Tl2SeO4
+	Tl2SeO4 = 2Tl+ + SeO4-2
+	log_k	-4.1
+	delta_h	43	kJ
+ZnSeO4:6H2O
+	ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O
+	log_k	-1.52
+	delta_h	-0	kJ
+CdSeO4:2H2O
+	CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O
+	log_k	-1.85
+	delta_h	-0	kJ
+Ag2SeO4
+	Ag2SeO4 = 2Ag+ + SeO4-2
+	log_k	-8.91
+	delta_h	-43.5	kJ
+CuSeO4:5H2O
+	CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O
+	log_k	-2.44
+	delta_h	-0	kJ
+NiSeO4:6H2O
+	NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O
+	log_k	-1.52
+	delta_h	-0	kJ
+CoSeO4:6H2O
+	CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O
+	log_k	-1.53
+	delta_h	-0	kJ
+MnSeO4:5H2O
+	MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O
+	log_k	-2.05
+	delta_h	-0	kJ
+UO2SeO4:4H2O
+	UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O
+	log_k	-2.25
+	delta_h	-0	kJ
+MgSeO4:6H2O
+	MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O
+	log_k	-1.2
+	delta_h	-0	kJ
+CaSeO4:2H2O
+	CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O
+	log_k	-3.02
+	delta_h	-8.3	kJ
+SrSeO4
+	SrSeO4 = Sr+2 + SeO4-2
+	log_k	-4.4
+	delta_h	0.4	kJ
+BaSeO4
+	BaSeO4 = Ba+2 + SeO4-2
+	log_k	-7.46
+	delta_h	22	kJ
+BeSeO4:4H2O
+	BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O
+	log_k	-2.94
+	delta_h	-0	kJ
+Na2SeO4
+	Na2SeO4 = 2Na+ + SeO4-2
+	log_k	1.28
+	delta_h	-0	kJ
+K2SeO4
+	K2SeO4 = 2K+ + SeO4-2
+	log_k	-0.73
+	delta_h	-0	kJ
+(NH4)2SeO4
+	(NH4)2SeO4 = 2NH4+ + SeO4-2
+	log_k	0.45
+	delta_h	-0	kJ
+H2MoO4
+	H2MoO4 = MoO4-2 + 2H+
+	log_k	-12.8765
+	delta_h	49	kJ
+PbMoO4
+	PbMoO4 = Pb+2 + MoO4-2
+	log_k	-15.62
+	delta_h	53.93	kJ
+Al2(MoO4)3
+	Al2(MoO4)3 = 3MoO4-2 + 2Al+3
+	log_k	2.3675
+	delta_h	-260.8	kJ
+Tl2MoO4
+	Tl2MoO4 = MoO4-2 + 2Tl+
+	log_k	-7.9887
+	delta_h	-0	kJ
+ZnMoO4
+	ZnMoO4 = MoO4-2 + Zn+2
+	log_k	-10.1254
+	delta_h	-10.6901	kJ
+CdMoO4
+	CdMoO4 = MoO4-2 + Cd+2
+	log_k	-14.1497
+	delta_h	19.48	kJ
+CuMoO4
+	CuMoO4 = MoO4-2 + Cu+2
+	log_k	-13.0762
+	delta_h	12.2	kJ
+Ag2MoO4
+	Ag2MoO4 = 2Ag+ + MoO4-2
+	log_k	-11.55
+	delta_h	52.7	kJ
+NiMoO4
+	NiMoO4 = MoO4-2 + Ni+2
+	log_k	-11.1421
+	delta_h	1.3	kJ
+CoMoO4
+	CoMoO4 = MoO4-2 + Co+2
+	log_k	-7.7609
+	delta_h	-23.3999	kJ
+FeMoO4
+	FeMoO4 = MoO4-2 + Fe+2
+	log_k	-10.091
+	delta_h	-11.1	kJ
+BeMoO4
+	BeMoO4 = MoO4-2 + Be+2
+	log_k	-1.7817
+	delta_h	-56.4	kJ
+MgMoO4
+	MgMoO4 = Mg+2 + MoO4-2
+	log_k	-1.85
+	delta_h	-0	kJ
+CaMoO4
+	CaMoO4 = Ca+2 + MoO4-2
+	log_k	-7.95
+	delta_h	-2	kJ
+BaMoO4
+	BaMoO4 = MoO4-2 + Ba+2
+	log_k	-6.9603
+	delta_h	10.96	kJ
+Li2MoO4
+	Li2MoO4 = MoO4-2 + 2Li+
+	log_k	2.4416
+	delta_h	-33.9399	kJ
+Na2MoO4
+	Na2MoO4 = MoO4-2 + 2Na+
+	log_k	1.4901
+	delta_h	-9.98	kJ
+Na2MoO4:2H2O
+	Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O
+	log_k	1.224
+	delta_h	-0	kJ
+Na2Mo2O7
+	Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+
+	log_k	-16.5966
+	delta_h	56.2502	kJ
+K2MoO4
+	K2MoO4 = MoO4-2 + 2K+
+	log_k	3.2619
+	delta_h	-3.38	kJ
+PbHPO4
+	PbHPO4 = Pb+2 + H+ + PO4-3
+	log_k	-23.805
+	delta_h	-0	kJ
+Pb3(PO4)2
+	Pb3(PO4)2 = 3Pb+2 + 2PO4-3
+	log_k	-43.53
+	delta_h	-0	kJ
+Pyromorphite
+	Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
+	log_k	-84.43
+	delta_h	-0	kJ
+Hydroxylpyromorphite
+	Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
+	log_k	-62.79
+	delta_h	-0	kJ
+Plumbgummite
+	PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
+	log_k	-32.79
+	delta_h	-0	kJ
+Hinsdalite
+	PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
+	log_k	-2.5
+	delta_h	-0	kJ
+Tsumebite
+	Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
+	log_k	-9.79
+	delta_h	-0	kJ
+Zn3(PO4)2:4H2O
+	Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
+	log_k	-35.42
+	delta_h	-0	kJ
+Cd3(PO4)2
+	Cd3(PO4)2 = 3Cd+2 + 2PO4-3
+	log_k	-32.6
+	delta_h	-0	kJ
+Hg2HPO4
+	Hg2HPO4 = Hg2+2 + H+ + PO4-3
+	log_k	-24.775
+	delta_h	-0	kJ
+Cu3(PO4)2
+	Cu3(PO4)2 = 3Cu+2 + 2PO4-3
+	log_k	-36.85
+	delta_h	-0	kJ
+Cu3(PO4)2:3H2O
+	Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
+	log_k	-35.12
+	delta_h	-0	kJ
+Ag3PO4
+	Ag3PO4 = 3Ag+ + PO4-3
+	log_k	-17.59
+	delta_h	-0	kJ
+Ni3(PO4)2
+	Ni3(PO4)2 = 3Ni+2 + 2PO4-3
+	log_k	-31.3
+	delta_h	-0	kJ
+CoHPO4
+	CoHPO4 = Co+2 + PO4-3 + H+
+	log_k	-19.0607
+	delta_h	-0	kJ
+Co3(PO4)2
+	Co3(PO4)2 = 3Co+2 + 2PO4-3
+	log_k	-34.6877
+	delta_h	-0	kJ
+Vivianite
+	Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
+	log_k	-36
+	delta_h	-0	kJ
+Strengite
+	FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
+	log_k	-26.4
+	delta_h	-9.3601	kJ
+Mn3(PO4)2
+	Mn3(PO4)2 = 3Mn+2 + 2PO4-3
+	log_k	-23.827
+	delta_h	8.8701	kJ
+MnHPO4
+	MnHPO4 = Mn+2 + PO4-3 + H+
+	log_k	-25.4
+	delta_h	-0	kJ
+(VO)3(PO4)2
+	(VO)3(PO4)2 = 3VO+2 + 2PO4-3
+	log_k	-25.1
+	delta_h	-0	kJ
+Mg3(PO4)2
+	Mg3(PO4)2 = 3Mg+2 + 2PO4-3
+	log_k	-23.28
+	delta_h	-0	kJ
+MgHPO4:3H2O
+	MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O
+	log_k	-18.175
+	delta_h	-0	kJ
+FCO3Apatite
+	Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
+	log_k	-114.4
+	delta_h	164.808	kJ
+Hydroxylapatite
+	Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
+	log_k	-44.333
+	delta_h	-0	kJ
+CaHPO4:2H2O
+	CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O
+	log_k	-18.995
+	delta_h	23	kJ
+CaHPO4
+	CaHPO4 = Ca+2 + H+ + PO4-3
+	log_k	-19.275
+	delta_h	31	kJ
+Ca3(PO4)2(beta)
+	Ca3(PO4)2 = 3Ca+2 + 2PO4-3
+	log_k	-28.92
+	delta_h	54	kJ
+Ca4H(PO4)3:3H2O
+	Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O
+	log_k	-47.08
+	delta_h	-0	kJ
+SrHPO4
+	SrHPO4 = Sr+2 + H+ + PO4-3
+	log_k	-19.295
+	delta_h	-0	kJ
+BaHPO4
+	BaHPO4 = Ba+2 + H+ + PO4-3
+	log_k	-19.775
+	delta_h	-0	kJ
+U(HPO4)2:4H2O
+	U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
+	log_k	-51.584
+	delta_h	16.0666	kJ
+(UO2)3(PO4)2
+	(UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
+	log_k	-49.4
+	delta_h	397.062	kJ
+UO2HPO4
+	UO2HPO4 = UO2+2 + H+ + PO4-3
+	log_k	-24.225
+	delta_h	-0	kJ
+Uramphite
+	(NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
+	log_k	-51.749
+	delta_h	40.5848	kJ
+Przhevalskite
+	Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
+	log_k	-44.365
+	delta_h	-46.024	kJ
+Torbernite
+	Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
+	log_k	-45.279
+	delta_h	-66.5256	kJ
+Bassetite
+	Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
+	log_k	-44.485
+	delta_h	-83.2616	kJ
+Saleeite
+	Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
+	log_k	-43.646
+	delta_h	-84.4331	kJ
+Ningyoite
+	CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
+	log_k	-53.906
+	delta_h	-9.4977	kJ
+H-Autunite
+	H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3
+	log_k	-47.931
+	delta_h	-15.0624	kJ
+Autunite
+	Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
+	log_k	-43.927
+	delta_h	-59.9986	kJ
+Sr-Autunite
+	Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
+	log_k	-44.457
+	delta_h	-54.6012	kJ
+Na-Autunite
+	Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3
+	log_k	-47.409
+	delta_h	-1.9246	kJ
+K-Autunite
+	K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3
+	log_k	-48.244
+	delta_h	24.5182	kJ
+Uranocircite
+	Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
+	log_k	-44.631
+	delta_h	-42.2584	kJ
+Pb3(AsO4)2
+	Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
+	log_k	5.8
+	delta_h	-0	kJ
+AlAsO4:2H2O
+	AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
+	log_k	4.8
+	delta_h	-0	kJ
+Zn3(AsO4)2:2.5H2O
+	Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
+	log_k	13.65
+	delta_h	-0	kJ
+Cu3(AsO4)2:2H2O
+	Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O
+	log_k	6.1
+	delta_h	-0	kJ
+Ag3AsO3
+	Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3
+	log_k	2.1573
+	delta_h	-0	kJ
+Ag3AsO4
+	Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4
+	log_k	-2.7867
+	delta_h	-0	kJ
+Ni3(AsO4)2:8H2O
+	Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
+	log_k	15.7
+	delta_h	-0	kJ
+Co3(AsO4)2
+	Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4
+	log_k	13.0341
+	delta_h	-0	kJ
+FeAsO4:2H2O
+	FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
+	log_k	0.4
+	delta_h	-0	kJ
+Mn3(AsO4)2:8H2O
+	Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
+	log_k	12.5
+	delta_h	-0	kJ
+Ca3(AsO4)2:4H2O
+	Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O
+	log_k	22.3
+	delta_h	-0	kJ
+Ba3(AsO4)2
+	Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
+	log_k	-8.91
+	delta_h	11.0458	kJ
+#NH4VO3
+#	NH4VO3 + 2H+ = 2VO2+ + H2O
+#	log_k	3.8
+#	delta_h	30	kJ
+Pb3(VO4)2
+	Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O
+	log_k	6.14
+	delta_h	-72.6342	kJ
+Pb2V2O7
+	Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O
+	log_k	-1.9
+	delta_h	-26.945	kJ
+AgVO3
+	AgVO3 + 2H+ = Ag+ + VO2+ + H2O
+	log_k	0.77
+	delta_h	-0	kJ
+Ag2HVO4
+	Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
+	log_k	1.48
+	delta_h	-0	kJ
+Ag3H2VO5
+	Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
+	log_k	5.18
+	delta_h	-0	kJ
+Fe(VO3)2
+	Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O
+	log_k	-3.72
+	delta_h	-61.6722	kJ
+Mn(VO3)2
+	Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O
+	log_k	4.9
+	delta_h	-92.4664	kJ
+Mg(VO3)2
+	Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O
+	log_k	11.28
+	delta_h	-136.649	kJ
+Mg2V2O7
+	Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O
+	log_k	26.36
+	delta_h	-255.224	kJ
+Carnotite
+	KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
+	log_k	0.23
+	delta_h	-36.4008	kJ
+Tyuyamunite
+	Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O
+	log_k	4.08
+	delta_h	-153.134	kJ
+Ca(VO3)2
+	Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O
+	log_k	5.66
+	delta_h	-84.7678	kJ
+Ca3(VO4)2
+	Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O
+	log_k	38.96
+	delta_h	-293.466	kJ
+Ca2V2O7
+	Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O
+	log_k	17.5
+	delta_h	-159.494	kJ
+Ca3(VO4)2:4H2O
+	Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O
+	log_k	39.86
+	delta_h	-0	kJ
+Ca2V2O7:2H2O
+	Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O
+	log_k	21.552
+	delta_h	-0	kJ
+Ba3(VO4)2:4H2O
+	Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O
+	log_k	32.94
+	delta_h	-0	kJ
+Ba2V2O7:2H2O
+	Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O
+	log_k	15.872
+	delta_h	-0	kJ
+NaVO3
+	NaVO3 + 2H+ = Na+ + VO2+ + H2O
+	log_k	3.8582
+	delta_h	-30.1799	kJ
+Na3VO4
+	Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
+	log_k	36.6812
+	delta_h	-184.61	kJ
+Na4V2O7
+	Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O
+	log_k	37.4
+	delta_h	-201.083	kJ
+Halloysite
+	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
+	log_k	9.5749
+	delta_h	-181.43	kJ
+Kaolinite
+	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
+	log_k	7.435
+	delta_h	-148	kJ
+Greenalite
+	Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
+	log_k	20.81
+	delta_h	-0	kJ
+Chrysotile
+	Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
+	log_k	32.2
+	delta_h	-196	kJ
+Sepiolite
+	Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4
+	log_k	15.76
+	delta_h	-114.089	kJ
+Sepiolite(A)
+	Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
+	log_k	18.78
+	delta_h	-0	kJ
+PHASES
+O2(g)
+	O2 + 4H+ + 4e- = 2H2O
+	log_k	83.0894
+	delta_h	-571.66	kJ
+CH4(g)
+	CH4 + 3H2O = CO3-2 + 8e- + 10H+
+	log_k	-41.0452
+	delta_h	257.133	kJ
+CO2(g)
+	CO2 + H2O = 2H+ + CO3-2
+	log_k	-18.147
+	delta_h	4.06	kJ
+H2S(g)
+	H2S = H+ + HS-
+	log_k	-8.01
+	delta_h	-0	kJ
+H2Se(g)
+	H2Se = HSe- + H+
+	log_k	-4.96
+	delta_h	-15.3	kJ
+Hg(g)
+	Hg = 0.5Hg2+2 + e-
+	log_k	-7.8733
+	delta_h	22.055	kJ
+Hg2(g)
+	Hg2 = Hg2+2 + 2e-
+	log_k	-14.9554
+	delta_h	58.07	kJ
+Hg(CH3)2(g)
+	Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
+	log_k	-73.7066
+	delta_h	481.99	kJ
+HgF(g)
+	HgF = 0.5Hg2+2 + F-
+	log_k	32.6756
+	delta_h	-254.844	kJ
+HgF2(g)
+	HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
+	log_k	12.5652
+	delta_h	-165.186	kJ
+HgCl(g)
+	HgCl = 0.5Hg2+2 + Cl-
+	log_k	19.4966
+	delta_h	-162.095	kJ
+HgBr(g)
+	HgBr = 0.5Hg2+2 + Br-
+	log_k	16.7566
+	delta_h	-142.157	kJ
+HgBr2(g)
+	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
+	log_k	-18.3881
+	delta_h	54.494	kJ
+HgI(g)
+	HgI = 0.5Hg2+2 + I-
+	log_k	11.3322
+	delta_h	-106.815	kJ
+HgI2(g)
+	HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
+	log_k	-27.2259
+	delta_h	114.429	kJ
+#
+#
+SURFACE_MASTER_SPECIES
+        Goe_uni      Goe_uniOH-0.5     # =FeO site on goethite 
+        Goe_tri      Goe_triO-0.5      # =Fe3O site on goethite
+        Hfocd_uni    Hfocd_uniOH-0.5   # =FeO site on HFO
+        Hfocd_tri    Hfocd_triO-0.5    # =Fe3O site on HFO
+SURFACE_SPECIES
+#
+# Goethite
+#
+        Goe_triO-0.5  = Goe_triO-0.5
+             -cd_music  0 0 0 0 0
+             log_k 0
+        Goe_triO-0.5 + H+ = Goe_triOH+0.5
+             -cd_music  1 0 0 0 0
+             log_k    9.20
+        Goe_uniOH-0.5 = Goe_uniOH-0.5
+             -cd_music  0 0 0 0 0
+             log_k 0
+        Goe_uniOH-0.5 + H+ = Goe_uniOH2+0.5
+             -cd_music  1 0 0 0 0
+             log_k    9.20
+# Na+
+        Goe_triO-0.5 + Na+ = Goe_triONa+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -0.60
+        Goe_uniOH-0.5 + Na+ = Goe_uniOHNa+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -0.60
+# K+
+        Goe_triO-0.5 + K+ = Goe_triOK+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -1.71
+        Goe_uniOH-0.5 + K+ = Goe_uniOHK+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -1.71
+# Cl-
+        Goe_uniOH-0.5 + H+ + Cl- = Goe_uniOH2Cl-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.76
+        Goe_triO-0.5 + H+ + Cl- = Goe_triOHCl-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.76
+# NO3-
+        Goe_triO-0.5 + H+ + NO3- = Goe_triOHNO3-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.52
+        Goe_uniOH-0.5 + H+ + NO3- = Goe_uniOH2NO3-0.5
+             log_k    8.52
+             -cd_music  1 -1 0 0 0
+# Ca+2
+        Goe_triO-0.5 + Ca+2 = Goe_triOCa+1.5
+             log_k      3.00
+             -cd_music  0.0  2.0  0 0 0
+        Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
+             log_k      3.00
+             -cd_music  0.0  2.0  0 0 0
+        Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
+             log_k      3.65
+             -cd_music  0.32  1.68  0 0 0
+        Goe_uniOH-0.5 + Ca+2 + H2O = Goe_uniOHCaOH+0.5 + H+
+             log_k      -9.25
+             -cd_music  0.32  0.68  0 0 0
+# Mg+2
+        2Goe_uniOH-0.5 + Mg+2 = (Goe_uniOH)2Mg+
+             log_k      4.90
+             -cd_music  0.71  1.29  0 0 0
+        2Goe_uniOH-0.5 + Mg+2 + H2O = (Goe_uniOH)2MgOH + H+
+             log_k      -6.47
+             -cd_music  0.71  0.29  0 0 0
+# CO3-2
+        2Goe_uniOH-0.5 + 2H+ + CO3-2 = (Goe_uniO)2CO- + 2H2O
+             log_k      22.33
+             -cd_music  0.68  -0.68  0 0 0
+# PO4-3
+        Goe_uniOH-0.5 + 2H+ + PO4-3 = Goe_uniOPO2OH-1.5 + H2O
+             log_k      27.65
+             -cd_music  0.28 -1.28 0 0 0
+        2Goe_uniOH-0.5 + 2H+ + PO4-3 = (Goe_uniO)2PO2-2 + 2H2O
+             log_k      29.77
+             -cd_music  0.46  -1.46  0 0 0
+# H3AsO3
+        Goe_uniOH-0.5 + H3AsO3 = Goe_uniOAs(OH)2-0.5 + H2O
+             log_k     4.33	# Stachowicz et al 2006
+             -cd_music  0.16  -0.16 0 0 0
+        2Goe_uniOH-0.5 + H3AsO3 = (Goe_uniO)2AsOH- + 2H2O
+             log_k     6.99	# Stachowicz et al 2006
+             -cd_music  0.34 -0.34 0 0 0
+# AsO4-3
+        Goe_uniOH-0.5 + 2H+ + AsO4-3 = Goe_uniOAsO2OH-1.5 + H2O
+             log_k     25.88
+             -cd_music  0.30 -1.30 0 0 0
+        2Goe_uniOH-0.5 + 2H+ + AsO4-3 = (Goe_uniO)2AsO2-2 + 2H2O
+             log_k     29.41
+             -cd_music  0.47  -1.47  0 0 0
+        2Goe_uniOH-0.5 + 3H+ + AsO4-3 = (Goe_uniO)2AsOOH- + 2H2O
+             log_k     33.72
+             -cd_music  0.58 -0.58 0 0 0
+# H3BO3
+        Goe_uniOH-0.5 + H3BO3 = Goe_uniOBH2O2-0.5 + H2O
+             log_k     1.99
+             -cd_music  0.16 -0.16 0 0 0
+	 Goe_uniOH-0.5 + H3BO3 = Goe_uniOH3BO3-1.5 + H+
+             log_k     -8.31
+             -cd_music  0.16 -0.16 0 0 0
+# CrO4-2
+        Goe_uniOH-0.5 + H+ + CrO4-2 = Goe_uniOCrO3-1.5 + H2O   
+             log_k    12.45          
+             -cd_music  0.5  -1.5 0 0 0   
+# MoO4-2
+        Goe_uniOH-0.5 + 2H+ + MoO4-2 + H2O = Goe_uniOMo(OH)5-0.5
+             log_k     18.25
+             -cd_music  0.5  -0.5 0 0 0  # RH99
+        Goe_uniOH-0.5 + H+ + MoO4-2 = Goe_uniOMoO3-1.5 + H2O
+             log_k     12.28
+             -cd_music  0.5  -1.5 0 0 0  # RH99
+# SO4-2
+        Goe_uniOH-0.5 + H+ + SO4-2 = Goe_uniSO4-1.5 + H2O
+             log_k     9.21
+             -cd_music  0.65 -1.65 0 0 0  # RH99
+        2Goe_uniOH-0.5 + 2H+ +SO4-2 = Goe_uni2SO4- + 2H2O
+             log_k     19.01
+             -cd_music  1.5 -0.5  0 0 0
+        Goe_uniOH-0.5 + 2H+ + SO4-2 = Goe_uniSO4H-0.5 + H2O
+             log_k     3.97
+             -cd_music  1.5 -0.5 0 0 0  # RH99
+        2Goe_uniOH-0.5 + 3H+ +SO4-2 = Goe_uni2SO4H + 2H2O
+             log_k     19.00
+             -cd_music  1  0  0 0 0
+# Sb(OH)3
+        Goe_uniOH-0.5 + Sb(OH)3 = Goe_uniOSb(OH)2-0.5 + H2O   
+             log_k     15.55         
+             -cd_music  0.16  -0.16 0 0 0  
+        2Goe_uniOH-0.5 + Sb(OH)3 = Goe_uni2O2Sb(OH)- + 2H2O   
+             log_k     25.22           
+             -cd_music  0.34 -0.34 0 0 0
+# Sb(OH)6-
+        Goe_uniOH-0.5 + Sb(OH)6- = Goe_uniOSb(OH)5-1.5 + H2O   
+             log_k     6.66         
+             -cd_music  0.84  -1.83 0 0 0  
+        2Goe_uniOH-0.5 + Sb(OH)6- = Goe_uni2O2Sb(OH)4-2 + 2H2O  
+             log_k     -7.80           
+             -cd_music  1.67 -2.66 0 0 0
+# HSeO3-
+        2Goe_uniOH-0.5 + H+ + HSeO3- = Goe_uni2SeO3- + 2H2O 
+             log_k     4.33         
+             -cd_music  0.72 -0.72 0 0 0 
+        2Goe_uniOH-0.5 + 2H+ + HSeO3- = Goe_uni2HSeO3 + 2H2O   
+             log_k     9.46           
+             -cd_music  1.03 -0.03 0 0 0
+        Goe_uniOH-0.5 + H+ + HSeO3- = Goe_uniSeO3H-0.5 + H2O    
+             log_k     6.85           
+            -cd_music  0.43 -0.43 0 0 0
+        Goe_uniOH-0.5 + HSeO3- = Goe_uniSeO3-1.5 + H2O    
+             log_k     2.29           
+             -cd_music  0.20 -1.20 0 0 0
+# SeO4-2
+        Goe_uniOH-0.5 + H+ + SeO4-2 = Goe_uniSeO4-1.5 + H2O         
+             log_k     10.48         
+             -cd_music  0.50 -1.50 0 0 0 
+        2Goe_uniOH-0.5 + SeO4-2 + 2H+ = Goe_uni2SeO4- + 2H2O
+             log_k     -5.84           
+             -cd_music  1. -1.  0 0 0
+        Goe_uniOH-0.5 + 2H+ + SeO4-2 = Goe_uniOH2SeO4H-0.5          
+             log_k     -2.19         
+             -cd_music  0.50 -0.50 0 0 0  
+#
+# HFO
+#
+        Hfocd_triO-0.5  = Hfocd_triO-0.5
+             -cd_music  0 0 0 0 0
+             log_k 0
+        Hfocd_triO-0.5 + H+ = Hfocd_triOH+0.5
+             -cd_music  1 0 0 0 0
+             log_k    9.20
+        Hfocd_uniOH-0.5 = Hfocd_uniOH-0.5
+             -cd_music  0 0 0 0 0
+             log_k 0
+        Hfocd_uniOH-0.5 + H+ = Hfocd_uniOH2+0.5
+             -cd_music  1 0 0 0 0
+             log_k    9.20
+# Na+
+        Hfocd_triO-0.5 + Na+ = Hfocd_triONa+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -0.60
+        Hfocd_uniOH-0.5 + Na+ = Hfocd_uniOHNa+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -0.60
+# K+
+        Hfocd_triO-0.5 + K+ = Hfocd_triOK+0.5
+             -cd_music  0 1 0 0 0
+             log_k    -1.71
+        Hfocd_uniOH-0.5 + K+ = Hfocd_uniOHK+0.5
+             -cd_music  0 1 0 0 0
+             log_k    1.71
+# Cl-
+        Hfocd_triO-0.5 + H+ + Cl- = Hfocd_triOHCl-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.76
+        Hfocd_uniOH-0.5 + H+ + Cl- = Hfocd_uniOH2Cl-0.5
+            -cd_music  1 -1 0 0 0
+            log_k    8.76
+# NO3-
+        Hfocd_triO-0.5 + H+ + NO3- = Hfocd_triOHNO3-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.52
+        Hfocd_uniOH-0.5 + H+ + NO3- = Hfocd_uniOH2NO3-0.5
+             -cd_music  1 -1 0 0 0
+             log_k    8.52
+# Ca+2
+        Hfocd_triO-0.5 + Ca+2 = Hfocd_triOCa+1.5
+             log_k      3.00
+             -cd_music  0.0  2.0  0 0 0
+        Hfocd_uniOH-0.5 + Ca+2 = Hfocd_uniOHCa+1.5
+             log_k      3.00
+             -cd_music  0.0  2.0  0 0 0
+        Hfocd_uniOH-0.5 + Ca+2 = Hfocd_uniOHCa+1.5
+             log_k      3.65
+             -cd_music  0.32  1.68  0 0 0
+        Hfocd_uniOH-0.5 + Ca+2 + H2O = Hfocd_uniOHCaOH+0.5 + H+
+             log_k      -9.25
+             -cd_music  0.32  1.68  0 0 0
+# Mg+2
+        2Hfocd_uniOH-0.5 + Mg+2 = (Hfocd_uniOH)2Mg+
+             log_k      4.90
+             -cd_music  0.71  1.29  0 0 0
+        2Hfocd_uniOH-0.5 + Mg+2 + H2O = (Hfocd_uniOH)2MgOH + H+
+             log_k      -6.47
+             -cd_music  0.71  1.29  0 0 0
+# CO3-2
+        2Hfocd_uniOH-0.5 + 2H+ + CO3-2 = (Hfocd_uniO)2CO- + 2H2O
+             log_k     22.33
+             -cd_music  0.68  -0.68  0 0 0
+# H3AsO3
+        Hfocd_uniOH-0.5 + H3AsO3 = Hfocd_uniOAs(OH)2-0.5 + H2O
+              log_k     5.31
+             -cd_music  0.16  -0.16 0 0 0
+
+        2Hfocd_uniOH-0.5 + H3AsO3 = (Hfocd_uniO)2AsOH- + 2H2O
+              log_k     5.89
+             -cd_music  0.34 -0.34 0 0 0
+# AsO4-3
+        Hfocd_uniOH-0.5 + 2H+ + AsO4-3 = Hfocd_uniOAsO2OH-1.5 + H2O
+             log_k     25.83
+             -cd_music  0.30 -1.30 0 0 0
+        2Hfocd_uniOH-0.5 + 2H+ + AsO4-3 = (Hfocd_uniO)2AsO2-2 + 2H2O
+             log_k     28.11
+             -cd_music  0.47  -1.47  0 0 0
+        2Hfocd_uniOH-0.5 + 3H+ + AsO4-3 = (Hfocd_uniO)2AsOOH- + 2H2O
+             log_k     33.41
+             -cd_music  0.58 -0.58 0 0 0
+# H3BO3
+        Hfocd_uniOH-0.5 + H3BO3 = Hfocd_uniOBH2O2-0.5 + H2O
+             log_k     1.92
+             -cd_music  0.16 -0.16 0 0 0
+        Hfocd_uniOH-0.5 + H3BO3 = Hfocd_uniOH3BO3-1.5 + H+
+             log_k     -8.10
+             -cd_music  0.16 -0.16 0 0 0
+# CrO4-2
+        Hfocd_uniOH-0.5 + H+ + CrO4-2 = Hfocd_uniOCrO3-1.5 + H2O   
+             log_k   11.11        
+             -cd_music  0.5  -1.5 0 0 0  
+# MoO4-2
+        Hfocd_uniOH-0.5 + 2H+ + MoO4-2 + H2O = Hfocd_uniOMo(OH)5-0.5
+             log_k     14.94
+             -cd_music  0.5  -0.5 0 0 0  # RH99
+        Hfocd_uniOH-0.5 + H+ + MoO4-2 = Hfocd_uniOMoO3-1.5 + H2O
+             log_k     11.38
+             -cd_music  0.5  -1.5 0 0 0  # RH99
+# SO4-2
+        Hfocd_uniOH-0.5 + H+ + SO4-2 = Hfocd_uniSO4-1.5 + H2O
+             log_k     2.77
+             -cd_music  0.65 -1.65 0 0 0  # RH99
+        2Hfocd_uniOH-0.5 + 2H+ +SO4-2 = Hfocd_uni2SO4- + 2H2O
+             log_k     0.20
+             -cd_music  1.5 -0.5  0 0 0
+        Hfocd_uniOH-0.5 + 2H+ + SO4-2 = Hfocd_uniSO4H-0.5 + H2O
+             log_k     4.12
+             -cd_music  1.5 -0.5 0 0 0  # RH99  
+        2Hfocd_uniOH-0.5 + 3H+ +SO4-2 = Hfocd_uni2SO4H + 2H2O
+             log_k     17.68
+             -cd_music  1  0  0 0 0
+# Sb(OH)6-
+        Hfocd_uniOH-0.5 + Sb(OH)6- = Hfocd_uniOSb(OH)5-1.5 + H2O   
+             log_k     9.75         
+             -cd_music  0.84  -1.83 0 0 0  
+        2Hfocd_uniOH-0.5 + Sb(OH)6- = Hfocd_uni2O2Sb(OH)4-2 + 2H2O  
+             log_k     -0.21           
+             -cd_music  1.67 -2.66 0 0 0
+# HSeO3-
+        2Hfocd_uniOH-0.5 + H+ + HSeO3- = Hfocd_uni2SeO3- + 2H2O   
+             log_k     9.61         
+             -cd_music  0.72 -0.72 0 0 0 
+        2Hfocd_uniOH-0.5 + 2H+ + HSeO3- = Hfocd_uni2HSeO3 + 2H2O   
+             log_k     15.15           
+             -cd_music  1.03 -0.03 0 0 0
+        Hfocd_uniOH-0.5 + H+ + HSeO3- = Hfocd_uniSeO3H-0.5 + H2O    
+             log_k     5.00           
+             -cd_music  0.43 -0.43 0 0 0
+        Hfocd_uniOH-0.5 + HSeO3- = Hfocd_uniSeO3-1.5 + H2O    
+             log_k     5.00           
+             -cd_music  0.20 -1.20 0 0 0
+# SeO4-2
+        Hfocd_uniOH-0.5 + H+ + SeO4-2 = Hfocd_uniSeO4-1.5 + H2O         
+             log_k     11.57         
+             -cd_music  0.50 -1.50 0 0 0 
+        2Hfocd_uniOH-0.5 + SeO4-2 + 2H+ = Hfocd_uni2SeO4- + 2H2O
+             log_k     4.04           
+             -cd_music  1. -1.  0 0 0
+        Hfocd_uniOH-0.5 + 2H+ + SeO4-2 = Hfocd_uniOH2SeO4H-0.5          
+             log_k     3.76         
+             -cd_music  0.50 -0.50 0 0 0  
+# VO2+
+        2Hfocd_uniOH-0.5 + VO2+ = Hfocd_uni2O2VO + H2O   
+             log_k     18.15           
+             -cd_music  1.50 -0.50  0 0 0
+END
+
+
diff --git a/database/Kinec.v2.dat b/database/Kinec.v2.dat
new file mode 100644
index 00000000..3b7166ba
--- /dev/null
+++ b/database/Kinec.v2.dat
@@ -0,0 +1,12039 @@
+# KINEC.v2.dat - last edited April 18, 2024 by MA and EHO.
+#
+# This database contains the parameters for calculating mineral dissolution rates for primary and secondary silicate minerals using the equations and parameters reported by Hermanska et al. (2022, 2023),
+# and dissolution rates for other non)-silicate mineral systems using the equations and parameters reported by Oelkers and Addassi (2024, in preparation).
+#
+# This database contains thermodynamic properties from the Carbfix.dat (Voigt et al., 2018) and the llnl.dat database. 
+# The thermodynamic data for Gaspite, Variscite were taken from https://thermoddem.brgm.fr/ and Monazite-Ce was extracte from (A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018))
+#
+# Several solid solutions have been added to the kinetics database to allow calculation of the release of metals from solid solutions.  The solubilities of these solid solutions are based on the ideal mechanical mixing of the endmembers. These solid solutions are indicated in the kinetic part of the database by the suffix: _ss
+#
+#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
+# README for the RATES blocks in the Kinec.v2.dat file
+
+
+# Reference literature for derived kinetic fits can be found in Hermanska et al. (2022, 2003) and Oelkers and Addassi (2024, in preparation), along with pH and temperature conditions. Note the rated of minerals glauconite and struvite were not added to the current database due to lack of thermodynamic data. 
+# The uncertainties associated with the dissolution rates generated using this database have been described in original manuscripts, and caution should be taken when using rates extrapolated well beyond the limits of the available experimental data.
+
+# Below is a minimal example for such a KINETICS block, explaining the different parameters specific to KINEC.v2.dat. Other parameters can be specified as explained in the PHREEQC documentation.
+
+#------------------------------------------------
+##Example data block for mineral end-members:
+
+#KINETICS
+#Albite                                 # Name of the mineral
+#    -m0        1e-3                    # Initial moles of mineral
+#    -parms     0 100 0 0               # Four parameters as explained below
+
+##Example data block for selected mineral solid solutions (the identntity of the solid solutions are listed in Appendix in Hermanska et al. (2022)):
+
+#KINETICS
+#Augite_ss                                  # Name of the mineral
+#    -formula  Mg0.45Fe0.275Ca0.275SiO3  1  # Mineral formula ! must be added to run solid solutions. 
+#    -m0       100                          # Initial moles of mineral
+#    -parms    0 0.0088183 0 2              # Four parameters as explained below
+
+#------------------------------------------------
+#Parameters:
+#Four parameters are necessary when using rates from Kenec.dat:
+
+# - The first parameter specifies if the specific surface area is entered as m2 per g of rock (0) or m2 per kg of water (1)
+
+# - The second parameter specifies the specific surface area of the mineral (in m2/g or m2/kgw depending on the choice of the first parameter)
+
+#  - The third parameters define how the surface area changes during dissolution and has three possible values. This option is only available when the first parameter is 0. If the first parameter is 1, the surface area is always constant.
+#   0: The surface area changes linearly with the moles of the mineral present
+#   1: The surface area changes according to the geometry of dissolving cubes or spheres
+
+#- The fourth  parameter specifies the dissolution and precipitation option
+#	0: allow dissolution and precipitation
+#	1: allow precipitation only
+#	2: allow dissolution only 
+#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
+#
+# References for KINEC.v2.dat database description: 
+#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2022) A comprehensive and internally consistent mineral dissolution rate database: Part I: Primary silicate minerals and glasses. Chemical Geology. 597, 120807. https://doi.org/10.1016/j.chemgeo.2022.120807
+#
+#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2023) A comprehensive and internally consistent mineral dissolution rate database: Part II: Secondary silicate minerals. Chemical Geology. 636, 121632 https://doi.org/10.1016/j.chemgeo.2023.121632
+#
+# and 
+#
+# Oelkers, E.H., Addassi, M. 2024. A comprehensive and internally consistent mineral dissolution rate database: Part III: Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals. (in preparation)
+# ***the thermodynamic database is described below *******************
+
+#
+LLNL_AQUEOUS_MODEL_PARAMETERS
+-temperatures
+	 0.01	25   60  100
+	  150  200  250  300
+#debye huckel a (adh)
+-dh_a
+         0.4939    0.5114    0.5465    0.5995
+         0.6855    0.7994    0.9593    1.2180
+#debye huckel b (bdh)
+-dh_b
+         0.3253    0.3288    0.3346    0.3421
+         0.3525    0.3639    0.3766    0.3925
+-bdot
+         0.0374    0.0410    0.0438    0.0460
+         0.0470    0.0470    0.0340    0
+#cco2   (coefficients for the Drummond (1981) polynomial)
+-co2_coefs
+        -1.0312              0.0012806
+          255.9                 0.4445
+      -0.001606
+
+SOLUTION_MASTER_SPECIES
+
+#element	species        alk     gfw_formula	element_gfw
+
+Al	Al+3	0	Al	26.9815
+Alkalinity	HCO3-	1	Ca0.5(CO3)0.5	50.05
+B	B(OH)3	0	B	10.811
+B(3)	B(OH)3	0	B	-36.44179
+Ba	Ba+2	0	Ba	137.3270 
+C(-4)	CH4	0	CH4	-33.31051
+C(-3)	C2H6	0	C2H6	-30.54674
+C(-2)	C2H4	0	C2H4	-28.08539
+C	HCO3-	1	HCO3	12.011
+C(+2)	CO	0	C	-23.87691
+C(+4)	HCO3-	1	HCO3	-22.05727
+Ca	Ca+2	0	Ca	40.078
+Ce	Ce+3	0	Ce	140.115
+Ce(+2)	Ce+2	0	Ce
+Ce(+3)	Ce+3	0	Ce
+Ce(+4)	Ce+4	0	Ce
+Cl	Cl-	0	Cl	35.4527
+Cl(-1)	Cl-	0	Cl	-17.43358
+Cl(1)	ClO-	0	Cl	-16.11094
+Cl(3)	ClO2-	0	Cl	-14.87484
+Cl(5)	ClO3-	0	Cl	-13.71476
+Cl(7)	ClO4-	0	Cl	
+Co	Co+2	0	Co	58.9332
+Co(+2)	Co+2	0	Co	
+Co(+3)	Co+3	0	Co	
+Cr	CrO4-2	0	CrO4-2	51.9961
+Cr(+2)	Cr+2	0	Cr	
+Cr(+3)	Cr+3	0	Cr	
+Cr(+6)	CrO4-2	0	Cr	
+Cd		Cd+2	0	Cd	112.411
+Cu	Cu+2	0	Cu	63.546
+Cu(+1)	Cu+1	0	Cu	
+Cu(+2)	Cu+2	0	Cu	
+E	e-	0	0	0
+Eu	Eu+3	0	Eu	151.965
+Eu(+2)	Eu+2	0	Eu	
+Eu(+3)	Eu+3	0	Eu	
+F	F-	0	F	18.9984
+Fe	Fe+2	0	Fe	55.847
+Fe(+2)	Fe+2	0	Fe	
+Fe(+3)	Fe+3	-2	Fe	
+Gd	Gd+3	0	Gd	157.25
+Gd(+3)	Gd+3	0	Gd	
+H	H+	-1	H	1.0079
+H(0)	H2	0	H	
+H(+1)	H+	-1	0	
+K	K+	0	K	39.0983
+Li	Li+	0	Li	6.941
+Mg	Mg+2	0	Mg	24.305
+Mn	Mn+2	0	Mn	54.938
+Mn(+2)	Mn+2	0	Mn	
+Mn(+3)	Mn+3	0	Mn	
+Mn(+6)	MnO4-2	0	Mn	
+Mn(+7)	MnO4-	0	Mn	
+Mo	MoO4-2	0	Mo	95.94
+N	NH3	1	N	14.0067
+N(-3)	NH3	1	N	
+N(0)	N2	0	N	
+N(+3)	NO2-	0	N	
+N(+5)	NO3-	0	N	
+Na	Na+	0	Na	22.9898
+Ni	Ni+2	0	Ni	58.69
+O	H2O	0	O	15.994
+O(-2)	H2O	0	0	
+O(0)	O2	0	O	
+P	HPO4-2	2	P	30.9738
+P(5)	HPO4-2	2	P	
+Pb      Pb+2    0	Pb	207.20 
+Pb(+2)	Pb+2	0	Pb
+Pb(+4)	Pb+4	0	Pb
+S	SO4-2	0	SO4	32.066
+S(-2)	HS-	1	S	
+S(+2)	S2O3-2	0	S	
+S(+3)	S2O4-2	0	S	
+S(+4)	SO3-2	0	S	
+S(+5)	S2O5-2	0	S	
+S(+6)	SO4-2	0	SO4	
+S(+7)	S2O8-2	0	S	
+S(+8)	HSO5-	0	S	
+Sc	Sc+3	0	Sc	44.9559
+Si	SiO2	0	SiO2	28.0855
+Sm	Sm+3	0	Sm	150.36
+Sm(+2)	Sm+2	0	Sm	
+Sm(+3)	Sm+3	0	Sm	
+Sr      Sr+2    0.0     Sr      87.62
+Th	Th+4	0	Th	232.0381
+Ti	Ti(OH)4	0	Ti	47.88
+U	UO2+2	0	U	238.0289
+U(+3)	U+3	0	U	
+U(+4)	U+4	0	U	
+U(+5)	UO2+	0	U	
+U(+6)	UO2+2	0	U	
+Zn	Zn+2	0	Zn	65.39
+
+
+
+SOLUTION_SPECIES
+
+#------------------
+# 31 basis species
+#------------------
+
+Al+3 = Al+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-128.681	kcal/mol
+	-Vm   		-2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86
+
+B(OH)3 = B(OH)3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-256.82 	kcal/mol
+	-Vm 		7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89
+
+Ca+2 = Ca+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-129.8		kcal/mol
+	-Vm  		-0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14
+
+Cd+2 =  Cd+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
+#	Enthalpy of formation:	-18.14 kcal/mol
+
+Cl- = Cl- 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-39.933		kcal/mol
+	-Vm		4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14
+
+Co+2 = Co+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-13.9		kcal/mol
+	-Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97
+
+CrO4-2 = CrO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-210.6		kcal/mol
+	-Vm		5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97
+
+Cu+2 = Cu+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		15.7		kcal/mol
+	-Vm		-1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14
+
+e- = e-
+
+Eu+3 = Eu+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-144.7		kcal/mol
+	-Vm		-3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88
+
+F- =  F- 
+	-llnl_gamma	3.5000
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-80.15 kcal/mol
+	-Vm		0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # APP14
+
+Fe+2 = Fe+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-22.05		kcal/mol
+	-Vm		-0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14
+
+Gd+3 = Gd+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.2		kcal/mol
+	-Vm		-2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88
+
+H+ = H+ 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-0		kJ/mol
+
+HCO3- = HCO3- 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.898	kcal/mol
+	-Vm		7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88
+
+HPO4-2 = HPO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-308.815	kcal/mol
+	-Vm		3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88
+
+K+ = K+ 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-60.27		kcal/mol
+	-Vm		3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14
+
+Li+ = Li+ 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-66.552		kcal/mol
+	-Vm		-0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68 
+
+Mg+2 = Mg+2 
+	-llnl_gamma	8	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-111.367	kcal/mol
+	-Vm		-1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14
+
+Mn+2 = Mn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-52.724		kcal/mol
+	-Vm		-1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14
+
+MoO4-2 = MoO4-2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-238.5		kcal/mol
+	-Vm		6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97
+
+NH3 = NH3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-19.44		kcal/mol
+	-Vm		5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89
+
+Na+ = Na+ 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-57.433		kcal/mol
+	-Vm		2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14
+
+Ni+2 = Ni+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-12.9		kcal/mol
+	-Vm		-1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88
+
+H2O = H2O 
+	-llnl_gamma	3	
+        log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-68.317		kcal/mol
+
+SO4-2 = SO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-217.4		kcal/mol
+	-Vm		8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14
+
+Sc+3 = Sc+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-146.8		kcal/mol
+	-Vm		-2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97
+
+SiO2 = SiO2 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-209.775	kcal/mol
+	-Vm		1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89
+
+Sm+3 = Sm+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-165.2		kcal/mol
+	-Vm		-3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88
+
+Th+4 = Th+4 
+	-llnl_gamma	11	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-183.8		kcal/mol
+	-Vm		-4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97
+
+Ti(OH)4 = Ti(OH)4 
+	-llnl_gamma	3	
+	log_k		0
+#	deltafH		-0		kcal/mol
+	-Vm		7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01
+
+UO2+2 = UO2+2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-1019		kJ/mol
+	-Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97
+
+Zn+2 = Zn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-36.66		kcal/mol
+	-Vm		-1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14
+
+Ba+2 =  Ba+2 
+	-llnl_gamma	5.0	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
+#	Enthalpy of formation:	-128.5 kcal/mol
+
+Ce+3 =  Ce+3 
+	-llnl_gamma	9	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
+#	Enthalpy of formation:	-167.4 kcal/mol
+
+Pb+2 =  Pb+2 
+	-llnl_gamma	4.5	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
+#	Enthalpy of formation:	0.22 kcal/mol
+
+Sr+2 =  Sr+2 
+	-llnl_gamma	5.0	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
+#	Enthalpy of formation:	-131.67 kcal/mol
+#-------------------
+# 40 Redox couples
+#-------------------
+
+2H2O = O2 + 4H+ + 4e-  
+	-CO2_llnl_gamma
+	log_k		-85.9951
+	-delta_H	559.543		kJ/mol
+#	deltafH		-2.9		kcal/mol
+	-analytic	38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
+#	Range		0-350
+	-Vm		5.7889 6.3536 3.2528 -3.0417 -0.3943
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ = HS- + 2 O2  
+	-llnl_gamma	3.5    
+	log_k		-138.3169
+	-delta_H	869.226		kJ/mol
+#	deltafH		-3.85		kcal/mol
+	-analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
+#	Range		0-350
+	-Vm		5.0119 4.9799 3.4765 -2.9849 1.44100
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+.5 O2 + 2 HS- = S2-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		33.2673
+#	deltafH		-0		kcal/mol
+	-analytic	0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
+	-mass_balance	S(-2)2
+#	Range		0-350
+	-Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2  = S2O3-2 + O2 + H2O
+	-llnl_gamma	4.0    
+	log_k		-40.2906
+#	deltafH		-0		kcal/mol
+	-analytic	0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
+#	Range		0-350
+	-Vm		6.6685 12.4951 -7.7281 -3.2955 2.96940
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+H+ + HCO3- + H2O = CH4 + 2 O2
+	-llnl_gamma	3.0    
+	log_k		-144.1412
+	-delta_H	863.599		kJ/mol
+#	deltafH		-21.01		kcal/mol
+	-analytic	-0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
+#	Range		0-350
+	-Vm		6.7617 8.7279 2.3212 -3.1397 -0.31790
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
+	-llnl_gamma	3.0    
+	log_k		-228.6072
+#	deltafH		-0		kcal/mol
+	#analytic	-0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
+	-analytic	-491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
+#	Range		0-350
+	-Vm		8.75 13.1051 1.6258 -3.3207 -0.06270
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- = C2H4 + 3 O2
+	-llnl_gamma	3.0
+	log_k		-254.5034
+	-delta_H	1446.6		kJ/mol
+#	deltafH		24.65		kcal/mol
+	#analytic	-0.30329e2 0.71187e-1 -0.73140e5
+	-analytic	6e-2 3.60e-2 -7.17e4
+#	Range		0-350
+	-Vm		7.856 12.6391 -1.8737 -3.3014 -0.4
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CO + H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-41.7002
+	-delta_H	277.069		kJ/mol
+#	deltafH		-28.91		kcal/mol
+	-analytic	1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
+#	Range		0-350
+	-Vm		6.2373 7.4498 2.8184 -3.0869 -0.37150
+#	Extrapol	supcrt92
+#	Ref		SM93
+ 
+Cl- + 0.5 O2 = ClO-   
+	-llnl_gamma	4.0    
+	log_k		-15.1014
+	-delta_H	66.0361		kJ/mol
+#	deltafH		-25.6		kcal/mol
+	-analytic	6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
+#	Range		0-350
+	-Vm		2.3599 -2.0164 6.5356 -2.6955 1.47670
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+O2 + Cl- = ClO2-   
+	-llnl_gamma	4.0    
+	log_k		-23.108
+	-delta_H	112.688		kJ/mol
+#	deltafH		-15.9		kcal/mol
+	-analytic	3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
+#	Range		0-350
+	-Vm		5.2163 4.958 3.7949 -2.9839 1.2637
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+1.5 O2 + Cl- = ClO3-   
+	-llnl_gamma	3.5    
+	log_k		-17.2608
+	-delta_H	81.3077		kJ/mol
+#	deltafH		-24.85		kcal/mol
+	-analytic	2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
+#	Range		0-350
+	-Vm		7.1665 9.7172 1.9307 -3.1807 1.0418
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + Cl- = ClO4-   
+	-llnl_gamma	3.5    
+	log_k		-15.7091
+	-delta_H	62.0194		kJ/mol
+#	deltafH		-30.91		kcal/mol
+	-analytic	7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
+#	Range		0-350
+	-Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-11.4845
+	-delta_H	10.3198		kJ/mol
+#	deltafH		22		kcal/mol
+	-analytic	-2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
+#	Range		0-350
+	-Vm		-2.8678 -14.7777 11.5439 -2.1680 2.6901
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 
+	-llnl_gamma	4.5    
+	log_k		-21.6373
+	-delta_H	153.829		kJ/mol
+#	deltafH		-34.3		kcal/mol
+	-analytic	6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
+#	Range		0-350
+	-Vm		-0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C 
+
+5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 
+	-llnl_gamma	9.0    
+	log_k		8.3842
+	-delta_H	-81.0336	kJ/mol
+#	deltafH		-57		kcal/mol
+	-analytic	5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
+#	Range		0-350
+	-Vm		-2.7824 -14.5709 11.4661 -2.1765 2.7403
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
+ 
+Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-18.7704
+	-delta_H	145.877		kJ/mol
+#	deltafH		17.132		kcal/mol
+	-analytic	3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
+#	Range		0-350
+	-Vm		0.807 -5.804 8.0165 -2.5390 0.40460
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-27.5115
+	-delta_H	217.708		kJ/mol
+#	deltafH		-126.1		kcal/mol
+	-analytic	3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
+#	Range		0-350
+	-Vm		0.0407 -7.6776 8.7578 -2.4615 1.0929
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O 
+	-llnl_gamma	9.0    
+	log_k		8.4899
+	-delta_H	-97.209		kJ/mol
+#	deltafH		-11.85		kcal/mol
+	-analytic	-1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
+#	Range		0-350
+	-Vm		-2.4256 -13.6961 11.1141 -2.2127 2.58120
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+H2O = H2 + 0.5 O2   
+	-CO2_llnl_gamma
+	log_k		-46.1066
+	-delta_H	275.588		kJ/mol
+#	deltafH		-1		kcal/mol
+	-analytic	6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
+#	Range		0-350
+	-Vm		5.1427 4.7758 3.8729 -2.9764 -0.209
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ + 0.5 O2 = HSO5-  
+	-llnl_gamma	4.0    
+	log_k		-17.2865
+	-delta_H	140.038		kJ/mol
+#	deltafH		-185.38		kcal/mol
+	-analytic	5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
+#	Range		0-350
+	-Vm		8.9391 14.043 0.2349 -3.3594 0.86110
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-4.0811
+	-delta_H	-65.2892	kJ/mol
+#	deltafH		-34.895		kcal/mol
+	-analytic	3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
+#	Range		0-350
+	-Vm		-2.932 -14.934 11.6041 -2.1615 2.70250
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76mac match
+
+2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ 
+	-llnl_gamma	4.0    
+	log_k		-32.4146
+	-delta_H	151.703		kJ/mol
+#	deltafH		-156		kcal/mol
+	-analytic	-1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
+#	Range		0-350
+	-Vm		5.6596 6.0368 3.3786 -3.0285 2.98030
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 NH3 + 1.5 O2 = N2 + 3 H2O  
+	-llnl_gamma	3.0    
+	log_k		116.4609
+	-delta_H	-687.08		kJ/mol
+#	deltafH		-2.495		kcal/mol
+	-analytic	-8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
+#	Range		0-350
+	-Vm		6.2046 7.3685 2.8539 -3.0836 -0.34680
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+1.5 O2 + NH3 = NO2- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		+46.8653
+	-delta_H	-290.901	kJ/mol
+#	deltafH		-25		kcal/mol
+	-analytic	-1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
+#	Range		0-350
+	-Vm		5.5864 5.859 3.4472 -3.0212 1.18470
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + NH3 = NO3- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		62.1001
+	-delta_H	-387.045	kJ/mol
+#	deltafH		-49.429		kcal/mol
+	-analytic	-3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
+#	Range		0-350
+	-Vm		7.3161 6.7824 -4.6838 -3.0594 1.09770
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
+	-llnl_gamma	5.0    
+	log_k		-25.2076
+#	deltafH		-0		kcal/mol
+	-analytic	-2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
+#	Range		0-350
+	-Vm		6.6784 8.528 2.3917 -3.1314 2.87720
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		41.8289
+#	deltafH		-0		kcal/mol
+	-analytic	0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
+#	Range		0-350
+	-Vm		8.2257 12.3054 0.9087 -3.2876 2.75870
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		70.7489
+#	deltafH		-0		kcal/mol
+	-analytic	0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
+#	Range		0-350
+	-Vm		13.3622 24.8454 -4.0153 -3.8061 2.32810
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+O2 + H+ + 3 HS- = S3-2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		79.3915
+#	deltafH		-0		kcal/mol
+	-analytic	-0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
+	-mass_balance	S(-2)3
+#	Range		0-350
+	-Vm		6.7661 8.7396 2.315 -3.1403 2.97490
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		-6.2316
+#	deltafH		-0		kcal/mol
+	-analytic	0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
+#	Range		0-350
+	-Vm		8.4155 12.7691 0.7268 -3.3068 2.71310
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		125.2958
+#	deltafH		-0		kcal/mol
+	-analytic	0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
+	-mass_balance	S(-2)4
+#	Range		0-350
+	-Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+4 SO3-2 + 6 H+  = S4O6-2 + 1.5 O2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		-38.3859
+#	deltafH		-0		kcal/mol
+	-analytic	0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
+#	Range		0-350
+	-Vm		10.2672 17.2902 -1.0502 -3.4937 2.28050
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		170.9802
+#	deltafH		-0		kcal/mol
+	-analytic	0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
+	-mass_balance	S(-2)5
+#	Range		0-350
+	-Vm		9.1107 14.4645 0.0649 -3.3770 2.70510
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		-99.4206
+#	deltafH		-0		kcal/mol
+	-analytic	0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
+#	Range		0-350
+	-Vm		8.8725 13.8806 0.2986 -3.3527 2.60760
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
+	-llnl_gamma	3.5    
+	log_k		3.0070
+#	deltafH		-0		kcal/mol
+	-analytic	0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
+#	Range		0-350
+	-Vm		7.0244 9.3687 2.0708 -3.1662 1.10730
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+SO4-2 = SO3-2 + 0.5 O2   
+	-llnl_gamma	4.5    
+	log_k		-46.6244
+	-delta_H	267.985		kJ/mol
+#	deltafH		-151.9		kcal/mol
+	-analytic	-1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
+#	Range		0-350
+	-Vm		2.4632 -1.7691 6.4494 -2.7058 3.321
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-47.9624
+	-delta_H	326.911		kJ/mol
+#	deltafH		-120.5		kcal/mol
+	-analytic	-1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
+#	Range		0-350
+	-Vm		-0.0353 -7.8592 8.8194 -2.454 1.1512
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-64.8028
+	-delta_H	377.881		kJ/mol
+#	deltafH		-489.1		kJ/mol
+	-analytic	2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
+#	Range		0-350
+	-Vm		-2.8438 -14.722 11.528 -2.1703 2.27520
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 
+	-llnl_gamma	5.5    
+	log_k		-33.9491
+	-delta_H	135.895		kJ/mol
+#	deltafH		-591.2		kJ/mol
+	-analytic	4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
+#	Range		0-350
+	-Vm		-4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-20.0169
+	-delta_H	133.759		kJ/mol
+#	deltafH		-1025.13	kJ/mol
+	-analytic	8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
+#	Range		0-350
+	-Vm		3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+#---------------------------
+# 156 other aqueous species
+#---------------------------
+
+2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-5.595
+	-delta_H	-46.8566	kJ/mol
+#	deltafH		-372.08		kcal/mol
+	-analytic	-4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
+#	Range		0-350
+	-Vm		8.9971 14.1844 0.1805 -3.3653 1.39180
+#	Extrapol	supcrt92
+#	Ref		SK93, differ by 2.2 log K at 0C, 1 log K at 300C
+ 
+4 H2O + Al+3 = Al(OH)4- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-22.8833
+	-delta_H	180.899		kJ/mol
+#	deltafH		-222.079	kcal/mol
+	-analytic	1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
+#	Range		0-350
+	-Vm		3.7221 3.9954 -1.5879 -2.9441 1.74180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+H2O + Al+3 = Al(OH)+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-4.9571
+	-delta_H	49.798		kJ/mol
+#	deltafH		-185.096	kcal/mol
+	-analytic	-2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
+#	Range		0-350
+	-Vm		-1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+B(OH)3 = BO2- + H+ + H2O
+	-llnl_gamma	4.0    
+	log_k		-9.2449
+	-delta_H	16.3302		kJ/mol
+#	deltafH		-184.6		kcal/mol
+	-analytic	-1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
+#	Range		0-350
+	-Vm		-2.2428 -6.2065 -6.3216 -2.5224 1.75950
+#	Extrapol	supcrt92
+#	Ref		SH88
+ 
+HCO3- + H+ = CO2 + H2O
+	-CO2_llnl_gamma
+	log_k		6.3447
+	-delta_H	-9.7027		kJ/mol
+#	deltafH		-98.9		kcal/mol
+	-analytic	-1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
+#	Range		0-350
+	-Vm		6.2466 7.4711 2.8136 -3.0879 -0.1934
+#	Extrapol	supcrt92
+#	Ref		SSW01, SHS89
+
+HCO3- = CO3-2 + H+
+	-llnl_gamma	4.5    
+	log_k		-10.3288
+	-delta_H	14.6984		kJ/mol
+#	deltafH		-161.385	kcal/mol
+	-analytic	-6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
+#	Range		0-350
+	-Vm		2.8524 -3.9844 6.4142 -2.6143 3.39140
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + HCO3- = CN- + 2 H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-56.0505
+	-delta_H	344.151		kJ/mol
+#	deltafH		36		kcal/mol
+	-analytic	-1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
+#	Range		0-350
+	-Vm		5.4714 5.5813 3.5497 -3.0096 1.29000
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+HCO3- + H+ = HCOOH + 0.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-39.0524
+	-analytic	-16.6 0.041 -10000 0 0 -1.205e-5
+#	Range		0-350
+	-Vm		6.3957 7.7713 2.8318 -3.1002 -0.33
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+HCOOH = HCOO- + H+
+	-llnl_gamma	3.5		# EQ3/6 data0.sup
+	log_k		-3.752994
+	-analytic	-6.456 0.01694 0 0 0 -2.71e-5
+#	Range		0-350
+	-Vm		5.7842 4.7242 7.363 -2.9742 1.3003
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 HCO3- + 2 H+ = CH3COOH + 2 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-141.99219
+	-analytic	-6.037 0.0104 -42362 0 0 3.604e-5
+#	Range		0-350
+	-Vm		11.6198 5.218 2.5088 -2.9946 -0.15
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+CH3COOH = CH3COO- + H+ 
+	-llnl_gamma	4.5         
+	log_k		-4.7572
+#	deltafH		-0		kcal/mol
+	-analytic	-0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
+#	Range		0-350
+	-Vm		7.7525 8.6996 7.5825 -3.1385 1.31820
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		6.631821
+	-analytic	15.98 -4.41e-2 0 0 0 4.25e-5
+#	Range		0-350
+	-Vm		7.7158 7.3031 10.9353 -3.0808 -0.3006
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
+	-llnl_gamma	3.0		# thermo.com.V8.R6+.tdat
+	log_k		-363.088
+	-analytic	-8.04e2 1.877 0 0 0 -1.33e-3
+#	Range		0-350
+	-Vm		10.768 17.6785 -0.5878 -3.5097 -0.165
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H+ + HCO3- + H2O = CH3OH + 1.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-117.9046
+	-analytic	-262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
+#	Range		0-350
+	-Vm		6.9383 5.5146 11.4018 -3.0069 -0.14760
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-224.1415
+	-analytic	-423.8 0.989 -10003 0 0 -6.93e-4
+#	Range		0-350
+	-Vm		9.2333 9.9581 12.1445 -3.1906 -0.2037
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CH2O + O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-86.57248
+	-analytic	-17.3 0.0404 -24072 0 0 -6.57e-6
+#	Range		0-350
+	-Vm		5.3113 5.3139 3.3901 -2.9986 -0.3984
+#	Extrapol	supcrt92
+#	Ref		SS93
+
+2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.3814
+	-delta_H	-2.7196		kJ/mol
+#	deltafH		-362.65		kcal/mol
+	-analytic	-1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
+#	Range		0-350
+	-Vm		12.9911 23.9379 -3.6556 -3.7685 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Ca+2 + CH3COOH = CaCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.8263
+	-delta_H	1.17152		kJ/mol
+#	deltafH		-245.62		kcal/mol
+	-analytic	-8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
+#	Range		0-350
+	-Vm		5.9002 6.6232 3.1505 -3.0527 0.36360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Ca+2 = CaCO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-7.0017
+	-delta_H	30.5767		kJ/mol
+#	deltafH		-287.39		kcal/mol
+	-analytic	2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
+#	Range		0-350
+	-Vm		-0.3907 -8.7325 9.1753 -2.4179 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Cl- + Ca+2 = CaCl+
+	-llnl_gamma	4.0    
+	log_k		-0.6956
+	-delta_H	2.02087		kJ/mol
+#	deltafH		-169.25		kcal/mol
+	-analytic	8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
+#	Range		0-350
+	-Vm		2.7148 -1.1497 6.1949 -2.7314 0.48620
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Ca+2 = CaCl2
+	-llnl_gamma	3.0    
+	log_k		-0.6436
+	-delta_H	-5.8325		kJ/mol
+#	deltafH		-211.06		kcal/mol
+	-analytic	1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
+#	Range		0-350
+	-Vm		6.2187 7.4058 2.8322 -3.0851 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+SO4-2 + Ca+2 = CaSO4
+	-llnl_gamma	3.0    
+	log_k		2.1111
+	-delta_H	5.4392		kJ/mol
+#	deltafH		-345.9		kcal/mol
+	-analytic	2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
+#	Range		0-350
+	-Vm		2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1468
+	-delta_H	-22.4262	kJ/mol
+#	deltafH		-251.46		kcal/mol
+	-analytic	-2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
+#	Range		0-350
+	-Vm		11.9141 21.312 -2.6321 -3.6599 3.49629
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.281
+	-delta_H	-48.2415	kJ/mol
+#	deltafH		-373.73		kcal/mol
+	-analytic	6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
+#	Range		0-350
+	-Vm		20.3474 41.8989 -10.7127 -4.5110 1.47140
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + CH3COOH = CoCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.2985
+	-delta_H	-8.70272	kJ/mol
+#	deltafH		-132.08		kcal/mol
+	-analytic	-5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
+#	Range		0-350
+	-Vm		5.0294 4.4992 3.9806 -2.9649 0.64720
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + Cl- = CoCl+
+	-llnl_gamma	4.0    
+	log_k		0.1547
+	-delta_H	1.71962		kJ/mol
+#	deltafH		-53.422		kcal/mol
+	-analytic	1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
+#	Range		0-350
+	-Vm	1.8028 -3.3766 7.0702 -2.6394 0.71910
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 74nau/ryz match
+ 
+2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		14.5192
+	-delta_H	-13.8783	kJ/mol
+#	deltafH		-356.2		kcal/mol
+	-analytic	1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
+#	Range		0-350
+	-Vm		12.4303 22.568 -3.1161 -3.7119 2.12160
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-5.8824
+	-delta_H	-25.899		kJ/mol
+#	deltafH		-222.69		kcal/mol
+	-analytic	-2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
+#	Range		0-350
+	-Vm		11.8801 21.2264 -2.5925 -3.6564 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2139
+	-delta_H	-19.5476	kJ/mol
+#	deltafH		-219.74		kcal/mol
+	-analytic	-3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
+#	Range		0-350
+	-Vm		15.0715 29.0205 -5.6592 -3.9786 1.06910
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-9.3788
+	-delta_H	-53.2205	kJ/mol
+#	deltafH		-345.32		kcal/mol
+	-analytic	3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
+#	Range		0-350
+	-Vm		20.2654 41.7019 -10.6422 -4.5029 1.3408
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Cu+ + CH3COOH = CuCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4274
+	-delta_H	-4.19237	kJ/mol
+#	deltafH		-99.97		kcal/mol
+	-analytic	6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
+#	Range		0-350
+	-Vm		7.3009 10.0483 1.7946 -3.1943 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Cu+2 + CH3COOH = CuCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.5252
+	-delta_H	-11.3805	kJ/mol
+#	deltafH		-103.12		kcal/mol
+	-analytic	-1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
+#	Range		0-350
+	-Vm		4.9722 4.362 4.029 -2.9592 0.56810
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.6912
+	-delta_H	-28.3257	kJ/mol
+#	deltafH		-383.67		kcal/mol
+	-analytic	-2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
+#	Range		0-350
+	-Vm		9.3029 14.9307 -0.1123 -3.3961 0.7384
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.9824
+	-delta_H	-47.3629	kJ/mol
+#	deltafH		-504.32		kcal/mol
+	-analytic	-3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
+#	Range		0-350
+	-Vm		16.6413 32.8512 -7.1605 -4.137 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Eu+3 + CH3COOH = EuCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9571
+	-delta_H	-14.5603	kJ/mol
+#	deltafH		-264.28		kcal/mol
+	-analytic	-1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
+#	Range		0-350
+	-Vm		2.75 -1.0666 6.169 -2.7348 1.5269
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Eu+3 = EuCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.4057
+	-delta_H	90.7844		kJ/mol
+#	deltafH		-287.9		kcal/mol # OBIGT: -311.27 kcal/mol HSS95
+	-analytic	2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
+#	Range		0-350
+	-Vm		-0.9842 -10.1779 9.7343 -2.3581 1.2465
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+2 + Cl- = EuCl+
+	-llnl_gamma	4.0    
+	log_k		0.3819
+	-delta_H	8.50607		kJ/mol
+#	deltafH		-164		kcal/mol
+	-analytic	6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
+#	Range		0-350
+	-Vm		5.1742 4.8499 3.8487 -2.9794 0.2557
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+3 + Cl- = EuCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	13.9453		kJ/mol
+#	deltafH		-181.3		kcal/mol
+	-analytic	7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
+#	Range		0-350
+	-Vm		-0.3777 -8.6968 9.1514 -2.4194 1.4671
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Eu+3 = EuCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	18.6857		kJ/mol
+#	deltafH		-220.1		kcal/mol # OBIGT: -204.6 kcal/mol HSS95
+	-analytic	2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
+#	Range		0-350
+	-Vm		9.1152 14.474 0.0641 -3.3773 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+3 = EuCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	11.2926		kJ/mol
+#	deltafH		-261.8		kcal/mol
+	-analytic	4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
+#	Range		0-350
+	-Vm		6.2132 7.3881 2.8493 -3.0843 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+2 = EuCl3-
+	-llnl_gamma	4.0    
+	log_k		2.0253
+	-delta_H	-3.76978	kJ/mol
+#	deltafH		-246.8		kcal/mol
+	-analytic	1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
+#	Range		0-350
+	-Vm		13.946 26.2721 -4.579 -3.865 0.9527
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+3 = EuCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-9.90771	kJ/mol
+#	deltafH		-306.8		kcal/mol
+	-analytic	4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
+#	Range		0-350
+	-Vm		10.9946 19.066 -1.7473 -3.5671 1.787
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+2 = EuCl4-2
+	-llnl_gamma	4.0    
+	log_k		2.8470
+	-delta_H	-19.9493	kJ/mol
+#	deltafH		-290.6		kcal/mol
+	-analytic	-1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
+#	Range		0-350
+	-Vm		19.473 39.7656 -9.8784 -4.4228 2.4755
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Eu+3 = EuH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-17.0916	kJ/mol
+#	deltafH		-457.6		kcal/mol
+	-analytic	1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
+#	Range		0-350
+	-Vm		1.4946 -4.1236 7.3517 -2.6084 1.5372
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Eu+3 = EuHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6258
+	-delta_H	8.77803		kJ/mol
+#	deltafH		-307.5		kcal/mol
+	-analytic	3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
+#	Range		0-350
+	-Vm		0.4928 -6.572 8.3198 -2.5072 1.286
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+NO3- + Eu+3 = EuNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8745
+	-delta_H	-32.0955	kJ/mol
+#	deltafH		-201.8		kcal/mol
+	-analytic	1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
+#	Range		0-350
+	-Vm		1.2198 -4.7951 7.6178 -2.5807 1.6556
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Eu+3 = EuO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	110.947		kJ/mol
+#	deltafH		-186.5		kcal/mol # OBIGT: -177.81 kcal/mol HSS95
+	-analytic	1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
+#	Range		0-350
+	-Vm		2.7458 -1.0743 6.1663 -2.7345 0.4322
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.5066
+	-delta_H	281.307		kJ/mol
+#	deltafH		-214.1		kcal/mol # OBIGT: -219.06 kcal/mol HSS95
+	-analytic	7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
+#	Range		0-350
+	-Vm		4.8468 4.0541 4.1548 -2.9465 1.1424
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.4173
+	-delta_H	222.313		kJ/mol
+#	deltafH		-228.2		kcal/mol
+	-analytic	3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
+#	Range		0-350
+	-Vm		4.8064 3.954 4.1968 -2.9424 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+H2O + Eu+3 = EuOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	78.0065		kJ/mol
+#	deltafH		-194.373	kcal/mol
+	-analytic	6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
+#	Range		0-350
+	-Vm		2.6569 -1.2969 6.2659 -2.7253 1.1815
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Eu+3 = EuSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	62.3416		kJ/mol
+#	deltafH		-347.2		kcal/mol # OBIGT: -357.2 kcal/mol HSS95
+	-analytic	3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
+#	Range		0-350
+	-Vm		1.4399 -4.2627 7.4184 -2.6027 0.779
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.0295
+	-delta_H	-20.2924	kJ/mol
+#	deltafH		-259.1		kcal/mol
+	-analytic	-2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
+#	Range		0-350
+	-Vm		12.1698 21.937 -2.8791 -3.6858 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Fe+2 + CH3COOH = FeCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4671
+	-delta_H	-3.80744	kJ/mol
+#	deltafH		-139.06		kcal/mol
+	-analytic	-1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
+#	Range		0-350
+	-Vm		5.2246 4.9785 3.7863 -2.9848 0.57560
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+Fe+2 + Cl- = FeCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1605
+	-delta_H	3.02503		kJ/mol
+#	deltafH		-61.26		kcal/mol
+	-analytic	8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
+#	Range		0-350
+	-Vm		2.1468 -2.5367 6.7401 -2.6741 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Fe+3 + Cl- = FeCl+2
+	-llnl_gamma	4.5    
+	log_k		-0.8108
+	-delta_H	36.6421		kJ/mol
+#	deltafH		-180.018	kJ/mol
+	-analytic	1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
+#	Range		0-350
+	-Vm		-0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Fe+2 = FeCl2
+	-llnl_gamma	3.0    
+	log_k		-2.4541
+	-delta_H	6.46846		kJ/mol
+#	deltafH		-100.37		kcal/mol
+	-analytic	1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
+#	Range		0-350
+	-Vm		5.5057 5.665 3.5164 -3.0131 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
+ 
+H2O + Fe+2 = FeOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-9.5
+	-analytic	1.706e-1 0 -2.883e3
+#	Range		0-350
+	-Vm		-0.2561 -8.4039 9.0457 -2.4315 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+03,08 match
+ 
+H2O + Fe+3 = FeOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.19
+#	deltafH		-0		kcal/mol
+	-analytic	5.300 0 -2.272e3
+#	Range		0-350
+	-Vm		-1.1562 -10.6009 9.9077 -2.3407 1.43820
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+08 match
+ 
+2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.9625
+	-delta_H	-22.3426	kJ/mol
+#	deltafH		-401.74		kcal/mol
+	-analytic	-4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
+#	Range		0-350
+	-Vm		9.4165 15.2134 -0.2342 -3.4078 0.6223
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-8.3489
+	-delta_H	-37.9907	kJ/mol
+#	deltafH		-521.58		kcal/mol
+	-analytic	-8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
+#	Range		0-350
+	-Vm		16.8116 33.2662 -7.3215 -4.1541 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+  
+Gd+3 + CH3COOH = GdCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.1037
+	-delta_H	-11.7152	kJ/mol
+#	deltafH		-283.1		kcal/mol
+	-analytic	-1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
+#	Range		0-350
+	-Vm		2.8605 -0.7945 6.0567 -2.7461 1.4477
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Gd+3 = GdCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.9476		kJ/mol
+#	deltafH		-307.6		kcal/mol # OBIGT: -330.22 kcal/mol HSS95
+	-analytic	2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
+#	Range		0-350
+	-Vm		-0.953 -10.1036 9.7095 -2.3612 1.1729
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Gd+3 + Cl- = GdCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.7821		kJ/mol
+#	deltafH		-200.6		kcal/mol
+	-analytic	8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
+#	Range		0-350
+	-Vm		-0.263 -8.417 9.0425 -2.4309 1.4006
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Gd+3 = GdCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	21.1961		kJ/mol
+#	deltafH		-239		kcal/mol
+	-analytic	2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
+#	Range		0-350
+	-Vm		2.8492 -0.8272 6.0803 -2.7447 0.6305
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Gd+3 = GdCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	15.895		kJ/mol
+#	deltafH		-280.2		kcal/mol
+	-analytic	4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
+#	Range		0-350
+	-Vm		6.3836 7.8028 2.6888 -3.1015 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Gd+3 = GdCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-1.53971	kJ/mol
+#	deltafH		-324.3		kcal/mol
+	-analytic	4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
+#	Range		0-350
+	-Vm		11.1317 19.3995 -1.8761 -3.5809 1.631
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Gd+3 = GdH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-14.9996	kJ/mol
+#	deltafH		-476.6		kcal/mol
+	-analytic	1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
+#	Range		0-350
+	-Vm		1.6048 -3.8632 7.2686 -2.6192 1.4574
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Gd+3 = GdHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6991
+	-delta_H	10.0332		kJ/mol
+#	deltafH		-326.7		kcal/mol
+	-analytic	4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
+#	Range		0-350
+	-Vm		0.6026 -6.3043 8.2153 -2.5183 1.2048
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+NO3- + Gd+3 = GdNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.4347
+	-delta_H	-25.8195	kJ/mol
+#	deltafH		-219.8		kcal/mol
+	-analytic	2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
+#	Range		0-350
+	-Vm		1.3205 -4.5535 7.5323 -2.5907 1.5475
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	113.039		kJ/mol
+#	deltafH		-205.5		kcal/mol # OBIGT: -196.63 kcal/mol HSS95
+	-analytic	2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
+#	Range		0-350
+	-Vm		2.8425 -0.8409 6.0801 -2.7441 0.3539
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.4333
+	-delta_H	283.817		kJ/mol
+#	deltafH		-233		kcal/mol # OBIGT: -237.73 kcal/mol HSS95
+	-analytic	1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
+#	Range		0-350
+	-Vm		5.0344 4.5111 3.9769 -2.9654 1.0495 -1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.2707
+	-delta_H	224.405		kJ/mol
+#	deltafH		-247.2		kcal/mol
+	-analytic	3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
+#	Range		0-350
+	-Vm		5.0117 4.4582 3.9917 -2.9632 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	79.9855		kJ/mol
+#	deltafH		-213.4		kcal/mol # OBIGT: 212.9 kcal/mol HSS95
+	-analytic	8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
+#	Range		0-350
+	-Vm		2.7389 -1.0936 6.1786 -2.7337 1.1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Gd+3 = GdSO4+
+	-llnl_gamma	4.0    
+	log_k		-3.687
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-376.8		kcal/mol
+	-analytic	3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
+	#analytic	3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
+#	Range		0-350
+	-Vm		1.4776 -4.1705 7.3822 -2.6065 0.7287
+#	Extrapol	supcrt92
+#	Ref		HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
+ 
+2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		12.0709
+	-delta_H	19.7192		kJ/mol
+#	deltafH		-544.6		kcal/mol
+	-analytic	1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
+#	Range		0-350
+	-Vm		9.0963 14.4299 0.076 -3.3754 2.62180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+HPO4-2 + H+ = H2PO4-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	-4.20492	kJ/mol
+#	deltafH		-309.82		kcal/mol
+	-analytic	8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
+#	Range		0-350
+	-Vm		6.4875 8.0594 2.5823 -3.1122 1.3003
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+3 H+ + 2 HPO4-2 = H3P2O7- + H2O
+	-llnl_gamma	4.0    
+	log_k		14.4165
+	-delta_H	21.8112		kJ/mol
+#	deltafH		-544.1		kcal/mol
+	-analytic	2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
+#	Range		0-350
+	-Vm		9.1292 14.5122 0.0398 -3.3788 0.8568
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + HPO4-2 = H3PO4
+	-llnl_gamma	3.0    
+	log_k		9.3751
+	-delta_H	3.74468		kJ/mol
+#	deltafH		-307.92		kcal/mol
+	-analytic	1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
+#	Range		0-350
+	-Vm		8.2727 12.4182 0.8691 -3.2924 -0.22
+#	Extrapol	supcrt92
+#	Ref		SHS89
+ 
+4 H+ + 2 HPO4-2 = H4P2O7 + H2O
+	-llnl_gamma	3.0    
+	log_k		15.9263
+	-delta_H	29.7226		kJ/mol
+#	deltafH		-2268.6		kJ/mol
+	-analytic	6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
+#	Range		0-350
+	-Vm		9.2975 14.9199 -0.113 -3.3957 -0.62920
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82
+ 
+3 H2O + Al+3 = Al(OH)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-16.4329
+	-delta_H	144.704		kJ/mol
+#	deltafH		-230.73		kcal/mol
+	-analytic	4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
+#	Range		0-350
+	-Vm		3.5338 0.8485 5.4132 -2.8140 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel
+ 
+H+ + CN- = HCN
+	-llnl_gamma	3.0    
+	log_k		9.2359
+	-delta_H	-43.5136	kJ/mol
+#	deltafH		25.6		kcal/mol
+	-analytic	1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
+#	Range		0-350
+	-Vm		8.0083 11.7705 1.1286 -3.2655 -0.1113
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+H+ + Cl- = HCl
+	-llnl_gamma	3.0    
+	log_k		-0.67
+#	deltafH		-0		kcal/mol
+	-analytic	4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
+#	Range		0-350
+	-Vm		1.2547 -4.7177 7.6043 -2.5840 -0.7
+#	Extrapol	supcrt92, ?
+#	Ref		MS97, 87rua/sew match
+ 
+H+ + CrO4-2 = HCrO4-
+	-llnl_gamma	4.0    
+	log_k		6.4944
+	-delta_H	2.9288		kJ/mol
+#	deltafH		-209.9		kcal/mol
+	-analytic	4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
+#	Range		0-350
+	-Vm		8.2211 12.2925 0.9174 -3.2871 0.923
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+NO2- + H+ = HNO2
+	-llnl_gamma	3.0    
+	log_k		3.2206
+	-delta_H	-14.782		kJ/mol
+#	deltafH		-119.382	kJ/mol
+	-analytic	1.9653 -1.1603e-4 0 0 1.1569e5
+#	Range		0-350
+	-Vm		5.9151 6.659 3.1378 -3.0542 -0.1507
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82 match
+
+NO3- + H+ = HNO3
+	-llnl_gamma	3.0    
+	log_k		-1.3025
+	-delta_H	16.8155		kJ/mol
+#	deltafH		-45.41		kcal/mol
+	-analytic	9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
+#	Range		0-350
+	-Vm		7.1623 9.7063 1.9367 -3.1802 -0.3066
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SHS89
+
+2 HPO4-2 + H+ = HP2O7-3 + H2O
+	-llnl_gamma	4.0    
+	log_k		5.4498
+	-delta_H	23.3326		kJ/mol
+#	deltafH		-2274.99	kJ/mol
+	-analytic	3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
+#	Range		0-350
+	-Vm		8.3302 12.5558 0.8208 -3.2980 4.647
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
+ 
+SO3-2 + H+ = HSO3-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	9.33032		kJ/mol
+#	deltafH		-149.67		kcal/mol
+	-analytic	5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
+#	Range		0-350
+	-Vm		6.7014 8.5816 2.3771 -0.31338 1.1233
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SO4-2 + H+ = HSO4-
+	-llnl_gamma	4.0    
+	log_k		1.9791
+	-delta_H	20.5016		kJ/mol
+#	deltafH		-212.5		kcal/mol
+	-analytic	4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
+#	Range		0-350
+	-Vm		8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SiO2 + H2O = HSiO3- + H+
+	-llnl_gamma	4.0    
+	log_k		-9.9525
+	-delta_H	25.991		kJ/mol
+#	deltafH		-271.88		kcal/mol
+	-analytic	6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
+#	Range		0-350
+	-Vm		2.9735 -0.5158 5.9467 -2.7575 1.5511
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-10.2914
+	-delta_H	-1.79912	kJ/mol
+#	deltafH		-292.9		kcal/mol
+	-analytic	-2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + CH3COOH = KCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-5.0211
+	-delta_H	4.8116		kJ/mol
+#	deltafH		-175.22		kcal/mol
+	-analytic	-2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + Cl- = KCl
+	-llnl_gamma	3.0    
+	log_k		-1.4946
+	-delta_H	14.1963		kJ/mol
+#	deltafH		-96.81		kcal/mol
+	-analytic	1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
+#	Range		0-350
+	-Vm		6.9932 9.297 2.0889 -3.1633 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 
+ 
+SO4-2 + K+ + H+ = KHSO4
+	-llnl_gamma	3.0    
+	log_k		0.8136
+	-delta_H	29.8319		kJ/mol
+#	deltafH		-270.54		kcal/mol
+	-analytic	1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
+#	Range		0-350
+	-Vm		9.1226 14.4964 0.0453 -3.3782 -0.001
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + K+ = KSO4-
+	-llnl_gamma	4.0    
+	log_k		0.8796
+	-delta_H	2.88696		kJ/mol
+#	deltafH		-276.98		kcal/mol
+	-analytic	9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
+#	Range		0-350
+	-Vm		6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2674
+	-delta_H	-24.7609	kJ/mol
+#	deltafH		-304.67		kcal/mol
+	-analytic	-3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
+#	Range		0-350
+	-Vm		16.3412 32.1211 -6.8785 -4.1068 1.2422
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + CH3COOH = LiCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4589
+	-delta_H	-6.64419	kJ/mol
+#	deltafH		-184.24		kcal/mol
+	-analytic	-3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
+#	Range		0-350
+	-Vm		8.388 12.6976 0.7639 -3.3038 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + Cl- = LiCl
+	-llnl_gamma	3.0    
+	log_k		-1.5115
+	-delta_H	3.36812		kJ/mol
+#	deltafH		-105.68		kcal/mol
+	-analytic	1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
+#	Range		0-350
+	-Vm		5.5837 5.8554 3.4416 -3.021 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.473
+	-delta_H	-23.8195	kJ/mol
+#	deltafH		-349.26		kcal/mol
+	-analytic	-4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
+#	Range		0-350
+	-Vm		12.3982 22.4898 -3.0853 -3.7086 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mg+2 + CH3COOH = MgCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4781
+	-delta_H	-8.42239	kJ/mol
+#	deltafH		-229.48		kcal/mol
+	-analytic	-2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
+#	Range		0-350
+	-Vm		5.4981 5.6424 3.5341 -3.0122 0.7483
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mg+2 + Cl- = MgCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1349
+	-delta_H	-0.58576	kJ/mol
+#	deltafH		-151.44		kcal/mol
+	-analytic	4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
+#	Range		0-350
+	-Vm		2.223 -2.3505 6.6669 -2.6818 0.84490
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + Mg+2 = MgSO4
+	-llnl_gamma	3.0    
+	log_k		2.4117
+	-delta_H	19.6051		kJ/mol
+#	deltafH		-1355.96	kJ/mol
+	-analytic	1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
+#	Range		0-350
+	-Vm		2.4 -0.97 6.1 -2.74 # APP14
+#	Extrapol	supcrt92, 69hel
+#	Ref		MS97, 82mar/smi match
+
+2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.4547
+	-delta_H	-11.4893	kJ/mol
+#	deltafH		-287.67		kcal/mol
+	-analytic	-9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
+#	Range		0-350
+	-Vm		13.1542 24.3405 -3.8236 -3.7851 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.8747
+	-delta_H	-30.3591	kJ/mol
+#	deltafH		-408.28		kcal/mol
+	-analytic	-3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
+#	Range		0-350
+	-Vm		21.6217 45.0124 -11.9409 -4.6397 1.15360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mn+2 + CH3COOH = MnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.5404
+	-delta_H	-3.07942	kJ/mol
+#	deltafH		-169.56		kcal/mol
+	-analytic	-1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
+#	Range		0-350
+	-Vm		6.0776 7.057 2.9786 -3.0706 0.4555
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mn+2 + Cl- = MnCl+
+	-llnl_gamma	4.0    
+	log_k		0.3013
+	-delta_H	18.3134		kJ/mol
+#	deltafH		-88.28		kcal/mol
+	-analytic	8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
+#	Range		0-350
+	-Vm		7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
+	-llnl_gamma	3.5    
+	log_k		-20.2963
+	-delta_H	123.112		kJ/mol
+#	deltafH		-129.4		kcal/mol
+	-analytic	1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
+#	Range		0-350
+	-Vm		7.8248 11.3277 1.2912 -3.2472 0.9248
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+SO4-2 + Mn+2 = MnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3529
+	-delta_H	14.1168		kJ/mol
+#	deltafH		-266.75		kcal/mol
+	-analytic	2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
+#	Range		0-350
+	-Vm		-1.31 -1.83 62.3 -2.7 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
+	-llnl_gamma	4.0    
+	log_k		-0.1928
+	-delta_H	-56.735		kJ/mol
+#	deltafH		-265.2		kcal/mol
+	-analytic	3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
+#	Range		0-350
+	-Vm		19.3685 39.509 -9.7736 -4.4122 0.6495
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+NH3 + H+ = NH4+
+	-llnl_gamma	2.5    
+	log_k		9.2410
+	-delta_H	-51.9234	kJ/mol
+#	deltafH		-31.85		kcal/mol
+	-analytic	-1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
+#	Range		0-350
+	-Vm		3.8763 2.3448 8.5605 -2.8759 0.1502
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + CH3COOH = NH4CH3COO
+	-llnl_gamma	3.0    
+	log_k		4.6964
+	-delta_H	-48.911		kJ/mol
+#	deltafH		-147.23		kcal/mol
+	-analytic	1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
+#	Range		0-350
+	-Vm		11.2849 19.7719 -2.0187 -3.5963 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.9989
+	-delta_H	-11.5771	kJ/mol
+#	deltafH		-292.4		kcal/mol
+	-analytic	-2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
+#	Range		0-350
+	-Vm		16.2062 31.7884 -6.7416 -4.0930 0.9633
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + CH3COOH = NaCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.8606
+	-delta_H	-0.029288	kJ/mol
+#	deltafH		-173.54		kcal/mol
+	-analytic	6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
+#	Range		0-350
+	-Vm		8.3514 12.6125 0.7884 -3.3003 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + Cl- = NaCl
+	-llnl_gamma	3.0    
+	log_k		-0.777
+	-delta_H	5.21326		kJ/mol
+#	deltafH		-96.12		kcal/mol
+	-analytic	1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
+#	Range		0-350
+	-Vm		5.0364 4.5189 3.9669 -2.9658 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SiO2 + Na+ + H2O = NaHSiO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-8.304
+	-delta_H	11.6524		kJ/mol
+#	deltafH		-332.74		kcal/mol
+	-analytic	3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
+#	Range		0-350
+	-Vm		3.4928 0.75 5.4483 -2.8100 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Na+ + H2O = NaOH + H+
+	-llnl_gamma	3.0    
+	log_k		-14.7948
+	-delta_H	53.6514		kJ/mol
+#	deltafH		-112.927	kcal/mol
+	-analytic	8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
+#	Range		0-350
+	-Vm		2.2338 -2.3287 6.6683 -2.6826 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1908
+	-delta_H	-25.8571	kJ/mol
+#	deltafH		-251.28		kcal/mol
+	-analytic	-2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
+#	Range		0-350
+	-Vm		11.1327 19.4031 -1.8801 -3.5810 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.3543
+	-delta_H	-53.6807	kJ/mol
+#	deltafH		-374.03		kcal/mol
+	-analytic	5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
+#	Range		0-350
+	-Vm		19.5212 39.8827 -9.9226 -4.4277 0.1603
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + CH3COOH = NiCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.3278
+	-delta_H	-10.2508	kJ/mol
+#	deltafH		-131.45		kcal/mol
+	-analytic	-3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
+#	Range		0-350
+	-Vm		4.3556 2.8512 4.6343 -2.8968 0.7287
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + Cl- = NiCl+
+	-llnl_gamma	4.0    
+	log_k		-0.9962
+	-delta_H	5.99567		kJ/mol
+#	deltafH		-51.4		kcal/mol
+	-analytic	9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
+#	Range		0-350
+	-Vm		1.1319 -5.0147 7.714 -2.5716 0.8111
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+H2O = OH- + H+
+	-llnl_gamma	3.5    
+	log_k		-13.9951
+	-delta_H	55.8146		kJ/mol
+#	deltafH		-54.977		kcal/mol
+	-analytic	-6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
+#	Range		0-350
+	-Vm		-9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 HPO4-2 = P2O7-4 + H2O
+	-llnl_gamma	4.0    
+	log_k		-3.7463
+	-delta_H	27.2256		kJ/mol
+#	deltafH		-2271.1		kJ/mol
+	-analytic	4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
+#	Range		0-350
+	-Vm		7.0687 9.4773 2.0273 -3.1707 6.9069
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
+ 
+HPO4-2 = PO4-3 + H+
+	-llnl_gamma	4.0    
+	log_k		-12.3218
+	-delta_H	14.7068		kJ/mol
+#	deltafH		-305.3		kcal/mol
+	-analytic	-7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
+#	Range		0-350
+	-Vm		-0.5258 -9.0576 9.2927 -2.4045 5.61140
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+2 H+ + 2 SO3-2 = S2O5-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		9.5934
+#	deltafH		-0		kcal/mol
+	-analytic	0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
+#	Range		0-350
+	-Vm		7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + SO3-2 = SO2 + H2O
+	-llnl_gamma	3.0    
+	log_k		9.0656
+	-delta_H	26.7316		kJ/mol
+#	deltafH		-77.194		kcal/mol
+	-analytic	9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
+#	Range		0-350
+	-Vm		6.9502 9.189 2.1383 -3.1589 -0.0559
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-3.7237
+	-delta_H	-43.1789	kJ/mol
+#	deltafH		-389.32		kcal/mol
+	-analytic	-4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
+#	Range		0-350
+	-Vm		9.2794 14.8737 -0.0899 -3.3938 0.9706
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-6.6777
+	-delta_H	-70.0402	kJ/mol
+#	deltafH		-511.84		kcal/mol
+	-analytic	-5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
+#	Range		0-350
+	-Vm		16.5277 32.5748 -7.0539 -4.1255 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sc+3 + CH3COOH = ScCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.4294
+	-delta_H	-21.7568	kJ/mol
+#	deltafH		-268.1		kcal/mol
+	-analytic	-2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
+#	Range		0-350
+	-Vm		2.7175 -1.1437 6.1937 -2.7316 1.7013
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.7132
+	-delta_H	-25.5224	kJ/mol
+#	deltafH		-403.5		kcal/mol
+	-analytic	-1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
+#	Range		0-350
+	-Vm		9.159 14.5839 0.0138 -3.3818 0.6644
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.8798
+	-delta_H	-43.5554	kJ/mol
+#	deltafH		-523.91		kcal/mol
+	-analytic	-2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
+#	Range		0-350
+	-Vm		16.5088 32.5307 -7.0412 -4.1237 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Sm+3 + CH3COOH = SmCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9205
+	-delta_H	-13.598		kJ/mol
+#	deltafH		-284.55		kcal/mol
+	-analytic	-1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
+#	Range		0-350
+	-Vm		2.6264 -1.3667 6.2827 -2.7224 1.4769
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sm+3 + HCO3- = SmCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.1108		kJ/mol
+#	deltafH		-308.8		kcal/mol # OBIGT: -331.34 kcal/mol HSS95
+	-analytic	2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
+#	Range		0-350
+	-Vm		-1.0455 -10.3293 9.798 -2.3519 1.1907
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + Cl- = SmCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.3637		kJ/mol
+#	deltafH		-201.7		kcal/mol
+	-analytic	9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
+#	Range		0-350
+	-Vm		-0.5006 -8.9988 9.2743 -2.4069 1.4192
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Sm+3 = SmCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	19.9409		kJ/mol
+#	deltafH		-240.3		kcal/mol
+	-analytic	2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
+#	Range		0-350
+	-Vm		2.5888 -1.4617 6.3276 -2.7185 0.6644
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Sm+3 = SmCl3
+	-llnl_gamma	3.0    
+	log_k		-0.3936
+	-delta_H	13.803		kJ/mol
+#	deltafH		-281.7		kcal/mol
+	-analytic	4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
+#	Range		0-350
+	-Vm		6.0808 7.0673 2.9692 -3.0711 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Sm+3 = SmCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.818
+	-delta_H	-5.30531	kJ/mol
+#	deltafH		-326.2		kcal/mol
+	-analytic	6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
+#	Range		0-350
+	-Vm		10.8148 18.6261 -1.5732 -3.5489 1.6917
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HPO4-2 + H+ = SmH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-15.8364	kJ/mol
+#	deltafH		-477.8		kcal/mol
+	-analytic	1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
+#	Range		0-350
+	-Vm		1.3708 -4.4295 7.4801 -2.5958 1.4867
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HCO3- = SmHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.7724
+	-delta_H	9.19643		kJ/mol
+#	deltafH		-327.9		kcal/mol
+	-analytic	5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
+#	Range		0-350
+	-Vm		0.3694 -6.8727 8.4365 -2.4948 1.2366
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + NO3- = SmNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8012
+	-delta_H	-29.1667	kJ/mol
+#	deltafH		-221.6		kcal/mol
+	-analytic	3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
+#	Range		0-350
+	-Vm		1.0908 -5.1124 7.7478 -2.5676 1.5897
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.4837
+	-delta_H	113.039		kJ/mol
+#	deltafH		-206.5		kcal/mol # OBIGT: -197.63 kcal/mol HSS95
+	-analytic	1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
+#	Range		0-350
+	-Vm		2.8115 -0.9157 6.1076 -2.741 0.3837
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-35.0197
+	-delta_H	285.909		kJ/mol
+#	deltafH		-233.5		kcal/mol # OBIGT: -238.22 kcal/mol HSS95
+	-analytic	1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
+#	Range		0-350
+	-Vm		4.9642 4.3393 4.0456 -2.9583 1.0848
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.9304
+	-delta_H	226.497		kJ/mol
+#	deltafH		-247.7		kcal/mol
+	-analytic	3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
+#	Range		0-350
+	-Vm		4.9296 4.2552 4.0768 -2.9548 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9808
+	-delta_H	79.1487		kJ/mol
+#	deltafH		-214.6		kcal/mol # OBIGT: -213.97 kcal/mol HSS95
+	-analytic	6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
+#	Range		0-350
+	-Vm		2.7076 -1.1676 6.2027 -2.7306 1.1289
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + SO4-2 = SmSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-377.8		kcal/mol
+	-analytic	3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
+#	Range		0-350
+	-Vm		-1.3885 -4.3882 7.4678 -2.5975 0.7483
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+UO2+2 + H2O = UO2OH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-5.2073
+	-delta_H	43.1813		kJ/mol
+#	deltafH		-1261.66	kJ/mol
+	-analytic	3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
+#	Range		0-350
+	-Vm		4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-6.062
+	-delta_H	-11.0458	kJ/mol
+#	deltafH		-271.5		kcal/mol
+	-analytic	-2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
+#	Range		0-350
+	-Vm		11.7443 20.8978 -2.4707 -3.6429 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-10.0715
+	-delta_H	25.355		kJ/mol
+#	deltafH		-378.9		kcal/mol
+	-analytic	3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
+#	Range		0-350
+	-Vm		20.0332 41.1373 -10.4257 -4.4796 1.2513
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+   
+Zn+2 + CH3COOH = ZnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.1519
+	-delta_H	-9.87424	kJ/mol
+#	deltafH		-155.12		kcal/mol
+	-analytic	-7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
+#	Range		0-350
+	-Vm		4.8484 4.06 4.1473 -2.9468 0.41
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Zn+2 + Cl- = ZnCl+
+	-llnl_gamma	4.0    
+	log_k		0.1986
+	-delta_H	43.317		kJ/mol
+#	deltafH		-66.24		kcal/mol
+	-analytic	1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
+#	Range		0-350
+	-Vm		14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 Cl- + Zn+2 = ZnCl2
+	-llnl_gamma	3.0    
+	log_k		0.2507
+	-delta_H	31.1541		kJ/mol
+#	deltafH		-109.08		kcal/mol
+	-analytic	1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
+#	Range		0-350
+	-Vm		-10.1 4.57 241 -2.97 -1e-3 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+3 Cl- + Zn+2 = ZnCl3-
+	-llnl_gamma	4.0    
+	log_k		-0.0198
+	-delta_H	22.5894		kJ/mol
+#	deltafH		-151.06		kcal/mol
+	-analytic	1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
+#	Range		0-350
+	-Vm		0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+4 Cl- + Zn+2 = ZnCl4-2
+	-llnl_gamma	4.0    
+	log_k		0.8605
+	-delta_H	4.98733		kJ/mol
+#	deltafH		-195.2		kcal/mol
+	-analytic	8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
+#	Range		0-300
+	-Vm		28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97?
+ 
+Zn+2 + H2O = ZnOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-8.96
+#	deltafH		-0		kcal/mol
+	-analytic	-7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
+#	Range		25-300
+	-Vm		1.1499 -4.9677 7.6896 -2.5735 0.326
+#	Extrapol	supcrt92, ?
+#	Ref		SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
+ 
+Zn+2 + SO4-2 = ZnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3062
+	-delta_H	15.277		kJ/mol
+#	deltafH		-1047.71	kJ/mol
+	-analytic	1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
+#	Range		0-200
+	-Vm		2.51 0 18.8 # APP14
+#	Extrapol	69hel
+#	Ref		WEP+82
+
+#---------------------------
+# carbfix.dat additions and changes
+#---------------------------
+
+HS- + H+ = H2S
+	-llnl_gamma	3.0
+	log_k		6.97791 # SS97
+	-analytic	-782.43945 -0.361261 20565.7315 328.67496 0 1.6722e-4 # SS97
+	-Vm		7.81 2.96 -0.46 # phreeqc.dat
+
+2 H2O + Al+3 = Al(OH)2+ + 2 H+
+	-llnl_gamma	4.0
+	log_k		-10.5945 # llnl.dat
+	-analytic	4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001 # llnl.dat
+	-Vm			2.1705 -2.4811 6.7241 -2.6763 0.95700 0 0 0 0 0 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Al+3 + SiO2 + 2 H2O = AlH3SiO4+2 + H+
+	-llnl_gamma	4.5
+	log_k		-2.38 # P+96
+	-analytic	5.241793953846094 0.005624769230769303 -2772.442855034987 0 0 0 # P+96
+	-Vm			0.16 -7.23 8.61 -2.4800 0.88000 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+SO4-2 + Al+3 = AlSO4+
+	-llnl_gamma	4.0
+	log_k		3.17527 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-6034.286233487146 -2.009118445366823 225586.09598339273 2388.3098402377414 -8.473342720127227e6 0.000736431615071334 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			1.833 -3.3057 7.0494 -2.6423 2.4143 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+4 H2O + Na+ + Al+3 = NaAl(OH)4 + 4 H+
+	-llnl_gamma	3.0
+	log_k		-22.9 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-319.6003434647659 -0.1452549158200939 2048.487394301387 134.79387929123214 -579779.0987586592 0.00006885771169878286 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			9.1267 14.3411 0.1121 -3.3719 0 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Mg+2 + CO3-2 = MgCO3
+	-llnl_gamma	3.0
+	log_k		3.01 # SBS14
+	-analytic	5.5093 -0.00017143 -734.208 0 0 0 # SBS14
+	-Vm			-0.7355 -9.5745 9.5062 -2.3831 -0.038 # SSH97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Mg+2 + HCO3- = MgHCO3+
+	-llnl_gamma	4.0
+	log_k		1.10 # SBS14
+	-analytic	-8.8935 0.01694 1474.786 0 0 0 # SBS14
+	-Vm			3.271 0.206 5.669 -2.7880 0.59900 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + CO3-2 = NaCO3-
+	-llnl_gamma	4.0
+	log_k		1.01 # SBS13
+	-analytic	4.1659 0 -941.150 0 0 0 # SBS13
+	-Vm			7.642732 2.993503 2.328077 -2.902751 1.507948 # DEW17 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + HCO3- = NaHCO3
+	-llnl_gamma	3.0
+	log_k		-0.18 # SBS13
+	-analytic	1.8528 0 -606.240 0 0 0 # SBS13
+	-Vm			0.431 # APP14
+
+HCO3- + Ca+2 = CaHCO3+
+	-llnl_gamma	4.0
+	log_k		1.0467 # llnl.dat
+	-analytic	5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000 # llnl.dat
+	-Vm			3.706 1.267 5.252 -2.8310 0.30800 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + SO4-2 = NaSO4-
+	-llnl_gamma	4.0
+	log_k		0.702779 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08
+	-analytic	-1515.4130255698833 -0.5496881710640973 53009.74446438346 607.5403646933713 -1.7958467164664706e6 0.00021478523226344507 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # APP14
+
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+	-llnl_gamma	4.0
+	log_k		-5.6502 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-311.3248470052558 -0.1252808696431922 9665.364708433648 127.49811415837463 -849396.8730633351 0.00005263379396466626 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			-3.7118 -16.8408 12.3595 -2.0827 0.7191 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+	-llnl_gamma	3.0
+	log_k		-12.0185 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-741.3725966104283 -0.26505708328056 26205.378230673232 296.5340355414264 -1.972081032472368e6 0.00010032479998977653 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			2.7401 -1.0905 6.1776 -2.7338 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+	-llnl_gamma	4.0
+	log_k		-21.6225 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	1533.5014901840032 0.45075510400897445 -69859.23735739749 -593.4694075764281 2.3641904800567343e6 -0.00014964010950998835 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			2.3837 -1.9602 6.5182 -2.6979 1.4662 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+2 H2O + Fe+2 = Fe(OH)2 + 2 H+
+	-llnl_gamma	3.0
+	log_k		-20.4049 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-325.1339790725869 -0.1345716716871417 5315.653600095374 132.16984714439332 -459607.68923879805 0.000057906348553908315 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			-0.5029 -9.0053 9.2791 -2.4066 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+3 H2O + Fe+2 = Fe(OH)3- + 3 H+
+	-llnl_gamma	4.0
+	log_k		-29.208 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	1906.044327275795 0.5662477247894362 -88119.68431429783 -741.1535184277503 3.7592690582787376e6 -0.0001898657106678743 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			0.6272 -6.244 8.1905 -2.5208 1.8564 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + ClO- = HClO
+	-llnl_gamma	3.0
+	log_k		7.55236 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2041.6086043936152 -0.6683042462929405 80422.12116400951 805.7772200117705 -3.2667035060825506e6 0.00024280864184851264 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			5.5927 5.8751 3.4387 -3.0218 -0.1734 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + ClO2- = HClO2
+	-llnl_gamma	3.0
+	log_k		1.98189 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2249.8186120868168 -0.7355468012526403 86690.01133768198 887.6588357902062 -3.5397309172713878e6 0.00026672471518723433 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			7.6706 10.9455 1.4527 -3.2314 -0.3415 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + S2O3-- = HS2O3-
+	-llnl_gamma	4.0
+	log_k		1.68836 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-1611.0948316547294 -0.5495686401519247 59194.43018784251 640.1240524484979 -2.166923306383505e6 0.00020844502892650532 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			6.1964 7.351 2.8549 -3.0828 1.1676 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+K+ + H2O = KOH + H+
+	-llnl_gamma	3.0
+	log_k		-14.4386 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-477.55011247018905 -0.1442523288404146 18222.588641689916 183.69951482387626 -1.2139398662316576e6 0.0000461802984447927 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			3.7938 1.4839 5.1619 -2.8402 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+
+
+#---------------------------
+# 66 other aqueous species
+#---------------------------
+H2O +  Ba+2 +  B(OH)3  =  BaB(OH)4+ + H+
+        -llnl_gamma           4.0    
+        log_k           -7.8012
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+  HCO3- +  Ba+2  =  BaCO3 + H+
+        -llnl_gamma           3.0    
+        log_k           -7.6834
+	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
+#	Enthalpy of formation:	-285.85 kcal/mol
+        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
+#       -Range:  0-300
+
+ Cl- +  Ba+2  =  BaCl+
+        -llnl_gamma           4.0    
+        log_k           -0.4977
+	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
+#	Enthalpy of formation:	-165.77 kcal/mol
+        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
+#       -Range:  0-300
+
+ F- +  Ba+2  =  BaF+
+        -llnl_gamma           4.0    
+        log_k           -0.1833
+	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
+#	Enthalpy of formation:	-206.51 kcal/mol
+        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
+#       -Range:  0-300
+
+ NO3- +  Ba+2  =  BaNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.9
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ H2O +  Ba+2  =  BaOH+ + H+
+        -llnl_gamma           4.0    
+        log_k           -13.47
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
+#	Enthalpy of formation:	-0 kcal/mol
+
+
+Ce+3 + 0.5 H2O  =  Ce+2 + H+ +0.25 O2 
+        -llnl_gamma           4.5    
+        log_k           -83.6754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+H+ +  Ce+3 + 0.25 O2  =  Ce+4 +0.5 H2O 
+        -llnl_gamma           5.5    
+        log_k           -7.9154
+	-delta_H	0	      	# Not possible to ca
+	
+2.0 HCO3- +  Ce+3  =  Ce(CO3)2- +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -8.1576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Ce+3  =  Ce(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +8.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O +  Ce+4  =  Ce(OH)2+2 +2.0 H+
+        -llnl_gamma           4.5    
+        log_k           +2.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Ce+3  =  Ce(PO4)2-3 +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -6.1437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O + 2.0 Ce+4  =  Ce2(OH)2+6 +2.0 H+
+        -llnl_gamma           6.0    
+        log_k           +3.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0 H2O + 3.0 Ce+3  =  Ce3(OH)5+4 +5.0 H+
+        -llnl_gamma           5.5    
+        log_k           -33.4754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
+#	Enthalpy of formation:	-0 kcal/mol
+
+HCO3- +  Ce+3  =  CeCO3+ + H+
+        -llnl_gamma           4.0    
+        log_k           -2.9284
+	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
+#	Enthalpy of formation:	-309.988 kcal/mol
+        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
+#       -Range:  0-300
+
+Cl- +  Ce+3  =  CeCl+2
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
+#	Enthalpy of formation:	-203.8 kcal/mol
+        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
+#       -Range:  0-300
+
+2.0 Cl- +  Ce+3  =  CeCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.0308
+	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
+#	Enthalpy of formation:	-242.3 kcal/mol
+        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
+#       -Range:  0-300
+
+3.0 Cl- +  Ce+3  =  CeCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3936
+	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
+#	Enthalpy of formation:	-283.5 kcal/mol
+        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
+#       -Range:  0-300
+
+4.0 Cl- +  Ce+3  =  CeCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.7447
+	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
+#	Enthalpy of formation:	-327.6 kcal/mol
+        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
+#       -Range:  0-300
+
+ClO4- +  Ce+3  =  CeClO4+2
+        -llnl_gamma           4.5    
+        log_k           +1.9102
+	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
+#	Enthalpy of formation:	-210.026 kcal/mol
+        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
+#       -Range:  0-300
+
+F- +  Ce+3  =  CeF+2
+        -llnl_gamma           4.5    
+        log_k           +4.2221
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
+#	Enthalpy of formation:	-242 kcal/mol
+        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
+#       -Range:  0-300
+
+2.0 F- +  Ce+3  =  CeF2+
+        -llnl_gamma           4.0    
+        log_k           +7.2714
+	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
+#	Enthalpy of formation:	-324.1 kcal/mol
+        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
+#       -Range:  0-300
+
+3.0 F- +  Ce+3  =  CeF3
+        -llnl_gamma           3.0    
+        log_k           +9.5144
+	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
+#	Enthalpy of formation:	-409.3 kcal/mol
+        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
+#       -Range:  0-300
+
+4.0 F- +  Ce+3  =  CeF4-
+        -llnl_gamma           4.0    
+        log_k           +11.3909
+	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
+#	Enthalpy of formation:	-498.9 kcal/mol
+        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
+#       -Range:  0-300
+
+HPO4-2 +  H+ +  Ce+3  =  CeH2PO4+2
+        -llnl_gamma           4.5    
+        log_k           +9.6684
+	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
+#	Enthalpy of formation:	-480.1 kcal/mol
+        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
+#       -Range:  0-300
+
+HCO3- +  Ce+3  =  CeHCO3+2
+        -llnl_gamma           4.5    
+        log_k           +1.9190
+	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
+#	Enthalpy of formation:	-330.2 kcal/mol
+        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
+#       -Range:  0-300
+
+HPO4-2 +  Ce+3  =  CeHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+
+NO3- +  Ce+3  =  CeNO3+2
+        -llnl_gamma           4.5    
+        log_k           +1.3143
+	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
+#	Enthalpy of formation:	-223.2 kcal/mol
+        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
+#       -Range:  0-300
+
+H2O +  Ce+3  =  CeO+ +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -16.4103
+	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
+#	Enthalpy of formation:	-208.9 kcal/mol
+        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
+#       -Range:  0-300
+
+2.0 H2O +  Ce+3  =  CeO2- +4.0 H+
+        -llnl_gamma           4.0    
+        log_k           -38.758
+	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
+#	Enthalpy of formation:	-230.3 kcal/mol
+        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
+#       -Range:  0-300
+
+2.0 H2O +  Ce+3  =  CeO2H +3.0 H+
+        -llnl_gamma           3.0    
+        log_k           -26.1503
+	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
+#	Enthalpy of formation:	-249.5 kcal/mol
+        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
+#       -Range:  0-300
+
+H2O +  Ce+3  =  CeOH+2 + H+
+        -llnl_gamma           4.5    
+        log_k           -8.4206
+	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
+#	Enthalpy of formation:	-218.2 kcal/mol
+        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
+#       -Range:  0-300
+
+H2O +  Ce+4  =  CeOH+3 + H+
+        -llnl_gamma           5.0    
+        log_k           +3.2049
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+HPO4-2 +  Ce+3  =  CePO4 + H+
+        -llnl_gamma           3.0    
+        log_k           -0.9718
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+SO4-2 +  Ce+3  =  CeSO4+
+        -llnl_gamma           4.0    
+        log_k           -3.687
+	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
+#	Enthalpy of formation:	-380.2 kcal/mol
+        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
+#       -Range:  0-300	
+
+2.0 H+ +  Pb+2 + 0.5 O2  =  Pb+4 + H2O 
+        -llnl_gamma           5.5    
+        log_k           -14.1802
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
+#	Enthalpy of formation:	-0 kcal/mol
+
+2.0 HCO3- +  Pb+2  =  Pb(CO3)2-2 +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -11.2576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 ClO3- +  Pb+2  =  Pb(ClO3)2
+        -llnl_gamma           3.0    
+        log_k           -0.5133
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O +  Pb+2  =  Pb(OH)2 +2.0 H+
+        -llnl_gamma           3.0    
+        log_k           -17.0902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0 H2O +  Pb+2  =  Pb(OH)3- +3.0 H+
+        -llnl_gamma           4.0    
+        log_k           -28.0852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 Pb+2 +  H2O  =  Pb2OH+3 + H+
+        -llnl_gamma           5.0    
+        log_k           -6.3951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0 H2O + 3.0 Pb+2  =  Pb3(OH)4+2 +4.0 H+
+        -llnl_gamma           4.5    
+        log_k           -23.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0 Pb+2 + 4.0 H2O  =  Pb4(OH)4+4 +4.0 H+
+        -llnl_gamma           5.5    
+        log_k           -20.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+8.0 H2O + 6.0 Pb+2  =  Pb6(OH)8+4 +8.0 H+
+        -llnl_gamma           5.5    
+        log_k           -43.5606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+
+ Pb+2 +  HCO3-  =  PbCO3 + H+
+        -llnl_gamma           3.0    
+        log_k           -3.7488
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  Cl-  =  PbCl+
+        -llnl_gamma           4.0    
+        log_k           +1.4374
+	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
+#	Enthalpy of formation:	-38.63 kcal/mol
+        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
+#       -Range:  0-300
+
+2.0 Cl- +  Pb+2  =  PbCl2
+        -llnl_gamma           3.0    
+        log_k           +2.0026
+	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
+#	Enthalpy of formation:	-77.7 kcal/mol
+        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
+#       -Range:  0-300
+
+3.0 Cl- +  Pb+2  =  PbCl3-
+        -llnl_gamma           4.0    
+        log_k           +1.6881
+	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
+#	Enthalpy of formation:	-117.7 kcal/mol
+        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
+#       -Range:  0-300
+
+4.0 Cl- +  Pb+2  =  PbCl4-2
+        -llnl_gamma           4.0    
+        log_k           +1.4909
+	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
+#	Enthalpy of formation:	-161.23 kcal/mol
+        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
+#       -Range:  0-300
+
+ Pb+2 +  ClO3-  =  PbClO3+
+        -llnl_gamma           4.0    
+        log_k           -0.2208
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  F-  =  PbF+
+        -llnl_gamma           4.0    
+        log_k           +0.8284
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 F- +  Pb+2  =  PbF2
+        -llnl_gamma           3.0    
+        log_k           +1.6132
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  HPO4-2 +  H+  =  PbH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +1.5
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  HPO4-2  =  PbHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  NO3-  =  PbNO3+
+        -llnl_gamma           4.0    
+        log_k           +1.2271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  H2O  =  PbOH+ + H+
+        -llnl_gamma           4.0    
+        log_k           -7.6951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Pb+2  =  PbP2O7-2 + H2O
+        -llnl_gamma           4.0    
+        log_k           +7.4136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+
+1.0 Sr+2 + 1.0 HCO3-  =  SrCO3 +1.0 H+
+        -llnl_gamma           3.0    
+        log_k           -7.4635
+	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
+#	Enthalpy of formation:	-288.62 kcal/mol
+        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 Cl-  =  SrCl+
+        -llnl_gamma           4.0    
+        log_k           -0.2485
+	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
+#	Enthalpy of formation:	-169.79 kcal/mol
+        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 F-  =  SrF+
+        -llnl_gamma           4.0    
+        log_k           +0.1393
+	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
+#	Enthalpy of formation:	-210.67 kcal/mol
+        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 HPO4-2 + 1.0 H+  =  SrH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +0.7300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 HPO4-2  =  SrHPO4
+        -llnl_gamma           3.0    
+        log_k           +2.0600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 NO3-  =  SrNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 H2O  =  SrOH+ +1.0 H+
+        -llnl_gamma           4.0    
+        log_k           -13.29
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 + 1.0 Sr+2  =  SrP2O7-2 +1.0 H2O
+        -llnl_gamma           4.0    
+        log_k           +1.6537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 SO4-2  =  SrSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
+#	Enthalpy of formation:	-0 kcal/mol
+
+
+
+PHASES
+
+#------------
+# 375 solids 
+#------------
+
+[(6)(CB)(CB)S]
+	S + O2 = SO2
+	log_k		63.04
+	-analytic	137.16 -0.320465 0 0 0 0.000241
+#	Range		0-350
+	-Vm		16.5
+#	Extrapol	supcrt92
+#	Ref		R01, calculations and fit by N17
+
+[(aro)-O-(aro)]
+	O = 0.5 O2
+	log_k		-20.610681
+	-delta_H	30.240		kcal/mol
+	-analytic	-46.6 0.111 0 0 0 -7.99e-5
+#	Range		0-350
+	-Vm		-2.4
+#	Extrapol	supcrt92
+#	Ref		RH98
+
+Afwillite
+	Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
+	log_k		60.0452
+	-delta_H	-316.059	kJ/mol
+#	deltafH		-1143.31	kcal/mol
+	-analytic	1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
+#	Range		0-300
+	-Vm		129.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Akermanite
+	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
+	log_k		45.3190
+	-delta_H	-288.575	kJ/mol
+#	deltafH		-926.497	kcal/mol
+	-analytic	-4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
+#	Range		0-350
+	-Vm		92.81
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Al
+	Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
+	log_k		149.9292
+	-delta_H	-958.059	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
+#	Range		0-300
+	-Vm		9.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Al2(SO4)3
+	Al2(SO4)3 = 2 Al+3 + 3 SO4-2
+	log_k		19.0535
+	-delta_H	-364.566	kJ/mol
+#	deltafH		-3441.04	kJ/mol
+	-analytic	-6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
+#	Range		0-300
+	-Vm		126.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Alabandite
+	MnS + H+ = HS- + Mn+2
+	log_k		-0.3944
+	-delta_H	-23.3216	kJ/mol
+#	deltafH		-51		kcal/mol
+	-analytic	-1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
+#	Range		0-350
+	-Vm		21.46
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_high
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		4.0832
+	-delta_H	-62.8562	kJ/mol
+#	deltafH		-937.05		kcal/mol
+	-analytic	-1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_low
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Alum-K
+	KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
+	log_k		-4.8818
+	-delta_H	14.4139		kJ/mol
+#	deltafH		-1447		kcal/mol
+	-analytic	-8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
+#	Range		0-300
+	-Vm		269.54 # Marion+09
+#	Extrapol	Cp integration
+#	Ref		73bar/kna 
+
+Alunite
+	KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
+	log_k	-0.3479
+	-delta_H	-231.856	kJ/mol
+#	deltafH		-1235.6		kcal/mol
+	-analytic	-6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
+#	Range		0-350
+	-Vm		205.40 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Amesite-14A
+	Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
+	log_k		75.4571
+	-delta_H	-797.098	kJ/mol
+#	deltafH		-2145.67	kcal/mol
+	-analytic	-5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
+#	Range		0-300
+	-Vm		205.4
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Andalusite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.9445
+	-delta_H	-235.233	kJ/mol
+#	deltafH		-615.866	kcal/mol
+	-analytic	-7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
+#	Range		0-350
+	-Vm		51.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C
+
+Andradite
+	Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		33.3352
+	-delta_H	-301.173	kJ/mol
+#	deltafH		-1380.35	kcal/mol
+	-analytic	1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
+#	Range		0-350
+	-Vm		131.85
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	log_k		-4.3064
+	-delta_H	-18.577		kJ/mol
+#	deltafH		-342.76		kcal/mol
+	-analytic	-2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
+#	Range		0-350
+	-Vm		45.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Annite
+	KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
+	log_k		29.4693
+	-delta_H	-259.964	kJ/mol
+#	deltafH		-1232.19	kcal/mol
+	-analytic	-4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
+#	Range		0-350
+	-Vm		154.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anorthite
+	CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
+	log_k		26.5780
+	-delta_H	-303.039	kJ/mol
+#	deltafH		-1007.55	kcal/mol
+	-analytic	3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
+#	Range		0-350
+	-Vm		100.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anthophyllite
+	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
+	log_k		66.7965
+	-delta_H	-483.486	kJ/mol
+#	deltafH		-2888.75	kcal/mol
+	-analytic	-1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
+#	Range		0-350
+	-Vm		264.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Antigorite
+	Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O 
+	log_k		477.1943
+	-delta_H	-3364.43	kJ/mol
+#	deltafH		-17070.9	kcal/mol
+	-analytic	-8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
+#	Range		0-350
+	-Vm		1749.13
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Aragonite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.9931
+	-delta_H	-25.8027	kJ/mol
+#	deltafH		-288.531	kcal/mol
+	-analytic	-1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
+#	Range		0-325
+	-Vm		34.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Arcanite
+	K2SO4 = SO4-2 + 2 K+
+	log_k		-1.8008
+	-delta_H	23.836		kJ/mol
+#	deltafH		-1437.78	kJ/mol
+	-analytic	-1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
+#	Range		0-300
+	-Vm		65.50 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Artinite
+	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
+	log_k		19.6560
+	-delta_H	-130.432	kJ/mol
+#	deltafH		-698.043	kcal/mol
+	-analytic	-2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
+#	Range		0-350
+	-Vm		96.9 # 97.85 Webmineral.com
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Atacamite
+	Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
+	log_k		14.2836
+	-delta_H	-132.001	kJ/mol
+#	deltafH		-1654.43	kJ/mol
+	-analytic	-2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
+#	Range		0-200
+	-Vm		56.80 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Azurite
+	Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
+	log_k		9.1607
+	-delta_H	-122.298	kJ/mol
+#	deltafH		-390.1		kcal/mol
+	-analytic	-4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
+#	Range		0-350
+	-Vm		91.01
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+B
+	B + 1.5 H2O + 0.75 O2 = B(OH)3
+	log_k		109.5654
+	-delta_H	-636.677	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
+#	Range		0-300
+	-Vm		4.386 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+B2O3
+	B2O3 + 3 H2O = 2 B(OH)3
+	log_k		5.5464
+	-delta_H	-18.0548	kJ/mol
+#	deltafH		-1273.5		kJ/mol
+	-analytic	9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
+#	Range		0-300
+	-Vm		28.30 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bassanite
+	CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
+	log_k		-3.6615
+	-delta_H	-18.711		kJ/mol
+#	deltafH		-1576.89	kJ/mol
+	-analytic	-2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
+#	Range		0-300
+	-Vm		52.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bassetite
+	Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-17.7240
+	-delta_H	-114.841	kJ/mol
+#	deltafH		-1099.33	kcal/mol
+	-analytic	-5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
+#	Range		0-200
+	-Vm		256.19 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Beidellite-Ca
+        Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5914
+	-delta_H	-162.403	kJ/mol
+#	deltafH		-1370.66	kcal/mol
+	-analytic	3.872e1 -1.431e-1 0 0 0 9.036e-5
+#	Range		0-300
+	-Vm		133.081
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C
+
+Beidellite-Fe 
+	Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		4.6335
+	-delta_H	-154.65		kJ/mol
+#	deltafH		-1351.1		kcal/mol
+	-analytic	3.641e1 -1.391e-1 0 0 0 8.671e-5
+#	Range		0-300
+	-Vm		134.293
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Beidellite-K
+	K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.3088
+	-delta_H	-150.834	kJ/mol
+#	deltafH		-1371.9		kcal/mol
+	-analytic	3.307e1 -1.254e-1 0 0 0 7.660e-5
+#	Range		0-300
+	-Vm		137.214
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C
+
+Beidellite-Mg
+	Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5537
+	-delta_H	-165.455	kJ/mol
+#	deltafH		-1366.89	kcal/mol
+	-analytic	3.750e1 -1.415e-1 0 0 0 8.929e-5
+#	Range		0-300
+	-Vm		132.116
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C
+
+Beidellite-Na
+	Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.6473
+	-delta_H	-155.846	kJ/mol
+#	deltafH		-1369.76	kcal/mol
+	-analytic	3.613e1 -1.347e-1 0 0 0 8.470e-5
+#	Range		0-300
+	-Vm		134.522
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C
+
+Berlinite
+	AlPO4 + H+ = Al+3 + HPO4-2
+	log_k		-7.2087
+	-delta_H	-96.6313	kJ/mol
+#	deltafH		-1733.85	kJ/mol
+	-analytic	-2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
+#	Range		0-300
+	-Vm		46.19 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bieberite
+	CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
+	log_k		-2.5051
+	-delta_H	11.3885		kJ/mol
+#	deltafH		-2980.02	kJ/mol
+	-analytic	-2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
+#	Range		0-300
+	-Vm		147.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bixbyite
+	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+	log_k		-0.9655
+	-delta_H	-190.545	kJ/mol
+#	deltafH		-958.971	kJ/mol
+	-analytic	-1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
+#	Range		0-300
+	-Vm		31.89 # Webmineral.com, density 4.95
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Boehmite
+	AlO2H + 3 H+ = Al+3 + 2 H2O
+	log_k		7.5642
+	-delta_H	-113.282	kJ/mol
+#	deltafH		-238.24		kcal/mol
+	-analytic	-1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
+#	Range		0-225
+	-Vm		19.535
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Borax
+	Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
+	log_k		12.0395
+	-delta_H	80.5145		kJ/mol
+#	deltafH		-6288.44	kJ/mol
+	-analytic	7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
+#	Range		0-300
+	-Vm		222.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Boric_acid
+	B(OH)3 = B(OH)3
+	log_k		-0.1583
+	-delta_H	20.2651		kJ/mol
+#	deltafH		-1094.8		kJ/mol
+	-analytic	3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
+#	Range		0-300
+	-Vm		43.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bornite
+	Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
+	log_k		-102.4369
+	-delta_H	530.113		kJ/mol
+#	deltafH		-79.922		kcal/mol
+	-analytic	-7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
+#	Range		0-350
+	-Vm		98.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Brezinaite
+	Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
+	log_k		2.7883
+	-delta_H	-216.731	kJ/mol
+#	deltafH		-111.9		kcal/mol
+	-analytic	-7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
+#	Range		0-200
+	-Vm		69.16 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Brochantite
+	Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
+	log_k		15.4363
+	-delta_H	-163.158	kJ/mol
+#	deltafH		-2198.72	kJ/mol
+	-analytic	-2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
+#	Range		0-200
+	-Vm		113.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Brucite
+	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k		16.2980
+	-delta_H	-111.34		kJ/mol
+#	deltafH		-221.39		kcal/mol
+	-analytic	-1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
+#	Range		0-350
+	-Vm		24.63
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Bunsenite
+	NiO + 2 H+ = H2O + Ni+2
+	log_k		12.4719
+	-delta_H	-100.069	kJ/mol
+#	deltafH		-57.3		kcal/mol
+	-analytic	-8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
+#	Range		0-350
+	-Vm		10.97
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+C
+	C + H2O + O2 = H+ + HCO3-
+	log_k		64.1735
+	-delta_H	-391.961	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
+#	Range		0-350
+	-Vm		5.298
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca
+	Ca  +2 H+ + 0.5 O2 = Ca+2 + H2O
+	log_k		139.8465
+	-delta_H	-822.855	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
+#	Range		0-300
+	-Vm		26.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ca-Al_Pyroxene
+	CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
+	log_k		35.9759
+	-delta_H	-361.548	kJ/mol
+#	deltafH		-783.793	kcal/mol
+	-analytic	-1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
+#	Range		0-350
+	-Vm		63.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca3Al2O6
+	Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
+	log_k		113.0460
+	-delta_H	-833.336	kJ/mol
+#	deltafH		-857.492	kcal/mol
+	-analytic	-2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
+#	Range		0-200
+	-Vm		88.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Ca4Al2Fe2O10
+	Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
+	log_k		140.5050
+	-delta_H	-1139.86	kJ/mol
+#	deltafH		-1211		kcal/mol
+	-analytic	-4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
+#	Range		0-200
+	-Vm		130.28 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaAl2O4
+	CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
+	log_k		46.9541
+	-delta_H	-436.952	kJ/mol
+#	deltafH		-555.996	kcal/mol
+	-analytic	-3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
+#	Range		0-300
+	-Vm		53.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+CaAl4O7
+	CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
+	log_k		68.6138
+	-delta_H	-718.464	kJ/mol
+#	deltafH		-951.026	kcal/mol
+	-analytic	-3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
+#	Range		0-200
+	-Vm		89.35 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaUO4
+	CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
+	log_k		15.9420
+	-delta_H	-131.46		kJ/mol
+#	deltafH		-2002.3		kJ/mol
+	-analytic	-8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
+#	Range		0-300
+	-Vm		45.92 # M13
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Calcite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.8487
+	-delta_H	-25.7149	kJ/mol
+#	deltafH		-288.552	kcal/mol
+	-analytic	-1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
+#	Range		0-350
+	-Vm		36.934
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cattierite
+	CoS2 = Co+2 + S2-2
+	log_k		-29.9067
+#	deltafH		-36.589		kcal/mol
+	-analytic	-2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
+#	Range		0-300
+	-Vm		25.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Celadonite
+	KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
+	log_k		7.4575
+	-delta_H	-74.3957	kJ/mol
+#	deltafH		-1394.9		kcal/mol
+	-analytic	-3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
+#	Range		0-300
+	-Vm		157.1
+#	Extrapol	supcrt92, Cp integration
+#	Ref		HDN+78, 78wol match
+
+Chalcanthite
+	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+	log_k		-2.6215
+	-delta_H	6.57556		kJ/mol
+#	deltafH		-2279.68	kJ/mol
+	-analytic	-1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
+#	Range		0-200
+	-Vm		108.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Chalcedony
+	SiO2 = SiO2
+	log_k		-3.7281
+	-delta_H	31.4093		kJ/mol
+#	deltafH		-217.282	kcal/mol
+	-analytic	-9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocite
+	Cu2S + H+ = HS- + 2 Cu+
+	log_k		-34.7342
+	-delta_H	206.748		kJ/mol
+#	deltafH		-19		kcal/mol
+	-analytic	-1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
+#	Range		0-350
+	-Vm		27.48
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocyanite
+	CuSO4 = Cu+2 + SO4-2
+        log_k		2.9239
+	-delta_H	-72.5128	kJ/mol
+#	deltafH		-771.4		kJ/mol
+	-analytic	5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
+#	Range		0-200
+	-Vm		40.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		CWM89
+
+Chalcopyrite
+	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+	log_k		-32.5638
+	-delta_H	127.206		kJ/mol
+#	deltafH		-44.453		kcal/mol
+	-analytic	-3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
+#	Range		0-350
+	-Vm		42.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chloromagnesite
+	MgCl2 = Mg+2 + 2 Cl-
+	log_k		21.8604
+	-delta_H	-158.802	kJ/mol
+#	deltafH		-641.317	kJ/mol
+	-analytic	-2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
+#	Range		0-300
+	-Vm		40.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Chromite
+	FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
+	log_k		15.1685
+	-delta_H	-267.755	kJ/mol
+#	deltafH		-1444.83	kJ/mol
+	-analytic	-1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
+#	Range		0-300
+	-Vm		44.01 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Chrysotile
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		31.1254
+	-delta_H	-218.041	kJ/mol
+#	deltafH		-1043.12	kcal/mol
+	-analytic	-9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
+#	Range		0-350
+	-Vm		108.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinochlore-14A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		67.2391
+	-delta_H	-612.379	kJ/mol
+#	deltafH		-2116.96	kcal/mol
+	-analytic	-2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
+#	Range		0-350
+	-Vm		207.11
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C
+
+Clinochlore-7A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		70.6124
+	-delta_H	-628.14		kJ/mol
+#	deltafH		-2113.2		kcal/mol
+	-analytic	-2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
+#	Range		0-350
+	-Vm		211.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinoptilolite-K
+	K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
+	log_k		-10.9485
+	-delta_H	67.4862		kJ/mol
+#	deltafH		-4937.77	kcal/mol
+	-analytic	1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
+#	Range		0-300
+	-Vm		655.93 # Webmineral.com, density 2.15
+#	Extrapol	Cp integration
+#	Ref		89db 7
+
+Clinozoisite
+	Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.2569
+	-delta_H	-457.755	kJ/mol
+#	deltafH		-1643.78	kcal/mol
+	-analytic	-2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
+#	Range		0-300
+	-Vm		136.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78, SH88
+
+Co
+	Co + 2 H+ + 0.5 O2 = Co+2 + H2O
+	log_k		52.5307
+	-delta_H	-337.929	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
+#	Range		0-300
+	-Vm		6.67 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Co2SiO4
+	Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
+	log_k		6.6808
+	-delta_H	-88.6924	kJ/mol
+#	deltafH		-353.011	kcal/mol
+	-analytic	-3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
+#	Range		0-300
+	-Vm		44.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2
+	CoCl2 = Co+2 + 2 Cl-
+	log_k		8.2641
+	-delta_H	-79.5949	kJ/mol
+#	deltafH		-312.722	kJ/mol
+	-analytic	-2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
+#	Range		0-300
+	-Vm		38.69 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2:2H2O
+	CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
+        log_k		4.6661
+	-delta_H	-40.7876	kJ/mol
+#	deltafH		-923.206	kJ/mol
+        -analytic	-5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
+#  	Range		0-200
+	-Vm		66.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoCl2:6H2O
+	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+	log_k		2.6033
+	-delta_H	8.32709		kJ/mol
+#	deltafH		-2115.67	kJ/mol
+	-analytic	-1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
+#	Range		0-200
+	-Vm		123.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoFe2O4
+	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
+	log_k		0.8729
+	-delta_H	-160.674	kJ/mol
+#	deltafH		-272.466	kcal/mol
+	-analytic	-3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
+#	Range		0-300
+	-Vm		44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoO
+	CoO + 2 H+ = Co+2 + H2O
+	log_k		13.5553
+	-delta_H	-106.05		kJ/mol
+#	deltafH		-237.946	kJ/mol
+	-analytic	-8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
+#	Range		0-300
+	-Vm		11.64 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoS
+	CoS + H+ = Co+2 + HS-
+	log_k		-7.3740
+	-delta_H	10.1755		kJ/mol
+#	deltafH		-20.182		kcal/mol
+	-analytic	-1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
+#	Range		0-300
+	-Vm		22.91 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoSO4
+	CoSO4 = Co+2 + SO4-2
+	log_k		2.8996
+	-delta_H	-79.7952	kJ/mol
+#	deltafH		-887.964	kJ/mol
+	-analytic	-1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
+#	Range		0-300
+	-Vm		41.78 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:6H2O
+	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+	log_k		-2.3512
+	-delta_H	1.08483		kJ/mol
+#	deltafH		-2683.87	kJ/mol
+	-analytic	-2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
+#	Range		0-300
+	-Vm		130.30 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:H2O
+	CoSO4:H2O = Co+2 + H2O + SO4-2
+	log_k		-1.2111
+	-delta_H	-52.6556	kJ/mol
+#	deltafH		-287.032	kcal/mol
+	-analytic	-1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
+#	Range		0-200
+	-Vm		56.26 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Coesite
+	SiO2 = SiO2
+	log_k		-3.1893
+	-delta_H	28.6144		kJ/mol
+#	deltafH		-216.614	kcal/mol
+	-analytic	-9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
+#	Range		0-350
+	-Vm		20.641
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Coffinite
+	USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
+	log_k		-8.0530
+	-delta_H	-49.2493	kJ/mol
+#	deltafH		-1991.33	kJ/mol
+	-analytic	2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
+#	Range		0-200
+	-Vm		46.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		92gre/fug
+
+Cordierite_anhyd
+	Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
+	log_k		52.3035
+	-delta_H	-626.219	kJ/mol
+#	deltafH		-2183.2		kcal/mol
+	-analytic	2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
+#	Range		0-350
+	-Vm		233.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C
+
+Cordierite_hydr
+	Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
+	log_k		49.8235
+	-delta_H	-608.814	kJ/mol
+#	deltafH		-2255.68	kcal/mol
+	-analytic	-1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
+#	Range		0-350
+	-Vm		241.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C
+
+Corundum
+	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+	log_k		18.3121
+	-delta_H	-258.626	kJ/mol
+#	deltafH		-400.5		kcal/mol
+	-analytic	-1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
+#	Range		0-350
+	-Vm		25.575
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag
+
+Covellite
+	CuS + H+ = Cu+2 + HS-
+	log_k		-22.8310
+	-delta_H	101.88		kJ/mol
+#	deltafH		-12.5		kcal/mol
+	-analytic	-1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
+#	Range		0-350
+	-Vm		20.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cr
+	Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
+	log_k		98.6784
+	-delta_H	-658.145	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
+#	Range		0-300
+	-Vm		7.231 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+CrCl3
+	CrCl3 = Cr+3 + 3 Cl-
+	log_k		17.9728
+	-delta_H	-183.227	kJ/mol
+#	deltafH		-556.5		kJ/mol
+	-analytic	-2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
+#	Range		0-300
+	-Vm		57.38 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CrO2
+	CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
+	log_k		-19.1332
+	-delta_H	85.9812		kJ/mol
+#	deltafH		-143		kcal/mol
+	-analytic	2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
+#	Range		0-200
+	-Vm		16.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+CrO3
+	CrO3 + H2O = CrO4-2 + 2 H+
+	log_k		-3.5221
+	-delta_H	-5.78647	kJ/mol
+#	deltafH		-140.9		kcal/mol
+	-analytic	-1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
+#	Range		0-300
+	-Vm		35.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+CrS
+	CrS + H+ = Cr+2 + HS-
+	log_k		-0.6304
+	-delta_H	-26.15		kJ/mol
+#	deltafH		-31.9		kcal/mol
+	-analytic	-1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
+#	Range		0-300
+	-Vm		17.33 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+Cristobalite(alpha)
+	SiO2 = SiO2
+	log_k		-3.4488
+	-delta_H	29.2043		kJ/mol
+#	deltafH		-216.755	kcal/mol
+	-analytic	-1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
+#	Range		0-350
+	-Vm		25.74
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cristobalite(beta)
+	SiO2 = SiO2
+	log_k		-3.0053
+	-delta_H	24.6856		kJ/mol
+#	deltafH		-215.675	kcal/mol
+	-analytic	-4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
+#	Range		0-350
+	-Vm		27.38
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cronstedtite-7A
+	Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
+	log_k		16.2603
+	-delta_H	-244.266	kJ/mol
+#	deltafH		-697.413	kcal/mol
+	-analytic	-2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
+#	Range		0-300
+	-Vm		110.9 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Cu
+	Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
+	log_k		31.5118
+	-delta_H	-214.083	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
+#	Range		0-300
+	-Vm		7.113
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+
+CuCl2
+	CuCl2 = Cu+2 + 2 Cl-
+	log_k		3.7308
+	-delta_H	-48.5965	kJ/mol
+#	deltafH		-219.874	kJ/mol
+	-analytic	-1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
+#	Range		0-200
+	-Vm		39.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CuCr2O4
+	CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
+	log_k		16.2174
+	-delta_H	-268.768	kJ/mol
+#	deltafH		-307.331	kcal/mol
+	-analytic	-1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
+#	Range		0-200
+	-Vm		42.74 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Cuprite
+	Cu2O + 2 H+ = H2O + 2 Cu+
+	log_k		-1.9031
+	-delta_H	28.355		kJ/mol
+#	deltafH		-40.83		kcal/mol
+	-analytic	-8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
+#	Range		0-350
+	-Vm		23.437
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-14A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k		52.2821
+	-delta_H	-517.561	kJ/mol
+#	deltafH		-1693.04	kcal/mol
+	-analytic	-1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
+#	Range		0-350
+	-Vm		213.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-7A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k	55.6554
+	-delta_H	-532.326	kJ/mol
+#	deltafH		-1689.51	kcal/mol
+	-analytic	-1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
+#	Range		0-300
+	-Vm		221.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dawsonite
+	NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
+	log_k		4.3464
+	-delta_H	-76.3549	kJ/mol
+#	deltafH		-1963.96	kJ/mol
+	-analytic	-1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
+#	Range		0-200
+	-Vm		59.50 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Delafossite
+	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+	log_k		-6.4172
+	-delta_H	-18.6104	kJ/mol
+#	deltafH		-126.904	kcal/mol
+	-analytic	-1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
+#	Range		0-300
+	-Vm		27.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Diaspore
+	AlHO2 + 3 H+ = Al+3 + 2 H2O
+	log_k		7.1603
+	-delta_H	-110.42		kJ/mol
+#	deltafH		-238.924	kcal/mol
+	-analytic	-1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
+#	Range		0-225
+	-Vm		17.76
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Dicalcium_silicate
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		37.1725
+	-delta_H	-217.642	kJ/mol
+#	deltafH		-2317.9		kJ/mol
+	-analytic	-5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
+#	Range		0-300
+	-Vm		59.11 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Diopside
+	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
+	log_k		20.9643
+	-delta_H	-133.775	kJ/mol
+#	deltafH		-765.378	kcal/mol
+	-analytic	7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
+#	Range		0-350
+	-Vm		66.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dioptase
+	CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
+	log_k		6.0773
+	-delta_H	-25.2205	kJ/mol
+#	deltafH		-1358.47	kJ/mol
+	-analytic	2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
+#	Range		0-200
+	-Vm		48.24 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Dolomite-dis
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		4.0579
+	-delta_H	-72.2117	kJ/mol
+#	deltafH		-553.704	kcal/mol
+	-analytic	-3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
+#	Range		0-350
+	-Vm		64.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dolomite-ord
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		2.5135
+	-delta_H	-59.9651	kJ/mol
+#	deltafH		-556.631	kcal/mol
+	-analytic	-3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
+#	Range		0-350
+	-Vm		64.34
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Enstatite
+	MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
+	log_k		11.3269
+	-delta_H	-82.7302	kJ/mol
+#	deltafH		-369.686	kcal/mol
+	-analytic	-4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
+#	Range		0-350
+	-Vm		31.276
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote
+	Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.451	kJ/mol
+#	deltafH		-1543.99	kcal/mol
+	-analytic	-2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote-ord
+	FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.351	kJ/mol
+#	deltafH		-1544.02	kcal/mol
+	-analytic	1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Eskolaite
+	Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
+	log_k		-9.1306
+	-delta_H	-32.6877	kJ/mol
+#	deltafH		-1139.74	kJ/mol
+	-analytic	-2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
+#	Range		0-300
+	-Vm		29.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ettringite
+	Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
+	log_k		62.5362
+	-delta_H	-382.451	kJ/mol
+#	deltafH		-4193		kcal/mol
+	-analytic	-1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
+#	Range		0-200
+	-Vm		697.28 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Eu
+	Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
+	log_k		165.1443
+	-delta_H	-1025.08	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
+#	Range		0-300
+	-Vm		28.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		85rar 2
+
+Eu(OH)3
+	Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
+	log_k		15.3482
+	-delta_H	-126.897	kJ/mol
+#	deltafH		-1336.04	kJ/mol
+	-analytic	-6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
+#	Range		0-200
+	-Vm		38.44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+Eu2(SO4)3:8H2O
+	Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
+	log_k		-10.8524
+	-delta_H	-86.59		kJ/mol
+#	deltafH		-6139.77	kJ/mol
+	-analytic	-5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
+#	Range		0-200
+	-Vm		245.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(cubic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+	log_k		51.7818
+	-delta_H	-406.403	kJ/mol
+#	deltafH		-1661.96	kJ/mol
+	-analytic	-5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
+#	Range		0-200
+	-Vm		48.29 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(monoclinic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+        log_k		53.3936
+	-delta_H	-417.481	kJ/mol
+#	deltafH		-1650.88	kJ/mol
+	-analytic	-5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
+#	Range		0-200
+	-Vm		44.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu3O4
+	Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
+        log_k		87.0369
+	-delta_H	-611.249	kJ/mol
+#	deltafH		-2270.56	kJ/mol
+	-analytic	-1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
+#	Range		0-200
+	-Vm		64.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl2
+	EuCl2 = Eu+2 + 2 Cl-
+	log_k		5.9230
+	-delta_H	-39.2617	kJ/mol
+#	deltafH		-822.5		kJ/mol
+	-analytic	-2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
+#	Range		0-200
+	-Vm		45.49 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuCl3
+	EuCl3 = Eu+3 + 3 Cl-
+	log_k		19.7149
+	-delta_H	-170.861	kJ/mol
+#	deltafH		-935.803	kJ/mol
+	-analytic	3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
+#	Range		0-200
+	-Vm		52.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl3:6H2O
+	EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
+	log_k		4.9090
+	-delta_H	-40.0288	kJ/mol
+#	deltafH		-2781.66	kJ/mol
+	-analytic	-1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
+#	Range		0-200
+	-Vm		151.22 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuOCl
+	EuOCl + 2 H+ = Cl- + Eu+3 + H2O
+        log_k		15.6683
+	-delta_H	-147.173	kJ/mol
+#	deltafH		-911.17		kJ/mol
+	-analytic	-7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
+#	Range		0-200
+	-Vm		31.68 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuS
+	EuS + H+ = Eu+2 + HS-
+	log_k		14.9068
+	-delta_H	-96.4088	kJ/mol
+#	deltafH		-447.302	kJ/mol
+        -analytic	-4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
+#	Range		0-200
+	-Vm		32.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuSO4
+	EuSO4 = Eu+2 + SO4-2
+        log_k		-8.8449
+	-delta_H	33.873		kJ/mol
+#	deltafH		-1471.08	kJ/mol
+	-analytic	3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
+#	Range		0-200
+	-Vm		49.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eucryptite
+	LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
+	log_k		13.6106
+	-delta_H	-141.818	kJ/mol
+#	deltafH		-2124.41	kJ/mol
+	-analytic	-2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
+#	Range		0-300
+	-Vm		53.63 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fayalite
+	Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
+	log_k		19.1113
+	-delta_H	-152.256	kJ/mol
+#	deltafH		-354.119	kcal/mol
+	-analytic	1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
+#	Range		0-350
+	-Vm		46.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Fe
+	Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
+	log_k		59.0325
+	-delta_H	-372.029	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
+#	Range		0-350
+	-Vm		7.092 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		RHF79
+
+Fe(OH)2
+	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
+	log_k		13.9045
+	-delta_H	-95.4089	kJ/mol
+#	deltafH		-568.525	kJ/mol
+	-analytic	-8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
+#	Range		0-300
+	-Vm		26.43 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe(OH)3
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	log_k		5.6556
+	-delta_H	-84.0824	kJ/mol
+#	deltafH		-823.013	kJ/mol
+        -analytic	-1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
+#	Range		0-300
+	-Vm		34.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe2(SO4)3
+	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+	log_k		3.2058
+	-delta_H	-250.806	kJ/mol
+#	deltafH		-2577.16	kJ/mol
+	-analytic	-5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
+#	Range		0-300
+	-Vm		130.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79	
+
+FeO
+	FeO + 2 H+ = Fe+2 + H2O
+	log_k		13.5318
+	-delta_H	-106.052	kJ/mol
+#	deltafH		-65.02		kcal/mol
+	-analytic	-7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
+#	Range		0-350
+	-Vm		12
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+FeSO4
+	FeSO4 = Fe+2 + SO4-2
+	log_k		2.6565
+	-delta_H	-73.0878	kJ/mol
+#	deltafH		-928.771	kJ/mol
+	-analytic	-2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
+#	Range		0-300
+	-Vm		41.58 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Ca
+	CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
+	log_k		21.5217
+	-delta_H	-264.738	kJ/mol
+#	deltafH		-363.494	kcal/mol
+        -analytic	-2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
+#	Range		0-300
+	-Vm		44.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Ferrite-Cu
+	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+	log_k		10.3160
+	-delta_H	-211.647	kJ/mol
+#	deltafH		-965.178	kJ/mol
+	-analytic	-3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
+#	Range		0-300
+	-Vm		44.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Dicalcium
+	Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
+	log_k		56.8331
+	-delta_H	-475.261	kJ/mol
+#	deltafH		-2139.26	kJ/mol
+	-analytic	-3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
+#	Range		0-300
+	-Vm		67.18 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Mg
+	MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+	log_k		21.0551
+	-delta_H	-280.056	kJ/mol
+#	deltafH		-1428.42	kJ/mol
+	-analytic	-2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
+#	Range		0-300
+	-Vm		44.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Zn
+	ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
+	log_k		11.7342
+	-delta_H	-226.609	kJ/mol
+#	deltafH		-1169.29	kJ/mol
+	-analytic	-2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
+#	Range		0-300
+	-Vm		45.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrosilite
+	FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
+	log_k		7.4471
+	-delta_H	-60.6011	kJ/mol
+#	deltafH		-285.658	kcal/mol
+	-analytic	9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
+#	Range		0-350
+	-Vm		32.952
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Forsterite
+	Mg2SiO4 + 4 H+ =  SiO2 + 2 H2O + 2 Mg+2
+	log_k		27.8626
+	-delta_H	-205.614	kJ/mol
+#	deltafH		-520		kcal/mol
+	-analytic	-7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
+#	Range		0-350
+	-Vm		43.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Foshagite
+	Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
+	log_k		65.9210
+	-delta_H	-359.839	kJ/mol
+#	deltafH		-1438.27	kcal/mol
+	-analytic	2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
+#	Range		0-300
+	-Vm		154.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+
+Gd
+	Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
+	log_k		180.7573
+	-delta_H	-1106.67	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
+#	Range		0-300
+	-Vm		19.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gehlenite
+	Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
+	log_k		56.2997
+	-delta_H	-489.934	kJ/mol
+#	deltafH		-951.225	kcal/mol
+	-analytic	-2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
+#	Range		0-350
+	-Vm		90.24
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gibbsite
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	log_k		7.7560
+	-delta_H	-102.788	kJ/mol
+#	deltafH		-309.065	kcal/mol
+	-analytic	-1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
+#	Range		0-150
+	-Vm		31.956
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Goethite
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	log_k		0.5345
+	-delta_H	-61.9291	kJ/mol
+#	deltafH		-559.328	kJ/mol
+	-analytic	-6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
+#	Range		0-200
+	-Vm		20.82
+#	Extrapol	supcrt92, Constant H approx
+#	Ref		Sho09, MLS+03, RHF79 match
+
+Greenalite
+	Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
+	log_k		22.6701
+	-delta_H	-165.297	kJ/mol
+#	deltafH		-787.778	kcal/mol
+	-analytic	-1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
+#	Range		0-350
+	-Vm		115
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 78wol, Wilson+06 match
+
+Grossular
+	Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		51.9228
+	-delta_H	-432.006	kJ/mol
+#	deltafH		-1582.74	kcal/mol
+	-analytic	2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
+#	Range		0-350
+	-Vm		125.3
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	log_k		-4.4823
+	-delta_H	-1.66746	kJ/mol
+#	deltafH		-2022.69	kJ/mol
+	-analytic	-2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
+#	Range		0-300
+	-Vm		74.69 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gyrolite
+	Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
+	log_k		22.9099
+	-delta_H	-82.862		kJ/mol
+#	deltafH		-1176.55	kcal/mol
+	-analytic	-2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
+#	-Range		0-300
+	-Vm		136.85 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Halite
+	NaCl = Cl- + Na+
+	log_k		1.5855
+	-delta_H	3.7405		kJ/mol
+#	deltafH		-98.26		kcal/mol
+	-analytic	-1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
+#	Range		0-350
+	-Vm		27.015
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hatrurite
+	Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
+	log_k		73.4056
+	-delta_H	-434.684	kJ/mol
+#	deltafH		-700.234	kcal/mol
+	-analytic	-4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
+#	Range		0-300
+	-Vm		75.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Hausmannite
+	Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
+	log_k		10.1598
+	-delta_H	-268.121	kJ/mol
+#	deltafH		-1387.83	kJ/mol
+	-analytic	-2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
+#	Range		0-300
+	-Vm		48.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Heazlewoodite
+	Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
+	log_k		28.2477
+	-delta_H	-270.897	kJ/mol
+#	deltafH		-203.012	kJ/mol
+	-analytic	-3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
+#	Range		0-300
+	-Vm		40.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Hedenbergite
+	CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
+	log_k		19.6060
+	-delta_H	-124.507	kJ/mol
+#	deltafH		-678.276	kcal/mol
+	-analytic	-1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
+#	Range		0-350
+	-Vm		68.27
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hematite
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	log_k		0.1086
+	-delta_H	-129.415	kJ/mol
+#	deltafH		-197.72		kcal/mol
+	-analytic	-2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
+#	Range		0-350
+	-Vm		30.274
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hercynite
+	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+	log_k		28.8484
+	-delta_H	-345.961	kJ/mol
+#	deltafH		-1966.45	kJ/mol
+	-analytic	-3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
+#	Range		0-300
+	-Vm		40.75 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hillebrandite
+	Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
+	log_k		36.8190
+	-delta_H	-203.074	kJ/mol
+#	deltafH		-637.404	kcal/mol
+	-analytic	-1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
+#	Range		0-300
+	-Vm		71.79 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Huntite
+	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
+	log_k		10.3010
+	-delta_H	-171.096	kJ/mol
+#	deltafH		-1082.6		kcal/mol
+	-analytic	-6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
+#	Range		0-350
+	-Vm		122.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydromagnesite
+	Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
+	log_k		30.8539
+	-delta_H	-289.696	kJ/mol
+#	deltafH		-1557.09	kcal/mol
+	-analytic	-7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
+#	Range		0-350
+	-Vm		208.8
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydrophilite
+	CaCl2 = Ca+2 + 2 Cl-
+	log_k		11.7916
+	-delta_H	-81.4545	kJ/mol
+#	deltafH		-795.788	kJ/mol
+	-analytic	-2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
+#	Range		0-300
+	-Vm		49.99 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hydroxyapatite
+	Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+	log_k		-3.0746
+	-delta_H	-191.982	kJ/mol
+#	deltafH		-6685.52	kJ/mol
+	-analytic	-8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
+#	Range		0-300
+	-Vm		128.9
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ice
+	H2O = H2O
+	log_k		0.1387
+	-delta_H	6.74879		kJ/mol
+#	deltafH		-69.93		kcal/mol
+	-analytic	-2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
+#	Range		0-200
+	-Vm		19.635 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87kee/rup
+
+Ilmenite
+	FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
+	log_k		0.9046
+#	deltafH		-1236.65	kJ/mol
+	-Vm		32.15 # Webmineral.com
+#	Ref		RHF79
+
+Jadeite
+	NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
+	log_k		8.3888
+	-delta_H	-84.4415	kJ/mol
+#	deltafH		-722.116	kcal/mol
+	-analytic	1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
+#	Range		0-350
+	-Vm		60.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Jarosite
+	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
+	log_k		-9.3706
+	-delta_H	-191.343	kJ/mol
+#	deltafH		-894.79		kcal/mol
+	-analytic	-1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
+#	Range		0-200
+	-Vm		162.07 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		75kas/bor
+
+K
+	K + H+ + 0.25 O2 = 0.5 H2O + K+
+	log_k		70.9861
+	-delta_H	-392.055	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
+#	Range		0-300
+	-Vm		45.94 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+
+K-Feldspar
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
+#	Range		0-350
+	-Vm		108.87
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+K2O
+	K2O + 2 H+ = H2O + 2 K+
+	log_k		84.0405
+	-delta_H	-427.006	kJ/mol
+#	deltafH		-86.8		kcal/mol
+	-analytic	-1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
+#	Range		0-350
+	-Vm		40.085 # gfw/density
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+KAl(SO4)2
+	KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
+	log_k		3.3647
+	-delta_H	-139.485	kJ/mol
+#	deltafH		-2470.29	kJ/mol
+	-analytic	-4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
+#	Range		0-300
+	-Vm		146.71 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Kalsilite
+	KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
+	log_k		10.8987
+	-delta_H	-108.583	kJ/mol
+#	deltafH		-509.408	kcal/mol
+	-analytic	-6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
+#	Range		0-350
+	-Vm		59.89
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Kaolinite
+	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
+	log_k		6.8101
+	-delta_H	-151.779	kJ/mol
+#	deltafH		-982.221	kcal/mol
+	-analytic	1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
+#	Range		0-350
+	-Vm		99.52
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C
+
+KerogenC128
+	C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
+	log_k		10740.654
+	-delta_H	-14623.902	kcal/mol
+	-analytic	23405.37 -54.726 0 0 0 0.041
+#	Range		0-350
+	-Vm		1320.7
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC292
+	C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
+	log_k		27153.69
+	-delta_H	-36994.127	kcal/mol
+	-analytic	59184.26 -138.37 0 0 0 0.10
+#	Range		0-350
+	-Vm		3398.2
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC515
+	C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
+	log_k		48112.16
+	-delta_H 	-65346.703	kcal/mol
+	-analytic	104660.55 -244.27 0 0 0 0.183
+#	Range		0-350
+	-Vm		6989.3
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+Kyanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.6740
+	-delta_H	-230.919	kJ/mol
+#	deltafH		-616.897	kcal/mol
+	-analytic	-7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
+#	Range		0-175
+	-Vm		44.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Larnite
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		38.4665
+	-delta_H	-227.061	kJ/mol
+#	deltafH		-551.74		kcal/mol
+	-analytic	2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
+#	Range		0-300
+	-Vm		51.6 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Lawrencite
+	FeCl2 = Fe+2 + 2 Cl-
+	log_k		9.0945
+	-delta_H	-84.7665	kJ/mol
+#	deltafH		-341.65		kJ/mol
+	-analytic	-2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
+#	Range		0-300
+	-Vm		40.31 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Lawsonite
+	CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
+	log_k		22.2132
+	-delta_H	-244.806	kJ/mol
+#	deltafH		-1158.1		kcal/mol
+	-analytic	1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
+#	Range		0-350
+	-Vm		101.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Li
+	Li + H+ +0.25 O2 = 0.5 H2O + Li+
+	log_k		72.7622
+	-delta_H	-418.339	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
+#	Range		0-300
+	-Vm		13.017 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Lime
+	CaO + 2 H+ = Ca+2 + H2O
+	log_k		32.5761
+	-delta_H	-193.832	kJ/mol
+#	deltafH		-151.79		kcal/mol
+	-analytic	-7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
+#	Range		0-350
+	-Vm		16.764
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Linnaeite
+	Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
+	log_k		-106.9017
+	-delta_H	420.534		kJ/mol
+#	deltafH		-85.81		kcal/mol
+	-analytic	-6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
+#	Range		0-300
+	-Vm		63.55 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Lizardite
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		30.560
+	-analytic	7.886e1 -2.108e-1 0 0 0 1.637e-4
+#	Range		0-300
+	-Vm		107.31
+#	Extrapol	supcrt92
+#	Ref		Wilson+06
+
+Lopezite
+	K2Cr2O7 + H2O =  2 CrO4-2 + 2 H+ + 2 K+
+	log_k		-17.4366
+	-delta_H	81.9227		kJ/mol
+#	deltafH		-493.003	kcal/mol
+	-analytic	7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
+#	Range		0-200
+	-Vm		109.93 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		76del/hal
+
+Magnesiochromite
+	MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
+	log_k		21.6927
+	-delta_H	-302.689	kJ/mol
+#	deltafH		-1783.6		kJ/mol
+	-analytic	-1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
+#	Range		0-200
+	-Vm		43.564 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		WEP+82
+
+Magnesite
+	MgCO3 + H+ = HCO3- + Mg+2
+	log_k		2.2936
+	-delta_H	-44.4968	kJ/mol
+#	deltafH		-265.63		kcal/mol
+	-analytic	-1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
+#	Range		0-350
+	-Vm		28.018
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Magnetite
+	Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
+	log_k		10.4724
+	-delta_H	-216.597	kJ/mol
+#	deltafH		-267.25		kcal/mol
+	-analytic	-3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
+#	Range		0-350
+	-Vm		44.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Malachite
+	Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
+	log_k		5.9399
+	-delta_H	-76.2827	kJ/mol
+#	deltafH		-251.9		kcal/mol
+	-analytic	-2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
+#	Range		0-350
+	-Vm		54.86
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Manganosite
+	MnO + 2 H+ = H2O + Mn+2
+	log_k		17.9240
+	-delta_H	-121.215	kJ/mol
+#	deltafH		-92.07		kcal/mol
+	-analytic	-8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
+#	Range		0-350
+	-Vm		13.221
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Margarite
+	CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
+	log_k		41.0658
+	-delta_H	-522.192	kJ/mol
+#	deltafH		-1485.8		kcal/mol
+	-analytic	-2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
+#	Range		0-350
+	-Vm		129.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C
+
+Maximum_Microcline
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
+#	Range		0-350
+	-Vm		108.741
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mayenite
+	Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
+	log_k		494.2199
+	-delta_H	-4056.77	kJ/mol
+#	deltafH		-4644		kcal/mol
+	-analytic	-1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
+#	Range		0-200
+	-Vm		517.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Melanterite
+	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+	log_k		-2.3490
+	-delta_H	11.7509		kJ/mol
+#	deltafH		-3014.48	kJ/mol
+	-analytic	-2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
+#	Range		0-300
+	-Vm		146.48 # Marion+08
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Merwinite
+	MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
+	log_k		68.5140
+	-delta_H	-430.069	kJ/mol
+#	deltafH		-1090.8		kcal/mol
+	-analytic	-2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
+#	Range		0-350
+	-Vm		104.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mg
+	Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
+	log_k		122.5365
+	-delta_H	-745.731	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
+#	Range		0-300
+	-Vm		13.996 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+MgOHCl
+	MgOHCl + H+ = Cl- + H2O + Mg+2
+	log_k		15.9138
+	-delta_H	-118.897	kJ/mol
+#	deltafH		-191.2		kcal/mol
+	-analytic	-1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
+#	Range		0-300
+	-Vm		33.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+MgSO4
+	MgSO4 = Mg+2 + SO4-2
+	log_k		4.8781
+	-delta_H	-90.6421	kJ/mol
+#	deltafH		-1284.92	kJ/mol
+	-analytic	-2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
+#	Range		0-300
+	-Vm		45.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Millerite
+	NiS + H+ = HS- + Ni+2
+	log_k		-8.0345
+	-delta_H	12.089		kJ/mol
+#	deltafH		-82.171		kJ/mol
+	-analytic	-1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
+#	Range		0-300
+	-Vm		16.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Minnesotaite
+	Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
+	log_k		13.9805
+	-delta_H	-105.211	kJ/mol
+#	deltafH		-1153.37	kcal/mol
+	-analytic	-1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
+#	Range		0-300
+	-Vm		147.86 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C
+
+Mirabilite
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	log_k		-1.1398
+	-delta_H	79.4128		kJ/mol
+#	deltafH		-4328		kJ/mol
+	-analytic	-2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
+#	Range		0-200
+	-Vm		219.80 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Mn
+	Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
+	log_k		82.9505
+	-delta_H	-500.369	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
+#	Range		0-300
+	-Vm		7.354 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mn(OH)2(am)
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	log_k		15.3102
+	-delta_H	-97.1779	kJ/mol
+#	deltafH		-695.096	kJ/mol
+	-analytic	-7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
+#	Range		0-200
+	-Vm		22.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:2H2O
+	MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
+	log_k		4.0067
+	-delta_H	-34.4222	kJ/mol
+#	deltafH		-1092.01	kJ/mol
+	-analytic	-6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
+#	Range		0-200
+	-Vm		71.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:4H2O
+	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+	log_k		2.7563
+	-delta_H	-10.7019	kJ/mol
+#	deltafH		-1687.41	kJ/mol
+	-analytic	-1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
+#	Range		0-200
+	-Vm		98.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:H2O
+	MnCl2:H2O = H2O + Mn+2 + 2 Cl-
+	log_k		5.5517
+	-delta_H	-50.8019	kJ/mol
+#	deltafH		-789.793	kJ/mol
+	-analytic	-4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
+#	Range		0-200
+	-Vm		42.27 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnSO4
+	MnSO4 = Mn+2 + SO4-2
+	log_k		2.6561
+	-delta_H	-64.8718	kJ/mol
+#	deltafH		-1065.33	kJ/mol
+	-analytic	-2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
+#	Range		0-300
+	-Vm		46.46 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mo
+	Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
+	log_k		109.3230
+	-delta_H	-693.845	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
+#	Range		0-300
+	-Vm		9.387 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Molysite
+	FeCl3 = Fe+3 + 3 Cl-
+	log_k		13.5517
+	-delta_H	-151.579	kJ/mol
+#	deltafH		-399.24		kJ/mol
+	-analytic	-3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
+#	Range		0-300
+	-Vm		55.86 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Monohydrocalcite
+	CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
+	log_k		2.6824
+	-delta_H	-20.5648	kJ/mol
+#	deltafH		-1498.29	kJ/mol
+	-analytic	-7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
+#	Range		0-200
+	-Vm		49.62 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Monticellite
+	CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
+	log_k		29.5852
+	-delta_H	-195.711	kJ/mol
+#	deltafH		-540.8		kcal/mol
+	-analytic	1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
+#	Range		0-300
+	-Vm		51.47
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Montmor-Ca
+	Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4952
+	-delta_H	-100.154	kJ/mol
+#	deltafH		-1361.5		kcal/mol
+	-analytic	2.459e1	-9.080e-2 0 0 0 5.223e-5
+#	Range		0-300
+	-Vm		136.007
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-K
+	K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.1423
+	-delta_H	-88.184		kJ/mol
+#	deltafH		-1362.83	kcal/mol
+	-analytic	2.022e1	-7.624e-2 0 0 0	4.102e-5
+#	Range		0-300
+	-Vm		140.140
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Mg
+	Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.3879
+	-delta_H	-102.608	kJ/mol
+#	deltafH		-1357.87	kcal/mol
+	-analytic	2.381e1 -9.031e-2 0 0 0 5.203e-5
+#	Range		0-300
+	-Vm		135.042
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Na
+	Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4844
+	-delta_H	-93.2165	kJ/mol
+#	deltafH		-1360.69	kcal/mol
+	-analytic	2.348e1	-8.604e-2 0 0 0 4.951e-5
+#	Range		0-300
+	-Vm		137.449
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C
+
+Morenosite
+	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+	log_k		-2.0140
+	-delta_H	12.0185		kJ/mol
+#	deltafH		-2976.46	kJ/mol
+	-analytic	-2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
+#	Range		0-300
+	-Vm		144.17 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Muscovite
+	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		13.5858
+	-delta_H	-243.224	kJ/mol
+#	deltafH		-1427.41	kcal/mol
+	-analytic	3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
+#	Range		0-350
+	-Vm		140.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na
+	Na + H+ + 0.25 O2 = 0.5 H2O + Na+
+	log_k		67.3804
+	-delta_H	-380.185	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
+#	Range		0-300
+	-Vm		23.812 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Na2CO3
+	Na2CO3 + H+ = HCO3- + 2 Na+
+	log_k		11.1822
+	-delta_H	-39.8526	kJ/mol
+#	deltafH		-1130.68	kJ/mol
+	-analytic	-1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
+#	Range		0-300
+	-Vm		41.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Na2CO3:7H2O
+	Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
+	log_k		9.9459
+	-delta_H	27.7881		kJ/mol
+#	deltafH		-3199.19	kJ/mol
+	-analytic	-2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
+#	Range		0-200
+	-Vm		153.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Na2Cr2O7
+	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
+	log_k		-10.1597
+	-delta_H	21.9702		kJ/mol
+#	deltafH		-473		kcal/mol
+	-analytic	4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
+#	Range		0-200
+	-Vm		103.96 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2CrO4
+	Na2CrO4 = CrO4-2 + 2 Na+
+	log_k		2.9103
+	-delta_H	-19.5225	kJ/mol
+#	deltafH		-320.8		kcal/mol
+	-analytic	5.4985 -9.9008e-3 1.0510e2
+#	Range		0-200
+	-Vm		59.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2O
+	Na2O + 2 H+ = H2O + 2 Na+
+	log_k		67.4269
+	-delta_H	-351.636	kJ/mol
+#	deltafH		-99.14		kcal/mol
+	-analytic	-6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
+#	Range		0-350
+	-Vm		25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na2SiO3
+	Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
+	log_k		22.2418
+	-delta_H	-82.7093	kJ/mol
+#	deltafH		-373.19		kcal/mol
+	-analytic	-3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
+#	Range		0-300
+	-Vm		50.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Na2U2O7
+	Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
+	log_k		22.5917
+	-delta_H	-172.314	kJ/mol
+#	deltafH		-3203.8		kJ/mol
+	-analytic	-8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
+#	Range		0-300
+	-Vm		95.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+NaFeO2
+	NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
+	log_k		19.8899
+	-delta_H	-163.339	kJ/mol
+#	deltafH		-698.218	kJ/mol
+	-analytic	-7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
+#	Range		0-200
+	-Vm		33.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NaUO3
+	NaUO3 + 2 H+ = H2O + Na+ + UO2+
+	log_k		8.3371
+	-delta_H	-56.365		kJ/mol
+#	deltafH		-1494.9		kJ/mol
+	-analytic	-3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
+#	Range		0-300
+	-Vm		42.56 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Nahcolite
+	NaHCO3 = HCO3- + Na+
+	log_k		-0.1118
+	-delta_H	17.0247		kJ/mol
+#	deltafH		-226.4		kcal/mol
+	-analytic	-2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
+#	Range		0-300
+	-Vm		38.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Nantokite
+	CuCl = Cl- + Cu+
+	log_k	-6.7623
+	-delta_H	41.9296		kJ/mol
+#	deltafH		-137.329	kJ/mol
+	-analytic	-2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
+#	Range		0-200
+	-Vm		23.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Natron
+	Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
+	log_k		9.6102
+	-delta_H	50.4781		kJ/mol
+#	deltafH		-4079.39	kJ/mol
+	-analytic	-1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
+#	Range		0-300
+	-Vm		195.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Natrosilite
+	Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
+	log_k		18.1337
+	-delta_H	-51.7686	kJ/mol
+#	deltafH		-590.36		kcal/mol
+	-analytic	-2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
+#	Range		0-300
+	-Vm		72.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Nepheline
+	NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
+	log_k		13.8006
+	-delta_H	-135.068	kJ/mol
+#	deltafH		-500.241	kcal/mol
+	-analytic	-2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
+#	Range		0-350
+	-Vm		54.16
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Nesquehonite
+	MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
+	log_k		4.9955
+	-delta_H	-36.1498	kJ/mol
+#	deltafH		-472.576	kcal/mol
+	-analytic	1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
+#	Range		0-50
+	-Vm		74.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+NH4Cl 
+	NH4Cl = NH4+ + Cl-
+	log_k		1.3252
+	-analytic	-3.078 1.550e-2 0 0 0 -3.451e-6  
+#	Range		0-30
+	-Vm		34.96
+#	Extrapol	Marion+12
+#	Ref		Marion+12, WangLi11 match 
+
+NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
+	NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
+	log_k		-2.7243
+	-analytic	-7.434e1 3.080e-1 0 0 0 -2.270e-4
+#	Range		25-325
+	-Vm		114.78 # Webmineral.com (Hovis04: 109.08-112.23)
+#	Extrapol	N17
+#	Ref		Wat81
+
+NH4HCO3
+	NH4HCO3 = NH4+ + HCO3-
+	log_k		-0.0207
+	-analytic	-1.587e1 9.703e-2 0 0 0 -1.472e-4
+#	Range		0-40
+	-Vm		50.04
+#	Extrapol	Marion+12
+#	Ref		Marion+12
+
+NH4-muscovite # Tobelite
+	NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		6.8109
+	-analytical	-6.638e1 3.170e-1 0 0 0 -2.386e-4
+#	Range		25-325
+	-Vm		146.07 # Hovis04
+#	Extrapol	N17
+#	Ref		Wat81
+
+Ni
+	Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
+	log_k		50.9914
+	-delta_H	-333.745	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
+#	Range		0-350
+	-Vm		6.588
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ni(OH)2
+	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+	log_k		12.7485
+	-delta_H	-95.6523	kJ/mol
+#	deltafH		-529.998	kJ/mol
+	-analytic	-6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
+#	Range		0-200
+	-Vm		22.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ni2SiO4
+	Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
+	log_k		14.3416
+	-delta_H	-127.629	kJ/mol
+#	deltafH		-341.705	kcal/mol
+	-analytic	-4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
+#	Range		0-300
+	-Vm		42.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+NiCl2
+	NiCl2 = Ni+2 + 2 Cl-
+	log_k		8.6113
+	-delta_H	-82.7969	kJ/mol
+#	deltafH		-305.336	kJ/mol
+	-analytic	-1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
+#	Range		0-200
+	-Vm		36.70 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiCl2:2H2O
+	NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
+	log_k		3.9327
+	-delta_H	-37.6746	kJ/mol
+#	deltafH		-922.135	kJ/mol
+	-analytic	-4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
+#	Range		0-200
+	-Vm		64.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiSO4
+	NiSO4 = Ni+2 + SO4-2
+	log_k		5.3197
+	-delta_H	-90.5092	kJ/mol
+#	deltafH		-873.066	kJ/mol
+	-analytic	-1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
+#	Range		0-300
+	-Vm		42.05 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+NiSO4:6H2O(alpha)
+	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+	log_k		-2.0072
+	-delta_H	4.37983		kJ/mol
+#	deltafH		-2682.99	kJ/mol
+	-analytic	-1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
+#	Range		0-200
+	-Vm		126.6 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Nickelbischofite
+	NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
+	log_k		3.1681
+	-delta_H	0.064088	kJ/mol
+#	deltafH		-2103.23	kJ/mol
+	-analytic	-1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
+#	Range		0-200
+	-Vm		123.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ningyoite
+	CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
+	log_k		-29.7931
+	-delta_H	-36.4769	kJ/mol
+#	deltafH		-1016.65	kcal/mol
+	-analytic	-1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
+#	Range		0-200
+	-Vm		116.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Niter
+	KNO3 = K+ + NO3-
+	log_k		-0.2061
+	-delta_H	35.4794		kJ/mol
+#	deltafH		-494.46		kJ/mol
+	-analytic	-6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
+#	Range		0-300
+	-Vm		48.04 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Nontronite-Ca
+	Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5822
+	-delta_H	-38.138		kJ/mol
+#	deltafH		-1166.7		kcal/mol
+	-analytic	3.697 -4.892e-2 0 0 0 1.489e-5
+#	Range		0-300
+	-Vm		137.780
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C
+
+Nontronite-K
+	K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.8648
+	-delta_H	-26.5822	kJ/mol
+#	deltafH		-1167.93	kcal/mol
+	-analytic	-1.959 -3.115e-2 0 0 0 1.139e-6
+#	Range		0-300
+	-Vm		141.913
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C
+
+Nontronite-Mg
+	Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.6200
+	-delta_H	-41.1779	kJ/mol
+#	deltafH		-1162.93	kcal/mol
+	-analytic	2.476 -4.730e-2 0 0 0 1.382e-5
+#	Range		0-300
+	-Vm		136.815
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol
+
+Nontronite-Na
+	Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5263
+	-delta_H	-31.5687	kJ/mol
+#	deltafH		-1165.8		kcal/mol
+	-analytic	1.106 -4.045e-2 0 0 0 9.229e-6
+#	Range		0-300
+	-Vm		139.221
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C
+
+Okenite
+	CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
+	log_k		10.3816
+	-delta_H	-19.4974	kJ/mol
+#	deltafH		-749.641	kcal/mol
+	-analytic	-7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
+#	Range		0-300
+	-Vm		94.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+P
+	P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
+	log_k		132.1032
+	-delta_H	-848.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
+#	Range		0-300
+	-Vm		17.2 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Paragonite
+	NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		17.5220
+	-delta_H	-275.056	kJ/mol
+#	deltafH		-1416.96	kcal/mol
+	-analytic	3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
+#	Range		0-350
+	-Vm		132.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06
+
+Pargasite
+	NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
+	log_k		101.9939
+	-delta_H	-880.205	kJ/mol
+#	deltafH		-3016.62	kcal/mol
+	-analytic	-6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
+#	Range		0-350
+	-Vm		273.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Periclase
+	MgO + 2 H+ = H2O + Mg+2
+	log_k		21.3354
+	-delta_H	-150.139	kJ/mol
+#	deltafH		-143.8		kcal/mol
+	-analytic	-8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
+#	Range		0-350
+	-Vm		11.248
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Petalite
+	LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
+	log_k		-3.8153
+	-delta_H	-13.1739	kJ/mol
+#	deltafH		-4886.15	kJ/mol
+	-analytic	-6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
+#	Range		0-300
+	-Vm		128.4 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Phlogopite
+	KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
+	log_k		37.4400
+	-delta_H	-310.503	kJ/mol
+#	deltafH		-1488.07	kcal/mol
+	-analytic	-8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
+#	Range		0-350
+	-Vm		149.66
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Polydymite
+	Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
+	log_k		-48.9062
+#	deltafH		-78.014		kcal/mol
+	-analytic	-1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
+#	Range		0-200
+	-Vm		64.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Portlandite
+	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+	log_k		22.5552
+	-delta_H	-128.686	kJ/mol
+#	deltafH		-986.074	kJ/mol
+	-analytic	-8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
+#	Range		0-300
+	-Vm		33.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Prehnite
+	Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		32.9305
+	-delta_H	-311.875	kJ/mol
+#	deltafH		-1481.65	kcal/mol
+	-analytic	-3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
+#	Range		0-350
+	-Vm		140.33
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pseudowollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.9997
+	-delta_H	-79.4625	kJ/mol
+#	deltafH		-388.9		kcal/mol
+	-analytic	2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
+#	Range		0-300
+	-Vm		40.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Pyridine
+	C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
+	log_k		490.7474
+	-delta_H	-669.9574	kcal/mol
+	-analytic	1071.04 -2.50773 0 0 0 0.00188
+#	Range		0-350
+	-Vm		64.4
+#	Extrapol	supcrt92
+#	Ref		Hel+98
+
+Pyrite
+	FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
+	log_k		-24.6534
+	-delta_H	109.535		kJ/mol
+#	deltafH		-41		kcal/mol
+	-analytic	-2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
+#	Range		0-350
+	-Vm		23.94
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pyrolusite
+	MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
+	log_k		-17.6439
+	-delta_H	83.3804		kJ/mol
+#	deltafH		-520.031	kJ/mol
+	-analytic	-1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
+#	Range		0-300
+	-Vm		18.38 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Pyrophyllite
+	Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
+	log_k		0.4397
+	-delta_H	-102.161	kJ/mol
+#	deltafH		-1345.31	kcal/mol
+	-analytic	1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
+#	Range		0-350
+	-Vm		126.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Pyrrhotite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.7193
+	-delta_H	-7.9496		kJ/mol
+#	deltafH		-24		kcal/mol
+	-analytic	-1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
+#	Range		0-350
+	-Vm		18.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Quartz
+	SiO2 = SiO2
+	log_k		-3.9993
+	-delta_H	32.949		kJ/mol
+#	deltafH		-217.65		kcal/mol
+	-analytic	7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rankinite
+	Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
+	log_k		51.9078
+	-delta_H	-302.089	kJ/mol
+#	deltafH		-941.7		kcal/mol
+	-analytic	-9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
+#	Range		0-300
+	-Vm		96.13 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Rhodochrosite
+	MnCO3 + H+ = HCO3- + Mn+2
+	log_k		-0.1928
+	-delta_H	-21.3426	kJ/mol
+#	deltafH		-212.521	kcal/mol
+	-analytic	-1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
+#	Range		0-350
+	-Vm		31.075
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rhodonite
+	MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
+	log_k		9.7301
+	-delta_H	-64.7121	kJ/mol
+#	deltafH		-1319.42	kJ/mol
+	-analytic	2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
+#	Range		0-300
+	-Vm		35.87 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ripidolite
+	Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
+	log_k		60.9638
+	-delta_H	-572.472	kJ/mol
+#	deltafH		-1947.87	kcal/mol
+	-analytic	2.122e2 -6.025e-1 0 0 0 4.579e-4
+#	Range		0-300
+	-Vm		208.614
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Rutherfordine
+	UO2CO3 + H+ = HCO3- + UO2+2
+	log_k		-4.1064
+	-delta_H	-19.4032	kJ/mol
+#	deltafH		-1689.53	kJ/mol
+	-analytic	-8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
+#	Range		0-300
+	-Vm		57.90 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Rutile
+	TiO2 + 2 H2O = Ti(OH)4
+	log_k		-9.6452
+#	deltafH		-226.107	kcal/mol
+	-Vm		18.82
+#	Ref		RHF79
+
+S
+	S + H2O = 0.5 O2 + H+ + HS-
+	log_k		-45.0980
+	-delta_H	263.663		kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
+#	Range		0-300
+	-Vm		15.511 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Saleeite
+	Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-19.4575
+	-delta_H	-110.816	kJ/mol
+#	deltafH		-1189.61	kcal/mol
+	-analytic	-6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
+#	Range		0-200
+	-Vm		285.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Sanidine_high
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		0.9239
+	-delta_H	-35.0284	kJ/mol
+#	deltafH		-946.538	kcal/mol
+	-analytic	-3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
+#	Range		0-350
+	-Vm		109.008
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Saponite-Fe-Ca
+	Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		20.3624
+	-analytic	5.992e1 -1.681e-1 0 0 0 1.174e-4
+#	Range		0-300
+	-Vm		143.506
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Fe
+	Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.9359
+	-analytic	5.762e1 -1.630e-1 0 0 0 1.099e-4
+#	Range		0-300
+	-Vm		142.672
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-K
+	K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.7937
+	-analytic	5.427e1 -1.504e-1 0 0 0 1.037e-4
+#	Range		0-300
+	-Vm		147.639
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Mg
+	Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.5290
+	-analytic	5.870e1 -1.665e-1 0 0 0 1.163e-4
+#	Range		0-300
+	-Vm		142.541
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Na
+	Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.7977
+	-analytic	5.733e1 -1.597e-1 0 0 0 1.117e-4
+#	Range		0-300
+	-Vm		144.947
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-Ca
+	Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2900
+	-delta_H	-207.971	kJ/mol
+#	deltafH		-1436.51	kcal/mol
+	-analytic	8.088e1 -2.233e-1 0 0 0 1.655e-4
+#	Range		0-300
+	-Vm		141.250
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol match
+
+Saponite-Mg-Fe
+	Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		27.6789
+	-analytic	7.825e1 -2.180e-1 0 0 0 1.612e-4
+#	Range		0-300
+	-Vm		140.416
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-K
+	K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.0075
+	-delta_H	-196.402	kJ/mol
+#	deltafH		-1437.74	kcal/mol
+	-analytic	7.522e1 -2.055e-1 0 0 0 1.517e-4
+#	Range		0-300
+	-Vm		145.383
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C
+
+Saponite-Mg-Mg
+	Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2523
+	-delta_H	-210.822	kJ/mol
+#	deltafH		-1432.79	kcal/mol
+	-analytic	7.965e1 -2.217e-1 0 0 0 1.644e-4
+#	Range		0-300
+	-Vm		140.285
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C
+
+Saponite-Mg-Na
+	Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.3459
+	-delta_H	-201.401	kJ/mol
+#	deltafH		-1435.61	kcal/mol
+	-analytic	7.829e1 -2.148e-1 0 0 0 1.598e-4
+#	Range		0-300
+	-Vm		142.691
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C
+
+Sc
+	Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
+	log_k		167.2700
+	-delta_H	-1033.87	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
+#	Range		0-300
+	-Vm		15.038 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Scacchite
+	MnCl2 = Mn+2 + 2 Cl-
+	log_k		8.7785
+	-delta_H	-73.4546	kJ/mol
+#	deltafH		-481.302	kJ/mol
+	-analytic	-2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
+#	Range		0-300
+	-Vm		42.27 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Schoepite
+	UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
+	log_k		4.8333
+	-delta_H	-50.415		kJ/mol
+#	deltafH		-1826.1		kJ/mol
+	-analytic	1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
+#	Range		0-300
+	-Vm		66.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Sepiolite
+	Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
+	log_k		30.4439
+	-delta_H	-157.339	kJ/mol
+#	deltafH		-2418		kcal/mol
+	-analytic	1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
+#	Range		0-350
+	-Vm		285.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Si
+	Si + O2 = SiO2
+	log_k		148.9059
+	-delta_H	-865.565	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
+#	Range		0-300
+	-Vm		12.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Sillimanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		16.3080
+	-delta_H	-238.442	kJ/mol
+#	deltafH		-615.099	kcal/mol
+	-analytic	-7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
+#	Range		0-350
+	-Vm		49.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+SiO2(am)
+	SiO2 = SiO2
+        log_k		-2.7136
+	-delta_H	20.0539		kJ/mol
+#	deltafH		-214.568	kcal/mol
+	-analytic	1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
+#	Range		0-325
+	-Vm		29
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sm
+	Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
+	log_k		133.1614
+	-delta_H	-783.944	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
+#	Range		0-300
+	-Vm		19.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Smectite-high-Fe-Mg
+        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O 
+	log_k		17.4200
+	-delta_H	-199.841	kJ/mol
+#	deltafH		-1351.39	kcal/mol
+	-analytic	-9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
+#	Range		0-300
+	-Vm		139.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smectite-low-Fe-Mg
+        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O 
+	log_k		11.0405
+	-delta_H	-144.774	kJ/mol
+#	deltafH		-1352.12	kcal/mol
+	-analytic	-1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
+#	Range		0-300
+	-Vm		139.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smithsonite
+	ZnCO3 + H+ = HCO3- + Zn+2
+	log_k		0.4633
+	-delta_H	-30.5348	kJ/mol
+#	deltafH		-194.26		kcal/mol
+	-analytic	-1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
+#	Range		0-350
+	-Vm		28.275
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sphaerocobaltite
+	CoCO3 + H+ = Co+2 + HCO3-
+	log_k		-0.2331
+	-delta_H	-30.7064	kJ/mol
+#	deltafH		-171.459	kcal/mol
+	-analytic	-1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
+#	Range		0-300
+	-Vm		28.8 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		84sve
+
+Sphalerite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-11.4400
+	-delta_H	35.5222		kJ/mol
+#	deltafH		-49		kcal/mol
+	-analytic	-1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
+#	Range		0-350
+	-Vm		23.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel
+	Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+	log_k		37.6295
+	-delta_H	-398.108	kJ/mol
+#	deltafH		-546.847	kcal/mol
+	-analytic	-3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
+#	Range		0-350
+	-Vm		39.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel-Co
+	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
+	log_k		-6.4852
+	-delta_H	-126.415	kJ/mol
+#	deltafH		-891		kJ/mol
+	-analytic	-3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
+#	Range		0-300
+	-Vm		39.41 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Spodumene
+	LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
+	log_k		6.9972
+	-delta_H	-89.1817	kJ/mol
+#	deltafH		-3054.75	kJ/mol
+	-analytic	-9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
+#	Range		0-300
+	-Vm		58.37 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Stilbite
+	Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
+	log_k		1.0545
+	-delta_H	-83.0019	kJ/mol
+#	deltafH		-11005.7	kJ/mol
+	-analytic	-2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
+#	Range		0-300
+	-Vm		333.50 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		90how/joh
+
+Strengite
+	FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
+	log_k		-11.3429
+	-delta_H	-37.107		kJ/mol
+#	deltafH		-1876.23	kJ/mol
+	-analytic	-2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
+#	Range		0-300
+	-Vm		65.10 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Sylvite
+	KCl = Cl- + K+
+	log_k		0.8459
+	-delta_H	17.4347		kJ/mol
+#	deltafH		-104.37		kcal/mol
+	-analytic	-8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
+#	Range		0-350
+	-Vm		37.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Talc
+	Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
+	log_k		21.1383
+	-delta_H	-148.737	kJ/mol
+#	deltafH		-1410.92	kcal/mol
+	-analytic	1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
+#	Range		0-350
+	-Vm		136.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Tarapacaite
+	K2CrO4 = CrO4-2 + 2 K+
+	log_k		-0.4037
+	-delta_H	17.8238		kJ/mol
+#	deltafH		-335.4		kcal/mol
+	-analytic	2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
+#	Range		0-200
+	-Vm		70.87 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Tenorite
+	CuO + 2 H+ = Cu+2 + H2O
+	log_k		7.6560
+	-delta_H	-64.5047	kJ/mol
+#	deltafH		-37.2		kcal/mol
+	-analytic	-8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
+#	Range		0-350
+	-Vm		12.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Tephroite
+	Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
+	log_k		23.0781
+	-delta_H	-160.1		kJ/mol
+#	deltafH		-1730.47	kJ/mol
+	-analytic	-3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
+#	Range		0-300
+	-Vm		47.52 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th
+	Th + 4 H+ + O2 = Th+4 + 2 H2O
+	log_k		209.6028
+	-delta_H	-1328.56	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
+#	Range		0-300
+	-Vm		19.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Th(NO3)4:5H2O
+	Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
+	log_k		1.7789
+	-delta_H	-18.1066	kJ/mol
+#	deltafH		-3007.35	kJ/mol
+	-analytic	-1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
+#	Range		0-200
+	-Vm		203.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th(SO4)2
+	Th(SO4)2 = Th+4 + 2 SO4-2
+	log_k		-20.3006
+	-delta_H	-46.1064	kJ/mol
+#	deltafH		-2542.12	kJ/mol
+	-analytic	-8.4525 -3.5442e-2 0 0 -1.1540e5
+#	Range		0-200
+	-Vm		100.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th2S3
+	Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
+	log_k		95.2290
+	-delta_H	-783.243	kJ/mol
+#	deltafH		-1082.89	kJ/mol
+	-analytic	-3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
+#	Range		0-300
+	-Vm		71.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th7S12
+	Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
+	log_k		204.0740
+	-delta_H	-1999.4		kJ/mol
+#	deltafH		-4136.58	kJ/mol
+	-analytic	-2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
+#	Range		0-200
+	-Vm		248.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ThCl4
+	ThCl4 = Th+4 + 4 Cl-
+	log_k		23.8491
+	-delta_H	-251.094	kJ/mol
+#	deltafH		-283.519	kcal/mol
+	-analytic	-5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
+#	Range		0-200
+	-Vm		81.45 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		80lan/her
+
+ThS2
+	ThS2 + 2 H+ = Th+4 + 2 HS-
+	log_k		10.7872
+	-delta_H	-175.369	kJ/mol
+#	deltafH		-625.867	kJ/mol
+	-analytic	-3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
+#	Range		0-200
+	-Vm		40.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Thenardite
+	Na2SO4 = SO4-2 + 2 Na+
+	log_k		-0.3091
+	-delta_H	-2.33394	kJ/mol
+#	deltafH		-1387.87	kJ/mol
+	-analytic	-2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
+#	Range		0-300
+	-Vm		53.33 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Thermonatrite
+	Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
+	log_k		10.9623
+	-delta_H	-27.5869	kJ/mol
+#	deltafH		-1428.78	kJ/mol
+	-analytic	-1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
+#	Range		0-300
+	-Vm		54.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Thorianite
+	ThO2 + 4 H+ = Th+4 + 2 H2O
+	log_k		1.8624
+	-delta_H	-114.296	kJ/mol
+#	deltafH		-1226.4		kJ/mol
+	-analytic	-1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
+#	Range		0-300
+	-Vm		26.373 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ti
+	Ti + 2 H2O + O2 = Ti(OH)4
+	log_k		149.2978
+#	deltafH		0		kJ/mol
+	-Vm		10.631 # thermo.com.V8.R6+.tdat
+#	Ref		CWM89
+
+Ti2O3
+	Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
+	log_k		42.9866
+#	deltafH		-1520.78	kJ/mol
+	-Vm		32.02 # gfw/density
+#	Ref		WEP+82
+
+Ti3O5
+	Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
+	log_k		34.6557
+#	deltafH		-2459.24	kJ/mol
+	-Vm		48.93 # gfw/density
+#	Ref		WEP+82
+
+TiB2
+	TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
+	log_k		312.4194
+#	deltafH		-323.883	kJ/mol
+	-Vm		15.37 # gfw/density
+#	Ref		WEP+82
+
+TiC
+	TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
+	log_k		181.8139
+#	deltafH		-184.346	kJ/mol
+	-Vm		12.15 # gfw/density
+#	Ref		WEP+82
+
+TiCl2
+	TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
+	log_k		70.9386
+#	deltafH		-514.012	kJ/mol
+	-Vm		37.95 # gfw/density
+#	Ref		WEP+82
+
+TiCl3
+	TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
+	log_k		39.3099
+#	deltafH		-720.775	kJ/mol
+	-Vm		58.42 # gfw/density
+#	Ref		WEP+82
+
+TiN
+	TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
+	log_k		35.2344
+#	deltafH		-338.304	kJ/mol
+	-Vm		11.46 # gfw/density
+#	Ref		WEP+82
+
+Titanite
+	CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
+	log_k		719.5839
+#	deltafH		0		kcal/mol
+	-Vm		55.65
+#	Ref		RHF79
+
+Tobermorite-11A
+	Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
+	log_k		65.6121
+	-delta_H	-286.861	kJ/mol
+#	deltafH		-2556.42	kcal/mol
+	-analytic	7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
+#	Range		0-300
+	-Vm		286.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Tremolite
+	Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
+	log_k		61.2367
+	-delta_H	-406.404	kJ/mol
+#	deltafH		-2944.04	kcal/mol
+	-analytic	8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
+#	Range		0-350
+	-Vm		272.92
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Trevorite
+	NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
+	log_k		9.7876
+	-delta_H	-215.338	kJ/mol
+#	deltafH		-1081.15	kJ/mol
+	-analytic	-1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
+#	Range		0-200
+	-Vm		44.89 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Tridymite
+	SiO2 = SiO2
+	log_k		-3.8278
+	-delta_H	31.3664		kJ/mol
+#	deltafH		-909.065	kJ/mol
+	-analytic	3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
+#	Range		0-200
+	-Vm		26.12 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Troilite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.8184
+	-delta_H	-7.3296		kJ/mol
+#	deltafH		-101.036	kJ/mol
+	-analytic	-1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
+#	Range		0-300
+	-Vm		19.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+U
+	U + 2 H+ + 1.5 O2 = H2O + UO2+2
+	log_k		212.7800
+	-delta_H	-1286.64	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
+#	Range		0-300
+	-Vm		12.49 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+U2O2Cl5
+	U2O2Cl5 = U+4 + UO2+ + 5 Cl-
+	log_k		19.2752
+	-delta_H	-254.325	kJ/mol
+#	deltafH		-2197.4		kJ/mol
+	-analytic	-4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
+#	Range		0-300
+	-Vm		142.48 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+U3S5
+	U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
+	log_k		-0.3680
+	-delta_H	-218.942	kJ/mol
+#	deltafH		-1431		kJ/mol
+	-analytic	-1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
+#	Range		0-200
+	-Vm		106.12 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UC
+	UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
+	log_k		194.8241
+	-delta_H	-1202.82	kJ/mol
+#	deltafH		-97.9		kJ/mol
+	-analytic	-4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
+#	Range		0-300
+	-Vm		18.34 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl3
+	UCl3 = U+3 + 3 Cl-
+	log_k		13.0062
+	-delta_H	-126.639	kJ/mol
+#	deltafH		-863.7		kJ/mol
+	-analytic	-2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
+#	Range		0-300
+	-Vm		62.62 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl4
+	UCl4 = U+4 + 4 Cl-
+	log_k		21.9769
+	-delta_H	-240.719	kJ/mol
+#	deltafH		-1018.8		kJ/mol
+	-analytic	-3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
+#	Range		0-300
+	-Vm		78.00 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl6
+	UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
+	log_k		57.5888
+	-delta_H	-383.301	kJ/mol
+#	deltafH		-1066.5		kJ/mol
+	-analytic	-4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
+#	Range		0-300
+	-Vm		125.21 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UH3(beta)
+	UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
+	log_k		199.7683
+	-delta_H	-1201.43	kJ/mol
+#	deltafH		-126.98		kJ/mol
+	-analytic	5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
+#	Range		0-200
+	-Vm		22.01 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UN
+	UN + 3 H+ = NH3 + U+3
+	log_k		41.7130
+	-delta_H	-280.437	kJ/mol
+#	deltafH		-290		kJ/mol
+	-analytic	-1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
+#	Range		0-300
+	-Vm		45.85 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(NO3)2
+	UO2(NO3)2 = UO2+2 + 2 NO3-
+	log_k		11.9598
+	-delta_H	-81.6219	kJ/mol
+#	deltafH		-1351		kJ/mol
+	-analytic	-1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
+#	Range		0-200
+	-Vm		140.23 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO2(NO3)2:6H2O
+	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+	log_k		2.3189
+	-delta_H	19.8482		kJ/mol
+#	deltafH		-3167.5		kJ/mol
+	-analytic	-1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
+#	Range		0-300
+	-Vm		178.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(OH)2(beta)
+	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+	log_k		4.9457
+	-delta_H	-56.8767	kJ/mol
+#	deltafH		-1533.8		kJ/mol
+	-analytic	-1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
+#	Range		0-300
+	-Vm		51.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4
+	UO2SO4 = SO4-2 + UO2+2
+	log_k		1.9681
+	-delta_H	-83.4616	kJ/mol
+#	deltafH		-1845.14	kJ/mol
+	-analytic	-1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
+#	Range		0-300
+	-Vm		111.61 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4:3H2O
+	UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
+	log_k		-1.4028
+	-delta_H	-34.6176	kJ/mol
+#	deltafH		-2751.5		kJ/mol
+	-analytic	-5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
+#	Range		0-200
+	-Vm		108.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO3(beta)
+	UO3 + 2 H+ = H2O + UO2+2
+	log_k		8.3095
+	-delta_H	-84.5383	kJ/mol
+#	deltafH		-1220.3		kJ/mol
+	-analytic	-1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
+#	Range		0-300
+	-Vm		34.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+Uraninite
+	UO2 + 4 H+ = U+4 + 2 H2O
+	log_k		-4.8372
+	-delta_H	-77.8767	kJ/mol
+#	deltafH		-1085		kJ/mol
+	-analytic	-7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
+#	Range		0-325
+	-Vm		24.638
+#	Extrapol	Cp integration
+#	Ref		CWM89, SSB97 match
+
+Vaesite
+	NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
+	log_k		-26.7622
+	-delta_H	110.443		kJ/mol
+#	deltafH		-32.067		kcal/mol
+	-analytic	1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
+#	Range		0-200
+	-Vm		27.697 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Wollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.7605
+	-delta_H	-76.5756	kJ/mol
+#	deltafH		-389.59		kcal/mol
+	-analytic	3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
+#	Range		0-350
+	-Vm		39.93
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wurtzite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-9.1406
+	-delta_H	22.3426		kJ/mol
+#	deltafH		-45.85		kcal/mol
+	-analytic	-1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
+#	Range		0-350
+	-Vm		23.846
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wustite
+	Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
+	log_k		12.4113
+	-delta_H	-102.417	kJ/mol
+#	deltafH		-266.265	kJ/mol
+	-analytic	-7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
+#	Range		0-300
+	-Vm		12.04 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Xonotlite
+	Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
+	log_k		91.8267
+	-delta_H	-495.457	kJ/mol
+#	deltafH		-2397.25	kcal/mol
+	-analytic	1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
+#	Range		0-200
+	-Vm		264.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Zincite
+	ZnO + 2 H+ = H2O + Zn+2
+	log_k		11.2087
+	-delta_H	-88.7638	kJ/mol
+#	deltafH		-350.46		kJ/mol
+	-analytic	-8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
+#	Range		0-350
+	-Vm		14.338
+#	Extrapol	supcrt92, Cp integration
+#	Ref		SSW+97, CWM89 match
+
+Zn
+	Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
+	log_k		68.8035
+	-delta_H	-433.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
+#	Range		0-300
+	-Vm		9.162 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Zn(NO3)2:6H2O
+	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+	log_k		3.4102
+	-delta_H	24.7577		kJ/mol
+#	deltafH		-2306.8		kJ/mol
+	-analytic	-1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
+#	Range		0-200
+	-Vm		144.06 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(beta)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.9341
+	-delta_H	-83.2111	kJ/mol
+#	deltafH		-641.851	kJ/mol
+	-analytic	-7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(epsilon)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.6625
+	-delta_H	-81.7811	kJ/mol
+#	deltafH		-643.281	kJ/mol
+	-analytic	-7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn2SiO4
+	Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
+	log_k		13.8695
+	-delta_H	-119.399	kJ/mol
+#	deltafH		-1636.75	kJ/mol
+	-analytic	2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
+#	Range		0-200
+	-Vm		55.03 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCl2
+	ZnCl2 = Zn+2 + 2 Cl-
+	log_k		7.0880
+	-delta_H	-72.4548	kJ/mol
+#	deltafH		-415.09		kJ/mol
+	-analytic	-1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
+#	Range		0-200
+	-Vm		46.84 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCr2O4
+	ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
+	log_k		7.9161
+	-delta_H	-221.953	kJ/mol
+#	deltafH		-370.88		kcal/mol
+	-analytic	-1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
+#	Range		0-200
+	-Vm		44.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+ZnSO4
+	ZnSO4 = SO4-2 + Zn+2
+	log_k		3.5452
+	-delta_H	-80.132		kJ/mol
+#	deltafH		-982.855	kJ/mol
+	-analytic	6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
+#	Range		0-200
+	-Vm		45.61 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnSO4:6H2O
+	ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
+	log_k		-1.6846
+	-delta_H	-0.412008	kJ/mol
+#	deltafH		-2777.61	kJ/mol
+	-analytic	-1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
+#	Range		0-200
+	-Vm		130.08 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zoisite
+	Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.3017
+	-delta_H	-458.131	kJ/mol
+#	deltafH		-1643.69	kcal/mol
+	-analytic	2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
+#	Range		0-350
+	-Vm		135.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C
+
+#---------------------------
+# carbfix.dat additions and changes
+#---------------------------
+
+Ankerite
+	CaFe(CO3)2 = Ca+2 + Fe+2 + 2 CO3-2
+	log_k		-20.8732 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+    -analytic	6743.140988642074 2.3089611210263445 -252723.63251182728 -2681.493160205648 9.661065201605685e6 -0.0008807525923414785 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			66.060 # HP11
+
+Dolomite
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	log_k		-17.5755 # carbfix.dat
+	-analytic	29.3854 -0.08464 -6474.23 0 0 0 # carbfix.dat
+	-Vm			64.365 # core10.dat
+
+Siderite #M 115.856
+	FeCO3 = Fe+2 + CO3-2
+	log_k		-11.0441 # carbfix.dat
+	-analytic	349.4317054926304 0.03628114046578195 -13573.811090861998 -131.65143185871804 0 0 # carbfix.dat
+	-Vm			29.378 # core10.dat
+
+Vaterite
+	CaCO3 = Ca+2 + CO3-2
+	log_k		-7.913 # PB82
+	-analytic	-172.1295 -0.077993 3074.688 71.595 # PB82
+	-Vm			37.628 # Webmineral
+
+Chamosite
+	Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
+	log_k		51.0989 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2261.8191086219654 -0.05624157931775312 177907.89284663578 751.8600225754568 -1.0016051707895715e7 -0.00016619114943726155 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm		213.42 # Wilson+06
+
+Ferroactinolite
+	Ca2Fe5Si8O24H2 + 14 H+ = 8 H2O + 2 Ca++ + 5 Fe++ + 8 SiO2
+	log_k		53.8577 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-6166.998542330102 -1.037219798091501 365861.8176639852 2233.6116457595454 -2.0884200268246245e7 0.00012380655710718727 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			284.20 # HP11
+
+Analcime
+	Na0.96Al0.96Si2.04O6:1H2O + 3.84 H+ = 0.96 Al+3 + 2.04 SiO2 + 0.96 Na+ + 2.92 H2O
+	log_k		6.46778 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-1607.397164637225 -0.20244882417823173 100724.95781836317 567.7196058320366 -6.033769323248515e6 -5.813879879598253e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			97.43 # Neu00
+
+Chabazite-Ca
+	CaAl2Si4O12:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 SiO2 + 10 H2O
+	log_k		14.7771 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3008.8025156663593 -0.3755910460310381 188997.49544842725 1062.7947084349842 -1.1188005391588064e7 -0.00002583123991650134 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			247.45 # Neu00
+
+Chabazite-Na
+	Na2Al2Si4O12:6H2O + 8 H+ = 2 Al+3 + 2 Na+ + 4 SiO2 + 10 H2O
+	log_k		16.9077 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3186.8278093507747 -0.418380143168157 196138.93487499916 1132.2901846509246 -1.157949755113691e7 -0.000010048464434853268 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			247.45 # Neu00
+
+Clinoptilolite-Ca
+	Ca1.5Al3Si15O36:12H2O + 12 H+ = 3 Al+3 + 1.5 Ca+2 + 15 SiO2 + 18 H2O
+	log_k		-6.46186 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-9671.715446207168 -1.2994995558734899 586051.6056233725 3435.4387233980556 -3.6938991496076465e7 0.000020765835897886403 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			628.14 # Neu00
+
+Clinoptilolite-Na
+	Na3Al3Si15O36:10H2O + 12 H+ = 3 Al+3 + 3 Na+ + 15 SiO2 + 16 H2O
+	log_k		-9.10501 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-9935.986589349232 -1.3651421045919674 595717.5272789554 3537.941435564227 -3.7574827008609205e7 0.00004659640445273473 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			628.14 # Neu00
+
+Heulandite-Ca 
+	CaAl2Si7O18:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 10 H2O
+	log_k		3.436 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4716.20373811867 -0.6097204104617631 290361.2230601926 1669.4918855360143 -1.8033731828280084e7 -7.066268784616783e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			319.27 # Neu00
+
+Heulandite-Na
+	Na2Al2Si7O18:5H2O + 8 H+ = 2 Al+3 + 2 Na+ + 7 SiO2 + 9 H2O
+	log_k		6.5703 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4893.663438946976 -0.6527198597381667 298513.6715970333 1737.9764230580004 -1.846214573574453e7 9.017353510490205e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			314.27 # Neu00
+
+Laumontite 
+	CaAl2Si4O12:4.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 8.5 H2O
+	log_k		14.7774 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2953.1864248185643 -0.3460678860757567 189179.5402824526 1037.3497867115404 -1.133807260140713e7 -0.000030091905800782725 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			209.68 # Neu00
+
+Leonhardite 
+	CaAl2Si4O12:3.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 7.5 H2O
+	log_k		14.8743 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2952.1293972721705 -0.34742048679718 189640.4641323959 1036.5589592559031 -1.1353314773495251e7 -0.00002980389895752243 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			204.6 # Neu00
+
+Mesolite 
+	Ca0.667Na0.666Al2Si3O10:2.667H2O + 8 H+ = 2 Al+3 + 0.667 Ca+2 + 3 SiO2 + 0.666Na+ + 6.667 H2O
+	log_k		17.4218 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2514.705149002807 -0.29384113565312087 161655.70641411358 883.4921843216846 -9.406741691291668e6 -0.00003131384483046101 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			171.60 # Neu00
+
+Mordenite-Ca
+	Ca0.5AlSi5O12:4H2O + 4 H+ = 1 Al+3 + 0.5 Ca+2 + 5 SiO2 + 6 H2O
+	log_k		-7.0717 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3209.8424385413937 -0.42341047224966527 194516.0226403748 1137.819893904924 -1.2397691837671977e7 6.8216657981027104e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			208.74 # Neu00
+
+Mordenite-Na
+	NaAlSi5O12:3H2O + 4 H+ = 1 Al+3 + 1 Na+ + 5 SiO2 + 5 H2O
+	log_k		-1.64368 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3304.0194429277494 -0.44813101451196 199814.8259786772 1174.547352199426 -1.2617592209620891e7 0.00001579003538196579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			208.74 # Neu00
+
+Natrolite
+	Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 3 SiO2 + 2 Na+ + 6 H2O
+	log_k		19.1579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2597.197018319145 -0.31602003400891093 165224.20445157515 915.9259126075954 -9.615658410718244e6 -0.000020437594207700833 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			169.22 # Neu00
+
+Scolecite
+	CaAl2Si3O10:3H2O + 8 H+ = 2 Al+3 + Ca+2 + 3 SiO2 + 7 H2O
+	log_k		16.5484 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2472.9848254242747 -0.282577973571597 159852.11641836836 867.0866007988283 -9.301702517122421e6 -0.00003682208544087395 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			172.29 # Neu00
+
+Stilbite-Ca
+	CaAl2Si7O18:7H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 11 H2O
+	log_k		3.25107 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4700.580605084462 -0.6041316785312421 289527.09790938033 1663.141867840657 -1.795058537490787e7 -5.933631409739997e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			333.48 # Neu00
+
+Thomsonite
+	Ca2NaAl5Si5O20:6H2O + 20 H+ = 5 Al+3 + 2 Ca+2 + 5 SiO2 + Na+ + 16 H2O
+	log_k		53.2914 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4574.622243877597 -0.4696926814639755 308149.84600719286 1591.2127911035302 -1.7223826926743384e7 -0.00010328397531931611 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			338.10 # Neu00
+
+Wairakite
+	CaAl2Si4O12:2H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 6 H2O
+	log_k		18.7266 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3019.9452775460704 -0.35597487369231395 196047.2234609314 1059.0051267650902 -1.159849076955757e7 -0.000030402580312874294 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			190.35 # Neu00
+
+Yugawaralite
+	CaAl2Si6O16:4H2O + 8 H+ = 2 Al+3 + 6 SiO2 + 1 Ca+2 + 8 H2O
+	log_k		7.98228 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4107.23434950416 -0.5135363017836825 257073.67049534645 1449.0996243850718 -1.5841096694718203e7 -0.000015762141005939227 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			265.79 # Neu00
+
+#----------
+# 15 gases
+#----------
+
+C2H4(g)
+	C2H4 = C2H4
+	log_k		-2.323631
+	-delta_H	-3.930		kcal/mol
+	-analytic	-14.5616 0.0176 2192.2 0 0 -3.8657e-6
+#	Range		0-350
+	-T_c		283 # K
+	-P_c		50.53
+	-Omega		0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+C2H6(g)
+	C2H6 = C2H6
+	log_k		-2.93276
+	-delta_H	-4.509		kcal/mol
+	-analytic	-23.1154 0.0354 3289.1 0 0 -1.5637e-5
+#	Range		0-350
+	-T_c		305 # K
+	-P_c		48.16
+	-Omega		0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98	
+
+C3H8(g)
+	C3H8 = C3H8
+	log_k		-2.876
+	-analytic	1.885	-2.55e-2 0 0 0 3.20e-5 # Not the best
+#	Range		0-350
+	-T_c		369.522 # K
+	-P_c		42.4924
+	-Omega		0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98
+
+CH4(g)
+	CH4 = CH4 
+	log_k		-2.8502
+	-delta_H	-13.0959	kJ/mol
+#	deltafH		-17.88		kcal/mol
+	-analytic	-24.027 4.7146e-3 372.27 6.4264 2.3362e5
+#	Range		0-350
+	-T_c		190.6 # K
+	-P_c		45.40
+	-Omega		0.008 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+CO(g)
+	CO = CO
+	log_k		-3.0068
+	-delta_H	-10.4349	kJ/mol
+#	deltafH		-26.416		kcal/mol
+	-analytic	-8.0849 9.2114e-3 0 0 2.0813e5
+#	Range		0-350
+	-T_c		133 # K
+	-P_c		34.54
+	-Omega		0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+CO2(g)
+	CO2 + H2O = H+ + HCO3-   
+	log_k		-7.8136
+	-delta_H	-10.5855	kJ/mol
+#	deltafH		-94.051		kcal/mol
+	-analytic	-8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
+#	Range		0-350
+	-T_c		304.25 # K
+	-P_c		72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
+	-Omega		0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2(g)
+	H2 = H2
+	log_k		-3.1050
+	-delta_H	-4.184		kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+#	Range		0-350
+	-T_c		33.2 # K
+	-P_c		12.80
+	-Omega		0.225 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2O(g) # HP98
+	H2O = 1.000 H2O
+	-log_k 1.5108
+	-analytic -1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
+	-T_c  647.3
+	-P_c  220.9
+	-Omega  0.344
+
+H2S(g)
+	H2S = H+ + HS-     
+	log_k		-7.9759
+	-delta_H	4.5229		kJ/mol
+#	deltafH		-4.931		kcal/mol
+	-analytic	-97.354 -3.1576e-2 1.8285e3 37.44 28.56
+#	Range		0-350
+	-T_c		373.2 # K
+	-P_c		88.20
+	-Omega		0.1
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+N2(g)
+	N2 = N2
+	log_k		-3.1864 
+	-delta_H	-10.4391	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
+#	Range		0-350
+	-T_c		126.2 # K
+	-P_c		33.50
+	-Omega		0.039
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NH3(g)
+	NH3 = NH3       
+	log_k		1.7966
+	-delta_H	-35.2251	kJ/mol
+#	deltafH		-11.021		kcal/mol
+	-analytic	-18.758 3.3670e-4 2.5113e3 4.8619 39.192
+#	Range		0-350
+	-T_c		405.6 # K
+	-P_c		111.3
+	-Omega		0.25
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NO(g)
+	NO + 0.5 H2O + 0.25 O2 = H+ + NO2- 
+	log_k		0.7554
+	-delta_H	-48.8884	kJ/mol
+#	deltafH		90.241		kJ/mol
+	-analytic	8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
+#	Range		0-300
+	-T_c		180 # K
+	-P_c		64.64
+	-Omega		0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92, Cp integration
+#	Ref		AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag
+
+NO2(g)
+	NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- 
+	log_k		8.3673
+	-delta_H	-94.0124	kJ/mol
+#	deltafH		33.154		kJ/mol
+	-analytic	9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
+#	Range		0-300
+	-T_c		431 # K
+	-P_c		99.67
+	-Omega		0 # Not found
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+O2(g)
+	O2 = O2       
+	log_k		-2.8983
+	-delta_H	-12.1336	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.5001 7.8981e-3 0.0 0.0 2.0027e5
+#	Range		0-300
+	-T_c		154.6 # K phreeqc.dat
+	-P_c		49.80 # phreeqc.dat
+	-Omega		0.021 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+SO2(g)
+	SO2 = SO2
+	log_k		0.1700
+	-delta_H	0
+#	deltafH		0		kcal/mol
+	-analytic	-2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
+#	Range		0-300
+	-T_c		430 # K
+	-P_c		77.67
+	-Omega		0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+#----------
+# Additional phases added for the purpose of the kinetics
+#----------
+
+#Basaltic glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
+#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
+Glass_Basalt_leached_layer
+	Si1.00Al0.35O2(OH)1.05 + 0.35 OH- = 0.35 Al(OH)4- + SiO2
+	log_k		-2.36449
+	-analytic	77.82514814711445 0.032450265390183614 -1502.5932036570116 -33.02705435543141 -216815.051931841 -7.454186812457974e-6
+
+#Rhyolite glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
+#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
+Glass_Rhyolite_leached_layer
+Si1.00Al0.23O2(OH)0.69 + 0.23 OH- = 0.23 Al(OH)4- + SiO2
+	log_k -2.49416
+	-analytic 5.1557406e+01 2.3750757e-02 -1.7710982e+02 -2.2884601e+01 -3.0907618e+05 -4.8984656e-06
+
+#----------
+# Additional phases  
+##Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals####
+# 16 added solids
+# The thermodynmaic propeties are from the llnl.data database expet for Gaspite 
+#------------
+
+
+Anglesite
+        PbSO4  =  +  Pb+2 +  SO4-2
+        log_k           -7.8527
+	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
+#	Enthalpy of formation:	-219.87 kcal/mol
+		-analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
+		-Vm			47.950 #https://thermoddem.brgm.fr/ 
+#       -Range:  0-300
+
+Barite
+        BaSO4  =  +  Ba++ +  SO4-2
+        log_k           -9.9711
+	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
+#	Enthalpy of formation:	-352.1 kcal/mol
+        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
+	-Vm			52.1 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Celestite
+        SrSO4  =  +  SO4-2 +  Sr+2
+        log_k           -5.6771
+	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
+#	Enthalpy of formation:	-347.3 kcal/mol
+        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
+	-Vm			46.25 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Cerussite
+        PbCO3 + H+  =  + HCO3- + Pb+2
+        log_k           -3.2091
+	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
+#	Enthalpy of formation:	-168 kcal/mol
+        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
+#       -Range:  0-300
+
+Fluorapatite
+        Ca5(PO4)3F +3.0 H+  =  +  F- + 3.0 HPO4-2 + 5.0 Ca++
+        log_k           -24.9940
+	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
+#	Enthalpy of formation:	-6836.12 kJ/mol
+        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
+	-Vm			157.56 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Fluorite
+        CaF2  =  +  Ca++ + 2.0 F-
+        log_k           -10.0370
+	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
+#	Enthalpy of formation:	-293 kcal/mol
+        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
+	-Vm			24.542 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Gaspite  # M 118.702 https://thermoddem.brgm.fr/
+NiCO3 + H+ = HCO3- + Ni+2
+		log_k -0.74
+        -analytic -909.497277	-0.146985	50789.653398	329.221149	-2880194.459776
+		-Vm			26.978 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Otavite
+        CdCO3 + H+  =  +  Cd++ +  HCO3-
+        log_k           -1.7712
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyromorphite
+        Pb5(PO4)3Cl +3.0 H+  =  +  Cl- + 3.0 HPO4-2 + 5.0 Pb+2
+        log_k           -47.8954
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyromorphite-OH
+        Pb5(OH)(PO4)3 +4.0 H+  =  +  H2O + 3.0 HPO4-2 + 5.0 Pb+2
+        log_k           -26.2653
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
+	-Vm			188.40 #https://thermoddem.brgm.fr/
+#	Enthalpy of formation:	0 kcal/mol
+
+Rhodochrosite
+        MnCO3 + H+  =  +  HCO3- +  Mn+2
+        log_k           -0.1928
+	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
+#	Enthalpy of formation:	-212.521 kcal/mol
+        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
+	-Vm			31.075 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Smithsonite
+        ZnCO3 + H+  =  +  HCO3- +  Zn+2
+        log_k           0.4633
+	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
+#	Enthalpy of formation:	-194.26 kcal/mol
+        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
+#       -Range:  0-300
+
+
+Strontianite
+        SrCO3 + H+  =  +  HCO3- +  Sr+2
+        log_k           -0.3137
+	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
+#	Enthalpy of formation:	-294.6 kcal/mol
+        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
+#       -Range:  0-300
+
+Witherite
+        BaCO3 + H+  =  +  Ba+2 +  HCO3-
+        log_k           -2.9965
+	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
+#	Enthalpy of formation:	-297.5 kcal/mol
+        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
+#       -Range:  0-300
+
+# A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018) 143–164
+Monazite-Ce  # M 235.087 g/mol   
+	CePO4 + H+ = Ce+3 + HPO4-2
+	log_k		-18.12
+	-analytic 0.968 0.0474 4.384E+03
+	
+Variscite # M 157.983 #https://thermoddem.brgm.fr/
+	AlPO4:2H2O + 2H+ = Al+3 + H2PO4- + 2 H2O
+	log_k		-2.16
+	-analytic	-1069.095997	-0.173224	59751.042067	386.011849	-3287463.862916
+	-Vm			61.953 
+
+##
+Illite
+        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
+        log_k           9.0260
+	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
+#	Enthalpy of formation:	-1394.71 kcal/mol
+        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
+#       -Range:  0-300
+
+
+
+#----------
+# List of the RATE blocks (details in Hermanska et al. 2022, 2023)
+#----------
+
+
+RATES
+
+Albite #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Albite_high #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite_high"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite_high")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Albite_low #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite_low"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite_low")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Almandine#Fe3Al2(SiO4)3, M 500.4 g/mol
+-start
+1 name$ = "Almandine"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.0e5#mol/m2/s
+1001 An = 2.31e-4#mol/m2/s
+1002 Ab = 6.0e-8#mol/m2/s 
+1003 na = 1
+1004 nb = -0.4 
+1005 Ea = 60000
+1006 En = 43200 
+1007 Eb = 42300  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Almandine")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Analcime#Na0.96Al0.96Si2.04O6:1H2O; 219.27 g/mol
+-start
+1 name$ = "Analcime"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5.0e7#mol.m-2.s-1
+1001 An = 1.0e-1	#mol.m-2.s-1 
+1002 Ab = 7.5e-5 #mol.m-2.s-1
+1003 Ea = 63000 #J.mol-1
+1004 En = 58500	#J.mol-1
+1005 Eb = 58000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1
+1010 nb = -0.4
+1011 Sig = 2.04
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Analcime")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+
+Andalusite#Al2SiO5, M 162.9 g/mol
+-start
+1 name$ = "Andalusite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.39#mol/m2/s
+1001 An = 8.0e-3#mol/m2/s
+1002 Ab = 8.8e-15#mol/m2/s 
+1003 na = 0.15
+1004 nb = -1.2
+1005 Ea = 58000
+1006 En = 60000
+1007 Eb = 50000 
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+1001 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Andalusite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Andesine_ss#Ca0.4Na0.6Al1.4Si2.6O8 , M 268.613 g/mol
+-start
+1 name$ = "Andesine_ss"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 268.613 else S = m0 * ((m/m0)^(2/3)) * 268.613 * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+10 SR_Andesine=(SR ("Albite")*0.6)*(SR ("Anorthite")*0.4)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Andesine < 1) Then GoTo 5000 # warning no dissolution reaction
+200 If (SR_Andesine > 1) Then GoTo 5000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 146.75#mol.m-2.s-1
+1001 An = 0.19	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.67
+1010 nb = -0.35
+1011 Sig = 2.6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Andesine^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Andradite#Ca3Fe2(SiO4)3, M 510.9 g/mol
+-start
+1 name$ = "Andradite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.6e5#mol/m2/s
+1001 An = 3.2e-4#mol/m2/s 
+1003 na = 1
+1005 Ea = 60000
+1006 En = 43200  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Andradite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+
+Annite	#KFe3AlSi3O10(OH)2; M 511.85 g/mol
+-start
+1 name$ = "Annite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Annite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anorthite	#CaAl2Si2O8; M 278.204 g/mol
+-start
+1 name$ = "Anorthite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3))* GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 9.82e4	#mol.m-2.s-1
+1001 An = 1.5E-1	#mol.m-2.s-1 
+1002 Ab = 1.5E-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.22
+1010 nb = -0.35
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Anorthite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anthophyllite #Mg7Si8O22(OH)2, M 780.807 g/mol
+-start
+1 name$ = "Anthophyllite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.7e-4 #mol.m-2.s-1
+1001 An = 5.0e-6 #mol.m-2.s-1
+1002 Ea = 52000 #J.mol-1
+1003 En = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.42
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Anthophyllite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Antigorite	#Mg3Si2O5(OH4); M 277 g/mol
+-start
+1 name$ = "Antigorite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+#------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000 #J.mol-1
+1004 En = 27000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Antigorite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Augite_ss#Mg0.45Fe0.275Ca0.275SiO3;M 113.4  g/mol   
+-start
+   2 if (PARM(1) = 0) then  goto 3 else goto 5
+   3 if PARM(3) = 0 then S = PARM(2) * m * 113.4 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
+   4 GOTO 1000
+   5 S = PARM(2)*TOT("water")
+   10 SR_Augite=(SR ("Wollastonite")*0.45)*(SR ("Ferrosilite")*0.275)*(SR ("Enstatite")*0.275)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Augite < 1) Then GoTo 5000 # warning no dissolution reaction
+200 If (SR_Augite > 1) Then GoTo 5000 # warning no precipitation reaction
+#------------------Kinetic calculation---------------------##
+        #Parameters   
+1000 Aa =1.52e6
+1001 An =350
+1002 Ea =81834
+1003 En =83000
+1004 R =  8.314
+1006 Sig = 1
+1007 na =0.7
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Augite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Ca#Ca.175Al2.35Si3.65O10(OH)2; M 366.9 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+#------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Fe# Fe.175Al2.35Si3.65O10(OH)2  369.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-K# K.35Al2.35Si3.65O10(OH)2; M 373.6 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Mg# Mg.175Al2.35Si3.65O10(OH)2; M 364.2 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Na# Na.35Al2.35Si3.65O10(OH)2 ; M 368.0 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Biotite_ss	#KFe1.5Mg1.5AlSi3O10(OH)2; M 464.564 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 464.564 else S = m0 * ((m/m0)^(2/3)) * 464.564 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Biotite=(SR ("Annite")*0.5)*(SR ("Phlogopite")*0.5)
+
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Biotite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Biotite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Biotite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Bronzite_ss#Mg0.77Fe0.23SiO3, M 107.6 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 107.6 else S = m0 * ((m/m0)^(2/3)) * 107.6 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Bronzite=(SR ("Enstatite")*0.77)*(SR ("Ferrosilite")*0.23)
+
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Bronzite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Bronzite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 9.5e-4# mol.m-2.s-1
+1001 An = 7.6e-1# mol.m-2.s-1
+1002 Ea = 38548# J/mol   
+1003 En = 66100# J/mol
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Bronzite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Bytownite_ss#Ca0.77Na0.23Al1.77Si2.23O8, M 243.67 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 243.67 else S = m0 * ((m/m0)^(2/3)) * 243.67 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Bytownite=(SR ("Albite")*0.23)*(SR ("Anorthite")*0.77)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Bytownite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Bytownite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 18838.52 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.105
+1010 nb = -0.35
+1011 Sig = 2.23
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Bytownite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chabazite-Ca# CaAl2Si4O12:6H2O
+-start
+1 name$ = "Chabazite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.221 #mol.m-2.s-1
+1001 An = 1.56e-4	#mol.m-2.s-1 
+1002 Ab = 4.94e-5 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Chabazite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chabazite-Na# Na2Al2Si4O12:6H2O
+-start
+1 name$ = "Chabazite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.221 #mol.m-2.s-1
+1001 An = 1.56e-4	#mol.m-2.s-1 
+1002 Ab = 4.94e-5 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Chabazite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chalcedony# SiO2 M 60.08 g/mol #listed as Amorphous SiO2 in DB part 1
+-start
+1 name$ = "Chalcedony"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.563e-4#mol/m2/s
+1001 Ab = 0.0353#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 41610 
+1005 Eb = 73000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Chalcedony")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chrysotile	# Mg3Si2O5(OH4); M 278.9 g/mol
+-start
+1 name$ = "Chrysotile"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000  #J.mol-1
+1004 En = 27000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Chrysotile")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chamosite# Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
+-start
+1 name$ = "Chamosite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Chamosite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Clinochlore-14A#Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
+-start
+1 name$ = "Clinochlore-14A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Clinochlore-14A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinochlore-7A# Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
+-start
+1 name$ = "Clinochlore-7A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Clinochlore-7A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinoptilolite-Ca# Ca1.5Al3Si15O36:12H2O
+-start
+1 name$ = "Clinoptilolite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 15
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR ("Clinoptilolite-Ca")
+/Sig))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinoptilolite-Na# Na3Al3Si15O36:10H2O
+-start
+1 name$ = "Clinoptilolite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 15
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Clinoptilolite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Cristobalite(alpha)#SiO2; M 60.08 g/mol
+-start
+1 name$ = "Cristobalite(alpha)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Cristobalite(alpha)")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Cristobalite(beta)#SiO2, M 60.08 g/mol
+-start
+1 name$ = "Cristobalite(beta)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Cristobalite(beta)")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Daphnite-14A#Fe5Al(AlSi3O10)(OH)8;M 713.44 g/mol
+-start
+1 name$ = "Daphnite-14A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Daphnite-14A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Daphnite-7A#Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
+-start
+1 name$ = "Daphnite-7A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Daphnite-7A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Diopside #CaMgSi2O6; M 216.55 g/mol
+-start
+1 name$ = "Diopside"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 8.55e-5 #mol.m-2.s-1
+1001 An = 4.30e-4 #mol.m-2.s-1
+1003 Ea = 32654 #J.mol-1
+1004 En = 43866 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.25
+1009 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Diopside")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Enstatite#MgSiO3;M 100.387 g/mol
+-start
+1 name$ = "Enstatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.574 #mol.m-2.s-1
+1001 An = 6252 #mol.m-2.s-1
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1 
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 1
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Enstatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Epidote#Ca2FeAl2Si3O12OH;M 483.215 g/mol
+-start
+1 name$ = "Epidote"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.09 #mol.m-2.s-1 
+1001 An = 5.13e-5  #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.30
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Epidote")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Epidote-ord#Ca2FeAl2Si3O12OH;M 483.215 g/mol
+-start
+1 name$ = "Epidote-ord"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.14e1 #mol.m-2.s-1 
+1001 An = 5.13e-5  #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.56
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Epidote-ord")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fayalite   #Fe2SiO4;M 203.771 g/mol
+-start
+1 name$ = "Fayalite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.20e6# mol.m-2.s-1
+1001 Ab =1.91e3# mol.m-2.s-1
+1002 Ea =70400# J/mol
+1003 Eb =60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =0.44
+1008 nb =0.22	
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
+2002 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR("Fayalite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Ferroactinolite #Ca2Fe5Si8O22(OH)2, M 970.053 g/mol, kinetic parameters from Tremolite
+-start
+1 name$ = "Ferroactinolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+5 S = PARM(2)*TOT("water")
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 En = 48000 #J.mol-1
+1004 R = 8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Ferroactinolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Forsterite   #Mg2SiO4, M 140.692 g/mol   
+-start
+1 name$ = "Forsterite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =14.8e4# mol.m-2.s-1
+1001 Ab =220# mol.m-2.s-1
+1002 Ea =70400# J/mol
+1003 Eb =60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1   
+1007 na = 0.44
+1008 nb = 0.22
+		#Rate Equation
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
+2009 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR("Forsterite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Glass_Basalt#SiTi0.02Al0.36Fe0.19Mg0.28Ca0.26Na0.08K0.008O3.364 , M 122.566 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 122.566 else S = m0 * ((m/m0)^(2/3)) * 122.566 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR ("Glass_Basalt_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR ("Glass_Basalt_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 if (m0<=0) then go to 5000
+1001 Aa = 1.08e-4	#mol.m-2.s-1
+1003 Ea = 21500	#J.mol-1
+1006 R = 8.3144 #J.deg-1.mol-1
+1007 ACTI = (ACT ("H+")^3)/(ACT("Al+3"))
+1008 n = 1/3
+1009 Sig = 1
+		#rate equation
+2000 rplus = Aa * ACTI^n  * exp(-Ea/ (R * Tk)) * S
+3000 rate = rplus * (1 - (SR ("Glass_Basalt_leached_layer")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Glass_Rhyolite#SiAl0.23Na0.13Fe0.05K0.05Ca0.03Mg0.007Ti0.004O2.536; M 84.165 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 84.165 else S = m0 * ((m/m0)^(2/3)) * 84.165 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR("Glass_Rhyolite_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR("Glass_Rhyolite_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.6e-3	#mol.m-2.s-1
+1002 Ab = 7.0e-8 #mol.m-2.s-1
+1003 Ea = 36000  #J.mol-1
+1005 Eb = 52000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.48
+1010 nb = -0.6
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa +  rplusb
+3000 rate = rplus * (1 - (SR("Glass_Rhyolite_leached_layer")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Glaucophane_ss#Na2Mg3Al2Si8O22(OH)2, M 783.531 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 783.531 else S = m0 * ((m/m0)^(2/3)) * 783.531 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Glaucophane =((SR ("Anthophyllite")*1)*(SR ("Jadeite")*2))*(SR ("Enstatite")*(-4))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Glaucophane < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Glaucophane > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 220 #mol.m-2.s-1
+1001 Ab = 1.0e-4 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 Eb = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.7
+1006 nb = -0.12
+1007 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Glaucophane^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Grossular#Ca3Al2(SiO4)3, M 453 g/mol
+-start
+1 name$ = "Grossular"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.0e5#mol/m2/s
+1001 An = 2.31e-4#mol/m2/s
+1002 Ab = 6.0e-8#mol/m2/s 
+1003 na = 1
+1004 nb = -0.4 
+1005 Ea = 60000
+1006 En = 43200 
+1007 Eb = 42300  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Grossular")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Heulandite-Ca# CaAl2Si7O18:6H2O
+-start
+1 name$ = "Heulandite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Heulandite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Heulandite-Na# Na2Al2Si7O18:5H2O
+-start
+1 name$ = "Heulandite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Heulandite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Hornblende_ss#Ca2(Mg4Al)(Si7Al)O22(OH)2, M 813.927 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 813.927 else S = m0 * ((m/m0)^(2/3)) * 813.927 * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+10 SR_Hornblende =((SR ("Tremolite")*1)*(SR ("Corundum")*1))*(SR ("Enstatite")*(-1))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Hornblende < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Hornblende > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5.0e-3 #mol.m-2.s-1
+1001 Ab = 2.1e-5 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 Eb = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.17
+1006 nb = -0.12
+1007 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Hornblende^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Illite# K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2
+-start
+1 name$ = "Illite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 7.3e-4 #mol.m-2.s-1
+1001 An = 3.348e-3	#mol.m-2.s-1 
+1002 Ab = 6.0e-8 #mol.m-2.s-1
+1003 Ea = 50000 #J.mol-1
+1004 En = 70000	#J.mol-1
+1005 Eb = 74000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1009 nb = -0.6
+1011 Sig = 3.5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Illite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Jadeite# NaAl(SiO3)2;M 203.9 g/mol
+-start
+1 name$ = "Jadeite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 25 #mol.m-2.s-1 
+1001 An = 2.70e5 #mol.m-2.s-1  
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 2
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Jadeite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Kaolinite	# Al2Si2O5(OH)4; M 258.16 g/mol
+-start
+1 name$ = "Kaolinite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.85	#mol.m-2.s-1
+1001 An = 4.15e-3	#mol.m-2.s-1 
+1002 Ab = 2.40e-11 #mol.m-2.s-1
+1003 Ea = 73000  #J.mol-1
+1004 En = 67000	#J.mol-1
+1005 Eb = 61000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.45
+1010 nb = -0.76
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 -SR("Kaolinite")^(1/Sig))
+4000 moles = rate * time
+5000 save moles
+-end
+
+K-Feldspar #KAlSi3O8; M 278.33 g/mol
+-start
+1 name$ = "K-Feldspar"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("K-Feldspar")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Kyanite# Al2SiO5, M 162.9 g/mol
+-start
+1 name$ = "Kyanite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.115#mol/m2/s
+1001 An = 1e-3#mol/m2/s
+1002 Ab = 1.5e-13#mol/m2/s 
+1003 na = 0.15
+1004 nb = -1
+1005 Ea = 58000
+1006 En = 60000
+1007 Eb = 50000
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+1001 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Kyanite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Larnite   #Ca2SiO4;M 172.237 g/mol
+-start
+1 name$ = "Larnite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 5.25e8# mol.m-2.s-1
+1001 Ab = 8.25e5# mol.m-2.s-1
+1002 Ea = 70400# J/mol
+1003 Eb = 60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =0.44
+1008 nb =0.22	
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
+2002 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR ("Larnite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Labradorite_ss# Ca0.68Na0.32Al1.68Si2.32O8, M 245.84 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Labradorite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Labradorite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5886.557 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1010 nb = -0.35
+1011 Sig = 2.32
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+2010 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
+3000 rate = rplus * (1 - (SR_Labradorite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Labradorite_ss_an55# Ca0.55Na0.45Al1.68Si2.32O8, M 245.84 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 Labradorite_ss_an55=(SR ("Albite")*0.55)*(SR ("Anorthite")*0.55)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Labradorite_an55 < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Labradorite_an55 > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5886.557 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1010 nb = -0.35
+1011 Sig = 2.32
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (Labradorite_ss_an55^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Laumontite# CaAl2Si4O12:4.5H2O
+-start
+1 name$ = "Laumontite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.25 #mol.m-2.s-1
+1001 An = 1.39e-3	#mol.m-2.s-1 
+1002 Ab = 7.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Laumontite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Lizardite	#Mg3Si2O5(OH4); M 277 g/mol
+-start
+1 name$ = "Lizardite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000 #J.mol-1
+1004 En = 27000 	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Lizardite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Leonhardite# CaAl2Si4O12:3.5H2O
+-start
+1 name$ = "Leonhardite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.25 #mol.m-2.s-1
+1001 An = 1.39e-3	#mol.m-2.s-1 
+1002 Ab = 7.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Leonhardite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Maximum_Microcline #KAlSi3O8; M 278.33 g/mol
+-start
+1 name$ = "Maximum_Microcline"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("Maximum_Microcline")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Mesolite# Ca0.667Na0.666Al2Si3O10:2.667H2O
+-start
+1 name$ = "Mesolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mesolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Montmor-Ca# Ca.175Mg.35Al1.65Si4O10(OH)2
+-start
+1 name$ = "Montmor-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Montmor-Mg# Mg.525Al1.65Si4O10(OH)2; M 363.6 g/mol
+-start
+1 name$ = "Montmor-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Montmor-K#
+-start
+1 name$ = "Montmor-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Mordenite-Ca# Ca0.5AlSi5O12:4H2O
+-start
+1 name$ = "Mordenite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000 else goto 1000 # warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 else goto 1000# warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mordenite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Mordenite-Na# NaAlSi5O12:3H2O
+-start
+1 name$ = "Mordenite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mordenite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Muscovite #KAl3Si3O10(OH)2, M 398.303 g/mol
+-start
+1 name$ = "Muscovite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.000126#mol.m-2.s-1  
+1001 An = 0.00000631#mol.m-2.s-1
+1002 Ab = 0.0000316#mol.m-2.s-1 
+1004 Ea = 41311    #J.mol-1  
+1005 En = 39301    #J.mol-1 
+1006 Eb = 56950    #J.mol-1 
+1008 R =  8.314 #J.deg-1.mol-1
+1009 nA = 0.37
+1010 nb = -0.22
+2000 Sig = 3
+		#rate equations
+2005 rplusa = Aa* (exp(-Ea/ (R * Tk)))*((act("H+"))^nA )* S
+2006 rplusn = An* (exp(-En/ (R * Tk)))* S
+2007 rplusb = Ab* (exp(-Eb/ (R * Tk)))*((act("H+"))^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Muscovite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Natrolite# Na2Al2Si3O10:2H2O
+-start
+1 name$ = "Natrolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Natrolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nepheline #NaAlSiO4
+-start
+1 name$ = "NaAlSiO4"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5e7 #mol.m-2.s-1
+1001 An = 0.1	#mol.m-2.s-1 
+1002 Ab = 7.5e-5 #mol.m-2.s-1
+1003 Ea = 63000 #J.mol-1
+1004 En = 58500	#J.mol-1
+1005 Eb = 58000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1009 nb = -0.4
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("NaAlSiO4")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Ca# Ca.175Fe2Al.35Si3.65H2O12; M 424.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-K# K.35Fe2Al.35Si3.65H2O12; M 431.3 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Mg# Mg.175Fe2Al.35Si3.65H2O12; M 421.9 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Na# Na.35Fe2Al.35Si3.65H2O12; M 425.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Oligoclase_ss#Ca0.186Na0.814Al1.186Si2.814O8, M 265.2 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 265.2 else S = m0 * ((m/m0)^(2/3)) * 265.2 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Oligoclase=(SR ("Albite")*0.814)*(SR ("Anorthite")*0.186)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Oligoclase < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Oligoclase > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 6.8	#mol.m-2.s-1
+1001 An = 0.2	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.38
+1010 nb = -0.35
+1011 Sig = 2.814
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Oligoclase^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Olivine_ss#Mg1.8Fe0.2SiO4;M   147.31 g/mol   
+-start
+   2 if (PARM(1) = 0) then  goto 3 else goto 5
+   3 if PARM(3) = 0 then S = PARM(2) * m * 147.31 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
+   4 GOTO 1000
+   5 S = PARM(2)*TOT("water")
+10 SR_Olivine=(SR ("Forsterite")*0.9)*(SR ("Fayalite")*0.1)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Olivine < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Olivine > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa  =14.8e4# mol.m-2.s-1 # Forsterite rate!
+1001 Ab  =220# mol.m-2.s-1  # Forsterite rate!
+1002 Ea  =70400# J/mol
+1003 Eb  =60900# J/mol
+1004 R =  8.314 #J.deg-1.mol-1
+1006 Sig = 1   
+1007 na = 0.44
+1008 nb = 0.22
+#Rate Equation
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Olivine^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Paragonite # NaAl3Si3O10(OH)2
+-start
+1 name$ = "Paragonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 7.3e-4 #mol.m-2.s-1
+1001 An = 3.48e-3	#mol.m-2.s-1 
+1002 Ab = 6.0e-8 #mol.m-2.s-1
+1003 Ea = 50000 #J.mol-1
+1004 En = 70000	#J.mol-1
+1005 Eb = 74000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1009 nb = -0.6
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Paragonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pargasite #NaCa2Al3Mg4Si6O22(OH)2, M 835.814 g/mol, kinetic parameters from glaucophane in DB P1
+-start
+1 name$ = "Pargasite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.327e8 #mol.m-2.s-1
+1001 Ab = 5000 #mol.m-2.s-1
+1002 Ea = 85000 #J.mol-1
+1003 Eb = 94400 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.7
+1006 nb = -0.12
+1007 Sig = 6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2010 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Pargasite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Phlogopite	#KAlMg3Si3O10(OH)2; M 417.25
+-start
+1 name$ = "Phlogopite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Phlogopite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Prehnite#Ca2Al2Si3O10(OH)2 ;M 415.1 g/mol
+-start
+1 name$ = "Prehnite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.30e3 #mol.m-2.s-1 
+1001 An = 1.0 #mol.m-2.s-1
+1002 Ab = 1.53e1 #mol.m-2.s-1  
+1003 Ea = 77000 #J.mol-1
+1004 En = 80000 #J.mol-1
+1005 Eb = 80000 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.35
+1009 nb = -0.075
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Prehnite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pyrophyllite#Al2Si4O10(OH)2, M 363.908 g/mol
+-start
+1 name$ = "Pyrophyllite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.60e4 #mol.m-2.s-1
+1001 An = 1.5e-1	#mol.m-2.s-1 
+1002 Ab = 2.0e-8 #mol.m-2.s-1
+1003 Ea = 73000 #J.mol-1
+1004 En = 67000	#J.mol-1
+1005 Eb = 61000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.7
+1010 nb = -0.7
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Pyrophyllite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Quartz#SiO2; M 60.08 g/mol
+-start
+1 name$ = "Quartz"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Quartz")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Riebeckite_ss#Na2Fe5Si8O22(OH)2, M 935.877 g/mol, kinetic parameters from tremolite
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 935.877 else S = m0 * ((m/m0)^(2/3)) * 935.877 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Riebeckite =((SR ("Wollastonite")*1)*(SR ("Jadeite")*2))*(SR ("Sillimanite")*(-2))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Riebeckite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Riebeckite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000  #J.mol-1
+1003 En = 48000  #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Riebeckite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Sanidine_high #KAlSi3O8; M 278.33 g/mol, kinetic parameters from K-feldspar in DB P1
+-start
+1 name$ = "Sanidine_high"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("Sanidine_high")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Saponite-Fe-Ca#Ca.175Fe3Al.35Si3.65O10(OH)2; M 480.5 g/mol
+-start
+1 name$ = "Saponite-Fe-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Fe#Fe3.175Al.35Si3.65O10(OH)2; M 483.3  g/mol
+-start
+1 name$ = "Saponite-Fe-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-K#K.35Fe3Al.35Si3.65O10(OH)2; M 487.2  g/mol
+-start
+1 name$ = "Saponite-Fe-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Mg#Mg.175Fe3Al.35Si3.65O10(OH)2 ; M 477.7  g/mol
+-start
+1 name$ = "Saponite-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Na#Na.35Fe3Al.35Si3.65O10(OH)2; M 481.5  g/mol
+-start
+1 name$ = "Saponite-Fe-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Ca#Ca.175Mg3Al.35Si3.65O10(OH)2 ; M 385.9  g/mol
+-start
+1 name$ = "Saponite-Mg-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Fe#Fe.175Mg3Al.35Si3.65O10(OH)2 ; M 388.6 g/mol
+-start
+1 name$ = "Saponite-Mg-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-K#K.35Mg3Al.35Si3.65O10(OH)2 ; M 392.6 g/mol
+-start
+1 name$ = "Saponite-Mg-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Mg#Mg3.175Al.35Si3.65O10(OH)2  ; M 383.0 g/mol
+-start
+1 name$ = "Saponite-Mg-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Na#Na.35Mg3Al.35Si3.65O10(OH)2; M 386.9 g/mol
+-start
+1 name$ = "Saponite-Mg-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Scolecite# CaAl2Si3O10:3H2O
+-start
+1 name$ = "Scolecite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR ("Scolecite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Sepiolite #Mg4Si6O15(OH)2:6H2O,653.22 g/mol
+-start
+1 name$ = "Sepiolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.89e-3 #mol.m-2.s-1
+1001 An = 8.0e-7 #mol.m-2.s-1
+1002 Ea = 50200  #J.mol-1
+1003 En = 40700 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.248
+1006 Sig = 6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Sepiolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+SiO2(am)#M 60.08 g/mol
+-start
+1 name$ = "SiO2(am)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.563e-4#mol/m2/s
+1001 Ab = 0.0353#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 41610 
+1005 Eb = 73000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("SiO2(am)") ^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Smectite-high-Fe-Mg# Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12
+-start
+1 name$ = "Smectite-high-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Smectite-high-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Smectite-low-Fe-Mg# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12; 395.5 g/mol
+-start
+1 name$ = "Smectite-low-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.75
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Smectite-low-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Spodumene# LiAlSi2O6;M 187.9 g/mol
+-start
+1 name$ = "Spodumene"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 490 #mol.m-2.s-1 
+1001 An = 5.40e6 #mol.m-2.s-1  
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 2
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Spodumene")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Stilbite# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12
+-start
+1 name$ = "Stilbite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3.75
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Stilbite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Stilbite-Ca# CaAl2Si7O18:7H2O
+-start
+1 name$ = "Stilbite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Stilbite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Talc #Mg3Si4O10(OH)2,379.259 g/mol
+-start
+1 name$ = "Talc"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.004424914  #mol.m-2.s-1
+1001 An = 1.56e-6 #mol.m-2.s-1
+1002 Ea = 50200  #J.mol-1
+1003 En = 40700 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.36
+1006 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Talc")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Tremolite #Ca2Mg5Si8O22(OH)2, 812.353 g/mol
+-start
+1 name$ = "Tremolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000  #J.mol-1
+1003 En = 48000  #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Tremolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Thomsonite# Ca2NaAl5Si5O20:6H2O
+-start
+1 name$ = "Thomsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	 #mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Thomsonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Wollastonite#CaSiO3;M 117.1 g/mol
+-start
+1 name$ = "Wollastonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 700 #mol.m-2.s-1 
+1001 Ab = 20 #mol.m-2.s-1  
+1003 Ea = 56000 #J.mol-1
+1004 Eb = 52000 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.4
+1009 nb = 0.15
+1010 Sig = 1
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Wollastonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Zoisite#Ca2Al3(SiO4)3OH;M 457.1 g/mol
+-start
+1 name$ = "Zoisite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.09 #mol.m-2.s-1 
+1001 An = 5.13e-5 #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.30
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Zoisite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+#### Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals###############################
+
+Anglesite	#PbSO4; M 303.264 g/mol
+-start
+1 name$ = "Anglesite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.0e-2 #mol.m-2.s-1
+1002 Ab = 2e-14 #mol.m-2.s-1
+1003 Ea = 26000    #J.mol-1
+1005 Eb = 26000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Anglesite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anhydrite #CaSO4; M 136.14 g/mol
+-start
+1 name$ = "Anhydrite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.30e3 #mol.m-2.s-1
+1003 Ea = 37700    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa
+3000 rate = rplus * (1 - (SR ("Anhydrite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fluorapatite #Ca5(PO4)3F ; M 504.302 g/mol
+-start
+1 name$ = "Fluorapatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 80 #mol.m-2.s-1
+1002 Ab = 3e-2 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.8
+1009 nb = 0.2
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Fluorapatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Hydroxyapatite #Ca5(OH)(PO4)3 ; M 502.31 g/mol
+-start
+1 name$ = "Hydroxyapatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 80 #mol.m-2.s-1
+1002 Ab = 3e-2 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.8
+1009 nb = 0.2
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Hydroxyapatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Barite #BaSO4 ; M 233.404 g/mol
+-start
+1 name$ = "Barite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.5e-3 #mol.m-2.s-1
+1003 Ea = 26000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Barite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Boehmite #AlO2H  : M 59.988 g/mol
+-start
+1 name$ = "Boehmite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.85 #mol.m-2.s-1
+1001 An = 4.2e-3 #mol.m-2.s-1
+1002 Ab = 5.4e-11 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Boehmite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Brucite #Mg(OH)2 ; M 58.32 g/mol
+-start
+1 name$ = "Brucite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e4 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.19
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Brucite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Celestite  #SrSO4 ; M 183.684 g/mol
+-start
+1 name$ = "Celestite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.8e-2 #mol.m-2.s-1
+1003 Ea = 24000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Celestite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+		
+Diaspore #AlHO2 : M 59.99 g/mol
+-start
+1 name$ = "Diaspore"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.85 #mol.m-2.s-1
+1001 An = 4.2e-3 #mol.m-2.s-1
+1002 Ab = 5.4e-11 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Diaspore")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fluorite  #CaF2 ; M 78.075 g/mol
+-start
+1 name$ = "Fluorite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e6 #mol.m-2.s-1
+1003 Ea = 75000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.12
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Fluorite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Gibbsite #Al(OH)3 : M 78.00 g/mol
+-start
+1 name$ = "Gibbsite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 20.0 #mol.m-2.s-1
+1001 An = 3.0e-2 #mol.m-2.s-1
+1002 Ab = 3.0e-10 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Gibbsite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Gypsum #CaSO4:2H2O : M 172.17 g/mol
+-start
+1 name$ = "Gypsum"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.8e4 #mol.m-2.s-1
+1003 Ea = 37700    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Gypsum")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+	
+Halite #NaCl : M 58.44 g/mol
+-start
+1 name$ = "Halite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1001 An = 3.3e-4 #mol.m-2.s-1
+1004 En = -22340    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1010 Sig = 1
+		#rate equation
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2003 rplus =rplusn
+3000 rate = rplus * (1 - (SR ("Halite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Monazite-Ce #CePO4  : M 235.087 g/mol
+-start
+1 name$ = "Monazite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.0e-4 #mol.m-2.s-1
+1001 An = 1.0e-7 #mol.m-2.s-1
+1002 Ab = 1.2e-11 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1004 En = 43000    #J.mol-1
+1005 Eb = 43000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.7
+1009 nb = -0.5
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Monazite-Ce")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+	
+Periclase #MgO : M 40.304 g/mol
+-start
+1 name$ = "Periclase"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e4 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.19
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Periclase")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pyromorphite  #Pb5(PO4)3Cl ; M 1356.365 g/mol 
+-start
+1 name$ = "Pyromorphite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 58 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.68
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Pyromorphite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Variscite #AlPO4:2H2O ; M 157.983 g/mol
+-start
+1 name$ = "Variscite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.0e-4 #mol.m-2.s-1
+1002 Ab = 2.4e-7 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.3
+1009 nb = -0.3
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Variscite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+## carbonates
+
+Aragonite   #CaCO3; M 100.0869 g/mol
+-start
+1 name$ = "Aragonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =11.025# mol.m-2.s-1
+1001 Ac = 122.5 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Aragonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Calcite   #CaCO3; M 100.0869 g/mol
+-start
+1 name$ = "Calcite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =5.625# mol.m-2.s-1
+1001 Ac = 62.5 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Calcite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Cerussite   #PbCO3; M 267.2089 g/mol
+-start
+1 name$ = "Cerussite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.55# mol.m-2.s-1
+1001 Ac = 45.45 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Cerussite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Dawsonite # NaAlCO3(OH)2 : M 144.0 g/mol
+-start
+1 name$ = "Dawsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.6e5# mol.m-2.s-1
+1001 Ac = 0.3 # mol.m-2.s-1
+1002 Ea =55000# J/mol
+1003 Eac =55000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =0	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Dawsonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Dolomite # CaMg(CO3)2: M 184.40 g/mol !!!
+-start
+1 name$ = "Dolomite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.2e-3# mol.m-2.s-1
+1001 Ac = 650 # mol.m-2.s-1
+1002 Ea =10000# J/mol
+1003 Eac =65000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1.9  
+1007 na =0.5
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Dolomite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Gaspite # NiCO3: M 118.702 g/mol
+-start
+1 name$ = "Gaspite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.6e-6# mol.m-2.s-1
+1001 Ac = 6.73e-3 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 3.73  
+1007 na =0.55
+1008 kc =1000	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Gaspite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Magnesite # MgCO3: M 84.314 g/mol
+-start
+1 name$ = "Magnesite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =5e-4# mol.m-2.s-1
+1001 Ac = 2.7e-2 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =45000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 3.94 
+1007 na =0.66
+1008 kc =380	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Magnesite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Otavite # CdCO3: M 172.419 g/mol
+-start
+1 name$ = "Otavite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.02# mol.m-2.s-1
+1001 Ac = 11.36 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1 
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Otavite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Rhodochrosite #MnCO3  : M 114.95 g/mol
+-start
+1 name$ = "Rhodochrosite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.28e-3# mol.m-2.s-1
+1001 Ac = 0.4 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 4.65 
+1007 na =0.5
+1008 kc =1000	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Rhodochrosite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Siderite # FeCO3: M 115.856 g/mol !!!
+-start
+1 name$ = "Siderite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2e-3# mol.m-2.s-1
+1001 Ac = 0.2 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 4
+1007 na =0.7
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Siderite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Smithsonite # ZnCO3: M 125.399 g/mol  !!!
+-start
+1 name$ = "Smithsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.94# mol.m-2.s-1
+1001 Ac = 8.89 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 2
+1007 na =1
+1008 kc =200	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Smithsonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Strontianite # ZnCO3: M 125.399 g/mol
+-start
+1 name$ = "Strontianite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.2e-3# mol.m-2.s-1
+1001 Ac = 8.89 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1
+1007 na =1
+1008 kc =240	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Strontianite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Witherite # BaCO3: M 197.349 g/mol !!!
+-start
+1 name$ = "Witherite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =35# mol.m-2.s-1
+1001 Ac = 12 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Witherite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+	
+###!
+
+
+
diff --git a/database/Kinec_v3.dat b/database/Kinec_v3.dat
new file mode 100644
index 00000000..d782d182
--- /dev/null
+++ b/database/Kinec_v3.dat
@@ -0,0 +1,12159 @@
+# KINEC_v3.dat - last edited July 23, 2024 by MA and EHO.
+#
+# This database contains the parameters for calculating mineral dissolution rates for primary and secondary silicate minerals using the equations and parameters reported by Hermanska et al. (2022, 2023),
+# and dissolution rates for other mineral systems using the equations and parameters reported by Oelkers and addassi (2024*).
+#
+# This database contains thermodynamic properties from the Carbfix.dat (Voigt et al., 2018) and the llnl.dat database. 
+# The thermodynamic data for Gaspite, Variscite were taken from https://thermoddem.brgm.fr/ and Monazite-Ce was extracte from (A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018))
+#
+# Several solid solutions have been added to the kinetics database to properly address the release of metals from solid solutions.  The solubilities of these solid solutions are based on the ideal mechanical mixing of the endmembers. These solid solutions are indicated by the suffix: _ss
+#
+#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
+# README for the RATES blocks in the Kinec.v2.dat file
+
+
+# Reference literature for derived kinetic fits can be found in Hermanska et al. (2022, 2003) and Oelkers and addassi (2024*), along with pH and temperature conditions. Note the minerals glauconite and  Struvite are not present in the current database due to lack of thermodynamic data. 
+# Also please note that extrapolation of the database to different conditions or mineral precipitation might lead to incorrect results.  
+
+
+# When loading this database in PHREEQC, simulations can make use of them through using KINETICS blocks. These rates could also be imported to different thermodynamics databases if desired.
+
+# Below is a minimal example for such a KINETICS block, explaining the different parameters specific to KINEC.v2.dat. Other parameters can be specified as explained in the PHREEQC documentation.
+
+#------------------------------------------------
+##Example data block for mineral end-members:
+
+#KINETICS
+#Albite                                 # Name of the mineral
+#    -m0        1e-3                    # Initial moles of mineral
+#    -parms     0 100 0 0               # Four parameters as explained below
+
+##Example data block for selected mineral solid solutions (selected solid solutions listed in Appendix in Hermanska et al. (2022)):
+
+#KINETICS
+#Augite_ss                                  # Name of the mineral
+#    -formula  Mg0.45Fe0.275Ca0.275SiO3  1  # Mineral formula ! must be added to run solid soultions. 
+#    -m0       100                          # Initial moles of mineral
+#    -parms    0 0.0088183 0 2              # Four parameters as explained below
+
+#------------------------------------------------
+#Parameters:
+#Four parameters are necessary when using rates from Kenec.dat:
+# - The first parameter specifies if the specific surface area is entered as m2 per g of rock (0) or m2 per kg of water (1)
+# - The second parameter specifies the specific surface area of the mineral (in m2/g or m2/kgw depending on the choice of the first parameter)
+#  - The third parameters define how the surface area changes during dissolution and has three possible values. This option is only available when the first parameter is 0. If the first parameter is 1, the surface area is always constant.
+#   0: The surface area changes linearly with the moles of the mineral present
+#   1: The surface area changes according to the geometry of dissolving cubes or spheres
+#- The fourth  parameter specifies the dissolution and precipitation option
+#	0: allow dissolution and precipitation
+#	1: allow precipitation only
+#	2: allow dissolution only 
+#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
+#
+# References for KINEC_v3.dat database description: 
+#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2022) A comprehensive and internally consistent mineral dissolution rate database: Part I: Primary silicate minerals and glasses. Chemical Geology. 597, 120807. https://doi.org/10.1016/j.chemgeo.2022.120807
+#
+#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2023) A comprehensive and internally consistent mineral dissolution rate database: Part II: Secondary silicate minerals. Chemical Geology. 636, 121632 https://doi.org/10.1016/j.chemgeo.2023.121632
+#
+# and 
+#
+# Oelkers, E.H., Addassi, M. 2024. A comprehensive and internally consistent mineral dissolution rate database: Part III: Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals. (in preperation)
+# *********************************************************************
+#
+# Thermodynamics from carbfix.dat (Voigt et al., 2018).
+# Reference for carbfix.dat database description: Voigt M., Marieni C., Clark D. E., Gislason S. R., and Oelkers E. H. (2018) Evaluation and refinement of thermodynamic databases for mineral carbonation. Energy Procedia 146, 81-91. http://dx.doi.org/10.1016/j.egypro.2018.07.012
+# 
+# Reference for core10.dat database description: Neveu M., Desch S. J., Castillo-Rogez J. C. (2017) Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions, and fate of antifreezes and radionuclides. Geochimica et Cosmochimica Acta 212, 324-371. http://dx.doi.org/10.1016/j.gca.2017.06.023
+#
+#***********************************************************************
+#
+# Extrapolation algorithms:
+# 64cri/cob: ? (12 aq species, all also with supcrt92)
+# Cp integration = Integration of heat capacity vs. temperature measurements (162 solids, 2 gases)
+# Constant H approx = Constant enthalpy approximation (76 solids)
+# 69hel: http://dx.doi.org/10.2475/ajs.267.7.729 (5 aq species)
+# Marion+12 (NH4Cl, NH4HCO3)
+# supcrt92 = SUPCRT92 (329 aq, solids, gases)
+# N17 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
+#
+# References:
+# APP14: http://dx.doi.org/10.1016/j.gca.2013.10.003 (25 molar volumes, see phreeqc.dat)
+# AS01: http://dx.doi.org/10.1016/S0168-6445(00)00062-0 (NO(g))
+# BH86: Barta and Hepler, 1986, Can. J.C. 64, 353. (Al+3, AlOH+2 molar volumes)
+# Catalano13: http://dx.doi.org/10.1002/jgre.20161 (23 saponites + ripidolite)
+# CWM89: http://www.worldcat.org/oclc/18559968 (20 solids, incl. 14 elemental)
+# E68: Ellis, 1968, J. Chem. Soc. A, 1138. (Li+ molar volume)
+# HDN+78: http://www.worldcatlibraries.org/oclc/13594862 (117 solids)
+# Hel+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (Pyridine)
+# Hel+09: http://dx.doi.org/10.1016/j.gca.2008.03.004 (Kerogen C128, C292, C515)
+# HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g))
+# Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume)
+# HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes)
+# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C):  Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g))
+# Kel60: http://www.worldcat.org/oclc/693388901 (8 gases)
+# M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume)
+# Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+)
+# Marion+05: http://dx.doi.org/10.1016/j.gca.2004.06.024 (Arcanite, Gypsum, Niter, Thenardite molar volumes)
+# Marion+08: http://dx.doi.org/10.1016/j.gca.2007.10.012 (FeOH+, FeOH+2, Melanterite molar volume)
+# Marion+09: http://dx.doi.org/10.1016/j.gca.2009.03.013 (Alum-K molar volume)
+# Marion+12: http://dx.doi.org/10.1016/j.icarus.2012.06.016 (NH4Cl, NH4HCO3)
+# MLS+03: http://dx.doi.org/10.2138/am-2003-5-613 (Goethite)
+# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X (HCl, MgSO4)
+# N17: http://dx.doi.org/10.1016/j.gca.2017.06.023 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
+# R01: http://dx.doi.org/10.1016/S0016-7037(01)00761-X ([(6)(CB)(CB)S])
+# RHF79: http://pubs.er.usgs.gov/publication/b1452 (40 solids)
+# RH98: http://dx.doi.org/10.1016/S0016-7037(97)00345-1 ([(aro)-O-(aro)], Kerogen C128, C292, C515)
+# SH88: http://dx.doi.org/10.1016/0016-7037(88)90181-0 (42 solutes, 1 solid)
+# SH90: http://dx.doi.org/10.1016/0016-7037(90)90429-O (6 organic solutes)
+# Sho93: http://dx.doi.org/10.1016/0016-7037(93)90542-5 (C2H4(g), CO(g))
+# Sho95: http://dx.doi.org/10.2475/ajs.295.5.496 (4 organic solutes)
+# Sho09: http://dx.doi.org/10.2113/gsecongeo.104.8.1235 (Goethite)
+# SHS89: http://dx.doi.org/10.1016/0016-7037(89)90341-4 (11 solutes)
+# SK93: http://dx.doi.org/10.1016/0016-7037(93)90128-J (44 acetic acid/acetate complexes)
+# SS93: http://dx.doi.org/10.1016/0016-7037(93)90337-V (CH2O)
+# SM93: http://dx.doi.org/10.1006/icar.1993.1185 (CO, CO(NH2)2, HCN solutes)
+# SSB97: http://dx.doi.org/10.1016/S0016-7037(97)00240-8 (UO2OH+, Uraninite)
+# SSH97: http://dx.doi.org/10.1016/S0016-7037(97)00009-4 (30 solutes)
+# SSW+97: https://doi.org/10.1016/S0016-7037(96)00339-0
+# SSW01: http://dx.doi.org/10.1016/S0016-7037(01)00717-7 (CO2, H2S)
+# Ste01: http://dx.doi.org/10.1016/S0009-2541(00)00263-1 (Ti(OH)4)
+# Wat81: “Ammonium Aluminosilicates: The Examination of a Mechanism for the High Temperature Condensation of Ammonia in Circumplanetary Subnebulae” MS Thesis, MIT, 1981. (NH4-feldspar, NH4-muscovite)
+# WEP+82: http://dx.doi.org/10.1063/1.555845 (87 solutes, solids, and gases)
+# WebElements: http://www.webelements.com/periodicity/molar_volume (K, U molar volumes)
+# WebMineral: http://www.webmineral.com (38 solid molar volumes)
+# Wilson+06: http://dx.doi.org/10.1016/j.gca.2005.10.003 (Chamosite, Lizardite)
+#
+# 73bar/kna: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances:  Springer-Verlag, New York. (Alum-K, MgOHCl, Na2SiO3, Nahcolite)
+# 77bar/kna: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances. Supplement:  Springer-Verlag, New York. (Natrosilite, Pseudowollastonite, Rankinite)
+# 87bou/bar: http://dx.doi.org/10.2113/gsecongeo.82.7.1839 (ZnOH+)
+# 88db 3: Database development group iii/3, 1988, Errors in computation of estimated delH298 for montmor-x endmembers of smectite-di solid solution:  LLNL Internal Memo. (Montmor-Ca, K, Mg, Na)
+# 89db 7=89db 6, Database development group, 1989, Zeolite thermodynamic data:  LLNL Internal memo. (Clinoptilolite-K)
+# 76del/hal: http://dx.doi.org/10.1021/cr60301a001 (2 Cr solutes, 9 Cr solids)
+# 92gre/fug: Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H., 1992, Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium:  North-Holland, Amsterdam, 1, 714p. (4 U solutes, 21 U solids)
+# 90how/joh: http://dx.doi.org/10.1016/S0144-2449(05)80307-0 (Stilbite)
+# 75kas/bor: Kashkay, C.H.M., Borovskaya,Y.U.B., and Babazade, M.A., 1975, Determination of delG0f298K of synthetic jarosite and its sulfate analogues:  Geochem. Intl., 12, 115-121. (Jarosite)
+# 87kee/rup: Kee, R.J., Rupley, F.M., and Miller, J.A., 1987, The Chemkin thermodynamic database:  SNL Rep. SAND-87-8215, 92p. (Ice)
+# 78lan: http://dx.doi.org/10.1016/0016-7037(78)90001-7 (Bassetite, Ningyoite, Saleeite)
+# 80lan/her: http://dx.doi.org/10.1016/0016-7037(80)90226-4 (ThCl4)
+# 82mar/smi: Martell, A.E., and Smith, R.M., 1982, Critical Stability Constants, Vol. 5: First Supplement:  Plenum, New York, 5, 604p. (MgSO4(aq))
+# 74nau/ryz: Naumov, G.B., Ryzhenko, B.N., and Khodakovsky, I.L., 1974, Handbook of Thermodynamic Data:  U.S.G.S. WRD-74-001, 328p. (CoCl+, CoFe2O4, CoS, CoSO4:H2O, Delafossite, Ni2SiO4)
+# 76mac: http://dx.doi.org/10.1016/0010-938X(76)90066-4 (Mn+3)
+# 95pok/hel: http://dx.doi.org/10.2475/ajs.295.10.1255 (4 solutes, 4 solids)
+# 85rar 2: http://dx.doi.org/10.1021/cr00070a003 (9 europium solids)
+# 87rar 2: Rard, J.A., 1987, Update of the europium data base, October, 1987:  LLNL Internal Memo. (3 europium solids)
+# 87rua/sew: http://dx.doi.org/10.1016/0016-7037(87)90013-5 (HCl)
+# 82sar/bar: Sarkar, A.K., Barnes, M.W., and Roy, D.M., 1982, Longevity of borehole and shaft sealing materials: thermodynamic properties of cements and related phases applied to repository sealing:  ONWI Tech. Rep. ONWI-201, 52p. (16 solids)
+# 84sve: http://dx.doi.org/10.1016/0016-7037(84)90203-5 (Sphaerocobaltite)
+# 78vau/cra: Vaughan, D.J., and Craig, J.R., 1978, Mineral chemistry of metal sulfides: Cambridge Univ. Press, Cambridge, MA. (5 solids)
+# 78wol: Wolery, T.J., 1978, Some chemical aspects of hydrothermal processes at mid-oceanic ridges -- A theoretical study. I. Basalt-sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals:  Unpub. Ph.D. Diss., Northwestern Univ., Evaston, IL, 263p. (23 clays)
+# 87woo/gar: Woods, T.L., and Garrels, R.M., 1987, Thermodynamic values at low temperature for natural inorganic materials: An uncritical summary:  Oxford Univ. Press, Oxford. (Atacamite, Brochantite, Dioptase)
+#
+# Additional carbfix.dat references
+# D08: http://dx.doi.org/10.1186/1467-4866-9-10
+# DEW17: Deep Earth Water (DEW) spreadsheet http://www.dewcommunity.org
+# HP98: https://doi.org/10.1111/j.1525-1314.1998.00140.x
+# HP11: http://dx.doi.org/10.1111/j.1525-1314.2010.00923.x
+# Neu00: Neuhoff P.S., 2000, Thermodynamic Properties and Parageneses of Rock-Forming Zeolites. PhD Thesis. Stanford University.
+# SBS13: http://dx.doi.org/10.1016/j.gca.2013.04.023
+# SBS14: http://dx.doi.org/10.1016/j.gca.2014.04.008
+# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X
+# PB82: http://doi.org/10.1016/0016-7037(82)90056-4
+# P+96: http://dx.doi.org/10.1016/0016-7037(96)00123-8
+# SK95: http://doi.org/10.1016/0016-7037(95)00058-8
+# SS97: http://doi.org/10.1016/S0016-7037(97)00291-3
+# TS01: http://dx.doi.org/10.1016/S0016-7037(01)00705-0
+# Z+16: http://dx.doi.org/10.1016/j.cageo.2016.02.013
+#
+# Species have various valid temperature ranges, noted in the Range parameter. Currently, Phreeqc does not use this parameter, so it is up to the user to remain in the valid temperature range for all data used.
+
+# Example entry block:
+
+# Formation reaction from basis species 
+# 	-llnl_gamma	# ion size parameter in B-dot Debye-Huckel equation
+# 	log_k		# at 25C, 1 bar, used if no -delta_H or -analytic
+# 	-delta_H	# molar enthalpy of reaction, used if no -analytic
+# #	deltafH		# molar enthalpy of formation from reference compounds
+#	-analytic	b1 b2 b3 b4 b5 b6 # logK = b1 + b2*T + b3/T + b4*log(T) + b5/T2 + b6*T2
+# #	Range		Tmin-Tmax # of validity of -analytic
+#	-Vm		a1 a2 a3 a4 omega # See APP14, SH88 for equations
+# #	Extrapol	# extrapolation algorithm
+# #	Ref		# references
+#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
+
+# DATABASE STARTS BELOW
+#
+LLNL_AQUEOUS_MODEL_PARAMETERS
+-temperatures
+	 0.01	25   60  100
+	  150  200  250  300
+#debye huckel a (adh)
+-dh_a
+         0.4939    0.5114    0.5465    0.5995
+         0.6855    0.7994    0.9593    1.2180
+#debye huckel b (bdh)
+-dh_b
+         0.3253    0.3288    0.3346    0.3421
+         0.3525    0.3639    0.3766    0.3925
+-bdot
+         0.0374    0.0410    0.0438    0.0460
+         0.0470    0.0470    0.0340    0
+#cco2   (coefficients for the Drummond (1981) polynomial)
+-co2_coefs
+        -1.0312              0.0012806
+          255.9                 0.4445
+      -0.001606
+
+SOLUTION_MASTER_SPECIES
+
+#element	species        alk     gfw_formula	element_gfw
+
+Al	Al+3	0	Al	26.9815
+Alkalinity	HCO3-	1	Ca0.5(CO3)0.5	50.05
+B	B(OH)3	0	B	10.811
+B(3)	B(OH)3	0	B	-36.44179
+Ba	Ba+2	0	Ba	137.3270 
+C(-4)	CH4	0	CH4	-33.31051
+C(-3)	C2H6	0	C2H6	-30.54674
+C(-2)	C2H4	0	C2H4	-28.08539
+C	HCO3-	1	HCO3	12.011
+C(+2)	CO	0	C	-23.87691
+C(+4)	HCO3-	1	HCO3	-22.05727
+Ca	Ca+2	0	Ca	40.078
+Ce	Ce+3	0	Ce	140.115
+Ce(+2)	Ce+2	0	Ce
+Ce(+3)	Ce+3	0	Ce
+Ce(+4)	Ce+4	0	Ce
+Cl	Cl-	0	Cl	35.4527
+Cl(-1)	Cl-	0	Cl	-17.43358
+Cl(1)	ClO-	0	Cl	-16.11094
+Cl(3)	ClO2-	0	Cl	-14.87484
+Cl(5)	ClO3-	0	Cl	-13.71476
+Cl(7)	ClO4-	0	Cl	
+Co	Co+2	0	Co	58.9332
+Co(+2)	Co+2	0	Co	
+Co(+3)	Co+3	0	Co	
+Cr	CrO4-2	0	CrO4-2	51.9961
+Cr(+2)	Cr+2	0	Cr	
+Cr(+3)	Cr+3	0	Cr	
+Cr(+6)	CrO4-2	0	Cr	
+Cd		Cd+2	0	Cd	112.411
+Cu	Cu+2	0	Cu	63.546
+Cu(+1)	Cu+1	0	Cu	
+Cu(+2)	Cu+2	0	Cu	
+E	e-	0	0	0
+Eu	Eu+3	0	Eu	151.965
+Eu(+2)	Eu+2	0	Eu	
+Eu(+3)	Eu+3	0	Eu	
+F	F-	0	F	18.9984
+Fe	Fe+2	0	Fe	55.847
+Fe(+2)	Fe+2	0	Fe	
+Fe(+3)	Fe+3	-2	Fe	
+Gd	Gd+3	0	Gd	157.25
+Gd(+3)	Gd+3	0	Gd	
+H	H+	-1	H	1.0079
+H(0)	H2	0	H	
+H(+1)	H+	-1	0	
+K	K+	0	K	39.0983
+Li	Li+	0	Li	6.941
+Mg	Mg+2	0	Mg	24.305
+Mn	Mn+2	0	Mn	54.938
+Mn(+2)	Mn+2	0	Mn	
+Mn(+3)	Mn+3	0	Mn	
+Mn(+6)	MnO4-2	0	Mn	
+Mn(+7)	MnO4-	0	Mn	
+Mo	MoO4-2	0	Mo	95.94
+N	NH3	1	N	14.0067
+N(-3)	NH3	1	N	
+N(0)	N2	0	N	
+N(+3)	NO2-	0	N	
+N(+5)	NO3-	0	N	
+Na	Na+	0	Na	22.9898
+Ni	Ni+2	0	Ni	58.69
+O	H2O	0	O	15.994
+O(-2)	H2O	0	0	
+O(0)	O2	0	O	
+P	HPO4-2	2	P	30.9738
+P(5)	HPO4-2	2	P	
+Pb      Pb+2    0	Pb	207.20 
+Pb(+2)	Pb+2	0	Pb
+Pb(+4)	Pb+4	0	Pb
+S	SO4-2	0	SO4	32.066
+S(-2)	HS-	1	S	
+S(+2)	S2O3-2	0	S	
+S(+3)	S2O4-2	0	S	
+S(+4)	SO3-2	0	S	
+S(+5)	S2O5-2	0	S	
+S(+6)	SO4-2	0	SO4	
+S(+7)	S2O8-2	0	S	
+S(+8)	HSO5-	0	S	
+Sc	Sc+3	0	Sc	44.9559
+Si	SiO2	0	SiO2	28.0855
+Sm	Sm+3	0	Sm	150.36
+Sm(+2)	Sm+2	0	Sm	
+Sm(+3)	Sm+3	0	Sm	
+Sr      Sr+2    0.0     Sr      87.62
+Th	Th+4	0	Th	232.0381
+Ti	Ti(OH)4	0	Ti	47.88
+U	UO2+2	0	U	238.0289
+U(+3)	U+3	0	U	
+U(+4)	U+4	0	U	
+U(+5)	UO2+	0	U	
+U(+6)	UO2+2	0	U	
+Zn	Zn+2	0	Zn	65.39
+
+
+
+SOLUTION_SPECIES
+
+#------------------
+# 31 basis species
+#------------------
+
+Al+3 = Al+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-128.681	kcal/mol
+	-Vm   		-2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86
+
+B(OH)3 = B(OH)3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-256.82 	kcal/mol
+	-Vm 		7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89
+
+Ca+2 = Ca+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-129.8		kcal/mol
+	-Vm  		-0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14
+
+Cd+2 =  Cd+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
+#	Enthalpy of formation:	-18.14 kcal/mol
+
+Cl- = Cl- 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-39.933		kcal/mol
+	-Vm		4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14
+
+Co+2 = Co+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-13.9		kcal/mol
+	-Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97
+
+CrO4-2 = CrO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-210.6		kcal/mol
+	-Vm		5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97
+
+Cu+2 = Cu+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		15.7		kcal/mol
+	-Vm		-1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14
+
+e- = e-
+
+Eu+3 = Eu+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-144.7		kcal/mol
+	-Vm		-3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88
+
+F- =  F- 
+	-llnl_gamma	3.5000
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-80.15 kcal/mol
+	-Vm		0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # APP14
+
+Fe+2 = Fe+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-22.05		kcal/mol
+	-Vm		-0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14
+
+Gd+3 = Gd+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.2		kcal/mol
+	-Vm		-2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88
+
+H+ = H+ 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-0		kJ/mol
+
+HCO3- = HCO3- 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.898	kcal/mol
+	-Vm		7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88
+
+HPO4-2 = HPO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-308.815	kcal/mol
+	-Vm		3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88
+
+K+ = K+ 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-60.27		kcal/mol
+	-Vm		3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14
+
+Li+ = Li+ 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-66.552		kcal/mol
+	-Vm		-0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68 
+
+Mg+2 = Mg+2 
+	-llnl_gamma	8	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-111.367	kcal/mol
+	-Vm		-1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14
+
+Mn+2 = Mn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-52.724		kcal/mol
+	-Vm		-1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14
+
+MoO4-2 = MoO4-2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-238.5		kcal/mol
+	-Vm		6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97
+
+NH3 = NH3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-19.44		kcal/mol
+	-Vm		5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89
+
+Na+ = Na+ 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-57.433		kcal/mol
+	-Vm		2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14
+
+Ni+2 = Ni+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-12.9		kcal/mol
+	-Vm		-1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88
+
+H2O = H2O 
+	-llnl_gamma	3	
+        log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-68.317		kcal/mol
+
+SO4-2 = SO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-217.4		kcal/mol
+	-Vm		8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14
+
+Sc+3 = Sc+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-146.8		kcal/mol
+	-Vm		-2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97
+
+SiO2 = SiO2 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-209.775	kcal/mol
+	-Vm		1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89
+
+Sm+3 = Sm+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-165.2		kcal/mol
+	-Vm		-3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88
+
+Th+4 = Th+4 
+	-llnl_gamma	11	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-183.8		kcal/mol
+	-Vm		-4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97
+
+Ti(OH)4 = Ti(OH)4 
+	-llnl_gamma	3	
+	log_k		0
+#	deltafH		-0		kcal/mol
+	-Vm		7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01
+
+UO2+2 = UO2+2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-1019		kJ/mol
+	-Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97
+
+Zn+2 = Zn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-36.66		kcal/mol
+	-Vm		-1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14
+
+Ba+2 =  Ba+2 
+	-llnl_gamma	5.0	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
+#	Enthalpy of formation:	-128.5 kcal/mol
+
+Ce+3 =  Ce+3 
+	-llnl_gamma	9	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
+#	Enthalpy of formation:	-167.4 kcal/mol
+
+Pb+2 =  Pb+2 
+	-llnl_gamma	4.5	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
+#	Enthalpy of formation:	0.22 kcal/mol
+
+Sr+2 =  Sr+2 
+	-llnl_gamma	5.0	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
+#	Enthalpy of formation:	-131.67 kcal/mol
+#-------------------
+# 40 Redox couples
+#-------------------
+
+2H2O = O2 + 4H+ + 4e-  
+	-CO2_llnl_gamma
+	log_k		-85.9951
+	-delta_H	559.543		kJ/mol
+#	deltafH		-2.9		kcal/mol
+	-analytic	38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
+#	Range		0-350
+	-Vm		5.7889 6.3536 3.2528 -3.0417 -0.3943
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ = HS- + 2 O2  
+	-llnl_gamma	3.5    
+	log_k		-138.3169
+	-delta_H	869.226		kJ/mol
+#	deltafH		-3.85		kcal/mol
+	-analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
+#	Range		0-350
+	-Vm		5.0119 4.9799 3.4765 -2.9849 1.44100
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+.5 O2 + 2 HS- = S2-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		33.2673
+#	deltafH		-0		kcal/mol
+	-analytic	0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
+	-mass_balance	S(-2)2
+#	Range		0-350
+	-Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2  = S2O3-2 + O2 + H2O
+	-llnl_gamma	4.0    
+	log_k		-40.2906
+#	deltafH		-0		kcal/mol
+	-analytic	0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
+#	Range		0-350
+	-Vm		6.6685 12.4951 -7.7281 -3.2955 2.96940
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+H+ + HCO3- + H2O = CH4 + 2 O2
+	-llnl_gamma	3.0    
+	log_k		-144.1412
+	-delta_H	863.599		kJ/mol
+#	deltafH		-21.01		kcal/mol
+	-analytic	-0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
+#	Range		0-350
+	-Vm		6.7617 8.7279 2.3212 -3.1397 -0.31790
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
+	-llnl_gamma	3.0    
+	log_k		-228.6072
+#	deltafH		-0		kcal/mol
+	#analytic	-0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
+	-analytic	-491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
+#	Range		0-350
+	-Vm		8.75 13.1051 1.6258 -3.3207 -0.06270
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- = C2H4 + 3 O2
+	-llnl_gamma	3.0
+	log_k		-254.5034
+	-delta_H	1446.6		kJ/mol
+#	deltafH		24.65		kcal/mol
+	#analytic	-0.30329e2 0.71187e-1 -0.73140e5
+	-analytic	6e-2 3.60e-2 -7.17e4
+#	Range		0-350
+	-Vm		7.856 12.6391 -1.8737 -3.3014 -0.4
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CO + H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-41.7002
+	-delta_H	277.069		kJ/mol
+#	deltafH		-28.91		kcal/mol
+	-analytic	1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
+#	Range		0-350
+	-Vm		6.2373 7.4498 2.8184 -3.0869 -0.37150
+#	Extrapol	supcrt92
+#	Ref		SM93
+ 
+Cl- + 0.5 O2 = ClO-   
+	-llnl_gamma	4.0    
+	log_k		-15.1014
+	-delta_H	66.0361		kJ/mol
+#	deltafH		-25.6		kcal/mol
+	-analytic	6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
+#	Range		0-350
+	-Vm		2.3599 -2.0164 6.5356 -2.6955 1.47670
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+O2 + Cl- = ClO2-   
+	-llnl_gamma	4.0    
+	log_k		-23.108
+	-delta_H	112.688		kJ/mol
+#	deltafH		-15.9		kcal/mol
+	-analytic	3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
+#	Range		0-350
+	-Vm		5.2163 4.958 3.7949 -2.9839 1.2637
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+1.5 O2 + Cl- = ClO3-   
+	-llnl_gamma	3.5    
+	log_k		-17.2608
+	-delta_H	81.3077		kJ/mol
+#	deltafH		-24.85		kcal/mol
+	-analytic	2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
+#	Range		0-350
+	-Vm		7.1665 9.7172 1.9307 -3.1807 1.0418
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + Cl- = ClO4-   
+	-llnl_gamma	3.5    
+	log_k		-15.7091
+	-delta_H	62.0194		kJ/mol
+#	deltafH		-30.91		kcal/mol
+	-analytic	7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
+#	Range		0-350
+	-Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-11.4845
+	-delta_H	10.3198		kJ/mol
+#	deltafH		22		kcal/mol
+	-analytic	-2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
+#	Range		0-350
+	-Vm		-2.8678 -14.7777 11.5439 -2.1680 2.6901
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 
+	-llnl_gamma	4.5    
+	log_k		-21.6373
+	-delta_H	153.829		kJ/mol
+#	deltafH		-34.3		kcal/mol
+	-analytic	6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
+#	Range		0-350
+	-Vm		-0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C 
+
+5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 
+	-llnl_gamma	9.0    
+	log_k		8.3842
+	-delta_H	-81.0336	kJ/mol
+#	deltafH		-57		kcal/mol
+	-analytic	5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
+#	Range		0-350
+	-Vm		-2.7824 -14.5709 11.4661 -2.1765 2.7403
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
+ 
+Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-18.7704
+	-delta_H	145.877		kJ/mol
+#	deltafH		17.132		kcal/mol
+	-analytic	3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
+#	Range		0-350
+	-Vm		0.807 -5.804 8.0165 -2.5390 0.40460
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-27.5115
+	-delta_H	217.708		kJ/mol
+#	deltafH		-126.1		kcal/mol
+	-analytic	3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
+#	Range		0-350
+	-Vm		0.0407 -7.6776 8.7578 -2.4615 1.0929
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O 
+	-llnl_gamma	9.0    
+	log_k		8.4899
+	-delta_H	-97.209		kJ/mol
+#	deltafH		-11.85		kcal/mol
+	-analytic	-1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
+#	Range		0-350
+	-Vm		-2.4256 -13.6961 11.1141 -2.2127 2.58120
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+H2O = H2 + 0.5 O2   
+	-CO2_llnl_gamma
+	log_k		-46.1066
+	-delta_H	275.588		kJ/mol
+#	deltafH		-1		kcal/mol
+	-analytic	6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
+#	Range		0-350
+	-Vm		5.1427 4.7758 3.8729 -2.9764 -0.209
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ + 0.5 O2 = HSO5-  
+	-llnl_gamma	4.0    
+	log_k		-17.2865
+	-delta_H	140.038		kJ/mol
+#	deltafH		-185.38		kcal/mol
+	-analytic	5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
+#	Range		0-350
+	-Vm		8.9391 14.043 0.2349 -3.3594 0.86110
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-4.0811
+	-delta_H	-65.2892	kJ/mol
+#	deltafH		-34.895		kcal/mol
+	-analytic	3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
+#	Range		0-350
+	-Vm		-2.932 -14.934 11.6041 -2.1615 2.70250
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76mac match
+
+2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ 
+	-llnl_gamma	4.0    
+	log_k		-32.4146
+	-delta_H	151.703		kJ/mol
+#	deltafH		-156		kcal/mol
+	-analytic	-1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
+#	Range		0-350
+	-Vm		5.6596 6.0368 3.3786 -3.0285 2.98030
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 NH3 + 1.5 O2 = N2 + 3 H2O  
+	-llnl_gamma	3.0    
+	log_k		116.4609
+	-delta_H	-687.08		kJ/mol
+#	deltafH		-2.495		kcal/mol
+	-analytic	-8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
+#	Range		0-350
+	-Vm		6.2046 7.3685 2.8539 -3.0836 -0.34680
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+1.5 O2 + NH3 = NO2- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		+46.8653
+	-delta_H	-290.901	kJ/mol
+#	deltafH		-25		kcal/mol
+	-analytic	-1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
+#	Range		0-350
+	-Vm		5.5864 5.859 3.4472 -3.0212 1.18470
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + NH3 = NO3- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		62.1001
+	-delta_H	-387.045	kJ/mol
+#	deltafH		-49.429		kcal/mol
+	-analytic	-3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
+#	Range		0-350
+	-Vm		7.3161 6.7824 -4.6838 -3.0594 1.09770
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
+	-llnl_gamma	5.0    
+	log_k		-25.2076
+#	deltafH		-0		kcal/mol
+	-analytic	-2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
+#	Range		0-350
+	-Vm		6.6784 8.528 2.3917 -3.1314 2.87720
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		41.8289
+#	deltafH		-0		kcal/mol
+	-analytic	0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
+#	Range		0-350
+	-Vm		8.2257 12.3054 0.9087 -3.2876 2.75870
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		70.7489
+#	deltafH		-0		kcal/mol
+	-analytic	0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
+#	Range		0-350
+	-Vm		13.3622 24.8454 -4.0153 -3.8061 2.32810
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+O2 + H+ + 3 HS- = S3-2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		79.3915
+#	deltafH		-0		kcal/mol
+	-analytic	-0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
+	-mass_balance	S(-2)3
+#	Range		0-350
+	-Vm		6.7661 8.7396 2.315 -3.1403 2.97490
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		-6.2316
+#	deltafH		-0		kcal/mol
+	-analytic	0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
+#	Range		0-350
+	-Vm		8.4155 12.7691 0.7268 -3.3068 2.71310
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		125.2958
+#	deltafH		-0		kcal/mol
+	-analytic	0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
+	-mass_balance	S(-2)4
+#	Range		0-350
+	-Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+4 SO3-2 + 6 H+  = S4O6-2 + 1.5 O2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		-38.3859
+#	deltafH		-0		kcal/mol
+	-analytic	0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
+#	Range		0-350
+	-Vm		10.2672 17.2902 -1.0502 -3.4937 2.28050
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		170.9802
+#	deltafH		-0		kcal/mol
+	-analytic	0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
+	-mass_balance	S(-2)5
+#	Range		0-350
+	-Vm		9.1107 14.4645 0.0649 -3.3770 2.70510
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		-99.4206
+#	deltafH		-0		kcal/mol
+	-analytic	0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
+#	Range		0-350
+	-Vm		8.8725 13.8806 0.2986 -3.3527 2.60760
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
+	-llnl_gamma	3.5    
+	log_k		3.0070
+#	deltafH		-0		kcal/mol
+	-analytic	0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
+#	Range		0-350
+	-Vm		7.0244 9.3687 2.0708 -3.1662 1.10730
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+SO4-2 = SO3-2 + 0.5 O2   
+	-llnl_gamma	4.5    
+	log_k		-46.6244
+	-delta_H	267.985		kJ/mol
+#	deltafH		-151.9		kcal/mol
+	-analytic	-1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
+#	Range		0-350
+	-Vm		2.4632 -1.7691 6.4494 -2.7058 3.321
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-47.9624
+	-delta_H	326.911		kJ/mol
+#	deltafH		-120.5		kcal/mol
+	-analytic	-1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
+#	Range		0-350
+	-Vm		-0.0353 -7.8592 8.8194 -2.454 1.1512
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-64.8028
+	-delta_H	377.881		kJ/mol
+#	deltafH		-489.1		kJ/mol
+	-analytic	2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
+#	Range		0-350
+	-Vm		-2.8438 -14.722 11.528 -2.1703 2.27520
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 
+	-llnl_gamma	5.5    
+	log_k		-33.9491
+	-delta_H	135.895		kJ/mol
+#	deltafH		-591.2		kJ/mol
+	-analytic	4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
+#	Range		0-350
+	-Vm		-4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-20.0169
+	-delta_H	133.759		kJ/mol
+#	deltafH		-1025.13	kJ/mol
+	-analytic	8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
+#	Range		0-350
+	-Vm		3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+#---------------------------
+# 156 other aqueous species
+#---------------------------
+
+2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-5.595
+	-delta_H	-46.8566	kJ/mol
+#	deltafH		-372.08		kcal/mol
+	-analytic	-4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
+#	Range		0-350
+	-Vm		8.9971 14.1844 0.1805 -3.3653 1.39180
+#	Extrapol	supcrt92
+#	Ref		SK93, differ by 2.2 log K at 0C, 1 log K at 300C
+ 
+4 H2O + Al+3 = Al(OH)4- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-22.8833
+	-delta_H	180.899		kJ/mol
+#	deltafH		-222.079	kcal/mol
+	-analytic	1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
+#	Range		0-350
+	-Vm		3.7221 3.9954 -1.5879 -2.9441 1.74180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+H2O + Al+3 = Al(OH)+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-4.9571
+	-delta_H	49.798		kJ/mol
+#	deltafH		-185.096	kcal/mol
+	-analytic	-2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
+#	Range		0-350
+	-Vm		-1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+B(OH)3 = BO2- + H+ + H2O
+	-llnl_gamma	4.0    
+	log_k		-9.2449
+	-delta_H	16.3302		kJ/mol
+#	deltafH		-184.6		kcal/mol
+	-analytic	-1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
+#	Range		0-350
+	-Vm		-2.2428 -6.2065 -6.3216 -2.5224 1.75950
+#	Extrapol	supcrt92
+#	Ref		SH88
+ 
+HCO3- + H+ = CO2 + H2O
+	-CO2_llnl_gamma
+	log_k		6.3447
+	-delta_H	-9.7027		kJ/mol
+#	deltafH		-98.9		kcal/mol
+	-analytic	-1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
+#	Range		0-350
+	-Vm		6.2466 7.4711 2.8136 -3.0879 -0.1934
+#	Extrapol	supcrt92
+#	Ref		SSW01, SHS89
+
+HCO3- = CO3-2 + H+
+	-llnl_gamma	4.5    
+	log_k		-10.3288
+	-delta_H	14.6984		kJ/mol
+#	deltafH		-161.385	kcal/mol
+	-analytic	-6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
+#	Range		0-350
+	-Vm		2.8524 -3.9844 6.4142 -2.6143 3.39140
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + HCO3- = CN- + 2 H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-56.0505
+	-delta_H	344.151		kJ/mol
+#	deltafH		36		kcal/mol
+	-analytic	-1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
+#	Range		0-350
+	-Vm		5.4714 5.5813 3.5497 -3.0096 1.29000
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+HCO3- + H+ = HCOOH + 0.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-39.0524
+	-analytic	-16.6 0.041 -10000 0 0 -1.205e-5
+#	Range		0-350
+	-Vm		6.3957 7.7713 2.8318 -3.1002 -0.33
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+HCOOH = HCOO- + H+
+	-llnl_gamma	3.5		# EQ3/6 data0.sup
+	log_k		-3.752994
+	-analytic	-6.456 0.01694 0 0 0 -2.71e-5
+#	Range		0-350
+	-Vm		5.7842 4.7242 7.363 -2.9742 1.3003
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 HCO3- + 2 H+ = CH3COOH + 2 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-141.99219
+	-analytic	-6.037 0.0104 -42362 0 0 3.604e-5
+#	Range		0-350
+	-Vm		11.6198 5.218 2.5088 -2.9946 -0.15
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+CH3COOH = CH3COO- + H+ 
+	-llnl_gamma	4.5         
+	log_k		-4.7572
+#	deltafH		-0		kcal/mol
+	-analytic	-0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
+#	Range		0-350
+	-Vm		7.7525 8.6996 7.5825 -3.1385 1.31820
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		6.631821
+	-analytic	15.98 -4.41e-2 0 0 0 4.25e-5
+#	Range		0-350
+	-Vm		7.7158 7.3031 10.9353 -3.0808 -0.3006
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
+	-llnl_gamma	3.0		# thermo.com.V8.R6+.tdat
+	log_k		-363.088
+	-analytic	-8.04e2 1.877 0 0 0 -1.33e-3
+#	Range		0-350
+	-Vm		10.768 17.6785 -0.5878 -3.5097 -0.165
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H+ + HCO3- + H2O = CH3OH + 1.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-117.9046
+	-analytic	-262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
+#	Range		0-350
+	-Vm		6.9383 5.5146 11.4018 -3.0069 -0.14760
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-224.1415
+	-analytic	-423.8 0.989 -10003 0 0 -6.93e-4
+#	Range		0-350
+	-Vm		9.2333 9.9581 12.1445 -3.1906 -0.2037
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CH2O + O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-86.57248
+	-analytic	-17.3 0.0404 -24072 0 0 -6.57e-6
+#	Range		0-350
+	-Vm		5.3113 5.3139 3.3901 -2.9986 -0.3984
+#	Extrapol	supcrt92
+#	Ref		SS93
+
+2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.3814
+	-delta_H	-2.7196		kJ/mol
+#	deltafH		-362.65		kcal/mol
+	-analytic	-1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
+#	Range		0-350
+	-Vm		12.9911 23.9379 -3.6556 -3.7685 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Ca+2 + CH3COOH = CaCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.8263
+	-delta_H	1.17152		kJ/mol
+#	deltafH		-245.62		kcal/mol
+	-analytic	-8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
+#	Range		0-350
+	-Vm		5.9002 6.6232 3.1505 -3.0527 0.36360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Ca+2 = CaCO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-7.0017
+	-delta_H	30.5767		kJ/mol
+#	deltafH		-287.39		kcal/mol
+	-analytic	2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
+#	Range		0-350
+	-Vm		-0.3907 -8.7325 9.1753 -2.4179 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Cl- + Ca+2 = CaCl+
+	-llnl_gamma	4.0    
+	log_k		-0.6956
+	-delta_H	2.02087		kJ/mol
+#	deltafH		-169.25		kcal/mol
+	-analytic	8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
+#	Range		0-350
+	-Vm		2.7148 -1.1497 6.1949 -2.7314 0.48620
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Ca+2 = CaCl2
+	-llnl_gamma	3.0    
+	log_k		-0.6436
+	-delta_H	-5.8325		kJ/mol
+#	deltafH		-211.06		kcal/mol
+	-analytic	1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
+#	Range		0-350
+	-Vm		6.2187 7.4058 2.8322 -3.0851 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+SO4-2 + Ca+2 = CaSO4
+	-llnl_gamma	3.0    
+	log_k		2.1111
+	-delta_H	5.4392		kJ/mol
+#	deltafH		-345.9		kcal/mol
+	-analytic	2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
+#	Range		0-350
+	-Vm		2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1468
+	-delta_H	-22.4262	kJ/mol
+#	deltafH		-251.46		kcal/mol
+	-analytic	-2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
+#	Range		0-350
+	-Vm		11.9141 21.312 -2.6321 -3.6599 3.49629
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.281
+	-delta_H	-48.2415	kJ/mol
+#	deltafH		-373.73		kcal/mol
+	-analytic	6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
+#	Range		0-350
+	-Vm		20.3474 41.8989 -10.7127 -4.5110 1.47140
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + CH3COOH = CoCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.2985
+	-delta_H	-8.70272	kJ/mol
+#	deltafH		-132.08		kcal/mol
+	-analytic	-5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
+#	Range		0-350
+	-Vm		5.0294 4.4992 3.9806 -2.9649 0.64720
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + Cl- = CoCl+
+	-llnl_gamma	4.0    
+	log_k		0.1547
+	-delta_H	1.71962		kJ/mol
+#	deltafH		-53.422		kcal/mol
+	-analytic	1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
+#	Range		0-350
+	-Vm	1.8028 -3.3766 7.0702 -2.6394 0.71910
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 74nau/ryz match
+ 
+2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		14.5192
+	-delta_H	-13.8783	kJ/mol
+#	deltafH		-356.2		kcal/mol
+	-analytic	1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
+#	Range		0-350
+	-Vm		12.4303 22.568 -3.1161 -3.7119 2.12160
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-5.8824
+	-delta_H	-25.899		kJ/mol
+#	deltafH		-222.69		kcal/mol
+	-analytic	-2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
+#	Range		0-350
+	-Vm		11.8801 21.2264 -2.5925 -3.6564 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2139
+	-delta_H	-19.5476	kJ/mol
+#	deltafH		-219.74		kcal/mol
+	-analytic	-3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
+#	Range		0-350
+	-Vm		15.0715 29.0205 -5.6592 -3.9786 1.06910
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-9.3788
+	-delta_H	-53.2205	kJ/mol
+#	deltafH		-345.32		kcal/mol
+	-analytic	3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
+#	Range		0-350
+	-Vm		20.2654 41.7019 -10.6422 -4.5029 1.3408
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Cu+ + CH3COOH = CuCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4274
+	-delta_H	-4.19237	kJ/mol
+#	deltafH		-99.97		kcal/mol
+	-analytic	6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
+#	Range		0-350
+	-Vm		7.3009 10.0483 1.7946 -3.1943 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Cu+2 + CH3COOH = CuCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.5252
+	-delta_H	-11.3805	kJ/mol
+#	deltafH		-103.12		kcal/mol
+	-analytic	-1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
+#	Range		0-350
+	-Vm		4.9722 4.362 4.029 -2.9592 0.56810
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.6912
+	-delta_H	-28.3257	kJ/mol
+#	deltafH		-383.67		kcal/mol
+	-analytic	-2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
+#	Range		0-350
+	-Vm		9.3029 14.9307 -0.1123 -3.3961 0.7384
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.9824
+	-delta_H	-47.3629	kJ/mol
+#	deltafH		-504.32		kcal/mol
+	-analytic	-3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
+#	Range		0-350
+	-Vm		16.6413 32.8512 -7.1605 -4.137 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Eu+3 + CH3COOH = EuCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9571
+	-delta_H	-14.5603	kJ/mol
+#	deltafH		-264.28		kcal/mol
+	-analytic	-1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
+#	Range		0-350
+	-Vm		2.75 -1.0666 6.169 -2.7348 1.5269
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Eu+3 = EuCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.4057
+	-delta_H	90.7844		kJ/mol
+#	deltafH		-287.9		kcal/mol # OBIGT: -311.27 kcal/mol HSS95
+	-analytic	2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
+#	Range		0-350
+	-Vm		-0.9842 -10.1779 9.7343 -2.3581 1.2465
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+2 + Cl- = EuCl+
+	-llnl_gamma	4.0    
+	log_k		0.3819
+	-delta_H	8.50607		kJ/mol
+#	deltafH		-164		kcal/mol
+	-analytic	6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
+#	Range		0-350
+	-Vm		5.1742 4.8499 3.8487 -2.9794 0.2557
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+3 + Cl- = EuCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	13.9453		kJ/mol
+#	deltafH		-181.3		kcal/mol
+	-analytic	7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
+#	Range		0-350
+	-Vm		-0.3777 -8.6968 9.1514 -2.4194 1.4671
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Eu+3 = EuCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	18.6857		kJ/mol
+#	deltafH		-220.1		kcal/mol # OBIGT: -204.6 kcal/mol HSS95
+	-analytic	2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
+#	Range		0-350
+	-Vm		9.1152 14.474 0.0641 -3.3773 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+3 = EuCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	11.2926		kJ/mol
+#	deltafH		-261.8		kcal/mol
+	-analytic	4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
+#	Range		0-350
+	-Vm		6.2132 7.3881 2.8493 -3.0843 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+2 = EuCl3-
+	-llnl_gamma	4.0    
+	log_k		2.0253
+	-delta_H	-3.76978	kJ/mol
+#	deltafH		-246.8		kcal/mol
+	-analytic	1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
+#	Range		0-350
+	-Vm		13.946 26.2721 -4.579 -3.865 0.9527
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+3 = EuCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-9.90771	kJ/mol
+#	deltafH		-306.8		kcal/mol
+	-analytic	4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
+#	Range		0-350
+	-Vm		10.9946 19.066 -1.7473 -3.5671 1.787
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+2 = EuCl4-2
+	-llnl_gamma	4.0    
+	log_k		2.8470
+	-delta_H	-19.9493	kJ/mol
+#	deltafH		-290.6		kcal/mol
+	-analytic	-1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
+#	Range		0-350
+	-Vm		19.473 39.7656 -9.8784 -4.4228 2.4755
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Eu+3 = EuH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-17.0916	kJ/mol
+#	deltafH		-457.6		kcal/mol
+	-analytic	1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
+#	Range		0-350
+	-Vm		1.4946 -4.1236 7.3517 -2.6084 1.5372
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Eu+3 = EuHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6258
+	-delta_H	8.77803		kJ/mol
+#	deltafH		-307.5		kcal/mol
+	-analytic	3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
+#	Range		0-350
+	-Vm		0.4928 -6.572 8.3198 -2.5072 1.286
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+NO3- + Eu+3 = EuNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8745
+	-delta_H	-32.0955	kJ/mol
+#	deltafH		-201.8		kcal/mol
+	-analytic	1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
+#	Range		0-350
+	-Vm		1.2198 -4.7951 7.6178 -2.5807 1.6556
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Eu+3 = EuO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	110.947		kJ/mol
+#	deltafH		-186.5		kcal/mol # OBIGT: -177.81 kcal/mol HSS95
+	-analytic	1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
+#	Range		0-350
+	-Vm		2.7458 -1.0743 6.1663 -2.7345 0.4322
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.5066
+	-delta_H	281.307		kJ/mol
+#	deltafH		-214.1		kcal/mol # OBIGT: -219.06 kcal/mol HSS95
+	-analytic	7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
+#	Range		0-350
+	-Vm		4.8468 4.0541 4.1548 -2.9465 1.1424
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.4173
+	-delta_H	222.313		kJ/mol
+#	deltafH		-228.2		kcal/mol
+	-analytic	3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
+#	Range		0-350
+	-Vm		4.8064 3.954 4.1968 -2.9424 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+H2O + Eu+3 = EuOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	78.0065		kJ/mol
+#	deltafH		-194.373	kcal/mol
+	-analytic	6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
+#	Range		0-350
+	-Vm		2.6569 -1.2969 6.2659 -2.7253 1.1815
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Eu+3 = EuSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	62.3416		kJ/mol
+#	deltafH		-347.2		kcal/mol # OBIGT: -357.2 kcal/mol HSS95
+	-analytic	3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
+#	Range		0-350
+	-Vm		1.4399 -4.2627 7.4184 -2.6027 0.779
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.0295
+	-delta_H	-20.2924	kJ/mol
+#	deltafH		-259.1		kcal/mol
+	-analytic	-2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
+#	Range		0-350
+	-Vm		12.1698 21.937 -2.8791 -3.6858 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Fe+2 + CH3COOH = FeCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4671
+	-delta_H	-3.80744	kJ/mol
+#	deltafH		-139.06		kcal/mol
+	-analytic	-1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
+#	Range		0-350
+	-Vm		5.2246 4.9785 3.7863 -2.9848 0.57560
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+Fe+2 + Cl- = FeCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1605
+	-delta_H	3.02503		kJ/mol
+#	deltafH		-61.26		kcal/mol
+	-analytic	8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
+#	Range		0-350
+	-Vm		2.1468 -2.5367 6.7401 -2.6741 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Fe+3 + Cl- = FeCl+2
+	-llnl_gamma	4.5    
+	log_k		-0.8108
+	-delta_H	36.6421		kJ/mol
+#	deltafH		-180.018	kJ/mol
+	-analytic	1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
+#	Range		0-350
+	-Vm		-0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Fe+2 = FeCl2
+	-llnl_gamma	3.0    
+	log_k		-2.4541
+	-delta_H	6.46846		kJ/mol
+#	deltafH		-100.37		kcal/mol
+	-analytic	1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
+#	Range		0-350
+	-Vm		5.5057 5.665 3.5164 -3.0131 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
+ 
+H2O + Fe+2 = FeOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-9.5
+	-analytic	1.706e-1 0 -2.883e3
+#	Range		0-350
+	-Vm		-0.2561 -8.4039 9.0457 -2.4315 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+03,08 match
+ 
+H2O + Fe+3 = FeOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.19
+#	deltafH		-0		kcal/mol
+	-analytic	5.300 0 -2.272e3
+#	Range		0-350
+	-Vm		-1.1562 -10.6009 9.9077 -2.3407 1.43820
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+08 match
+ 
+2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.9625
+	-delta_H	-22.3426	kJ/mol
+#	deltafH		-401.74		kcal/mol
+	-analytic	-4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
+#	Range		0-350
+	-Vm		9.4165 15.2134 -0.2342 -3.4078 0.6223
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-8.3489
+	-delta_H	-37.9907	kJ/mol
+#	deltafH		-521.58		kcal/mol
+	-analytic	-8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
+#	Range		0-350
+	-Vm		16.8116 33.2662 -7.3215 -4.1541 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+  
+Gd+3 + CH3COOH = GdCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.1037
+	-delta_H	-11.7152	kJ/mol
+#	deltafH		-283.1		kcal/mol
+	-analytic	-1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
+#	Range		0-350
+	-Vm		2.8605 -0.7945 6.0567 -2.7461 1.4477
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Gd+3 = GdCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.9476		kJ/mol
+#	deltafH		-307.6		kcal/mol # OBIGT: -330.22 kcal/mol HSS95
+	-analytic	2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
+#	Range		0-350
+	-Vm		-0.953 -10.1036 9.7095 -2.3612 1.1729
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Gd+3 + Cl- = GdCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.7821		kJ/mol
+#	deltafH		-200.6		kcal/mol
+	-analytic	8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
+#	Range		0-350
+	-Vm		-0.263 -8.417 9.0425 -2.4309 1.4006
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Gd+3 = GdCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	21.1961		kJ/mol
+#	deltafH		-239		kcal/mol
+	-analytic	2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
+#	Range		0-350
+	-Vm		2.8492 -0.8272 6.0803 -2.7447 0.6305
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Gd+3 = GdCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	15.895		kJ/mol
+#	deltafH		-280.2		kcal/mol
+	-analytic	4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
+#	Range		0-350
+	-Vm		6.3836 7.8028 2.6888 -3.1015 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Gd+3 = GdCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-1.53971	kJ/mol
+#	deltafH		-324.3		kcal/mol
+	-analytic	4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
+#	Range		0-350
+	-Vm		11.1317 19.3995 -1.8761 -3.5809 1.631
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Gd+3 = GdH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-14.9996	kJ/mol
+#	deltafH		-476.6		kcal/mol
+	-analytic	1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
+#	Range		0-350
+	-Vm		1.6048 -3.8632 7.2686 -2.6192 1.4574
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Gd+3 = GdHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6991
+	-delta_H	10.0332		kJ/mol
+#	deltafH		-326.7		kcal/mol
+	-analytic	4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
+#	Range		0-350
+	-Vm		0.6026 -6.3043 8.2153 -2.5183 1.2048
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+NO3- + Gd+3 = GdNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.4347
+	-delta_H	-25.8195	kJ/mol
+#	deltafH		-219.8		kcal/mol
+	-analytic	2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
+#	Range		0-350
+	-Vm		1.3205 -4.5535 7.5323 -2.5907 1.5475
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	113.039		kJ/mol
+#	deltafH		-205.5		kcal/mol # OBIGT: -196.63 kcal/mol HSS95
+	-analytic	2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
+#	Range		0-350
+	-Vm		2.8425 -0.8409 6.0801 -2.7441 0.3539
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.4333
+	-delta_H	283.817		kJ/mol
+#	deltafH		-233		kcal/mol # OBIGT: -237.73 kcal/mol HSS95
+	-analytic	1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
+#	Range		0-350
+	-Vm		5.0344 4.5111 3.9769 -2.9654 1.0495 -1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.2707
+	-delta_H	224.405		kJ/mol
+#	deltafH		-247.2		kcal/mol
+	-analytic	3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
+#	Range		0-350
+	-Vm		5.0117 4.4582 3.9917 -2.9632 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	79.9855		kJ/mol
+#	deltafH		-213.4		kcal/mol # OBIGT: 212.9 kcal/mol HSS95
+	-analytic	8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
+#	Range		0-350
+	-Vm		2.7389 -1.0936 6.1786 -2.7337 1.1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Gd+3 = GdSO4+
+	-llnl_gamma	4.0    
+	log_k		-3.687
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-376.8		kcal/mol
+	-analytic	3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
+	#analytic	3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
+#	Range		0-350
+	-Vm		1.4776 -4.1705 7.3822 -2.6065 0.7287
+#	Extrapol	supcrt92
+#	Ref		HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
+ 
+2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		12.0709
+	-delta_H	19.7192		kJ/mol
+#	deltafH		-544.6		kcal/mol
+	-analytic	1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
+#	Range		0-350
+	-Vm		9.0963 14.4299 0.076 -3.3754 2.62180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+HPO4-2 + H+ = H2PO4-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	-4.20492	kJ/mol
+#	deltafH		-309.82		kcal/mol
+	-analytic	8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
+#	Range		0-350
+	-Vm		6.4875 8.0594 2.5823 -3.1122 1.3003
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+3 H+ + 2 HPO4-2 = H3P2O7- + H2O
+	-llnl_gamma	4.0    
+	log_k		14.4165
+	-delta_H	21.8112		kJ/mol
+#	deltafH		-544.1		kcal/mol
+	-analytic	2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
+#	Range		0-350
+	-Vm		9.1292 14.5122 0.0398 -3.3788 0.8568
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + HPO4-2 = H3PO4
+	-llnl_gamma	3.0    
+	log_k		9.3751
+	-delta_H	3.74468		kJ/mol
+#	deltafH		-307.92		kcal/mol
+	-analytic	1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
+#	Range		0-350
+	-Vm		8.2727 12.4182 0.8691 -3.2924 -0.22
+#	Extrapol	supcrt92
+#	Ref		SHS89
+ 
+4 H+ + 2 HPO4-2 = H4P2O7 + H2O
+	-llnl_gamma	3.0    
+	log_k		15.9263
+	-delta_H	29.7226		kJ/mol
+#	deltafH		-2268.6		kJ/mol
+	-analytic	6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
+#	Range		0-350
+	-Vm		9.2975 14.9199 -0.113 -3.3957 -0.62920
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82
+ 
+3 H2O + Al+3 = Al(OH)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-16.4329
+	-delta_H	144.704		kJ/mol
+#	deltafH		-230.73		kcal/mol
+	-analytic	4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
+#	Range		0-350
+	-Vm		3.5338 0.8485 5.4132 -2.8140 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel
+ 
+H+ + CN- = HCN
+	-llnl_gamma	3.0    
+	log_k		9.2359
+	-delta_H	-43.5136	kJ/mol
+#	deltafH		25.6		kcal/mol
+	-analytic	1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
+#	Range		0-350
+	-Vm		8.0083 11.7705 1.1286 -3.2655 -0.1113
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+H+ + Cl- = HCl
+	-llnl_gamma	3.0    
+	log_k		-0.67
+#	deltafH		-0		kcal/mol
+	-analytic	4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
+#	Range		0-350
+	-Vm		1.2547 -4.7177 7.6043 -2.5840 -0.7
+#	Extrapol	supcrt92, ?
+#	Ref		MS97, 87rua/sew match
+ 
+H+ + CrO4-2 = HCrO4-
+	-llnl_gamma	4.0    
+	log_k		6.4944
+	-delta_H	2.9288		kJ/mol
+#	deltafH		-209.9		kcal/mol
+	-analytic	4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
+#	Range		0-350
+	-Vm		8.2211 12.2925 0.9174 -3.2871 0.923
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+NO2- + H+ = HNO2
+	-llnl_gamma	3.0    
+	log_k		3.2206
+	-delta_H	-14.782		kJ/mol
+#	deltafH		-119.382	kJ/mol
+	-analytic	1.9653 -1.1603e-4 0 0 1.1569e5
+#	Range		0-350
+	-Vm		5.9151 6.659 3.1378 -3.0542 -0.1507
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82 match
+
+NO3- + H+ = HNO3
+	-llnl_gamma	3.0    
+	log_k		-1.3025
+	-delta_H	16.8155		kJ/mol
+#	deltafH		-45.41		kcal/mol
+	-analytic	9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
+#	Range		0-350
+	-Vm		7.1623 9.7063 1.9367 -3.1802 -0.3066
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SHS89
+
+2 HPO4-2 + H+ = HP2O7-3 + H2O
+	-llnl_gamma	4.0    
+	log_k		5.4498
+	-delta_H	23.3326		kJ/mol
+#	deltafH		-2274.99	kJ/mol
+	-analytic	3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
+#	Range		0-350
+	-Vm		8.3302 12.5558 0.8208 -3.2980 4.647
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
+ 
+SO3-2 + H+ = HSO3-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	9.33032		kJ/mol
+#	deltafH		-149.67		kcal/mol
+	-analytic	5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
+#	Range		0-350
+	-Vm		6.7014 8.5816 2.3771 -0.31338 1.1233
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SO4-2 + H+ = HSO4-
+	-llnl_gamma	4.0    
+	log_k		1.9791
+	-delta_H	20.5016		kJ/mol
+#	deltafH		-212.5		kcal/mol
+	-analytic	4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
+#	Range		0-350
+	-Vm		8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SiO2 + H2O = HSiO3- + H+
+	-llnl_gamma	4.0    
+	log_k		-9.9525
+	-delta_H	25.991		kJ/mol
+#	deltafH		-271.88		kcal/mol
+	-analytic	6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
+#	Range		0-350
+	-Vm		2.9735 -0.5158 5.9467 -2.7575 1.5511
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-10.2914
+	-delta_H	-1.79912	kJ/mol
+#	deltafH		-292.9		kcal/mol
+	-analytic	-2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + CH3COOH = KCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-5.0211
+	-delta_H	4.8116		kJ/mol
+#	deltafH		-175.22		kcal/mol
+	-analytic	-2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + Cl- = KCl
+	-llnl_gamma	3.0    
+	log_k		-1.4946
+	-delta_H	14.1963		kJ/mol
+#	deltafH		-96.81		kcal/mol
+	-analytic	1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
+#	Range		0-350
+	-Vm		6.9932 9.297 2.0889 -3.1633 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 
+ 
+SO4-2 + K+ + H+ = KHSO4
+	-llnl_gamma	3.0    
+	log_k		0.8136
+	-delta_H	29.8319		kJ/mol
+#	deltafH		-270.54		kcal/mol
+	-analytic	1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
+#	Range		0-350
+	-Vm		9.1226 14.4964 0.0453 -3.3782 -0.001
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + K+ = KSO4-
+	-llnl_gamma	4.0    
+	log_k		0.8796
+	-delta_H	2.88696		kJ/mol
+#	deltafH		-276.98		kcal/mol
+	-analytic	9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
+#	Range		0-350
+	-Vm		6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2674
+	-delta_H	-24.7609	kJ/mol
+#	deltafH		-304.67		kcal/mol
+	-analytic	-3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
+#	Range		0-350
+	-Vm		16.3412 32.1211 -6.8785 -4.1068 1.2422
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + CH3COOH = LiCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4589
+	-delta_H	-6.64419	kJ/mol
+#	deltafH		-184.24		kcal/mol
+	-analytic	-3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
+#	Range		0-350
+	-Vm		8.388 12.6976 0.7639 -3.3038 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + Cl- = LiCl
+	-llnl_gamma	3.0    
+	log_k		-1.5115
+	-delta_H	3.36812		kJ/mol
+#	deltafH		-105.68		kcal/mol
+	-analytic	1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
+#	Range		0-350
+	-Vm		5.5837 5.8554 3.4416 -3.021 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.473
+	-delta_H	-23.8195	kJ/mol
+#	deltafH		-349.26		kcal/mol
+	-analytic	-4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
+#	Range		0-350
+	-Vm		12.3982 22.4898 -3.0853 -3.7086 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mg+2 + CH3COOH = MgCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4781
+	-delta_H	-8.42239	kJ/mol
+#	deltafH		-229.48		kcal/mol
+	-analytic	-2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
+#	Range		0-350
+	-Vm		5.4981 5.6424 3.5341 -3.0122 0.7483
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mg+2 + Cl- = MgCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1349
+	-delta_H	-0.58576	kJ/mol
+#	deltafH		-151.44		kcal/mol
+	-analytic	4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
+#	Range		0-350
+	-Vm		2.223 -2.3505 6.6669 -2.6818 0.84490
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + Mg+2 = MgSO4
+	-llnl_gamma	3.0    
+	log_k		2.4117
+	-delta_H	19.6051		kJ/mol
+#	deltafH		-1355.96	kJ/mol
+	-analytic	1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
+#	Range		0-350
+	-Vm		2.4 -0.97 6.1 -2.74 # APP14
+#	Extrapol	supcrt92, 69hel
+#	Ref		MS97, 82mar/smi match
+
+2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.4547
+	-delta_H	-11.4893	kJ/mol
+#	deltafH		-287.67		kcal/mol
+	-analytic	-9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
+#	Range		0-350
+	-Vm		13.1542 24.3405 -3.8236 -3.7851 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.8747
+	-delta_H	-30.3591	kJ/mol
+#	deltafH		-408.28		kcal/mol
+	-analytic	-3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
+#	Range		0-350
+	-Vm		21.6217 45.0124 -11.9409 -4.6397 1.15360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mn+2 + CH3COOH = MnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.5404
+	-delta_H	-3.07942	kJ/mol
+#	deltafH		-169.56		kcal/mol
+	-analytic	-1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
+#	Range		0-350
+	-Vm		6.0776 7.057 2.9786 -3.0706 0.4555
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mn+2 + Cl- = MnCl+
+	-llnl_gamma	4.0    
+	log_k		0.3013
+	-delta_H	18.3134		kJ/mol
+#	deltafH		-88.28		kcal/mol
+	-analytic	8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
+#	Range		0-350
+	-Vm		7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
+	-llnl_gamma	3.5    
+	log_k		-20.2963
+	-delta_H	123.112		kJ/mol
+#	deltafH		-129.4		kcal/mol
+	-analytic	1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
+#	Range		0-350
+	-Vm		7.8248 11.3277 1.2912 -3.2472 0.9248
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+SO4-2 + Mn+2 = MnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3529
+	-delta_H	14.1168		kJ/mol
+#	deltafH		-266.75		kcal/mol
+	-analytic	2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
+#	Range		0-350
+	-Vm		-1.31 -1.83 62.3 -2.7 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
+	-llnl_gamma	4.0    
+	log_k		-0.1928
+	-delta_H	-56.735		kJ/mol
+#	deltafH		-265.2		kcal/mol
+	-analytic	3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
+#	Range		0-350
+	-Vm		19.3685 39.509 -9.7736 -4.4122 0.6495
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+NH3 + H+ = NH4+
+	-llnl_gamma	2.5    
+	log_k		9.2410
+	-delta_H	-51.9234	kJ/mol
+#	deltafH		-31.85		kcal/mol
+	-analytic	-1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
+#	Range		0-350
+	-Vm		3.8763 2.3448 8.5605 -2.8759 0.1502
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + CH3COOH = NH4CH3COO
+	-llnl_gamma	3.0    
+	log_k		4.6964
+	-delta_H	-48.911		kJ/mol
+#	deltafH		-147.23		kcal/mol
+	-analytic	1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
+#	Range		0-350
+	-Vm		11.2849 19.7719 -2.0187 -3.5963 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.9989
+	-delta_H	-11.5771	kJ/mol
+#	deltafH		-292.4		kcal/mol
+	-analytic	-2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
+#	Range		0-350
+	-Vm		16.2062 31.7884 -6.7416 -4.0930 0.9633
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + CH3COOH = NaCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.8606
+	-delta_H	-0.029288	kJ/mol
+#	deltafH		-173.54		kcal/mol
+	-analytic	6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
+#	Range		0-350
+	-Vm		8.3514 12.6125 0.7884 -3.3003 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + Cl- = NaCl
+	-llnl_gamma	3.0    
+	log_k		-0.777
+	-delta_H	5.21326		kJ/mol
+#	deltafH		-96.12		kcal/mol
+	-analytic	1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
+#	Range		0-350
+	-Vm		5.0364 4.5189 3.9669 -2.9658 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SiO2 + Na+ + H2O = NaHSiO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-8.304
+	-delta_H	11.6524		kJ/mol
+#	deltafH		-332.74		kcal/mol
+	-analytic	3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
+#	Range		0-350
+	-Vm		3.4928 0.75 5.4483 -2.8100 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Na+ + H2O = NaOH + H+
+	-llnl_gamma	3.0    
+	log_k		-14.7948
+	-delta_H	53.6514		kJ/mol
+#	deltafH		-112.927	kcal/mol
+	-analytic	8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
+#	Range		0-350
+	-Vm		2.2338 -2.3287 6.6683 -2.6826 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1908
+	-delta_H	-25.8571	kJ/mol
+#	deltafH		-251.28		kcal/mol
+	-analytic	-2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
+#	Range		0-350
+	-Vm		11.1327 19.4031 -1.8801 -3.5810 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.3543
+	-delta_H	-53.6807	kJ/mol
+#	deltafH		-374.03		kcal/mol
+	-analytic	5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
+#	Range		0-350
+	-Vm		19.5212 39.8827 -9.9226 -4.4277 0.1603
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + CH3COOH = NiCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.3278
+	-delta_H	-10.2508	kJ/mol
+#	deltafH		-131.45		kcal/mol
+	-analytic	-3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
+#	Range		0-350
+	-Vm		4.3556 2.8512 4.6343 -2.8968 0.7287
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + Cl- = NiCl+
+	-llnl_gamma	4.0    
+	log_k		-0.9962
+	-delta_H	5.99567		kJ/mol
+#	deltafH		-51.4		kcal/mol
+	-analytic	9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
+#	Range		0-350
+	-Vm		1.1319 -5.0147 7.714 -2.5716 0.8111
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+H2O = OH- + H+
+	-llnl_gamma	3.5    
+	log_k		-13.9951
+	-delta_H	55.8146		kJ/mol
+#	deltafH		-54.977		kcal/mol
+	-analytic	-6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
+#	Range		0-350
+	-Vm		-9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 HPO4-2 = P2O7-4 + H2O
+	-llnl_gamma	4.0    
+	log_k		-3.7463
+	-delta_H	27.2256		kJ/mol
+#	deltafH		-2271.1		kJ/mol
+	-analytic	4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
+#	Range		0-350
+	-Vm		7.0687 9.4773 2.0273 -3.1707 6.9069
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
+ 
+HPO4-2 = PO4-3 + H+
+	-llnl_gamma	4.0    
+	log_k		-12.3218
+	-delta_H	14.7068		kJ/mol
+#	deltafH		-305.3		kcal/mol
+	-analytic	-7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
+#	Range		0-350
+	-Vm		-0.5258 -9.0576 9.2927 -2.4045 5.61140
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+2 H+ + 2 SO3-2 = S2O5-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		9.5934
+#	deltafH		-0		kcal/mol
+	-analytic	0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
+#	Range		0-350
+	-Vm		7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + SO3-2 = SO2 + H2O
+	-llnl_gamma	3.0    
+	log_k		9.0656
+	-delta_H	26.7316		kJ/mol
+#	deltafH		-77.194		kcal/mol
+	-analytic	9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
+#	Range		0-350
+	-Vm		6.9502 9.189 2.1383 -3.1589 -0.0559
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-3.7237
+	-delta_H	-43.1789	kJ/mol
+#	deltafH		-389.32		kcal/mol
+	-analytic	-4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
+#	Range		0-350
+	-Vm		9.2794 14.8737 -0.0899 -3.3938 0.9706
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-6.6777
+	-delta_H	-70.0402	kJ/mol
+#	deltafH		-511.84		kcal/mol
+	-analytic	-5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
+#	Range		0-350
+	-Vm		16.5277 32.5748 -7.0539 -4.1255 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sc+3 + CH3COOH = ScCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.4294
+	-delta_H	-21.7568	kJ/mol
+#	deltafH		-268.1		kcal/mol
+	-analytic	-2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
+#	Range		0-350
+	-Vm		2.7175 -1.1437 6.1937 -2.7316 1.7013
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.7132
+	-delta_H	-25.5224	kJ/mol
+#	deltafH		-403.5		kcal/mol
+	-analytic	-1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
+#	Range		0-350
+	-Vm		9.159 14.5839 0.0138 -3.3818 0.6644
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.8798
+	-delta_H	-43.5554	kJ/mol
+#	deltafH		-523.91		kcal/mol
+	-analytic	-2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
+#	Range		0-350
+	-Vm		16.5088 32.5307 -7.0412 -4.1237 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Sm+3 + CH3COOH = SmCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9205
+	-delta_H	-13.598		kJ/mol
+#	deltafH		-284.55		kcal/mol
+	-analytic	-1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
+#	Range		0-350
+	-Vm		2.6264 -1.3667 6.2827 -2.7224 1.4769
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sm+3 + HCO3- = SmCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.1108		kJ/mol
+#	deltafH		-308.8		kcal/mol # OBIGT: -331.34 kcal/mol HSS95
+	-analytic	2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
+#	Range		0-350
+	-Vm		-1.0455 -10.3293 9.798 -2.3519 1.1907
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + Cl- = SmCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.3637		kJ/mol
+#	deltafH		-201.7		kcal/mol
+	-analytic	9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
+#	Range		0-350
+	-Vm		-0.5006 -8.9988 9.2743 -2.4069 1.4192
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Sm+3 = SmCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	19.9409		kJ/mol
+#	deltafH		-240.3		kcal/mol
+	-analytic	2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
+#	Range		0-350
+	-Vm		2.5888 -1.4617 6.3276 -2.7185 0.6644
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Sm+3 = SmCl3
+	-llnl_gamma	3.0    
+	log_k		-0.3936
+	-delta_H	13.803		kJ/mol
+#	deltafH		-281.7		kcal/mol
+	-analytic	4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
+#	Range		0-350
+	-Vm		6.0808 7.0673 2.9692 -3.0711 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Sm+3 = SmCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.818
+	-delta_H	-5.30531	kJ/mol
+#	deltafH		-326.2		kcal/mol
+	-analytic	6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
+#	Range		0-350
+	-Vm		10.8148 18.6261 -1.5732 -3.5489 1.6917
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HPO4-2 + H+ = SmH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-15.8364	kJ/mol
+#	deltafH		-477.8		kcal/mol
+	-analytic	1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
+#	Range		0-350
+	-Vm		1.3708 -4.4295 7.4801 -2.5958 1.4867
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HCO3- = SmHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.7724
+	-delta_H	9.19643		kJ/mol
+#	deltafH		-327.9		kcal/mol
+	-analytic	5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
+#	Range		0-350
+	-Vm		0.3694 -6.8727 8.4365 -2.4948 1.2366
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + NO3- = SmNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8012
+	-delta_H	-29.1667	kJ/mol
+#	deltafH		-221.6		kcal/mol
+	-analytic	3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
+#	Range		0-350
+	-Vm		1.0908 -5.1124 7.7478 -2.5676 1.5897
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.4837
+	-delta_H	113.039		kJ/mol
+#	deltafH		-206.5		kcal/mol # OBIGT: -197.63 kcal/mol HSS95
+	-analytic	1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
+#	Range		0-350
+	-Vm		2.8115 -0.9157 6.1076 -2.741 0.3837
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-35.0197
+	-delta_H	285.909		kJ/mol
+#	deltafH		-233.5		kcal/mol # OBIGT: -238.22 kcal/mol HSS95
+	-analytic	1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
+#	Range		0-350
+	-Vm		4.9642 4.3393 4.0456 -2.9583 1.0848
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.9304
+	-delta_H	226.497		kJ/mol
+#	deltafH		-247.7		kcal/mol
+	-analytic	3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
+#	Range		0-350
+	-Vm		4.9296 4.2552 4.0768 -2.9548 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9808
+	-delta_H	79.1487		kJ/mol
+#	deltafH		-214.6		kcal/mol # OBIGT: -213.97 kcal/mol HSS95
+	-analytic	6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
+#	Range		0-350
+	-Vm		2.7076 -1.1676 6.2027 -2.7306 1.1289
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + SO4-2 = SmSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-377.8		kcal/mol
+	-analytic	3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
+#	Range		0-350
+	-Vm		-1.3885 -4.3882 7.4678 -2.5975 0.7483
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+UO2+2 + H2O = UO2OH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-5.2073
+	-delta_H	43.1813		kJ/mol
+#	deltafH		-1261.66	kJ/mol
+	-analytic	3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
+#	Range		0-350
+	-Vm		4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-6.062
+	-delta_H	-11.0458	kJ/mol
+#	deltafH		-271.5		kcal/mol
+	-analytic	-2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
+#	Range		0-350
+	-Vm		11.7443 20.8978 -2.4707 -3.6429 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-10.0715
+	-delta_H	25.355		kJ/mol
+#	deltafH		-378.9		kcal/mol
+	-analytic	3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
+#	Range		0-350
+	-Vm		20.0332 41.1373 -10.4257 -4.4796 1.2513
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+   
+Zn+2 + CH3COOH = ZnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.1519
+	-delta_H	-9.87424	kJ/mol
+#	deltafH		-155.12		kcal/mol
+	-analytic	-7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
+#	Range		0-350
+	-Vm		4.8484 4.06 4.1473 -2.9468 0.41
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Zn+2 + Cl- = ZnCl+
+	-llnl_gamma	4.0    
+	log_k		0.1986
+	-delta_H	43.317		kJ/mol
+#	deltafH		-66.24		kcal/mol
+	-analytic	1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
+#	Range		0-350
+	-Vm		14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 Cl- + Zn+2 = ZnCl2
+	-llnl_gamma	3.0    
+	log_k		0.2507
+	-delta_H	31.1541		kJ/mol
+#	deltafH		-109.08		kcal/mol
+	-analytic	1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
+#	Range		0-350
+	-Vm		-10.1 4.57 241 -2.97 -1e-3 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+3 Cl- + Zn+2 = ZnCl3-
+	-llnl_gamma	4.0    
+	log_k		-0.0198
+	-delta_H	22.5894		kJ/mol
+#	deltafH		-151.06		kcal/mol
+	-analytic	1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
+#	Range		0-350
+	-Vm		0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+4 Cl- + Zn+2 = ZnCl4-2
+	-llnl_gamma	4.0    
+	log_k		0.8605
+	-delta_H	4.98733		kJ/mol
+#	deltafH		-195.2		kcal/mol
+	-analytic	8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
+#	Range		0-300
+	-Vm		28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97?
+ 
+Zn+2 + H2O = ZnOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-8.96
+#	deltafH		-0		kcal/mol
+	-analytic	-7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
+#	Range		25-300
+	-Vm		1.1499 -4.9677 7.6896 -2.5735 0.326
+#	Extrapol	supcrt92, ?
+#	Ref		SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
+ 
+Zn+2 + SO4-2 = ZnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3062
+	-delta_H	15.277		kJ/mol
+#	deltafH		-1047.71	kJ/mol
+	-analytic	1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
+#	Range		0-200
+	-Vm		2.51 0 18.8 # APP14
+#	Extrapol	69hel
+#	Ref		WEP+82
+
+#---------------------------
+# carbfix.dat additions and changes
+#---------------------------
+
+HS- + H+ = H2S
+	-llnl_gamma	3.0
+	log_k		6.97791 # SS97
+	-analytic	-782.43945 -0.361261 20565.7315 328.67496 0 1.6722e-4 # SS97
+	-Vm		7.81 2.96 -0.46 # phreeqc.dat
+
+2 H2O + Al+3 = Al(OH)2+ + 2 H+
+	-llnl_gamma	4.0
+	log_k		-10.5945 # llnl.dat
+	-analytic	4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001 # llnl.dat
+	-Vm			2.1705 -2.4811 6.7241 -2.6763 0.95700 0 0 0 0 0 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Al+3 + SiO2 + 2 H2O = AlH3SiO4+2 + H+
+	-llnl_gamma	4.5
+	log_k		-2.38 # P+96
+	-analytic	5.241793953846094 0.005624769230769303 -2772.442855034987 0 0 0 # P+96
+	-Vm			0.16 -7.23 8.61 -2.4800 0.88000 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+SO4-2 + Al+3 = AlSO4+
+	-llnl_gamma	4.0
+	log_k		3.17527 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-6034.286233487146 -2.009118445366823 225586.09598339273 2388.3098402377414 -8.473342720127227e6 0.000736431615071334 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			1.833 -3.3057 7.0494 -2.6423 2.4143 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+4 H2O + Na+ + Al+3 = NaAl(OH)4 + 4 H+
+	-llnl_gamma	3.0
+	log_k		-22.9 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-319.6003434647659 -0.1452549158200939 2048.487394301387 134.79387929123214 -579779.0987586592 0.00006885771169878286 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			9.1267 14.3411 0.1121 -3.3719 0 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Mg+2 + CO3-2 = MgCO3
+	-llnl_gamma	3.0
+	log_k		3.01 # SBS14
+	-analytic	5.5093 -0.00017143 -734.208 0 0 0 # SBS14
+	-Vm			-0.7355 -9.5745 9.5062 -2.3831 -0.038 # SSH97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Mg+2 + HCO3- = MgHCO3+
+	-llnl_gamma	4.0
+	log_k		1.10 # SBS14
+	-analytic	-8.8935 0.01694 1474.786 0 0 0 # SBS14
+	-Vm			3.271 0.206 5.669 -2.7880 0.59900 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + CO3-2 = NaCO3-
+	-llnl_gamma	4.0
+	log_k		1.01 # SBS13
+	-analytic	4.1659 0 -941.150 0 0 0 # SBS13
+	-Vm			7.642732 2.993503 2.328077 -2.902751 1.507948 # DEW17 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + HCO3- = NaHCO3
+	-llnl_gamma	3.0
+	log_k		-0.18 # SBS13
+	-analytic	1.8528 0 -606.240 0 0 0 # SBS13
+	-Vm			0.431 # APP14
+
+HCO3- + Ca+2 = CaHCO3+
+	-llnl_gamma	4.0
+	log_k		1.0467 # llnl.dat
+	-analytic	5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000 # llnl.dat
+	-Vm			3.706 1.267 5.252 -2.8310 0.30800 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Na+ + SO4-2 = NaSO4-
+	-llnl_gamma	4.0
+	log_k		0.702779 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08
+	-analytic	-1515.4130255698833 -0.5496881710640973 53009.74446438346 607.5403646933713 -1.7958467164664706e6 0.00021478523226344507 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # APP14
+
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+	-llnl_gamma	4.0
+	log_k		-5.6502 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-311.3248470052558 -0.1252808696431922 9665.364708433648 127.49811415837463 -849396.8730633351 0.00005263379396466626 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			-3.7118 -16.8408 12.3595 -2.0827 0.7191 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+	-llnl_gamma	3.0
+	log_k		-12.0185 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-741.3725966104283 -0.26505708328056 26205.378230673232 296.5340355414264 -1.972081032472368e6 0.00010032479998977653 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			2.7401 -1.0905 6.1776 -2.7338 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+	-llnl_gamma	4.0
+	log_k		-21.6225 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	1533.5014901840032 0.45075510400897445 -69859.23735739749 -593.4694075764281 2.3641904800567343e6 -0.00014964010950998835 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			2.3837 -1.9602 6.5182 -2.6979 1.4662 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+2 H2O + Fe+2 = Fe(OH)2 + 2 H+
+	-llnl_gamma	3.0
+	log_k		-20.4049 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-325.1339790725869 -0.1345716716871417 5315.653600095374 132.16984714439332 -459607.68923879805 0.000057906348553908315 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			-0.5029 -9.0053 9.2791 -2.4066 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+3 H2O + Fe+2 = Fe(OH)3- + 3 H+
+	-llnl_gamma	4.0
+	log_k		-29.208 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	1906.044327275795 0.5662477247894362 -88119.68431429783 -741.1535184277503 3.7592690582787376e6 -0.0001898657106678743 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			0.6272 -6.244 8.1905 -2.5208 1.8564 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + ClO- = HClO
+	-llnl_gamma	3.0
+	log_k		7.55236 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2041.6086043936152 -0.6683042462929405 80422.12116400951 805.7772200117705 -3.2667035060825506e6 0.00024280864184851264 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			5.5927 5.8751 3.4387 -3.0218 -0.1734 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + ClO2- = HClO2
+	-llnl_gamma	3.0
+	log_k		1.98189 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2249.8186120868168 -0.7355468012526403 86690.01133768198 887.6588357902062 -3.5397309172713878e6 0.00026672471518723433 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			7.6706 10.9455 1.4527 -3.2314 -0.3415 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+H+ + S2O3-- = HS2O3-
+	-llnl_gamma	4.0
+	log_k		1.68836 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-1611.0948316547294 -0.5495686401519247 59194.43018784251 640.1240524484979 -2.166923306383505e6 0.00020844502892650532 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			6.1964 7.351 2.8549 -3.0828 1.1676 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+K+ + H2O = KOH + H+
+	-llnl_gamma	3.0
+	log_k		-14.4386 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-477.55011247018905 -0.1442523288404146 18222.588641689916 183.69951482387626 -1.2139398662316576e6 0.0000461802984447927 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			3.7938 1.4839 5.1619 -2.8402 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+
+
+
+#---------------------------
+# 66 other aqueous species
+#---------------------------
+H2O +  Ba+2 +  B(OH)3  =  BaB(OH)4+ + H+
+        -llnl_gamma           4.0    
+        log_k           -7.8012
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+  HCO3- +  Ba+2  =  BaCO3 + H+
+        -llnl_gamma           3.0    
+        log_k           -7.6834
+	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
+#	Enthalpy of formation:	-285.85 kcal/mol
+        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
+#       -Range:  0-300
+
+ Cl- +  Ba+2  =  BaCl+
+        -llnl_gamma           4.0    
+        log_k           -0.4977
+	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
+#	Enthalpy of formation:	-165.77 kcal/mol
+        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
+#       -Range:  0-300
+
+ F- +  Ba+2  =  BaF+
+        -llnl_gamma           4.0    
+        log_k           -0.1833
+	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
+#	Enthalpy of formation:	-206.51 kcal/mol
+        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
+#       -Range:  0-300
+
+ NO3- +  Ba+2  =  BaNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.9
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ H2O +  Ba+2  =  BaOH+ + H+
+        -llnl_gamma           4.0    
+        log_k           -13.47
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
+#	Enthalpy of formation:	-0 kcal/mol
+
+
+Ce+3 + 0.5 H2O  =  Ce+2 + H+ +0.25 O2 
+        -llnl_gamma           4.5    
+        log_k           -83.6754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+H+ +  Ce+3 + 0.25 O2  =  Ce+4 +0.5 H2O 
+        -llnl_gamma           5.5    
+        log_k           -7.9154
+	-delta_H	0	      	# Not possible to ca
+	
+2.0 HCO3- +  Ce+3  =  Ce(CO3)2- +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -8.1576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Ce+3  =  Ce(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +8.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O +  Ce+4  =  Ce(OH)2+2 +2.0 H+
+        -llnl_gamma           4.5    
+        log_k           +2.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Ce+3  =  Ce(PO4)2-3 +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -6.1437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O + 2.0 Ce+4  =  Ce2(OH)2+6 +2.0 H+
+        -llnl_gamma           6.0    
+        log_k           +3.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0 H2O + 3.0 Ce+3  =  Ce3(OH)5+4 +5.0 H+
+        -llnl_gamma           5.5    
+        log_k           -33.4754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
+#	Enthalpy of formation:	-0 kcal/mol
+
+HCO3- +  Ce+3  =  CeCO3+ + H+
+        -llnl_gamma           4.0    
+        log_k           -2.9284
+	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
+#	Enthalpy of formation:	-309.988 kcal/mol
+        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
+#       -Range:  0-300
+
+Cl- +  Ce+3  =  CeCl+2
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
+#	Enthalpy of formation:	-203.8 kcal/mol
+        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
+#       -Range:  0-300
+
+2.0 Cl- +  Ce+3  =  CeCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.0308
+	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
+#	Enthalpy of formation:	-242.3 kcal/mol
+        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
+#       -Range:  0-300
+
+3.0 Cl- +  Ce+3  =  CeCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3936
+	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
+#	Enthalpy of formation:	-283.5 kcal/mol
+        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
+#       -Range:  0-300
+
+4.0 Cl- +  Ce+3  =  CeCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.7447
+	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
+#	Enthalpy of formation:	-327.6 kcal/mol
+        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
+#       -Range:  0-300
+
+ClO4- +  Ce+3  =  CeClO4+2
+        -llnl_gamma           4.5    
+        log_k           +1.9102
+	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
+#	Enthalpy of formation:	-210.026 kcal/mol
+        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
+#       -Range:  0-300
+
+F- +  Ce+3  =  CeF+2
+        -llnl_gamma           4.5    
+        log_k           +4.2221
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
+#	Enthalpy of formation:	-242 kcal/mol
+        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
+#       -Range:  0-300
+
+2.0 F- +  Ce+3  =  CeF2+
+        -llnl_gamma           4.0    
+        log_k           +7.2714
+	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
+#	Enthalpy of formation:	-324.1 kcal/mol
+        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
+#       -Range:  0-300
+
+3.0 F- +  Ce+3  =  CeF3
+        -llnl_gamma           3.0    
+        log_k           +9.5144
+	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
+#	Enthalpy of formation:	-409.3 kcal/mol
+        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
+#       -Range:  0-300
+
+4.0 F- +  Ce+3  =  CeF4-
+        -llnl_gamma           4.0    
+        log_k           +11.3909
+	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
+#	Enthalpy of formation:	-498.9 kcal/mol
+        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
+#       -Range:  0-300
+
+HPO4-2 +  H+ +  Ce+3  =  CeH2PO4+2
+        -llnl_gamma           4.5    
+        log_k           +9.6684
+	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
+#	Enthalpy of formation:	-480.1 kcal/mol
+        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
+#       -Range:  0-300
+
+HCO3- +  Ce+3  =  CeHCO3+2
+        -llnl_gamma           4.5    
+        log_k           +1.9190
+	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
+#	Enthalpy of formation:	-330.2 kcal/mol
+        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
+#       -Range:  0-300
+
+HPO4-2 +  Ce+3  =  CeHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+
+NO3- +  Ce+3  =  CeNO3+2
+        -llnl_gamma           4.5    
+        log_k           +1.3143
+	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
+#	Enthalpy of formation:	-223.2 kcal/mol
+        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
+#       -Range:  0-300
+
+H2O +  Ce+3  =  CeO+ +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -16.4103
+	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
+#	Enthalpy of formation:	-208.9 kcal/mol
+        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
+#       -Range:  0-300
+
+2.0 H2O +  Ce+3  =  CeO2- +4.0 H+
+        -llnl_gamma           4.0    
+        log_k           -38.758
+	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
+#	Enthalpy of formation:	-230.3 kcal/mol
+        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
+#       -Range:  0-300
+
+2.0 H2O +  Ce+3  =  CeO2H +3.0 H+
+        -llnl_gamma           3.0    
+        log_k           -26.1503
+	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
+#	Enthalpy of formation:	-249.5 kcal/mol
+        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
+#       -Range:  0-300
+
+H2O +  Ce+3  =  CeOH+2 + H+
+        -llnl_gamma           4.5    
+        log_k           -8.4206
+	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
+#	Enthalpy of formation:	-218.2 kcal/mol
+        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
+#       -Range:  0-300
+
+H2O +  Ce+4  =  CeOH+3 + H+
+        -llnl_gamma           5.0    
+        log_k           +3.2049
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+HPO4-2 +  Ce+3  =  CePO4 + H+
+        -llnl_gamma           3.0    
+        log_k           -0.9718
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+SO4-2 +  Ce+3  =  CeSO4+
+        -llnl_gamma           4.0    
+        log_k           -3.687
+	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
+#	Enthalpy of formation:	-380.2 kcal/mol
+        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
+#       -Range:  0-300	
+
+2.0 H+ +  Pb+2 + 0.5 O2  =  Pb+4 + H2O 
+        -llnl_gamma           5.5    
+        log_k           -14.1802
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
+#	Enthalpy of formation:	-0 kcal/mol
+
+2.0 HCO3- +  Pb+2  =  Pb(CO3)2-2 +2.0 H+
+        -llnl_gamma           4.0    
+        log_k           -11.2576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 ClO3- +  Pb+2  =  Pb(ClO3)2
+        -llnl_gamma           3.0    
+        log_k           -0.5133
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 H2O +  Pb+2  =  Pb(OH)2 +2.0 H+
+        -llnl_gamma           3.0    
+        log_k           -17.0902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0 H2O +  Pb+2  =  Pb(OH)3- +3.0 H+
+        -llnl_gamma           4.0    
+        log_k           -28.0852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 Pb+2 +  H2O  =  Pb2OH+3 + H+
+        -llnl_gamma           5.0    
+        log_k           -6.3951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0 H2O + 3.0 Pb+2  =  Pb3(OH)4+2 +4.0 H+
+        -llnl_gamma           4.5    
+        log_k           -23.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0 Pb+2 + 4.0 H2O  =  Pb4(OH)4+4 +4.0 H+
+        -llnl_gamma           5.5    
+        log_k           -20.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+8.0 H2O + 6.0 Pb+2  =  Pb6(OH)8+4 +8.0 H+
+        -llnl_gamma           5.5    
+        log_k           -43.5606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+
+ Pb+2 +  HCO3-  =  PbCO3 + H+
+        -llnl_gamma           3.0    
+        log_k           -3.7488
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  Cl-  =  PbCl+
+        -llnl_gamma           4.0    
+        log_k           +1.4374
+	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
+#	Enthalpy of formation:	-38.63 kcal/mol
+        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
+#       -Range:  0-300
+
+2.0 Cl- +  Pb+2  =  PbCl2
+        -llnl_gamma           3.0    
+        log_k           +2.0026
+	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
+#	Enthalpy of formation:	-77.7 kcal/mol
+        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
+#       -Range:  0-300
+
+3.0 Cl- +  Pb+2  =  PbCl3-
+        -llnl_gamma           4.0    
+        log_k           +1.6881
+	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
+#	Enthalpy of formation:	-117.7 kcal/mol
+        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
+#       -Range:  0-300
+
+4.0 Cl- +  Pb+2  =  PbCl4-2
+        -llnl_gamma           4.0    
+        log_k           +1.4909
+	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
+#	Enthalpy of formation:	-161.23 kcal/mol
+        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
+#       -Range:  0-300
+
+ Pb+2 +  ClO3-  =  PbClO3+
+        -llnl_gamma           4.0    
+        log_k           -0.2208
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  F-  =  PbF+
+        -llnl_gamma           4.0    
+        log_k           +0.8284
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 F- +  Pb+2  =  PbF2
+        -llnl_gamma           3.0    
+        log_k           +1.6132
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  HPO4-2 +  H+  =  PbH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +1.5
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  HPO4-2  =  PbHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  NO3-  =  PbNO3+
+        -llnl_gamma           4.0    
+        log_k           +1.2271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ Pb+2 +  H2O  =  PbOH+ + H+
+        -llnl_gamma           4.0    
+        log_k           -7.6951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 +  Pb+2  =  PbP2O7-2 + H2O
+        -llnl_gamma           4.0    
+        log_k           +7.4136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+
+1.0 Sr+2 + 1.0 HCO3-  =  SrCO3 +1.0 H+
+        -llnl_gamma           3.0    
+        log_k           -7.4635
+	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
+#	Enthalpy of formation:	-288.62 kcal/mol
+        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 Cl-  =  SrCl+
+        -llnl_gamma           4.0    
+        log_k           -0.2485
+	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
+#	Enthalpy of formation:	-169.79 kcal/mol
+        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 F-  =  SrF+
+        -llnl_gamma           4.0    
+        log_k           +0.1393
+	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
+#	Enthalpy of formation:	-210.67 kcal/mol
+        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
+#       -Range:  0-300
+
+1.0 Sr+2 + 1.0 HPO4-2 + 1.0 H+  =  SrH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +0.7300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 HPO4-2  =  SrHPO4
+        -llnl_gamma           3.0    
+        log_k           +2.0600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 NO3-  =  SrNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 H2O  =  SrOH+ +1.0 H+
+        -llnl_gamma           4.0    
+        log_k           -13.29
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0 HPO4-2 + 1.0 Sr+2  =  SrP2O7-2 +1.0 H2O
+        -llnl_gamma           4.0    
+        log_k           +1.6537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0 Sr+2 + 1.0 SO4-2  =  SrSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
+#	Enthalpy of formation:	-0 kcal/mol
+
+
+
+PHASES
+
+#------------
+# 375 solids 
+#------------
+
+[(6)(CB)(CB)S]
+	S + O2 = SO2
+	log_k		63.04
+	-analytic	137.16 -0.320465 0 0 0 0.000241
+#	Range		0-350
+	-Vm		16.5
+#	Extrapol	supcrt92
+#	Ref		R01, calculations and fit by N17
+
+[(aro)-O-(aro)]
+	O = 0.5 O2
+	log_k		-20.610681
+	-delta_H	30.240		kcal/mol
+	-analytic	-46.6 0.111 0 0 0 -7.99e-5
+#	Range		0-350
+	-Vm		-2.4
+#	Extrapol	supcrt92
+#	Ref		RH98
+
+Afwillite
+	Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
+	log_k		60.0452
+	-delta_H	-316.059	kJ/mol
+#	deltafH		-1143.31	kcal/mol
+	-analytic	1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
+#	Range		0-300
+	-Vm		129.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Akermanite
+	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
+	log_k		45.3190
+	-delta_H	-288.575	kJ/mol
+#	deltafH		-926.497	kcal/mol
+	-analytic	-4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
+#	Range		0-350
+	-Vm		92.81
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Al
+	Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
+	log_k		149.9292
+	-delta_H	-958.059	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
+#	Range		0-300
+	-Vm		9.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Al2(SO4)3
+	Al2(SO4)3 = 2 Al+3 + 3 SO4-2
+	log_k		19.0535
+	-delta_H	-364.566	kJ/mol
+#	deltafH		-3441.04	kJ/mol
+	-analytic	-6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
+#	Range		0-300
+	-Vm		126.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Alabandite
+	MnS + H+ = HS- + Mn+2
+	log_k		-0.3944
+	-delta_H	-23.3216	kJ/mol
+#	deltafH		-51		kcal/mol
+	-analytic	-1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
+#	Range		0-350
+	-Vm		21.46
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_high
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		4.0832
+	-delta_H	-62.8562	kJ/mol
+#	deltafH		-937.05		kcal/mol
+	-analytic	-1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_low
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Alum-K
+	KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
+	log_k		-4.8818
+	-delta_H	14.4139		kJ/mol
+#	deltafH		-1447		kcal/mol
+	-analytic	-8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
+#	Range		0-300
+	-Vm		269.54 # Marion+09
+#	Extrapol	Cp integration
+#	Ref		73bar/kna 
+
+Alunite
+	KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
+	log_k	-0.3479
+	-delta_H	-231.856	kJ/mol
+#	deltafH		-1235.6		kcal/mol
+	-analytic	-6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
+#	Range		0-350
+	-Vm		205.40 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Amesite-14A
+	Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
+	log_k		75.4571
+	-delta_H	-797.098	kJ/mol
+#	deltafH		-2145.67	kcal/mol
+	-analytic	-5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
+#	Range		0-300
+	-Vm		205.4
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Andalusite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.9445
+	-delta_H	-235.233	kJ/mol
+#	deltafH		-615.866	kcal/mol
+	-analytic	-7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
+#	Range		0-350
+	-Vm		51.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C
+
+Andradite
+	Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		33.3352
+	-delta_H	-301.173	kJ/mol
+#	deltafH		-1380.35	kcal/mol
+	-analytic	1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
+#	Range		0-350
+	-Vm		131.85
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	log_k		-4.3064
+	-delta_H	-18.577		kJ/mol
+#	deltafH		-342.76		kcal/mol
+	-analytic	-2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
+#	Range		0-350
+	-Vm		45.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Annite
+	KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
+	log_k		29.4693
+	-delta_H	-259.964	kJ/mol
+#	deltafH		-1232.19	kcal/mol
+	-analytic	-4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
+#	Range		0-350
+	-Vm		154.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anorthite
+	CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
+	log_k		26.5780
+	-delta_H	-303.039	kJ/mol
+#	deltafH		-1007.55	kcal/mol
+	-analytic	3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
+#	Range		0-350
+	-Vm		100.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anthophyllite
+	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
+	log_k		66.7965
+	-delta_H	-483.486	kJ/mol
+#	deltafH		-2888.75	kcal/mol
+	-analytic	-1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
+#	Range		0-350
+	-Vm		264.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Antigorite
+	Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O 
+	log_k		477.1943
+	-delta_H	-3364.43	kJ/mol
+#	deltafH		-17070.9	kcal/mol
+	-analytic	-8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
+#	Range		0-350
+	-Vm		1749.13
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Aragonite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.9931
+	-delta_H	-25.8027	kJ/mol
+#	deltafH		-288.531	kcal/mol
+	-analytic	-1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
+#	Range		0-325
+	-Vm		34.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Arcanite
+	K2SO4 = SO4-2 + 2 K+
+	log_k		-1.8008
+	-delta_H	23.836		kJ/mol
+#	deltafH		-1437.78	kJ/mol
+	-analytic	-1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
+#	Range		0-300
+	-Vm		65.50 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Artinite
+	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
+	log_k		19.6560
+	-delta_H	-130.432	kJ/mol
+#	deltafH		-698.043	kcal/mol
+	-analytic	-2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
+#	Range		0-350
+	-Vm		96.9 # 97.85 Webmineral.com
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Atacamite
+	Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
+	log_k		14.2836
+	-delta_H	-132.001	kJ/mol
+#	deltafH		-1654.43	kJ/mol
+	-analytic	-2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
+#	Range		0-200
+	-Vm		56.80 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Azurite
+	Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
+	log_k		9.1607
+	-delta_H	-122.298	kJ/mol
+#	deltafH		-390.1		kcal/mol
+	-analytic	-4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
+#	Range		0-350
+	-Vm		91.01
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+B
+	B + 1.5 H2O + 0.75 O2 = B(OH)3
+	log_k		109.5654
+	-delta_H	-636.677	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
+#	Range		0-300
+	-Vm		4.386 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+B2O3
+	B2O3 + 3 H2O = 2 B(OH)3
+	log_k		5.5464
+	-delta_H	-18.0548	kJ/mol
+#	deltafH		-1273.5		kJ/mol
+	-analytic	9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
+#	Range		0-300
+	-Vm		28.30 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bassanite
+	CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
+	log_k		-3.6615
+	-delta_H	-18.711		kJ/mol
+#	deltafH		-1576.89	kJ/mol
+	-analytic	-2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
+#	Range		0-300
+	-Vm		52.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bassetite
+	Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-17.7240
+	-delta_H	-114.841	kJ/mol
+#	deltafH		-1099.33	kcal/mol
+	-analytic	-5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
+#	Range		0-200
+	-Vm		256.19 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Beidellite-Ca
+        Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5914
+	-delta_H	-162.403	kJ/mol
+#	deltafH		-1370.66	kcal/mol
+	-analytic	3.872e1 -1.431e-1 0 0 0 9.036e-5
+#	Range		0-300
+	-Vm		133.081
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C
+
+Beidellite-Fe 
+	Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		4.6335
+	-delta_H	-154.65		kJ/mol
+#	deltafH		-1351.1		kcal/mol
+	-analytic	3.641e1 -1.391e-1 0 0 0 8.671e-5
+#	Range		0-300
+	-Vm		134.293
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Beidellite-K
+	K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.3088
+	-delta_H	-150.834	kJ/mol
+#	deltafH		-1371.9		kcal/mol
+	-analytic	3.307e1 -1.254e-1 0 0 0 7.660e-5
+#	Range		0-300
+	-Vm		137.214
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C
+
+Beidellite-Mg
+	Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5537
+	-delta_H	-165.455	kJ/mol
+#	deltafH		-1366.89	kcal/mol
+	-analytic	3.750e1 -1.415e-1 0 0 0 8.929e-5
+#	Range		0-300
+	-Vm		132.116
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C
+
+Beidellite-Na
+	Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.6473
+	-delta_H	-155.846	kJ/mol
+#	deltafH		-1369.76	kcal/mol
+	-analytic	3.613e1 -1.347e-1 0 0 0 8.470e-5
+#	Range		0-300
+	-Vm		134.522
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C
+
+Berlinite
+	AlPO4 + H+ = Al+3 + HPO4-2
+	log_k		-7.2087
+	-delta_H	-96.6313	kJ/mol
+#	deltafH		-1733.85	kJ/mol
+	-analytic	-2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
+#	Range		0-300
+	-Vm		46.19 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bieberite
+	CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
+	log_k		-2.5051
+	-delta_H	11.3885		kJ/mol
+#	deltafH		-2980.02	kJ/mol
+	-analytic	-2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
+#	Range		0-300
+	-Vm		147.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bixbyite
+	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+	log_k		-0.9655
+	-delta_H	-190.545	kJ/mol
+#	deltafH		-958.971	kJ/mol
+	-analytic	-1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
+#	Range		0-300
+	-Vm		31.89 # Webmineral.com, density 4.95
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Boehmite
+	AlO2H + 3 H+ = Al+3 + 2 H2O
+	log_k		7.5642
+	-delta_H	-113.282	kJ/mol
+#	deltafH		-238.24		kcal/mol
+	-analytic	-1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
+#	Range		0-225
+	-Vm		19.535
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Borax
+	Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
+	log_k		12.0395
+	-delta_H	80.5145		kJ/mol
+#	deltafH		-6288.44	kJ/mol
+	-analytic	7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
+#	Range		0-300
+	-Vm		222.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Boric_acid
+	B(OH)3 = B(OH)3
+	log_k		-0.1583
+	-delta_H	20.2651		kJ/mol
+#	deltafH		-1094.8		kJ/mol
+	-analytic	3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
+#	Range		0-300
+	-Vm		43.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bornite
+	Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
+	log_k		-102.4369
+	-delta_H	530.113		kJ/mol
+#	deltafH		-79.922		kcal/mol
+	-analytic	-7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
+#	Range		0-350
+	-Vm		98.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Brezinaite
+	Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
+	log_k		2.7883
+	-delta_H	-216.731	kJ/mol
+#	deltafH		-111.9		kcal/mol
+	-analytic	-7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
+#	Range		0-200
+	-Vm		69.16 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Brochantite
+	Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
+	log_k		15.4363
+	-delta_H	-163.158	kJ/mol
+#	deltafH		-2198.72	kJ/mol
+	-analytic	-2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
+#	Range		0-200
+	-Vm		113.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Brucite
+	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k		16.2980
+	-delta_H	-111.34		kJ/mol
+#	deltafH		-221.39		kcal/mol
+	-analytic	-1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
+#	Range		0-350
+	-Vm		24.63
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Bunsenite
+	NiO + 2 H+ = H2O + Ni+2
+	log_k		12.4719
+	-delta_H	-100.069	kJ/mol
+#	deltafH		-57.3		kcal/mol
+	-analytic	-8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
+#	Range		0-350
+	-Vm		10.97
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+C
+	C + H2O + O2 = H+ + HCO3-
+	log_k		64.1735
+	-delta_H	-391.961	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
+#	Range		0-350
+	-Vm		5.298
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca
+	Ca  +2 H+ + 0.5 O2 = Ca+2 + H2O
+	log_k		139.8465
+	-delta_H	-822.855	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
+#	Range		0-300
+	-Vm		26.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ca-Al_Pyroxene
+	CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
+	log_k		35.9759
+	-delta_H	-361.548	kJ/mol
+#	deltafH		-783.793	kcal/mol
+	-analytic	-1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
+#	Range		0-350
+	-Vm		63.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca3Al2O6
+	Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
+	log_k		113.0460
+	-delta_H	-833.336	kJ/mol
+#	deltafH		-857.492	kcal/mol
+	-analytic	-2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
+#	Range		0-200
+	-Vm		88.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Ca4Al2Fe2O10
+	Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
+	log_k		140.5050
+	-delta_H	-1139.86	kJ/mol
+#	deltafH		-1211		kcal/mol
+	-analytic	-4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
+#	Range		0-200
+	-Vm		130.28 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaAl2O4
+	CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
+	log_k		46.9541
+	-delta_H	-436.952	kJ/mol
+#	deltafH		-555.996	kcal/mol
+	-analytic	-3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
+#	Range		0-300
+	-Vm		53.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+CaAl4O7
+	CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
+	log_k		68.6138
+	-delta_H	-718.464	kJ/mol
+#	deltafH		-951.026	kcal/mol
+	-analytic	-3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
+#	Range		0-200
+	-Vm		89.35 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaUO4
+	CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
+	log_k		15.9420
+	-delta_H	-131.46		kJ/mol
+#	deltafH		-2002.3		kJ/mol
+	-analytic	-8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
+#	Range		0-300
+	-Vm		45.92 # M13
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Calcite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.8487
+	-delta_H	-25.7149	kJ/mol
+#	deltafH		-288.552	kcal/mol
+	-analytic	-1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
+#	Range		0-350
+	-Vm		36.934
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cattierite
+	CoS2 = Co+2 + S2-2
+	log_k		-29.9067
+#	deltafH		-36.589		kcal/mol
+	-analytic	-2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
+#	Range		0-300
+	-Vm		25.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Celadonite
+	KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
+	log_k		7.4575
+	-delta_H	-74.3957	kJ/mol
+#	deltafH		-1394.9		kcal/mol
+	-analytic	-3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
+#	Range		0-300
+	-Vm		157.1
+#	Extrapol	supcrt92, Cp integration
+#	Ref		HDN+78, 78wol match
+
+Chalcanthite
+	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+	log_k		-2.6215
+	-delta_H	6.57556		kJ/mol
+#	deltafH		-2279.68	kJ/mol
+	-analytic	-1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
+#	Range		0-200
+	-Vm		108.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Chalcedony
+	SiO2 = SiO2
+	log_k		-3.7281
+	-delta_H	31.4093		kJ/mol
+#	deltafH		-217.282	kcal/mol
+	-analytic	-9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocite
+	Cu2S + H+ = HS- + 2 Cu+
+	log_k		-34.7342
+	-delta_H	206.748		kJ/mol
+#	deltafH		-19		kcal/mol
+	-analytic	-1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
+#	Range		0-350
+	-Vm		27.48
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocyanite
+	CuSO4 = Cu+2 + SO4-2
+        log_k		2.9239
+	-delta_H	-72.5128	kJ/mol
+#	deltafH		-771.4		kJ/mol
+	-analytic	5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
+#	Range		0-200
+	-Vm		40.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		CWM89
+
+Chalcopyrite
+	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+	log_k		-32.5638
+	-delta_H	127.206		kJ/mol
+#	deltafH		-44.453		kcal/mol
+	-analytic	-3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
+#	Range		0-350
+	-Vm		42.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chloromagnesite
+	MgCl2 = Mg+2 + 2 Cl-
+	log_k		21.8604
+	-delta_H	-158.802	kJ/mol
+#	deltafH		-641.317	kJ/mol
+	-analytic	-2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
+#	Range		0-300
+	-Vm		40.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Chromite
+	FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
+	log_k		15.1685
+	-delta_H	-267.755	kJ/mol
+#	deltafH		-1444.83	kJ/mol
+	-analytic	-1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
+#	Range		0-300
+	-Vm		44.01 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Chrysotile
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		31.1254
+	-delta_H	-218.041	kJ/mol
+#	deltafH		-1043.12	kcal/mol
+	-analytic	-9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
+#	Range		0-350
+	-Vm		108.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinochlore-14A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		67.2391
+	-delta_H	-612.379	kJ/mol
+#	deltafH		-2116.96	kcal/mol
+	-analytic	-2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
+#	Range		0-350
+	-Vm		207.11
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C
+
+Clinochlore-7A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		70.6124
+	-delta_H	-628.14		kJ/mol
+#	deltafH		-2113.2		kcal/mol
+	-analytic	-2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
+#	Range		0-350
+	-Vm		211.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinoptilolite-K
+	K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
+	log_k		-10.9485
+	-delta_H	67.4862		kJ/mol
+#	deltafH		-4937.77	kcal/mol
+	-analytic	1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
+#	Range		0-300
+	-Vm		655.93 # Webmineral.com, density 2.15
+#	Extrapol	Cp integration
+#	Ref		89db 7
+
+Clinozoisite
+	Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.2569
+	-delta_H	-457.755	kJ/mol
+#	deltafH		-1643.78	kcal/mol
+	-analytic	-2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
+#	Range		0-300
+	-Vm		136.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78, SH88
+
+Co
+	Co + 2 H+ + 0.5 O2 = Co+2 + H2O
+	log_k		52.5307
+	-delta_H	-337.929	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
+#	Range		0-300
+	-Vm		6.67 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Co2SiO4
+	Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
+	log_k		6.6808
+	-delta_H	-88.6924	kJ/mol
+#	deltafH		-353.011	kcal/mol
+	-analytic	-3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
+#	Range		0-300
+	-Vm		44.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2
+	CoCl2 = Co+2 + 2 Cl-
+	log_k		8.2641
+	-delta_H	-79.5949	kJ/mol
+#	deltafH		-312.722	kJ/mol
+	-analytic	-2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
+#	Range		0-300
+	-Vm		38.69 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2:2H2O
+	CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
+        log_k		4.6661
+	-delta_H	-40.7876	kJ/mol
+#	deltafH		-923.206	kJ/mol
+        -analytic	-5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
+#  	Range		0-200
+	-Vm		66.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoCl2:6H2O
+	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+	log_k		2.6033
+	-delta_H	8.32709		kJ/mol
+#	deltafH		-2115.67	kJ/mol
+	-analytic	-1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
+#	Range		0-200
+	-Vm		123.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoFe2O4
+	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
+	log_k		0.8729
+	-delta_H	-160.674	kJ/mol
+#	deltafH		-272.466	kcal/mol
+	-analytic	-3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
+#	Range		0-300
+	-Vm		44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoO
+	CoO + 2 H+ = Co+2 + H2O
+	log_k		13.5553
+	-delta_H	-106.05		kJ/mol
+#	deltafH		-237.946	kJ/mol
+	-analytic	-8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
+#	Range		0-300
+	-Vm		11.64 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoS
+	CoS + H+ = Co+2 + HS-
+	log_k		-7.3740
+	-delta_H	10.1755		kJ/mol
+#	deltafH		-20.182		kcal/mol
+	-analytic	-1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
+#	Range		0-300
+	-Vm		22.91 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoSO4
+	CoSO4 = Co+2 + SO4-2
+	log_k		2.8996
+	-delta_H	-79.7952	kJ/mol
+#	deltafH		-887.964	kJ/mol
+	-analytic	-1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
+#	Range		0-300
+	-Vm		41.78 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:6H2O
+	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+	log_k		-2.3512
+	-delta_H	1.08483		kJ/mol
+#	deltafH		-2683.87	kJ/mol
+	-analytic	-2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
+#	Range		0-300
+	-Vm		130.30 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:H2O
+	CoSO4:H2O = Co+2 + H2O + SO4-2
+	log_k		-1.2111
+	-delta_H	-52.6556	kJ/mol
+#	deltafH		-287.032	kcal/mol
+	-analytic	-1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
+#	Range		0-200
+	-Vm		56.26 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Coesite
+	SiO2 = SiO2
+	log_k		-3.1893
+	-delta_H	28.6144		kJ/mol
+#	deltafH		-216.614	kcal/mol
+	-analytic	-9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
+#	Range		0-350
+	-Vm		20.641
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Coffinite
+	USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
+	log_k		-8.0530
+	-delta_H	-49.2493	kJ/mol
+#	deltafH		-1991.33	kJ/mol
+	-analytic	2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
+#	Range		0-200
+	-Vm		46.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		92gre/fug
+
+Cordierite_anhyd
+	Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
+	log_k		52.3035
+	-delta_H	-626.219	kJ/mol
+#	deltafH		-2183.2		kcal/mol
+	-analytic	2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
+#	Range		0-350
+	-Vm		233.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C
+
+Cordierite_hydr
+	Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
+	log_k		49.8235
+	-delta_H	-608.814	kJ/mol
+#	deltafH		-2255.68	kcal/mol
+	-analytic	-1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
+#	Range		0-350
+	-Vm		241.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C
+
+Corundum
+	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+	log_k		18.3121
+	-delta_H	-258.626	kJ/mol
+#	deltafH		-400.5		kcal/mol
+	-analytic	-1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
+#	Range		0-350
+	-Vm		25.575
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag
+
+Covellite
+	CuS + H+ = Cu+2 + HS-
+	log_k		-22.8310
+	-delta_H	101.88		kJ/mol
+#	deltafH		-12.5		kcal/mol
+	-analytic	-1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
+#	Range		0-350
+	-Vm		20.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cr
+	Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
+	log_k		98.6784
+	-delta_H	-658.145	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
+#	Range		0-300
+	-Vm		7.231 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+CrCl3
+	CrCl3 = Cr+3 + 3 Cl-
+	log_k		17.9728
+	-delta_H	-183.227	kJ/mol
+#	deltafH		-556.5		kJ/mol
+	-analytic	-2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
+#	Range		0-300
+	-Vm		57.38 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CrO2
+	CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
+	log_k		-19.1332
+	-delta_H	85.9812		kJ/mol
+#	deltafH		-143		kcal/mol
+	-analytic	2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
+#	Range		0-200
+	-Vm		16.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+CrO3
+	CrO3 + H2O = CrO4-2 + 2 H+
+	log_k		-3.5221
+	-delta_H	-5.78647	kJ/mol
+#	deltafH		-140.9		kcal/mol
+	-analytic	-1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
+#	Range		0-300
+	-Vm		35.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+CrS
+	CrS + H+ = Cr+2 + HS-
+	log_k		-0.6304
+	-delta_H	-26.15		kJ/mol
+#	deltafH		-31.9		kcal/mol
+	-analytic	-1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
+#	Range		0-300
+	-Vm		17.33 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+Cristobalite(alpha)
+	SiO2 = SiO2
+	log_k		-3.4488
+	-delta_H	29.2043		kJ/mol
+#	deltafH		-216.755	kcal/mol
+	-analytic	-1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
+#	Range		0-350
+	-Vm		25.74
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cristobalite(beta)
+	SiO2 = SiO2
+	log_k		-3.0053
+	-delta_H	24.6856		kJ/mol
+#	deltafH		-215.675	kcal/mol
+	-analytic	-4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
+#	Range		0-350
+	-Vm		27.38
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cronstedtite-7A
+	Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
+	log_k		16.2603
+	-delta_H	-244.266	kJ/mol
+#	deltafH		-697.413	kcal/mol
+	-analytic	-2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
+#	Range		0-300
+	-Vm		110.9 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Cu
+	Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
+	log_k		31.5118
+	-delta_H	-214.083	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
+#	Range		0-300
+	-Vm		7.113
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+
+CuCl2
+	CuCl2 = Cu+2 + 2 Cl-
+	log_k		3.7308
+	-delta_H	-48.5965	kJ/mol
+#	deltafH		-219.874	kJ/mol
+	-analytic	-1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
+#	Range		0-200
+	-Vm		39.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CuCr2O4
+	CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
+	log_k		16.2174
+	-delta_H	-268.768	kJ/mol
+#	deltafH		-307.331	kcal/mol
+	-analytic	-1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
+#	Range		0-200
+	-Vm		42.74 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Cuprite
+	Cu2O + 2 H+ = H2O + 2 Cu+
+	log_k		-1.9031
+	-delta_H	28.355		kJ/mol
+#	deltafH		-40.83		kcal/mol
+	-analytic	-8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
+#	Range		0-350
+	-Vm		23.437
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-14A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k		52.2821
+	-delta_H	-517.561	kJ/mol
+#	deltafH		-1693.04	kcal/mol
+	-analytic	-1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
+#	Range		0-350
+	-Vm		213.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-7A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k	55.6554
+	-delta_H	-532.326	kJ/mol
+#	deltafH		-1689.51	kcal/mol
+	-analytic	-1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
+#	Range		0-300
+	-Vm		221.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dawsonite
+	NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
+	log_k		4.3464
+	-delta_H	-76.3549	kJ/mol
+#	deltafH		-1963.96	kJ/mol
+	-analytic	-1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
+#	Range		0-200
+	-Vm		59.50 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Delafossite
+	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+	log_k		-6.4172
+	-delta_H	-18.6104	kJ/mol
+#	deltafH		-126.904	kcal/mol
+	-analytic	-1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
+#	Range		0-300
+	-Vm		27.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Diaspore
+	AlHO2 + 3 H+ = Al+3 + 2 H2O
+	log_k		7.1603
+	-delta_H	-110.42		kJ/mol
+#	deltafH		-238.924	kcal/mol
+	-analytic	-1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
+#	Range		0-225
+	-Vm		17.76
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Dicalcium_silicate
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		37.1725
+	-delta_H	-217.642	kJ/mol
+#	deltafH		-2317.9		kJ/mol
+	-analytic	-5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
+#	Range		0-300
+	-Vm		59.11 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Diopside
+	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
+	log_k		20.9643
+	-delta_H	-133.775	kJ/mol
+#	deltafH		-765.378	kcal/mol
+	-analytic	7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
+#	Range		0-350
+	-Vm		66.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dioptase
+	CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
+	log_k		6.0773
+	-delta_H	-25.2205	kJ/mol
+#	deltafH		-1358.47	kJ/mol
+	-analytic	2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
+#	Range		0-200
+	-Vm		48.24 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Dolomite-dis
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		4.0579
+	-delta_H	-72.2117	kJ/mol
+#	deltafH		-553.704	kcal/mol
+	-analytic	-3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
+#	Range		0-350
+	-Vm		64.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dolomite-ord
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		2.5135
+	-delta_H	-59.9651	kJ/mol
+#	deltafH		-556.631	kcal/mol
+	-analytic	-3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
+#	Range		0-350
+	-Vm		64.34
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Enstatite
+	MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
+	log_k		11.3269
+	-delta_H	-82.7302	kJ/mol
+#	deltafH		-369.686	kcal/mol
+	-analytic	-4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
+#	Range		0-350
+	-Vm		31.276
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote
+	Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.451	kJ/mol
+#	deltafH		-1543.99	kcal/mol
+	-analytic	-2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote-ord
+	FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.351	kJ/mol
+#	deltafH		-1544.02	kcal/mol
+	-analytic	1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Eskolaite
+	Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
+	log_k		-9.1306
+	-delta_H	-32.6877	kJ/mol
+#	deltafH		-1139.74	kJ/mol
+	-analytic	-2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
+#	Range		0-300
+	-Vm		29.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ettringite
+	Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
+	log_k		62.5362
+	-delta_H	-382.451	kJ/mol
+#	deltafH		-4193		kcal/mol
+	-analytic	-1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
+#	Range		0-200
+	-Vm		697.28 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Eu
+	Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
+	log_k		165.1443
+	-delta_H	-1025.08	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
+#	Range		0-300
+	-Vm		28.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		85rar 2
+
+Eu(OH)3
+	Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
+	log_k		15.3482
+	-delta_H	-126.897	kJ/mol
+#	deltafH		-1336.04	kJ/mol
+	-analytic	-6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
+#	Range		0-200
+	-Vm		38.44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+Eu2(SO4)3:8H2O
+	Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
+	log_k		-10.8524
+	-delta_H	-86.59		kJ/mol
+#	deltafH		-6139.77	kJ/mol
+	-analytic	-5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
+#	Range		0-200
+	-Vm		245.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(cubic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+	log_k		51.7818
+	-delta_H	-406.403	kJ/mol
+#	deltafH		-1661.96	kJ/mol
+	-analytic	-5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
+#	Range		0-200
+	-Vm		48.29 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(monoclinic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+        log_k		53.3936
+	-delta_H	-417.481	kJ/mol
+#	deltafH		-1650.88	kJ/mol
+	-analytic	-5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
+#	Range		0-200
+	-Vm		44.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu3O4
+	Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
+        log_k		87.0369
+	-delta_H	-611.249	kJ/mol
+#	deltafH		-2270.56	kJ/mol
+	-analytic	-1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
+#	Range		0-200
+	-Vm		64.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl2
+	EuCl2 = Eu+2 + 2 Cl-
+	log_k		5.9230
+	-delta_H	-39.2617	kJ/mol
+#	deltafH		-822.5		kJ/mol
+	-analytic	-2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
+#	Range		0-200
+	-Vm		45.49 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuCl3
+	EuCl3 = Eu+3 + 3 Cl-
+	log_k		19.7149
+	-delta_H	-170.861	kJ/mol
+#	deltafH		-935.803	kJ/mol
+	-analytic	3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
+#	Range		0-200
+	-Vm		52.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl3:6H2O
+	EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
+	log_k		4.9090
+	-delta_H	-40.0288	kJ/mol
+#	deltafH		-2781.66	kJ/mol
+	-analytic	-1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
+#	Range		0-200
+	-Vm		151.22 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuOCl
+	EuOCl + 2 H+ = Cl- + Eu+3 + H2O
+        log_k		15.6683
+	-delta_H	-147.173	kJ/mol
+#	deltafH		-911.17		kJ/mol
+	-analytic	-7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
+#	Range		0-200
+	-Vm		31.68 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuS
+	EuS + H+ = Eu+2 + HS-
+	log_k		14.9068
+	-delta_H	-96.4088	kJ/mol
+#	deltafH		-447.302	kJ/mol
+        -analytic	-4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
+#	Range		0-200
+	-Vm		32.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuSO4
+	EuSO4 = Eu+2 + SO4-2
+        log_k		-8.8449
+	-delta_H	33.873		kJ/mol
+#	deltafH		-1471.08	kJ/mol
+	-analytic	3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
+#	Range		0-200
+	-Vm		49.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eucryptite
+	LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
+	log_k		13.6106
+	-delta_H	-141.818	kJ/mol
+#	deltafH		-2124.41	kJ/mol
+	-analytic	-2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
+#	Range		0-300
+	-Vm		53.63 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fayalite
+	Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
+	log_k		19.1113
+	-delta_H	-152.256	kJ/mol
+#	deltafH		-354.119	kcal/mol
+	-analytic	1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
+#	Range		0-350
+	-Vm		46.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Fe
+	Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
+	log_k		59.0325
+	-delta_H	-372.029	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
+#	Range		0-350
+	-Vm		7.092 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		RHF79
+
+Fe(OH)2
+	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
+	log_k		13.9045
+	-delta_H	-95.4089	kJ/mol
+#	deltafH		-568.525	kJ/mol
+	-analytic	-8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
+#	Range		0-300
+	-Vm		26.43 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe(OH)3
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	log_k		5.6556
+	-delta_H	-84.0824	kJ/mol
+#	deltafH		-823.013	kJ/mol
+        -analytic	-1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
+#	Range		0-300
+	-Vm		34.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe2(SO4)3
+	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+	log_k		3.2058
+	-delta_H	-250.806	kJ/mol
+#	deltafH		-2577.16	kJ/mol
+	-analytic	-5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
+#	Range		0-300
+	-Vm		130.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79	
+
+FeO
+	FeO + 2 H+ = Fe+2 + H2O
+	log_k		13.5318
+	-delta_H	-106.052	kJ/mol
+#	deltafH		-65.02		kcal/mol
+	-analytic	-7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
+#	Range		0-350
+	-Vm		12
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+FeSO4
+	FeSO4 = Fe+2 + SO4-2
+	log_k		2.6565
+	-delta_H	-73.0878	kJ/mol
+#	deltafH		-928.771	kJ/mol
+	-analytic	-2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
+#	Range		0-300
+	-Vm		41.58 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Ca
+	CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
+	log_k		21.5217
+	-delta_H	-264.738	kJ/mol
+#	deltafH		-363.494	kcal/mol
+        -analytic	-2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
+#	Range		0-300
+	-Vm		44.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Ferrite-Cu
+	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+	log_k		10.3160
+	-delta_H	-211.647	kJ/mol
+#	deltafH		-965.178	kJ/mol
+	-analytic	-3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
+#	Range		0-300
+	-Vm		44.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Dicalcium
+	Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
+	log_k		56.8331
+	-delta_H	-475.261	kJ/mol
+#	deltafH		-2139.26	kJ/mol
+	-analytic	-3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
+#	Range		0-300
+	-Vm		67.18 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Mg
+	MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+	log_k		21.0551
+	-delta_H	-280.056	kJ/mol
+#	deltafH		-1428.42	kJ/mol
+	-analytic	-2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
+#	Range		0-300
+	-Vm		44.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Zn
+	ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
+	log_k		11.7342
+	-delta_H	-226.609	kJ/mol
+#	deltafH		-1169.29	kJ/mol
+	-analytic	-2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
+#	Range		0-300
+	-Vm		45.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrosilite
+	FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
+	log_k		7.4471
+	-delta_H	-60.6011	kJ/mol
+#	deltafH		-285.658	kcal/mol
+	-analytic	9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
+#	Range		0-350
+	-Vm		32.952
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Forsterite
+	Mg2SiO4 + 4 H+ =  SiO2 + 2 H2O + 2 Mg+2
+	log_k		27.8626
+	-delta_H	-205.614	kJ/mol
+#	deltafH		-520		kcal/mol
+	-analytic	-7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
+#	Range		0-350
+	-Vm		43.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Foshagite
+	Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
+	log_k		65.9210
+	-delta_H	-359.839	kJ/mol
+#	deltafH		-1438.27	kcal/mol
+	-analytic	2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
+#	Range		0-300
+	-Vm		154.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+
+Gd
+	Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
+	log_k		180.7573
+	-delta_H	-1106.67	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
+#	Range		0-300
+	-Vm		19.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gehlenite
+	Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
+	log_k		56.2997
+	-delta_H	-489.934	kJ/mol
+#	deltafH		-951.225	kcal/mol
+	-analytic	-2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
+#	Range		0-350
+	-Vm		90.24
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gibbsite
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	log_k		7.7560
+	-delta_H	-102.788	kJ/mol
+#	deltafH		-309.065	kcal/mol
+	-analytic	-1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
+#	Range		0-150
+	-Vm		31.956
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Goethite
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	log_k		0.5345
+	-delta_H	-61.9291	kJ/mol
+#	deltafH		-559.328	kJ/mol
+	-analytic	-6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
+#	Range		0-200
+	-Vm		20.82
+#	Extrapol	supcrt92, Constant H approx
+#	Ref		Sho09, MLS+03, RHF79 match
+
+Greenalite
+	Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
+	log_k		22.6701
+	-delta_H	-165.297	kJ/mol
+#	deltafH		-787.778	kcal/mol
+	-analytic	-1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
+#	Range		0-350
+	-Vm		115
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 78wol, Wilson+06 match
+
+Grossular
+	Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		51.9228
+	-delta_H	-432.006	kJ/mol
+#	deltafH		-1582.74	kcal/mol
+	-analytic	2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
+#	Range		0-350
+	-Vm		125.3
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	log_k		-4.4823
+	-delta_H	-1.66746	kJ/mol
+#	deltafH		-2022.69	kJ/mol
+	-analytic	-2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
+#	Range		0-300
+	-Vm		74.69 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gyrolite
+	Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
+	log_k		22.9099
+	-delta_H	-82.862		kJ/mol
+#	deltafH		-1176.55	kcal/mol
+	-analytic	-2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
+#	-Range		0-300
+	-Vm		136.85 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Halite
+	NaCl = Cl- + Na+
+	log_k		1.5855
+	-delta_H	3.7405		kJ/mol
+#	deltafH		-98.26		kcal/mol
+	-analytic	-1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
+#	Range		0-350
+	-Vm		27.015
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hatrurite
+	Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
+	log_k		73.4056
+	-delta_H	-434.684	kJ/mol
+#	deltafH		-700.234	kcal/mol
+	-analytic	-4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
+#	Range		0-300
+	-Vm		75.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Hausmannite
+	Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
+	log_k		10.1598
+	-delta_H	-268.121	kJ/mol
+#	deltafH		-1387.83	kJ/mol
+	-analytic	-2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
+#	Range		0-300
+	-Vm		48.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Heazlewoodite
+	Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
+	log_k		28.2477
+	-delta_H	-270.897	kJ/mol
+#	deltafH		-203.012	kJ/mol
+	-analytic	-3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
+#	Range		0-300
+	-Vm		40.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Hedenbergite
+	CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
+	log_k		19.6060
+	-delta_H	-124.507	kJ/mol
+#	deltafH		-678.276	kcal/mol
+	-analytic	-1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
+#	Range		0-350
+	-Vm		68.27
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hematite
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	log_k		0.1086
+	-delta_H	-129.415	kJ/mol
+#	deltafH		-197.72		kcal/mol
+	-analytic	-2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
+#	Range		0-350
+	-Vm		30.274
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hercynite
+	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+	log_k		28.8484
+	-delta_H	-345.961	kJ/mol
+#	deltafH		-1966.45	kJ/mol
+	-analytic	-3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
+#	Range		0-300
+	-Vm		40.75 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hillebrandite
+	Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
+	log_k		36.8190
+	-delta_H	-203.074	kJ/mol
+#	deltafH		-637.404	kcal/mol
+	-analytic	-1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
+#	Range		0-300
+	-Vm		71.79 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Huntite
+	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
+	log_k		10.3010
+	-delta_H	-171.096	kJ/mol
+#	deltafH		-1082.6		kcal/mol
+	-analytic	-6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
+#	Range		0-350
+	-Vm		122.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydromagnesite
+	Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
+	log_k		30.8539
+	-delta_H	-289.696	kJ/mol
+#	deltafH		-1557.09	kcal/mol
+	-analytic	-7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
+#	Range		0-350
+	-Vm		208.8
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydrophilite
+	CaCl2 = Ca+2 + 2 Cl-
+	log_k		11.7916
+	-delta_H	-81.4545	kJ/mol
+#	deltafH		-795.788	kJ/mol
+	-analytic	-2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
+#	Range		0-300
+	-Vm		49.99 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hydroxyapatite
+	Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+	log_k		-3.0746
+	-delta_H	-191.982	kJ/mol
+#	deltafH		-6685.52	kJ/mol
+	-analytic	-8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
+#	Range		0-300
+	-Vm		128.9
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ice
+	H2O = H2O
+	log_k		0.1387
+	-delta_H	6.74879		kJ/mol
+#	deltafH		-69.93		kcal/mol
+	-analytic	-2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
+#	Range		0-200
+	-Vm		19.635 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87kee/rup
+
+Ilmenite
+	FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
+	log_k		0.9046
+#	deltafH		-1236.65	kJ/mol
+	-Vm		32.15 # Webmineral.com
+#	Ref		RHF79
+
+Jadeite
+	NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
+	log_k		8.3888
+	-delta_H	-84.4415	kJ/mol
+#	deltafH		-722.116	kcal/mol
+	-analytic	1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
+#	Range		0-350
+	-Vm		60.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Jarosite
+	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
+	log_k		-9.3706
+	-delta_H	-191.343	kJ/mol
+#	deltafH		-894.79		kcal/mol
+	-analytic	-1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
+#	Range		0-200
+	-Vm		162.07 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		75kas/bor
+
+K
+	K + H+ + 0.25 O2 = 0.5 H2O + K+
+	log_k		70.9861
+	-delta_H	-392.055	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
+#	Range		0-300
+	-Vm		45.94 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+
+K-Feldspar
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
+#	Range		0-350
+	-Vm		108.87
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+K2O
+	K2O + 2 H+ = H2O + 2 K+
+	log_k		84.0405
+	-delta_H	-427.006	kJ/mol
+#	deltafH		-86.8		kcal/mol
+	-analytic	-1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
+#	Range		0-350
+	-Vm		40.085 # gfw/density
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+KAl(SO4)2
+	KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
+	log_k		3.3647
+	-delta_H	-139.485	kJ/mol
+#	deltafH		-2470.29	kJ/mol
+	-analytic	-4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
+#	Range		0-300
+	-Vm		146.71 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Kalsilite
+	KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
+	log_k		10.8987
+	-delta_H	-108.583	kJ/mol
+#	deltafH		-509.408	kcal/mol
+	-analytic	-6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
+#	Range		0-350
+	-Vm		59.89
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Kaolinite
+	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
+	log_k		6.8101
+	-delta_H	-151.779	kJ/mol
+#	deltafH		-982.221	kcal/mol
+	-analytic	1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
+#	Range		0-350
+	-Vm		99.52
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C
+
+KerogenC128
+	C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
+	log_k		10740.654
+	-delta_H	-14623.902	kcal/mol
+	-analytic	23405.37 -54.726 0 0 0 0.041
+#	Range		0-350
+	-Vm		1320.7
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC292
+	C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
+	log_k		27153.69
+	-delta_H	-36994.127	kcal/mol
+	-analytic	59184.26 -138.37 0 0 0 0.10
+#	Range		0-350
+	-Vm		3398.2
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC515
+	C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
+	log_k		48112.16
+	-delta_H 	-65346.703	kcal/mol
+	-analytic	104660.55 -244.27 0 0 0 0.183
+#	Range		0-350
+	-Vm		6989.3
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+Kyanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.6740
+	-delta_H	-230.919	kJ/mol
+#	deltafH		-616.897	kcal/mol
+	-analytic	-7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
+#	Range		0-175
+	-Vm		44.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Larnite
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		38.4665
+	-delta_H	-227.061	kJ/mol
+#	deltafH		-551.74		kcal/mol
+	-analytic	2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
+#	Range		0-300
+	-Vm		51.6 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Lawrencite
+	FeCl2 = Fe+2 + 2 Cl-
+	log_k		9.0945
+	-delta_H	-84.7665	kJ/mol
+#	deltafH		-341.65		kJ/mol
+	-analytic	-2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
+#	Range		0-300
+	-Vm		40.31 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Lawsonite
+	CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
+	log_k		22.2132
+	-delta_H	-244.806	kJ/mol
+#	deltafH		-1158.1		kcal/mol
+	-analytic	1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
+#	Range		0-350
+	-Vm		101.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Li
+	Li + H+ +0.25 O2 = 0.5 H2O + Li+
+	log_k		72.7622
+	-delta_H	-418.339	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
+#	Range		0-300
+	-Vm		13.017 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Lime
+	CaO + 2 H+ = Ca+2 + H2O
+	log_k		32.5761
+	-delta_H	-193.832	kJ/mol
+#	deltafH		-151.79		kcal/mol
+	-analytic	-7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
+#	Range		0-350
+	-Vm		16.764
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Linnaeite
+	Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
+	log_k		-106.9017
+	-delta_H	420.534		kJ/mol
+#	deltafH		-85.81		kcal/mol
+	-analytic	-6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
+#	Range		0-300
+	-Vm		63.55 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Lizardite
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		30.560
+	-analytic	7.886e1 -2.108e-1 0 0 0 1.637e-4
+#	Range		0-300
+	-Vm		107.31
+#	Extrapol	supcrt92
+#	Ref		Wilson+06
+
+Lopezite
+	K2Cr2O7 + H2O =  2 CrO4-2 + 2 H+ + 2 K+
+	log_k		-17.4366
+	-delta_H	81.9227		kJ/mol
+#	deltafH		-493.003	kcal/mol
+	-analytic	7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
+#	Range		0-200
+	-Vm		109.93 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		76del/hal
+
+Magnesiochromite
+	MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
+	log_k		21.6927
+	-delta_H	-302.689	kJ/mol
+#	deltafH		-1783.6		kJ/mol
+	-analytic	-1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
+#	Range		0-200
+	-Vm		43.564 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		WEP+82
+
+Magnesite
+	MgCO3 + H+ = HCO3- + Mg+2
+	log_k		2.2936
+	-delta_H	-44.4968	kJ/mol
+#	deltafH		-265.63		kcal/mol
+	-analytic	-1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
+#	Range		0-350
+	-Vm		28.018
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Magnetite
+	Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
+	log_k		10.4724
+	-delta_H	-216.597	kJ/mol
+#	deltafH		-267.25		kcal/mol
+	-analytic	-3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
+#	Range		0-350
+	-Vm		44.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Malachite
+	Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
+	log_k		5.9399
+	-delta_H	-76.2827	kJ/mol
+#	deltafH		-251.9		kcal/mol
+	-analytic	-2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
+#	Range		0-350
+	-Vm		54.86
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Manganosite
+	MnO + 2 H+ = H2O + Mn+2
+	log_k		17.9240
+	-delta_H	-121.215	kJ/mol
+#	deltafH		-92.07		kcal/mol
+	-analytic	-8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
+#	Range		0-350
+	-Vm		13.221
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Margarite
+	CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
+	log_k		41.0658
+	-delta_H	-522.192	kJ/mol
+#	deltafH		-1485.8		kcal/mol
+	-analytic	-2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
+#	Range		0-350
+	-Vm		129.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C
+
+Maximum_Microcline
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
+#	Range		0-350
+	-Vm		108.741
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mayenite
+	Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
+	log_k		494.2199
+	-delta_H	-4056.77	kJ/mol
+#	deltafH		-4644		kcal/mol
+	-analytic	-1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
+#	Range		0-200
+	-Vm		517.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Melanterite
+	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+	log_k		-2.3490
+	-delta_H	11.7509		kJ/mol
+#	deltafH		-3014.48	kJ/mol
+	-analytic	-2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
+#	Range		0-300
+	-Vm		146.48 # Marion+08
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Merwinite
+	MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
+	log_k		68.5140
+	-delta_H	-430.069	kJ/mol
+#	deltafH		-1090.8		kcal/mol
+	-analytic	-2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
+#	Range		0-350
+	-Vm		104.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mg
+	Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
+	log_k		122.5365
+	-delta_H	-745.731	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
+#	Range		0-300
+	-Vm		13.996 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+MgOHCl
+	MgOHCl + H+ = Cl- + H2O + Mg+2
+	log_k		15.9138
+	-delta_H	-118.897	kJ/mol
+#	deltafH		-191.2		kcal/mol
+	-analytic	-1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
+#	Range		0-300
+	-Vm		33.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+MgSO4
+	MgSO4 = Mg+2 + SO4-2
+	log_k		4.8781
+	-delta_H	-90.6421	kJ/mol
+#	deltafH		-1284.92	kJ/mol
+	-analytic	-2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
+#	Range		0-300
+	-Vm		45.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Millerite
+	NiS + H+ = HS- + Ni+2
+	log_k		-8.0345
+	-delta_H	12.089		kJ/mol
+#	deltafH		-82.171		kJ/mol
+	-analytic	-1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
+#	Range		0-300
+	-Vm		16.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Minnesotaite
+	Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
+	log_k		13.9805
+	-delta_H	-105.211	kJ/mol
+#	deltafH		-1153.37	kcal/mol
+	-analytic	-1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
+#	Range		0-300
+	-Vm		147.86 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C
+
+Mirabilite
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	log_k		-1.1398
+	-delta_H	79.4128		kJ/mol
+#	deltafH		-4328		kJ/mol
+	-analytic	-2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
+#	Range		0-200
+	-Vm		219.80 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Mn
+	Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
+	log_k		82.9505
+	-delta_H	-500.369	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
+#	Range		0-300
+	-Vm		7.354 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mn(OH)2(am)
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	log_k		15.3102
+	-delta_H	-97.1779	kJ/mol
+#	deltafH		-695.096	kJ/mol
+	-analytic	-7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
+#	Range		0-200
+	-Vm		22.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:2H2O
+	MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
+	log_k		4.0067
+	-delta_H	-34.4222	kJ/mol
+#	deltafH		-1092.01	kJ/mol
+	-analytic	-6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
+#	Range		0-200
+	-Vm		71.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:4H2O
+	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+	log_k		2.7563
+	-delta_H	-10.7019	kJ/mol
+#	deltafH		-1687.41	kJ/mol
+	-analytic	-1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
+#	Range		0-200
+	-Vm		98.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:H2O
+	MnCl2:H2O = H2O + Mn+2 + 2 Cl-
+	log_k		5.5517
+	-delta_H	-50.8019	kJ/mol
+#	deltafH		-789.793	kJ/mol
+	-analytic	-4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
+#	Range		0-200
+	-Vm		42.27 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnSO4
+	MnSO4 = Mn+2 + SO4-2
+	log_k		2.6561
+	-delta_H	-64.8718	kJ/mol
+#	deltafH		-1065.33	kJ/mol
+	-analytic	-2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
+#	Range		0-300
+	-Vm		46.46 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mo
+	Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
+	log_k		109.3230
+	-delta_H	-693.845	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
+#	Range		0-300
+	-Vm		9.387 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Molysite
+	FeCl3 = Fe+3 + 3 Cl-
+	log_k		13.5517
+	-delta_H	-151.579	kJ/mol
+#	deltafH		-399.24		kJ/mol
+	-analytic	-3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
+#	Range		0-300
+	-Vm		55.86 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Monohydrocalcite
+	CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
+	log_k		2.6824
+	-delta_H	-20.5648	kJ/mol
+#	deltafH		-1498.29	kJ/mol
+	-analytic	-7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
+#	Range		0-200
+	-Vm		49.62 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Monticellite
+	CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
+	log_k		29.5852
+	-delta_H	-195.711	kJ/mol
+#	deltafH		-540.8		kcal/mol
+	-analytic	1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
+#	Range		0-300
+	-Vm		51.47
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Montmor-Ca
+	Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4952
+	-delta_H	-100.154	kJ/mol
+#	deltafH		-1361.5		kcal/mol
+	-analytic	2.459e1	-9.080e-2 0 0 0 5.223e-5
+#	Range		0-300
+	-Vm		136.007
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-K
+	K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.1423
+	-delta_H	-88.184		kJ/mol
+#	deltafH		-1362.83	kcal/mol
+	-analytic	2.022e1	-7.624e-2 0 0 0	4.102e-5
+#	Range		0-300
+	-Vm		140.140
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Mg
+	Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.3879
+	-delta_H	-102.608	kJ/mol
+#	deltafH		-1357.87	kcal/mol
+	-analytic	2.381e1 -9.031e-2 0 0 0 5.203e-5
+#	Range		0-300
+	-Vm		135.042
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Na
+	Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4844
+	-delta_H	-93.2165	kJ/mol
+#	deltafH		-1360.69	kcal/mol
+	-analytic	2.348e1	-8.604e-2 0 0 0 4.951e-5
+#	Range		0-300
+	-Vm		137.449
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C
+
+Morenosite
+	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+	log_k		-2.0140
+	-delta_H	12.0185		kJ/mol
+#	deltafH		-2976.46	kJ/mol
+	-analytic	-2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
+#	Range		0-300
+	-Vm		144.17 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Muscovite
+	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		13.5858
+	-delta_H	-243.224	kJ/mol
+#	deltafH		-1427.41	kcal/mol
+	-analytic	3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
+#	Range		0-350
+	-Vm		140.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na
+	Na + H+ + 0.25 O2 = 0.5 H2O + Na+
+	log_k		67.3804
+	-delta_H	-380.185	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
+#	Range		0-300
+	-Vm		23.812 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Na2CO3
+	Na2CO3 + H+ = HCO3- + 2 Na+
+	log_k		11.1822
+	-delta_H	-39.8526	kJ/mol
+#	deltafH		-1130.68	kJ/mol
+	-analytic	-1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
+#	Range		0-300
+	-Vm		41.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Na2CO3:7H2O
+	Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
+	log_k		9.9459
+	-delta_H	27.7881		kJ/mol
+#	deltafH		-3199.19	kJ/mol
+	-analytic	-2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
+#	Range		0-200
+	-Vm		153.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Na2Cr2O7
+	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
+	log_k		-10.1597
+	-delta_H	21.9702		kJ/mol
+#	deltafH		-473		kcal/mol
+	-analytic	4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
+#	Range		0-200
+	-Vm		103.96 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2CrO4
+	Na2CrO4 = CrO4-2 + 2 Na+
+	log_k		2.9103
+	-delta_H	-19.5225	kJ/mol
+#	deltafH		-320.8		kcal/mol
+	-analytic	5.4985 -9.9008e-3 1.0510e2
+#	Range		0-200
+	-Vm		59.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2O
+	Na2O + 2 H+ = H2O + 2 Na+
+	log_k		67.4269
+	-delta_H	-351.636	kJ/mol
+#	deltafH		-99.14		kcal/mol
+	-analytic	-6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
+#	Range		0-350
+	-Vm		25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na2SiO3
+	Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
+	log_k		22.2418
+	-delta_H	-82.7093	kJ/mol
+#	deltafH		-373.19		kcal/mol
+	-analytic	-3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
+#	Range		0-300
+	-Vm		50.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Na2U2O7
+	Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
+	log_k		22.5917
+	-delta_H	-172.314	kJ/mol
+#	deltafH		-3203.8		kJ/mol
+	-analytic	-8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
+#	Range		0-300
+	-Vm		95.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+NaFeO2
+	NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
+	log_k		19.8899
+	-delta_H	-163.339	kJ/mol
+#	deltafH		-698.218	kJ/mol
+	-analytic	-7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
+#	Range		0-200
+	-Vm		33.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NaUO3
+	NaUO3 + 2 H+ = H2O + Na+ + UO2+
+	log_k		8.3371
+	-delta_H	-56.365		kJ/mol
+#	deltafH		-1494.9		kJ/mol
+	-analytic	-3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
+#	Range		0-300
+	-Vm		42.56 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Nahcolite
+	NaHCO3 = HCO3- + Na+
+	log_k		-0.1118
+	-delta_H	17.0247		kJ/mol
+#	deltafH		-226.4		kcal/mol
+	-analytic	-2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
+#	Range		0-300
+	-Vm		38.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Nantokite
+	CuCl = Cl- + Cu+
+	log_k	-6.7623
+	-delta_H	41.9296		kJ/mol
+#	deltafH		-137.329	kJ/mol
+	-analytic	-2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
+#	Range		0-200
+	-Vm		23.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Natron
+	Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
+	log_k		9.6102
+	-delta_H	50.4781		kJ/mol
+#	deltafH		-4079.39	kJ/mol
+	-analytic	-1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
+#	Range		0-300
+	-Vm		195.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Natrosilite
+	Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
+	log_k		18.1337
+	-delta_H	-51.7686	kJ/mol
+#	deltafH		-590.36		kcal/mol
+	-analytic	-2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
+#	Range		0-300
+	-Vm		72.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Nepheline
+	NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
+	log_k		13.8006
+	-delta_H	-135.068	kJ/mol
+#	deltafH		-500.241	kcal/mol
+	-analytic	-2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
+#	Range		0-350
+	-Vm		54.16
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Nesquehonite
+	MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
+	log_k		4.9955
+	-delta_H	-36.1498	kJ/mol
+#	deltafH		-472.576	kcal/mol
+	-analytic	1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
+#	Range		0-50
+	-Vm		74.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+NH4Cl 
+	NH4Cl = NH4+ + Cl-
+	log_k		1.3252
+	-analytic	-3.078 1.550e-2 0 0 0 -3.451e-6  
+#	Range		0-30
+	-Vm		34.96
+#	Extrapol	Marion+12
+#	Ref		Marion+12, WangLi11 match 
+
+NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
+	NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
+	log_k		-2.7243
+	-analytic	-7.434e1 3.080e-1 0 0 0 -2.270e-4
+#	Range		25-325
+	-Vm		114.78 # Webmineral.com (Hovis04: 109.08-112.23)
+#	Extrapol	N17
+#	Ref		Wat81
+
+NH4HCO3
+	NH4HCO3 = NH4+ + HCO3-
+	log_k		-0.0207
+	-analytic	-1.587e1 9.703e-2 0 0 0 -1.472e-4
+#	Range		0-40
+	-Vm		50.04
+#	Extrapol	Marion+12
+#	Ref		Marion+12
+
+NH4-muscovite # Tobelite
+	NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		6.8109
+	-analytical	-6.638e1 3.170e-1 0 0 0 -2.386e-4
+#	Range		25-325
+	-Vm		146.07 # Hovis04
+#	Extrapol	N17
+#	Ref		Wat81
+
+Ni
+	Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
+	log_k		50.9914
+	-delta_H	-333.745	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
+#	Range		0-350
+	-Vm		6.588
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ni(OH)2
+	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+	log_k		12.7485
+	-delta_H	-95.6523	kJ/mol
+#	deltafH		-529.998	kJ/mol
+	-analytic	-6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
+#	Range		0-200
+	-Vm		22.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ni2SiO4
+	Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
+	log_k		14.3416
+	-delta_H	-127.629	kJ/mol
+#	deltafH		-341.705	kcal/mol
+	-analytic	-4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
+#	Range		0-300
+	-Vm		42.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+NiCl2
+	NiCl2 = Ni+2 + 2 Cl-
+	log_k		8.6113
+	-delta_H	-82.7969	kJ/mol
+#	deltafH		-305.336	kJ/mol
+	-analytic	-1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
+#	Range		0-200
+	-Vm		36.70 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiCl2:2H2O
+	NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
+	log_k		3.9327
+	-delta_H	-37.6746	kJ/mol
+#	deltafH		-922.135	kJ/mol
+	-analytic	-4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
+#	Range		0-200
+	-Vm		64.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiSO4
+	NiSO4 = Ni+2 + SO4-2
+	log_k		5.3197
+	-delta_H	-90.5092	kJ/mol
+#	deltafH		-873.066	kJ/mol
+	-analytic	-1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
+#	Range		0-300
+	-Vm		42.05 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+NiSO4:6H2O(alpha)
+	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+	log_k		-2.0072
+	-delta_H	4.37983		kJ/mol
+#	deltafH		-2682.99	kJ/mol
+	-analytic	-1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
+#	Range		0-200
+	-Vm		126.6 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Nickelbischofite
+	NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
+	log_k		3.1681
+	-delta_H	0.064088	kJ/mol
+#	deltafH		-2103.23	kJ/mol
+	-analytic	-1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
+#	Range		0-200
+	-Vm		123.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ningyoite
+	CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
+	log_k		-29.7931
+	-delta_H	-36.4769	kJ/mol
+#	deltafH		-1016.65	kcal/mol
+	-analytic	-1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
+#	Range		0-200
+	-Vm		116.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Niter
+	KNO3 = K+ + NO3-
+	log_k		-0.2061
+	-delta_H	35.4794		kJ/mol
+#	deltafH		-494.46		kJ/mol
+	-analytic	-6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
+#	Range		0-300
+	-Vm		48.04 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Nontronite-Ca
+	Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5822
+	-delta_H	-38.138		kJ/mol
+#	deltafH		-1166.7		kcal/mol
+	-analytic	3.697 -4.892e-2 0 0 0 1.489e-5
+#	Range		0-300
+	-Vm		137.780
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C
+
+Nontronite-K
+	K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.8648
+	-delta_H	-26.5822	kJ/mol
+#	deltafH		-1167.93	kcal/mol
+	-analytic	-1.959 -3.115e-2 0 0 0 1.139e-6
+#	Range		0-300
+	-Vm		141.913
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C
+
+Nontronite-Mg
+	Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.6200
+	-delta_H	-41.1779	kJ/mol
+#	deltafH		-1162.93	kcal/mol
+	-analytic	2.476 -4.730e-2 0 0 0 1.382e-5
+#	Range		0-300
+	-Vm		136.815
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol
+
+Nontronite-Na
+	Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5263
+	-delta_H	-31.5687	kJ/mol
+#	deltafH		-1165.8		kcal/mol
+	-analytic	1.106 -4.045e-2 0 0 0 9.229e-6
+#	Range		0-300
+	-Vm		139.221
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C
+
+Okenite
+	CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
+	log_k		10.3816
+	-delta_H	-19.4974	kJ/mol
+#	deltafH		-749.641	kcal/mol
+	-analytic	-7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
+#	Range		0-300
+	-Vm		94.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+P
+	P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
+	log_k		132.1032
+	-delta_H	-848.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
+#	Range		0-300
+	-Vm		17.2 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Paragonite
+	NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		17.5220
+	-delta_H	-275.056	kJ/mol
+#	deltafH		-1416.96	kcal/mol
+	-analytic	3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
+#	Range		0-350
+	-Vm		132.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06
+
+Pargasite
+	NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
+	log_k		101.9939
+	-delta_H	-880.205	kJ/mol
+#	deltafH		-3016.62	kcal/mol
+	-analytic	-6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
+#	Range		0-350
+	-Vm		273.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Periclase
+	MgO + 2 H+ = H2O + Mg+2
+	log_k		21.3354
+	-delta_H	-150.139	kJ/mol
+#	deltafH		-143.8		kcal/mol
+	-analytic	-8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
+#	Range		0-350
+	-Vm		11.248
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Petalite
+	LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
+	log_k		-3.8153
+	-delta_H	-13.1739	kJ/mol
+#	deltafH		-4886.15	kJ/mol
+	-analytic	-6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
+#	Range		0-300
+	-Vm		128.4 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Phlogopite
+	KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
+	log_k		37.4400
+	-delta_H	-310.503	kJ/mol
+#	deltafH		-1488.07	kcal/mol
+	-analytic	-8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
+#	Range		0-350
+	-Vm		149.66
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Polydymite
+	Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
+	log_k		-48.9062
+#	deltafH		-78.014		kcal/mol
+	-analytic	-1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
+#	Range		0-200
+	-Vm		64.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Portlandite
+	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+	log_k		22.5552
+	-delta_H	-128.686	kJ/mol
+#	deltafH		-986.074	kJ/mol
+	-analytic	-8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
+#	Range		0-300
+	-Vm		33.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Prehnite
+	Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		32.9305
+	-delta_H	-311.875	kJ/mol
+#	deltafH		-1481.65	kcal/mol
+	-analytic	-3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
+#	Range		0-350
+	-Vm		140.33
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pseudowollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.9997
+	-delta_H	-79.4625	kJ/mol
+#	deltafH		-388.9		kcal/mol
+	-analytic	2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
+#	Range		0-300
+	-Vm		40.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Pyridine
+	C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
+	log_k		490.7474
+	-delta_H	-669.9574	kcal/mol
+	-analytic	1071.04 -2.50773 0 0 0 0.00188
+#	Range		0-350
+	-Vm		64.4
+#	Extrapol	supcrt92
+#	Ref		Hel+98
+
+Pyrite
+	FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
+	log_k		-24.6534
+	-delta_H	109.535		kJ/mol
+#	deltafH		-41		kcal/mol
+	-analytic	-2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
+#	Range		0-350
+	-Vm		23.94
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pyrolusite
+	MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
+	log_k		-17.6439
+	-delta_H	83.3804		kJ/mol
+#	deltafH		-520.031	kJ/mol
+	-analytic	-1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
+#	Range		0-300
+	-Vm		18.38 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Pyrophyllite
+	Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
+	log_k		0.4397
+	-delta_H	-102.161	kJ/mol
+#	deltafH		-1345.31	kcal/mol
+	-analytic	1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
+#	Range		0-350
+	-Vm		126.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Pyrrhotite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.7193
+	-delta_H	-7.9496		kJ/mol
+#	deltafH		-24		kcal/mol
+	-analytic	-1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
+#	Range		0-350
+	-Vm		18.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Quartz
+	SiO2 = SiO2
+	log_k		-3.9993
+	-delta_H	32.949		kJ/mol
+#	deltafH		-217.65		kcal/mol
+	-analytic	7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rankinite
+	Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
+	log_k		51.9078
+	-delta_H	-302.089	kJ/mol
+#	deltafH		-941.7		kcal/mol
+	-analytic	-9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
+#	Range		0-300
+	-Vm		96.13 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Rhodochrosite
+	MnCO3 + H+ = HCO3- + Mn+2
+	log_k		-0.1928
+	-delta_H	-21.3426	kJ/mol
+#	deltafH		-212.521	kcal/mol
+	-analytic	-1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
+#	Range		0-350
+	-Vm		31.075
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rhodonite
+	MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
+	log_k		9.7301
+	-delta_H	-64.7121	kJ/mol
+#	deltafH		-1319.42	kJ/mol
+	-analytic	2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
+#	Range		0-300
+	-Vm		35.87 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ripidolite
+	Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
+	log_k		60.9638
+	-delta_H	-572.472	kJ/mol
+#	deltafH		-1947.87	kcal/mol
+	-analytic	2.122e2 -6.025e-1 0 0 0 4.579e-4
+#	Range		0-300
+	-Vm		208.614
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Rutherfordine
+	UO2CO3 + H+ = HCO3- + UO2+2
+	log_k		-4.1064
+	-delta_H	-19.4032	kJ/mol
+#	deltafH		-1689.53	kJ/mol
+	-analytic	-8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
+#	Range		0-300
+	-Vm		57.90 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Rutile
+	TiO2 + 2 H2O = Ti(OH)4
+	log_k		-9.6452
+#	deltafH		-226.107	kcal/mol
+	-Vm		18.82
+#	Ref		RHF79
+
+S
+	S + H2O = 0.5 O2 + H+ + HS-
+	log_k		-45.0980
+	-delta_H	263.663		kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
+#	Range		0-300
+	-Vm		15.511 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Saleeite
+	Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-19.4575
+	-delta_H	-110.816	kJ/mol
+#	deltafH		-1189.61	kcal/mol
+	-analytic	-6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
+#	Range		0-200
+	-Vm		285.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Sanidine_high
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		0.9239
+	-delta_H	-35.0284	kJ/mol
+#	deltafH		-946.538	kcal/mol
+	-analytic	-3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
+#	Range		0-350
+	-Vm		109.008
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Saponite-Fe-Ca
+	Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		20.3624
+	-analytic	5.992e1 -1.681e-1 0 0 0 1.174e-4
+#	Range		0-300
+	-Vm		143.506
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Fe
+	Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.9359
+	-analytic	5.762e1 -1.630e-1 0 0 0 1.099e-4
+#	Range		0-300
+	-Vm		142.672
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-K
+	K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.7937
+	-analytic	5.427e1 -1.504e-1 0 0 0 1.037e-4
+#	Range		0-300
+	-Vm		147.639
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Mg
+	Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.5290
+	-analytic	5.870e1 -1.665e-1 0 0 0 1.163e-4
+#	Range		0-300
+	-Vm		142.541
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Na
+	Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.7977
+	-analytic	5.733e1 -1.597e-1 0 0 0 1.117e-4
+#	Range		0-300
+	-Vm		144.947
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-Ca
+	Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2900
+	-delta_H	-207.971	kJ/mol
+#	deltafH		-1436.51	kcal/mol
+	-analytic	8.088e1 -2.233e-1 0 0 0 1.655e-4
+#	Range		0-300
+	-Vm		141.250
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol match
+
+Saponite-Mg-Fe
+	Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		27.6789
+	-analytic	7.825e1 -2.180e-1 0 0 0 1.612e-4
+#	Range		0-300
+	-Vm		140.416
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-K
+	K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.0075
+	-delta_H	-196.402	kJ/mol
+#	deltafH		-1437.74	kcal/mol
+	-analytic	7.522e1 -2.055e-1 0 0 0 1.517e-4
+#	Range		0-300
+	-Vm		145.383
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C
+
+Saponite-Mg-Mg
+	Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2523
+	-delta_H	-210.822	kJ/mol
+#	deltafH		-1432.79	kcal/mol
+	-analytic	7.965e1 -2.217e-1 0 0 0 1.644e-4
+#	Range		0-300
+	-Vm		140.285
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C
+
+Saponite-Mg-Na
+	Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.3459
+	-delta_H	-201.401	kJ/mol
+#	deltafH		-1435.61	kcal/mol
+	-analytic	7.829e1 -2.148e-1 0 0 0 1.598e-4
+#	Range		0-300
+	-Vm		142.691
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C
+
+Sc
+	Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
+	log_k		167.2700
+	-delta_H	-1033.87	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
+#	Range		0-300
+	-Vm		15.038 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Scacchite
+	MnCl2 = Mn+2 + 2 Cl-
+	log_k		8.7785
+	-delta_H	-73.4546	kJ/mol
+#	deltafH		-481.302	kJ/mol
+	-analytic	-2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
+#	Range		0-300
+	-Vm		42.27 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Schoepite
+	UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
+	log_k		4.8333
+	-delta_H	-50.415		kJ/mol
+#	deltafH		-1826.1		kJ/mol
+	-analytic	1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
+#	Range		0-300
+	-Vm		66.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Sepiolite
+	Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
+	log_k		30.4439
+	-delta_H	-157.339	kJ/mol
+#	deltafH		-2418		kcal/mol
+	-analytic	1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
+#	Range		0-350
+	-Vm		285.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Si
+	Si + O2 = SiO2
+	log_k		148.9059
+	-delta_H	-865.565	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
+#	Range		0-300
+	-Vm		12.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Sillimanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		16.3080
+	-delta_H	-238.442	kJ/mol
+#	deltafH		-615.099	kcal/mol
+	-analytic	-7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
+#	Range		0-350
+	-Vm		49.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+SiO2(am)
+	SiO2 = SiO2
+        log_k		-2.7136
+	-delta_H	20.0539		kJ/mol
+#	deltafH		-214.568	kcal/mol
+	-analytic	1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
+#	Range		0-325
+	-Vm		29
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sm
+	Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
+	log_k		133.1614
+	-delta_H	-783.944	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
+#	Range		0-300
+	-Vm		19.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Smectite-high-Fe-Mg
+        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O 
+	log_k		17.4200
+	-delta_H	-199.841	kJ/mol
+#	deltafH		-1351.39	kcal/mol
+	-analytic	-9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
+#	Range		0-300
+	-Vm		139.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smectite-low-Fe-Mg
+        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O 
+	log_k		11.0405
+	-delta_H	-144.774	kJ/mol
+#	deltafH		-1352.12	kcal/mol
+	-analytic	-1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
+#	Range		0-300
+	-Vm		139.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smithsonite
+	ZnCO3 + H+ = HCO3- + Zn+2
+	log_k		0.4633
+	-delta_H	-30.5348	kJ/mol
+#	deltafH		-194.26		kcal/mol
+	-analytic	-1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
+#	Range		0-350
+	-Vm		28.275
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sphaerocobaltite
+	CoCO3 + H+ = Co+2 + HCO3-
+	log_k		-0.2331
+	-delta_H	-30.7064	kJ/mol
+#	deltafH		-171.459	kcal/mol
+	-analytic	-1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
+#	Range		0-300
+	-Vm		28.8 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		84sve
+
+Sphalerite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-11.4400
+	-delta_H	35.5222		kJ/mol
+#	deltafH		-49		kcal/mol
+	-analytic	-1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
+#	Range		0-350
+	-Vm		23.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel
+	Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+	log_k		37.6295
+	-delta_H	-398.108	kJ/mol
+#	deltafH		-546.847	kcal/mol
+	-analytic	-3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
+#	Range		0-350
+	-Vm		39.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel-Co
+	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
+	log_k		-6.4852
+	-delta_H	-126.415	kJ/mol
+#	deltafH		-891		kJ/mol
+	-analytic	-3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
+#	Range		0-300
+	-Vm		39.41 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Spodumene
+	LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
+	log_k		6.9972
+	-delta_H	-89.1817	kJ/mol
+#	deltafH		-3054.75	kJ/mol
+	-analytic	-9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
+#	Range		0-300
+	-Vm		58.37 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Stilbite
+	Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
+	log_k		1.0545
+	-delta_H	-83.0019	kJ/mol
+#	deltafH		-11005.7	kJ/mol
+	-analytic	-2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
+#	Range		0-300
+	-Vm		333.50 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		90how/joh
+
+Strengite
+	FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
+	log_k		-11.3429
+	-delta_H	-37.107		kJ/mol
+#	deltafH		-1876.23	kJ/mol
+	-analytic	-2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
+#	Range		0-300
+	-Vm		65.10 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Sylvite
+	KCl = Cl- + K+
+	log_k		0.8459
+	-delta_H	17.4347		kJ/mol
+#	deltafH		-104.37		kcal/mol
+	-analytic	-8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
+#	Range		0-350
+	-Vm		37.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Talc
+	Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
+	log_k		21.1383
+	-delta_H	-148.737	kJ/mol
+#	deltafH		-1410.92	kcal/mol
+	-analytic	1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
+#	Range		0-350
+	-Vm		136.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Tarapacaite
+	K2CrO4 = CrO4-2 + 2 K+
+	log_k		-0.4037
+	-delta_H	17.8238		kJ/mol
+#	deltafH		-335.4		kcal/mol
+	-analytic	2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
+#	Range		0-200
+	-Vm		70.87 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Tenorite
+	CuO + 2 H+ = Cu+2 + H2O
+	log_k		7.6560
+	-delta_H	-64.5047	kJ/mol
+#	deltafH		-37.2		kcal/mol
+	-analytic	-8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
+#	Range		0-350
+	-Vm		12.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Tephroite
+	Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
+	log_k		23.0781
+	-delta_H	-160.1		kJ/mol
+#	deltafH		-1730.47	kJ/mol
+	-analytic	-3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
+#	Range		0-300
+	-Vm		47.52 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th
+	Th + 4 H+ + O2 = Th+4 + 2 H2O
+	log_k		209.6028
+	-delta_H	-1328.56	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
+#	Range		0-300
+	-Vm		19.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Th(NO3)4:5H2O
+	Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
+	log_k		1.7789
+	-delta_H	-18.1066	kJ/mol
+#	deltafH		-3007.35	kJ/mol
+	-analytic	-1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
+#	Range		0-200
+	-Vm		203.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th(SO4)2
+	Th(SO4)2 = Th+4 + 2 SO4-2
+	log_k		-20.3006
+	-delta_H	-46.1064	kJ/mol
+#	deltafH		-2542.12	kJ/mol
+	-analytic	-8.4525 -3.5442e-2 0 0 -1.1540e5
+#	Range		0-200
+	-Vm		100.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th2S3
+	Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
+	log_k		95.2290
+	-delta_H	-783.243	kJ/mol
+#	deltafH		-1082.89	kJ/mol
+	-analytic	-3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
+#	Range		0-300
+	-Vm		71.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th7S12
+	Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
+	log_k		204.0740
+	-delta_H	-1999.4		kJ/mol
+#	deltafH		-4136.58	kJ/mol
+	-analytic	-2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
+#	Range		0-200
+	-Vm		248.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ThCl4
+	ThCl4 = Th+4 + 4 Cl-
+	log_k		23.8491
+	-delta_H	-251.094	kJ/mol
+#	deltafH		-283.519	kcal/mol
+	-analytic	-5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
+#	Range		0-200
+	-Vm		81.45 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		80lan/her
+
+ThS2
+	ThS2 + 2 H+ = Th+4 + 2 HS-
+	log_k		10.7872
+	-delta_H	-175.369	kJ/mol
+#	deltafH		-625.867	kJ/mol
+	-analytic	-3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
+#	Range		0-200
+	-Vm		40.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Thenardite
+	Na2SO4 = SO4-2 + 2 Na+
+	log_k		-0.3091
+	-delta_H	-2.33394	kJ/mol
+#	deltafH		-1387.87	kJ/mol
+	-analytic	-2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
+#	Range		0-300
+	-Vm		53.33 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Thermonatrite
+	Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
+	log_k		10.9623
+	-delta_H	-27.5869	kJ/mol
+#	deltafH		-1428.78	kJ/mol
+	-analytic	-1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
+#	Range		0-300
+	-Vm		54.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Thorianite
+	ThO2 + 4 H+ = Th+4 + 2 H2O
+	log_k		1.8624
+	-delta_H	-114.296	kJ/mol
+#	deltafH		-1226.4		kJ/mol
+	-analytic	-1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
+#	Range		0-300
+	-Vm		26.373 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ti
+	Ti + 2 H2O + O2 = Ti(OH)4
+	log_k		149.2978
+#	deltafH		0		kJ/mol
+	-Vm		10.631 # thermo.com.V8.R6+.tdat
+#	Ref		CWM89
+
+Ti2O3
+	Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
+	log_k		42.9866
+#	deltafH		-1520.78	kJ/mol
+	-Vm		32.02 # gfw/density
+#	Ref		WEP+82
+
+Ti3O5
+	Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
+	log_k		34.6557
+#	deltafH		-2459.24	kJ/mol
+	-Vm		48.93 # gfw/density
+#	Ref		WEP+82
+
+TiB2
+	TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
+	log_k		312.4194
+#	deltafH		-323.883	kJ/mol
+	-Vm		15.37 # gfw/density
+#	Ref		WEP+82
+
+TiC
+	TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
+	log_k		181.8139
+#	deltafH		-184.346	kJ/mol
+	-Vm		12.15 # gfw/density
+#	Ref		WEP+82
+
+TiCl2
+	TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
+	log_k		70.9386
+#	deltafH		-514.012	kJ/mol
+	-Vm		37.95 # gfw/density
+#	Ref		WEP+82
+
+TiCl3
+	TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
+	log_k		39.3099
+#	deltafH		-720.775	kJ/mol
+	-Vm		58.42 # gfw/density
+#	Ref		WEP+82
+
+TiN
+	TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
+	log_k		35.2344
+#	deltafH		-338.304	kJ/mol
+	-Vm		11.46 # gfw/density
+#	Ref		WEP+82
+
+Titanite
+	CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
+	log_k		719.5839
+#	deltafH		0		kcal/mol
+	-Vm		55.65
+#	Ref		RHF79
+
+Tobermorite-11A
+	Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
+	log_k		65.6121
+	-delta_H	-286.861	kJ/mol
+#	deltafH		-2556.42	kcal/mol
+	-analytic	7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
+#	Range		0-300
+	-Vm		286.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Tremolite
+	Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
+	log_k		61.2367
+	-delta_H	-406.404	kJ/mol
+#	deltafH		-2944.04	kcal/mol
+	-analytic	8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
+#	Range		0-350
+	-Vm		272.92
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Trevorite
+	NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
+	log_k		9.7876
+	-delta_H	-215.338	kJ/mol
+#	deltafH		-1081.15	kJ/mol
+	-analytic	-1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
+#	Range		0-200
+	-Vm		44.89 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Tridymite
+	SiO2 = SiO2
+	log_k		-3.8278
+	-delta_H	31.3664		kJ/mol
+#	deltafH		-909.065	kJ/mol
+	-analytic	3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
+#	Range		0-200
+	-Vm		26.12 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Troilite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.8184
+	-delta_H	-7.3296		kJ/mol
+#	deltafH		-101.036	kJ/mol
+	-analytic	-1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
+#	Range		0-300
+	-Vm		19.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+U
+	U + 2 H+ + 1.5 O2 = H2O + UO2+2
+	log_k		212.7800
+	-delta_H	-1286.64	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
+#	Range		0-300
+	-Vm		12.49 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+U2O2Cl5
+	U2O2Cl5 = U+4 + UO2+ + 5 Cl-
+	log_k		19.2752
+	-delta_H	-254.325	kJ/mol
+#	deltafH		-2197.4		kJ/mol
+	-analytic	-4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
+#	Range		0-300
+	-Vm		142.48 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+U3S5
+	U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
+	log_k		-0.3680
+	-delta_H	-218.942	kJ/mol
+#	deltafH		-1431		kJ/mol
+	-analytic	-1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
+#	Range		0-200
+	-Vm		106.12 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UC
+	UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
+	log_k		194.8241
+	-delta_H	-1202.82	kJ/mol
+#	deltafH		-97.9		kJ/mol
+	-analytic	-4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
+#	Range		0-300
+	-Vm		18.34 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl3
+	UCl3 = U+3 + 3 Cl-
+	log_k		13.0062
+	-delta_H	-126.639	kJ/mol
+#	deltafH		-863.7		kJ/mol
+	-analytic	-2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
+#	Range		0-300
+	-Vm		62.62 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl4
+	UCl4 = U+4 + 4 Cl-
+	log_k		21.9769
+	-delta_H	-240.719	kJ/mol
+#	deltafH		-1018.8		kJ/mol
+	-analytic	-3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
+#	Range		0-300
+	-Vm		78.00 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl6
+	UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
+	log_k		57.5888
+	-delta_H	-383.301	kJ/mol
+#	deltafH		-1066.5		kJ/mol
+	-analytic	-4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
+#	Range		0-300
+	-Vm		125.21 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UH3(beta)
+	UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
+	log_k		199.7683
+	-delta_H	-1201.43	kJ/mol
+#	deltafH		-126.98		kJ/mol
+	-analytic	5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
+#	Range		0-200
+	-Vm		22.01 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UN
+	UN + 3 H+ = NH3 + U+3
+	log_k		41.7130
+	-delta_H	-280.437	kJ/mol
+#	deltafH		-290		kJ/mol
+	-analytic	-1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
+#	Range		0-300
+	-Vm		45.85 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(NO3)2
+	UO2(NO3)2 = UO2+2 + 2 NO3-
+	log_k		11.9598
+	-delta_H	-81.6219	kJ/mol
+#	deltafH		-1351		kJ/mol
+	-analytic	-1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
+#	Range		0-200
+	-Vm		140.23 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO2(NO3)2:6H2O
+	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+	log_k		2.3189
+	-delta_H	19.8482		kJ/mol
+#	deltafH		-3167.5		kJ/mol
+	-analytic	-1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
+#	Range		0-300
+	-Vm		178.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(OH)2(beta)
+	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+	log_k		4.9457
+	-delta_H	-56.8767	kJ/mol
+#	deltafH		-1533.8		kJ/mol
+	-analytic	-1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
+#	Range		0-300
+	-Vm		51.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4
+	UO2SO4 = SO4-2 + UO2+2
+	log_k		1.9681
+	-delta_H	-83.4616	kJ/mol
+#	deltafH		-1845.14	kJ/mol
+	-analytic	-1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
+#	Range		0-300
+	-Vm		111.61 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4:3H2O
+	UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
+	log_k		-1.4028
+	-delta_H	-34.6176	kJ/mol
+#	deltafH		-2751.5		kJ/mol
+	-analytic	-5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
+#	Range		0-200
+	-Vm		108.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO3(beta)
+	UO3 + 2 H+ = H2O + UO2+2
+	log_k		8.3095
+	-delta_H	-84.5383	kJ/mol
+#	deltafH		-1220.3		kJ/mol
+	-analytic	-1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
+#	Range		0-300
+	-Vm		34.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+Uraninite
+	UO2 + 4 H+ = U+4 + 2 H2O
+	log_k		-4.8372
+	-delta_H	-77.8767	kJ/mol
+#	deltafH		-1085		kJ/mol
+	-analytic	-7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
+#	Range		0-325
+	-Vm		24.638
+#	Extrapol	Cp integration
+#	Ref		CWM89, SSB97 match
+
+Vaesite
+	NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
+	log_k		-26.7622
+	-delta_H	110.443		kJ/mol
+#	deltafH		-32.067		kcal/mol
+	-analytic	1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
+#	Range		0-200
+	-Vm		27.697 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Wollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.7605
+	-delta_H	-76.5756	kJ/mol
+#	deltafH		-389.59		kcal/mol
+	-analytic	3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
+#	Range		0-350
+	-Vm		39.93
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wurtzite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-9.1406
+	-delta_H	22.3426		kJ/mol
+#	deltafH		-45.85		kcal/mol
+	-analytic	-1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
+#	Range		0-350
+	-Vm		23.846
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wustite
+	Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
+	log_k		12.4113
+	-delta_H	-102.417	kJ/mol
+#	deltafH		-266.265	kJ/mol
+	-analytic	-7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
+#	Range		0-300
+	-Vm		12.04 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Xonotlite
+	Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
+	log_k		91.8267
+	-delta_H	-495.457	kJ/mol
+#	deltafH		-2397.25	kcal/mol
+	-analytic	1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
+#	Range		0-200
+	-Vm		264.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Zincite
+	ZnO + 2 H+ = H2O + Zn+2
+	log_k		11.2087
+	-delta_H	-88.7638	kJ/mol
+#	deltafH		-350.46		kJ/mol
+	-analytic	-8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
+#	Range		0-350
+	-Vm		14.338
+#	Extrapol	supcrt92, Cp integration
+#	Ref		SSW+97, CWM89 match
+
+Zn
+	Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
+	log_k		68.8035
+	-delta_H	-433.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
+#	Range		0-300
+	-Vm		9.162 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Zn(NO3)2:6H2O
+	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+	log_k		3.4102
+	-delta_H	24.7577		kJ/mol
+#	deltafH		-2306.8		kJ/mol
+	-analytic	-1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
+#	Range		0-200
+	-Vm		144.06 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(beta)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.9341
+	-delta_H	-83.2111	kJ/mol
+#	deltafH		-641.851	kJ/mol
+	-analytic	-7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(epsilon)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.6625
+	-delta_H	-81.7811	kJ/mol
+#	deltafH		-643.281	kJ/mol
+	-analytic	-7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn2SiO4
+	Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
+	log_k		13.8695
+	-delta_H	-119.399	kJ/mol
+#	deltafH		-1636.75	kJ/mol
+	-analytic	2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
+#	Range		0-200
+	-Vm		55.03 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCl2
+	ZnCl2 = Zn+2 + 2 Cl-
+	log_k		7.0880
+	-delta_H	-72.4548	kJ/mol
+#	deltafH		-415.09		kJ/mol
+	-analytic	-1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
+#	Range		0-200
+	-Vm		46.84 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCr2O4
+	ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
+	log_k		7.9161
+	-delta_H	-221.953	kJ/mol
+#	deltafH		-370.88		kcal/mol
+	-analytic	-1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
+#	Range		0-200
+	-Vm		44.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+ZnSO4
+	ZnSO4 = SO4-2 + Zn+2
+	log_k		3.5452
+	-delta_H	-80.132		kJ/mol
+#	deltafH		-982.855	kJ/mol
+	-analytic	6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
+#	Range		0-200
+	-Vm		45.61 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnSO4:6H2O
+	ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
+	log_k		-1.6846
+	-delta_H	-0.412008	kJ/mol
+#	deltafH		-2777.61	kJ/mol
+	-analytic	-1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
+#	Range		0-200
+	-Vm		130.08 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zoisite
+	Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.3017
+	-delta_H	-458.131	kJ/mol
+#	deltafH		-1643.69	kcal/mol
+	-analytic	2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
+#	Range		0-350
+	-Vm		135.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C
+
+#---------------------------
+# carbfix.dat additions and changes
+#---------------------------
+
+Ankerite
+	CaFe(CO3)2 = Ca+2 + Fe+2 + 2 CO3-2
+	log_k		-20.8732 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+    -analytic	6743.140988642074 2.3089611210263445 -252723.63251182728 -2681.493160205648 9.661065201605685e6 -0.0008807525923414785 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			66.060 # HP11
+
+Dolomite
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	log_k		-17.5755 # carbfix.dat
+	-analytic	29.3854 -0.08464 -6474.23 0 0 0 # carbfix.dat
+	-Vm			64.365 # core10.dat
+
+Siderite #M 115.856
+	FeCO3 = Fe+2 + CO3-2
+	log_k		-11.0441 # carbfix.dat
+	-analytic	349.4317054926304 0.03628114046578195 -13573.811090861998 -131.65143185871804 0 0 # carbfix.dat
+	-Vm			29.378 # core10.dat
+
+Vaterite
+	CaCO3 = Ca+2 + CO3-2
+	log_k		-7.913 # PB82
+	-analytic	-172.1295 -0.077993 3074.688 71.595 # PB82
+	-Vm			37.628 # Webmineral
+
+Chamosite
+	Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
+	log_k		51.0989 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2261.8191086219654 -0.05624157931775312 177907.89284663578 751.8600225754568 -1.0016051707895715e7 -0.00016619114943726155 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm		213.42 # Wilson+06
+
+Ferroactinolite
+	Ca2Fe5Si8O24H2 + 14 H+ = 8 H2O + 2 Ca++ + 5 Fe++ + 8 SiO2
+	log_k		53.8577 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-6166.998542330102 -1.037219798091501 365861.8176639852 2233.6116457595454 -2.0884200268246245e7 0.00012380655710718727 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			284.20 # HP11
+
+Analcime
+	Na0.96Al0.96Si2.04O6:1H2O + 3.84 H+ = 0.96 Al+3 + 2.04 SiO2 + 0.96 Na+ + 2.92 H2O
+	log_k		6.46778 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-1607.397164637225 -0.20244882417823173 100724.95781836317 567.7196058320366 -6.033769323248515e6 -5.813879879598253e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			97.43 # Neu00
+
+Chabazite-Ca
+	CaAl2Si4O12:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 SiO2 + 10 H2O
+	log_k		14.7771 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3008.8025156663593 -0.3755910460310381 188997.49544842725 1062.7947084349842 -1.1188005391588064e7 -0.00002583123991650134 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			247.45 # Neu00
+
+Chabazite-Na
+	Na2Al2Si4O12:6H2O + 8 H+ = 2 Al+3 + 2 Na+ + 4 SiO2 + 10 H2O
+	log_k		16.9077 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3186.8278093507747 -0.418380143168157 196138.93487499916 1132.2901846509246 -1.157949755113691e7 -0.000010048464434853268 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			247.45 # Neu00
+
+Clinoptilolite-Ca
+	Ca1.5Al3Si15O36:12H2O + 12 H+ = 3 Al+3 + 1.5 Ca+2 + 15 SiO2 + 18 H2O
+	log_k		-6.46186 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-9671.715446207168 -1.2994995558734899 586051.6056233725 3435.4387233980556 -3.6938991496076465e7 0.000020765835897886403 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			628.14 # Neu00
+
+Clinoptilolite-Na
+	Na3Al3Si15O36:10H2O + 12 H+ = 3 Al+3 + 3 Na+ + 15 SiO2 + 16 H2O
+	log_k		-9.10501 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-9935.986589349232 -1.3651421045919674 595717.5272789554 3537.941435564227 -3.7574827008609205e7 0.00004659640445273473 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			628.14 # Neu00
+
+Heulandite-Ca 
+	CaAl2Si7O18:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 10 H2O
+	log_k		3.436 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4716.20373811867 -0.6097204104617631 290361.2230601926 1669.4918855360143 -1.8033731828280084e7 -7.066268784616783e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			319.27 # Neu00
+
+Heulandite-Na
+	Na2Al2Si7O18:5H2O + 8 H+ = 2 Al+3 + 2 Na+ + 7 SiO2 + 9 H2O
+	log_k		6.5703 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4893.663438946976 -0.6527198597381667 298513.6715970333 1737.9764230580004 -1.846214573574453e7 9.017353510490205e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			314.27 # Neu00
+
+Laumontite 
+	CaAl2Si4O12:4.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 8.5 H2O
+	log_k		14.7774 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2953.1864248185643 -0.3460678860757567 189179.5402824526 1037.3497867115404 -1.133807260140713e7 -0.000030091905800782725 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			209.68 # Neu00
+
+Leonhardite 
+	CaAl2Si4O12:3.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 7.5 H2O
+	log_k		14.8743 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2952.1293972721705 -0.34742048679718 189640.4641323959 1036.5589592559031 -1.1353314773495251e7 -0.00002980389895752243 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			204.6 # Neu00
+
+Mesolite 
+	Ca0.667Na0.666Al2Si3O10:2.667H2O + 8 H+ = 2 Al+3 + 0.667 Ca+2 + 3 SiO2 + 0.666Na+ + 6.667 H2O
+	log_k		17.4218 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2514.705149002807 -0.29384113565312087 161655.70641411358 883.4921843216846 -9.406741691291668e6 -0.00003131384483046101 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			171.60 # Neu00
+
+Mordenite-Ca
+	Ca0.5AlSi5O12:4H2O + 4 H+ = 1 Al+3 + 0.5 Ca+2 + 5 SiO2 + 6 H2O
+	log_k		-7.0717 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3209.8424385413937 -0.42341047224966527 194516.0226403748 1137.819893904924 -1.2397691837671977e7 6.8216657981027104e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			208.74 # Neu00
+
+Mordenite-Na
+	NaAlSi5O12:3H2O + 4 H+ = 1 Al+3 + 1 Na+ + 5 SiO2 + 5 H2O
+	log_k		-1.64368 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3304.0194429277494 -0.44813101451196 199814.8259786772 1174.547352199426 -1.2617592209620891e7 0.00001579003538196579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			208.74 # Neu00
+
+Natrolite
+	Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 3 SiO2 + 2 Na+ + 6 H2O
+	log_k		19.1579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2597.197018319145 -0.31602003400891093 165224.20445157515 915.9259126075954 -9.615658410718244e6 -0.000020437594207700833 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			169.22 # Neu00
+
+Scolecite
+	CaAl2Si3O10:3H2O + 8 H+ = 2 Al+3 + Ca+2 + 3 SiO2 + 7 H2O
+	log_k		16.5484 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-2472.9848254242747 -0.282577973571597 159852.11641836836 867.0866007988283 -9.301702517122421e6 -0.00003682208544087395 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			172.29 # Neu00
+
+Stilbite-Ca
+	CaAl2Si7O18:7H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 11 H2O
+	log_k		3.25107 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4700.580605084462 -0.6041316785312421 289527.09790938033 1663.141867840657 -1.795058537490787e7 -5.933631409739997e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			333.48 # Neu00
+
+Thomsonite
+	Ca2NaAl5Si5O20:6H2O + 20 H+ = 5 Al+3 + 2 Ca+2 + 5 SiO2 + Na+ + 16 H2O
+	log_k		53.2914 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4574.622243877597 -0.4696926814639755 308149.84600719286 1591.2127911035302 -1.7223826926743384e7 -0.00010328397531931611 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			338.10 # Neu00
+
+Wairakite
+	CaAl2Si4O12:2H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 6 H2O
+	log_k		18.7266 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-3019.9452775460704 -0.35597487369231395 196047.2234609314 1059.0051267650902 -1.159849076955757e7 -0.000030402580312874294 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			190.35 # Neu00
+
+Yugawaralite
+	CaAl2Si6O16:4H2O + 8 H+ = 2 Al+3 + 6 SiO2 + 1 Ca+2 + 8 H2O
+	log_k		7.98228 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-analytic	-4107.23434950416 -0.5135363017836825 257073.67049534645 1449.0996243850718 -1.5841096694718203e7 -0.000015762141005939227 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
+	-Vm			265.79 # Neu00
+
+#----------
+# 15 gases
+#----------
+
+C2H4(g)
+	C2H4 = C2H4
+	log_k		-2.323631
+	-delta_H	-3.930		kcal/mol
+	-analytic	-14.5616 0.0176 2192.2 0 0 -3.8657e-6
+#	Range		0-350
+	-T_c		283 # K
+	-P_c		50.53
+	-Omega		0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+C2H6(g)
+	C2H6 = C2H6
+	log_k		-2.93276
+	-delta_H	-4.509		kcal/mol
+	-analytic	-23.1154 0.0354 3289.1 0 0 -1.5637e-5
+#	Range		0-350
+	-T_c		305 # K
+	-P_c		48.16
+	-Omega		0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98	
+
+C3H8(g)
+	C3H8 = C3H8
+	log_k		-2.876
+	-analytic	1.885	-2.55e-2 0 0 0 3.20e-5 # Not the best
+#	Range		0-350
+	-T_c		369.522 # K
+	-P_c		42.4924
+	-Omega		0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98
+
+CH4(g)
+	CH4 = CH4 
+	log_k		-2.8502
+	-delta_H	-13.0959	kJ/mol
+#	deltafH		-17.88		kcal/mol
+	-analytic	-24.027 4.7146e-3 372.27 6.4264 2.3362e5
+#	Range		0-350
+	-T_c		190.6 # K
+	-P_c		45.40
+	-Omega		0.008 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+CO(g)
+	CO = CO
+	log_k		-3.0068
+	-delta_H	-10.4349	kJ/mol
+#	deltafH		-26.416		kcal/mol
+	-analytic	-8.0849 9.2114e-3 0 0 2.0813e5
+#	Range		0-350
+	-T_c		133 # K
+	-P_c		34.54
+	-Omega		0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+CO2(g)
+	CO2 + H2O = H+ + HCO3-   
+	log_k		-7.8136
+	-delta_H	-10.5855	kJ/mol
+#	deltafH		-94.051		kcal/mol
+	-analytic	-8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
+#	Range		0-350
+	-T_c		304.25 # K
+	-P_c		72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
+	-Omega		0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2(g)
+	H2 = H2
+	log_k		-3.1050
+	-delta_H	-4.184		kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+#	Range		0-350
+	-T_c		33.2 # K
+	-P_c		12.80
+	-Omega		0.225 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2O(g) # HP98
+	H2O = 1.000 H2O
+	-log_k 1.5108
+	-analytic -1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
+	-T_c  647.3
+	-P_c  220.9
+	-Omega  0.344
+
+H2S(g)
+	H2S = H+ + HS-     
+	log_k		-7.9759
+	-delta_H	4.5229		kJ/mol
+#	deltafH		-4.931		kcal/mol
+	-analytic	-97.354 -3.1576e-2 1.8285e3 37.44 28.56
+#	Range		0-350
+	-T_c		373.2 # K
+	-P_c		88.20
+	-Omega		0.1
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+N2(g)
+	N2 = N2
+	log_k		-3.1864 
+	-delta_H	-10.4391	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
+#	Range		0-350
+	-T_c		126.2 # K
+	-P_c		33.50
+	-Omega		0.039
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NH3(g)
+	NH3 = NH3       
+	log_k		1.7966
+	-delta_H	-35.2251	kJ/mol
+#	deltafH		-11.021		kcal/mol
+	-analytic	-18.758 3.3670e-4 2.5113e3 4.8619 39.192
+#	Range		0-350
+	-T_c		405.6 # K
+	-P_c		111.3
+	-Omega		0.25
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NO(g)
+	NO + 0.5 H2O + 0.25 O2 = H+ + NO2- 
+	log_k		0.7554
+	-delta_H	-48.8884	kJ/mol
+#	deltafH		90.241		kJ/mol
+	-analytic	8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
+#	Range		0-300
+	-T_c		180 # K
+	-P_c		64.64
+	-Omega		0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92, Cp integration
+#	Ref		AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag
+
+NO2(g)
+	NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- 
+	log_k		8.3673
+	-delta_H	-94.0124	kJ/mol
+#	deltafH		33.154		kJ/mol
+	-analytic	9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
+#	Range		0-300
+	-T_c		431 # K
+	-P_c		99.67
+	-Omega		0 # Not found
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+O2(g)
+	O2 = O2       
+	log_k		-2.8983
+	-delta_H	-12.1336	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.5001 7.8981e-3 0.0 0.0 2.0027e5
+#	Range		0-300
+	-T_c		154.6 # K phreeqc.dat
+	-P_c		49.80 # phreeqc.dat
+	-Omega		0.021 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+SO2(g)
+	SO2 = SO2
+	log_k		0.1700
+	-delta_H	0
+#	deltafH		0		kcal/mol
+	-analytic	-2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
+#	Range		0-300
+	-T_c		430 # K
+	-P_c		77.67
+	-Omega		0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+#----------
+# Additional phases added for the purpose of the kinetics
+#----------
+
+#Basaltic glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
+#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
+Glass_Basalt_leached_layer
+	Si1.00Al0.35O2(OH)1.05 + 0.35 OH- = 0.35 Al(OH)4- + SiO2
+	log_k		-2.36449
+	-analytic	77.82514814711445 0.032450265390183614 -1502.5932036570116 -33.02705435543141 -216815.051931841 -7.454186812457974e-6
+
+#Rhyolite glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
+#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
+Glass_Rhyolite_leached_layer
+Si1.00Al0.23O2(OH)0.69 + 0.23 OH- = 0.23 Al(OH)4- + SiO2
+	log_k -2.49416
+	-analytic 5.1557406e+01 2.3750757e-02 -1.7710982e+02 -2.2884601e+01 -3.0907618e+05 -4.8984656e-06
+
+#----------
+# Additional phases  
+##Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals####
+# 16 added solids
+# The thermodynmaic propeties are from the llnl.data database expet for Gaspite 
+#------------
+
+
+Anglesite
+        PbSO4  =  +  Pb+2 +  SO4-2
+        log_k           -7.8527
+	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
+#	Enthalpy of formation:	-219.87 kcal/mol
+		-analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
+		-Vm			47.950 #https://thermoddem.brgm.fr/ 
+#       -Range:  0-300
+
+Barite
+        BaSO4  =  +  Ba++ +  SO4-2
+        log_k           -9.9711
+	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
+#	Enthalpy of formation:	-352.1 kcal/mol
+        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
+	-Vm			52.1 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Celestite
+        SrSO4  =  +  SO4-2 +  Sr+2
+        log_k           -5.6771
+	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
+#	Enthalpy of formation:	-347.3 kcal/mol
+        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
+	-Vm			46.25 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Cerussite
+        PbCO3 + H+  =  + HCO3- + Pb+2
+        log_k           -3.2091
+	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
+#	Enthalpy of formation:	-168 kcal/mol
+        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
+#       -Range:  0-300
+
+Fluorapatite
+        Ca5(PO4)3F +3.0 H+  =  +  F- + 3.0 HPO4-2 + 5.0 Ca++
+        log_k           -24.9940
+	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
+#	Enthalpy of formation:	-6836.12 kJ/mol
+        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
+	-Vm			157.56 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Fluorite
+        CaF2  =  +  Ca++ + 2.0 F-
+        log_k           -10.0370
+	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
+#	Enthalpy of formation:	-293 kcal/mol
+        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
+	-Vm			24.542 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Gaspite  # M 118.702 https://thermoddem.brgm.fr/
+NiCO3 + H+ = HCO3- + Ni+2
+		log_k -0.74
+        -analytic -909.497277	-0.146985	50789.653398	329.221149	-2880194.459776
+		-Vm			26.978 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Otavite
+        CdCO3 + H+  =  +  Cd++ +  HCO3-
+        log_k           -1.7712
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyromorphite
+        Pb5(PO4)3Cl +3.0 H+  =  +  Cl- + 3.0 HPO4-2 + 5.0 Pb+2
+        log_k           -47.8954
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyromorphite-OH
+        Pb5(OH)(PO4)3 +4.0 H+  =  +  H2O + 3.0 HPO4-2 + 5.0 Pb+2
+        log_k           -26.2653
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
+	-Vm			188.40 #https://thermoddem.brgm.fr/
+#	Enthalpy of formation:	0 kcal/mol
+
+Rhodochrosite
+        MnCO3 + H+  =  +  HCO3- +  Mn+2
+        log_k           -0.1928
+	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
+#	Enthalpy of formation:	-212.521 kcal/mol
+        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
+	-Vm			31.075 #https://thermoddem.brgm.fr/
+#       -Range:  0-300
+
+Smithsonite
+        ZnCO3 + H+  =  +  HCO3- +  Zn+2
+        log_k           0.4633
+	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
+#	Enthalpy of formation:	-194.26 kcal/mol
+        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
+#       -Range:  0-300
+
+
+Strontianite
+        SrCO3 + H+  =  +  HCO3- +  Sr+2
+        log_k           -0.3137
+	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
+#	Enthalpy of formation:	-294.6 kcal/mol
+        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
+#       -Range:  0-300
+
+Witherite
+        BaCO3 + H+  =  +  Ba+2 +  HCO3-
+        log_k           -2.9965
+	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
+#	Enthalpy of formation:	-297.5 kcal/mol
+        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
+#       -Range:  0-300
+
+# A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018) 143–164
+Monazite-Ce  # M 235.087 g/mol   
+	CePO4 + H+ = Ce+3 + HPO4-2
+	log_k		-18.12
+	-analytic 0.968 0.0474 4.384E+03
+	
+Variscite # M 157.983 #https://thermoddem.brgm.fr/
+	AlPO4:2H2O + 2H+ = Al+3 + H2PO4- + 2 H2O
+	log_k		-2.16
+	-analytic	-1069.095997	-0.173224	59751.042067	386.011849	-3287463.862916
+	-Vm			61.953 
+
+##
+Illite
+        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
+        log_k           9.0260
+	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
+#	Enthalpy of formation:	-1394.71 kcal/mol
+        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
+#       -Range:  0-300
+
+
+
+#----------
+# List of the RATE blocks (details in Hermanska et al. 2022, 2023)
+#----------
+
+
+RATES
+
+Albite #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Albite_high #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite_high"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite_high")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Albite_low #NaAlSi3O8; M 262.219 g/mol
+-start
+1 name$ = "Albite_low"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.7	#mol.m-2.s-1
+1001 An = 2.05e-1 #mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.3
+1010 nb = -0.3
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Albite_low")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Almandine#Fe3Al2(SiO4)3, M 500.4 g/mol
+-start
+1 name$ = "Almandine"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.0e5#mol/m2/s
+1001 An = 2.31e-4#mol/m2/s
+1002 Ab = 6.0e-8#mol/m2/s 
+1003 na = 1
+1004 nb = -0.4 
+1005 Ea = 60000
+1006 En = 43200 
+1007 Eb = 42300  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Almandine")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Analcime#Na0.96Al0.96Si2.04O6:1H2O; 219.27 g/mol
+-start
+1 name$ = "Analcime"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5.0e7#mol.m-2.s-1
+1001 An = 1.0e-1	#mol.m-2.s-1 
+1002 Ab = 7.5e-5 #mol.m-2.s-1
+1003 Ea = 63000 #J.mol-1
+1004 En = 58500	#J.mol-1
+1005 Eb = 58000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1
+1010 nb = -0.4
+1011 Sig = 2.04
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Analcime")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+
+Andalusite#Al2SiO5, M 162.9 g/mol
+-start
+1 name$ = "Andalusite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.39#mol/m2/s
+1001 An = 8.0e-3#mol/m2/s
+1002 Ab = 8.8e-15#mol/m2/s 
+1003 na = 0.15
+1004 nb = -1.2
+1005 Ea = 58000
+1006 En = 60000
+1007 Eb = 50000 
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+1001 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Andalusite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Andesine_ss#Ca0.4Na0.6Al1.4Si2.6O8 , M 268.613 g/mol
+-start
+1 name$ = "Andesine_ss"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 268.613 else S = m0 * ((m/m0)^(2/3)) * 268.613 * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+10 SR_Andesine=(SR ("Albite")*0.6)*(SR ("Anorthite")*0.4)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Andesine < 1) Then GoTo 5000 # warning no dissolution reaction
+200 If (SR_Andesine > 1) Then GoTo 5000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 146.75#mol.m-2.s-1
+1001 An = 0.19	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.67
+1010 nb = -0.35
+1011 Sig = 2.6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Andesine^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Andradite#Ca3Fe2(SiO4)3, M 510.9 g/mol
+-start
+1 name$ = "Andradite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.6e5#mol/m2/s
+1001 An = 3.2e-4#mol/m2/s 
+1003 na = 1
+1005 Ea = 60000
+1006 En = 43200  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Andradite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+
+Annite	#KFe3AlSi3O10(OH)2; M 511.85 g/mol
+-start
+1 name$ = "Annite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Annite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anorthite	#CaAl2Si2O8; M 278.204 g/mol
+-start
+1 name$ = "Anorthite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3))* GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 9.82e4	#mol.m-2.s-1
+1001 An = 1.5E-1	#mol.m-2.s-1 
+1002 Ab = 1.5E-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.22
+1010 nb = -0.35
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Anorthite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anthophyllite #Mg7Si8O22(OH)2, M 780.807 g/mol
+-start
+1 name$ = "Anthophyllite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.7e-4 #mol.m-2.s-1
+1001 An = 5.0e-6 #mol.m-2.s-1
+1002 Ea = 52000 #J.mol-1
+1003 En = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.42
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Anthophyllite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Antigorite	#Mg3Si2O5(OH4); M 277 g/mol
+-start
+1 name$ = "Antigorite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+#------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000 #J.mol-1
+1004 En = 27000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Antigorite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Augite_ss#Mg0.45Fe0.275Ca0.275SiO3;M 113.4  g/mol   
+-start
+   2 if (PARM(1) = 0) then  goto 3 else goto 5
+   3 if PARM(3) = 0 then S = PARM(2) * m * 113.4 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
+   4 GOTO 1000
+   5 S = PARM(2)*TOT("water")
+   10 SR_Augite=(SR ("Wollastonite")*0.45)*(SR ("Ferrosilite")*0.275)*(SR ("Enstatite")*0.275)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Augite < 1) Then GoTo 5000 # warning no dissolution reaction
+200 If (SR_Augite > 1) Then GoTo 5000 # warning no precipitation reaction
+#------------------Kinetic calculation---------------------##
+        #Parameters   
+1000 Aa =1.52e6
+1001 An =350
+1002 Ea =81834
+1003 En =83000
+1004 R =  8.314
+1006 Sig = 1
+1007 na =0.7
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Augite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Ca#Ca.175Al2.35Si3.65O10(OH)2; M 366.9 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+#------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Fe# Fe.175Al2.35Si3.65O10(OH)2  369.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-K# K.35Al2.35Si3.65O10(OH)2; M 373.6 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Mg# Mg.175Al2.35Si3.65O10(OH)2; M 364.2 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Beidellite-Na# Na.35Al2.35Si3.65O10(OH)2 ; M 368.0 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Beidellite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Beidellite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Biotite_ss	#KFe1.5Mg1.5AlSi3O10(OH)2; M 464.564 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 464.564 else S = m0 * ((m/m0)^(2/3)) * 464.564 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Biotite=(SR ("Annite")*0.5)*(SR ("Phlogopite")*0.5)
+
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Biotite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Biotite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Biotite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Bronzite_ss#Mg0.77Fe0.23SiO3, M 107.6 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 107.6 else S = m0 * ((m/m0)^(2/3)) * 107.6 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Bronzite=(SR ("Enstatite")*0.77)*(SR ("Ferrosilite")*0.23)
+
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Bronzite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Bronzite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 9.5e-4# mol.m-2.s-1
+1001 An = 7.6e-1# mol.m-2.s-1
+1002 Ea = 38548# J/mol   
+1003 En = 66100# J/mol
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Bronzite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Bytownite_ss#Ca0.77Na0.23Al1.77Si2.23O8, M 243.67 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 243.67 else S = m0 * ((m/m0)^(2/3)) * 243.67 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Bytownite=(SR ("Albite")*0.23)*(SR ("Anorthite")*0.77)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Bytownite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Bytownite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 18838.52 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.105
+1010 nb = -0.35
+1011 Sig = 2.23
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Bytownite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chabazite-Ca# CaAl2Si4O12:6H2O
+-start
+1 name$ = "Chabazite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.221 #mol.m-2.s-1
+1001 An = 1.56e-4	#mol.m-2.s-1 
+1002 Ab = 4.94e-5 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Chabazite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chabazite-Na# Na2Al2Si4O12:6H2O
+-start
+1 name$ = "Chabazite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.221 #mol.m-2.s-1
+1001 An = 1.56e-4	#mol.m-2.s-1 
+1002 Ab = 4.94e-5 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Chabazite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chalcedony# SiO2 M 60.08 g/mol #listed as Amorphous SiO2 in DB part 1
+-start
+1 name$ = "Chalcedony"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.563e-4#mol/m2/s
+1001 Ab = 0.0353#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 41610 
+1005 Eb = 73000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Chalcedony")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chrysotile	# Mg3Si2O5(OH4); M 278.9 g/mol
+-start
+1 name$ = "Chrysotile"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000  #J.mol-1
+1004 En = 27000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Chrysotile")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Chamosite# Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
+-start
+1 name$ = "Chamosite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Chamosite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Clinochlore-14A#Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
+-start
+1 name$ = "Clinochlore-14A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Clinochlore-14A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinochlore-7A# Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
+-start
+1 name$ = "Clinochlore-7A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Clinochlore-7A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinoptilolite-Ca# Ca1.5Al3Si15O36:12H2O
+-start
+1 name$ = "Clinoptilolite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 15
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR ("Clinoptilolite-Ca")
+/Sig))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Clinoptilolite-Na# Na3Al3Si15O36:10H2O
+-start
+1 name$ = "Clinoptilolite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 15
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Clinoptilolite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Cristobalite(alpha)#SiO2; M 60.08 g/mol
+-start
+1 name$ = "Cristobalite(alpha)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Cristobalite(alpha)")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Cristobalite(beta)#SiO2, M 60.08 g/mol
+-start
+1 name$ = "Cristobalite(beta)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Cristobalite(beta)")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Daphnite-14A#Fe5Al(AlSi3O10)(OH)8;M 713.44 g/mol
+-start
+1 name$ = "Daphnite-14A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Daphnite-14A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Daphnite-7A#Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
+-start
+1 name$ = "Daphnite-7A"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.5e-4 #mol.m-2.s-1
+1001 An = 4.7e-11 #mol.m-2.s-1
+1002 Ab = 2.0e-12 #mol.m-2.s-1
+1003 Ea = 30000 #J.mol-1
+1004 En = 15000 #J.mol-1
+1005 Eb = 15000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 nA = 0.74
+1009 nb = -0.19 
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Daphnite-7A")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Diopside #CaMgSi2O6; M 216.55 g/mol
+-start
+1 name$ = "Diopside"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 8.55e-5 #mol.m-2.s-1
+1001 An = 4.30e-4 #mol.m-2.s-1
+1003 Ea = 32654 #J.mol-1
+1004 En = 43866 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.25
+1009 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Diopside")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Enstatite#MgSiO3;M 100.387 g/mol
+-start
+1 name$ = "Enstatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.574 #mol.m-2.s-1
+1001 An = 6252 #mol.m-2.s-1
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1 
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 1
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR ("Enstatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Epidote#Ca2FeAl2Si3O12OH;M 483.215 g/mol
+-start
+1 name$ = "Epidote"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.09 #mol.m-2.s-1 
+1001 An = 5.13e-5  #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.30
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Epidote")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Epidote-ord#Ca2FeAl2Si3O12OH;M 483.215 g/mol
+-start
+1 name$ = "Epidote-ord"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.14e1 #mol.m-2.s-1 
+1001 An = 5.13e-5  #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.56
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Epidote-ord")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fayalite   #Fe2SiO4;M 203.771 g/mol
+-start
+1 name$ = "Fayalite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.20e6# mol.m-2.s-1
+1001 Ab =1.91e3# mol.m-2.s-1
+1002 Ea =70400# J/mol
+1003 Eb =60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =0.44
+1008 nb =0.22	
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
+2002 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR("Fayalite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Ferroactinolite #Ca2Fe5Si8O22(OH)2, M 970.053 g/mol, kinetic parameters from Tremolite
+-start
+1 name$ = "Ferroactinolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+5 S = PARM(2)*TOT("water")
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 En = 48000 #J.mol-1
+1004 R = 8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Ferroactinolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Forsterite   #Mg2SiO4, M 140.692 g/mol   
+-start
+1 name$ = "Forsterite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =14.8e4# mol.m-2.s-1
+1001 Ab =220# mol.m-2.s-1
+1002 Ea =70400# J/mol
+1003 Eb =60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1   
+1007 na = 0.44
+1008 nb = 0.22
+		#Rate Equation
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
+2009 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR("Forsterite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Glass_Basalt#SiTi0.02Al0.36Fe0.19Mg0.28Ca0.26Na0.08K0.008O3.364 , M 122.566 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 122.566 else S = m0 * ((m/m0)^(2/3)) * 122.566 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR ("Glass_Basalt_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR ("Glass_Basalt_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 if (m0<=0) then go to 5000
+1001 Aa = 1.08e-4	#mol.m-2.s-1
+1003 Ea = 21500	#J.mol-1
+1006 R = 8.3144 #J.deg-1.mol-1
+1007 ACTI = (ACT ("H+")^3)/(ACT("Al+3"))
+1008 n = 1/3
+1009 Sig = 1
+		#rate equation
+2000 rplus = Aa * ACTI^n  * exp(-Ea/ (R * Tk)) * S
+3000 rate = rplus * (1 - (SR ("Glass_Basalt_leached_layer")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Glass_Rhyolite#SiAl0.23Na0.13Fe0.05K0.05Ca0.03Mg0.007Ti0.004O2.536; M 84.165 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 84.165 else S = m0 * ((m/m0)^(2/3)) * 84.165 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR("Glass_Rhyolite_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR("Glass_Rhyolite_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.6e-3	#mol.m-2.s-1
+1002 Ab = 7.0e-8 #mol.m-2.s-1
+1003 Ea = 36000  #J.mol-1
+1005 Eb = 52000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.48
+1010 nb = -0.6
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa +  rplusb
+3000 rate = rplus * (1 - (SR("Glass_Rhyolite_leached_layer")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Glaucophane_ss#Na2Mg3Al2Si8O22(OH)2, M 783.531 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 783.531 else S = m0 * ((m/m0)^(2/3)) * 783.531 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Glaucophane =((SR ("Anthophyllite")*1)*(SR ("Jadeite")*2))*(SR ("Enstatite")*(-4))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Glaucophane < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Glaucophane > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 220 #mol.m-2.s-1
+1001 Ab = 1.0e-4 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 Eb = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.7
+1006 nb = -0.12
+1007 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Glaucophane^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Grossular#Ca3Al2(SiO4)3, M 453 g/mol
+-start
+1 name$ = "Grossular"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 2.0e5#mol/m2/s
+1001 An = 2.31e-4#mol/m2/s
+1002 Ab = 6.0e-8#mol/m2/s 
+1003 na = 1
+1004 nb = -0.4 
+1005 Ea = 60000
+1006 En = 43200 
+1007 Eb = 42300  
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+10010 Sig = 3
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Grossular")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Heulandite-Ca# CaAl2Si7O18:6H2O
+-start
+1 name$ = "Heulandite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Heulandite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Heulandite-Na# Na2Al2Si7O18:5H2O
+-start
+1 name$ = "Heulandite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Heulandite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Hornblende_ss#Ca2(Mg4Al)(Si7Al)O22(OH)2, M 813.927 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 813.927 else S = m0 * ((m/m0)^(2/3)) * 813.927 * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+10 SR_Hornblende =((SR ("Tremolite")*1)*(SR ("Corundum")*1))*(SR ("Enstatite")*(-1))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Hornblende < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Hornblende > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5.0e-3 #mol.m-2.s-1
+1001 Ab = 2.1e-5 #mol.m-2.s-1
+1002 Ea = 50000 #J.mol-1
+1003 Eb = 48000 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.17
+1006 nb = -0.12
+1007 Sig = 7
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Hornblende^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Illite# K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2
+-start
+1 name$ = "Illite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 7.3e-4 #mol.m-2.s-1
+1001 An = 3.348e-3	#mol.m-2.s-1 
+1002 Ab = 6.0e-8 #mol.m-2.s-1
+1003 Ea = 50000 #J.mol-1
+1004 En = 70000	#J.mol-1
+1005 Eb = 74000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1009 nb = -0.6
+1011 Sig = 3.5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Illite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Jadeite# NaAl(SiO3)2;M 203.9 g/mol
+-start
+1 name$ = "Jadeite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 25 #mol.m-2.s-1 
+1001 An = 2.70e5 #mol.m-2.s-1  
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 2
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Jadeite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Kaolinite	# Al2Si2O5(OH)4; M 258.16 g/mol
+-start
+1 name$ = "Kaolinite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.85	#mol.m-2.s-1
+1001 An = 4.15e-3	#mol.m-2.s-1 
+1002 Ab = 2.40e-11 #mol.m-2.s-1
+1003 Ea = 73000  #J.mol-1
+1004 En = 67000	#J.mol-1
+1005 Eb = 61000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.45
+1010 nb = -0.76
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 -SR("Kaolinite")^(1/Sig))
+4000 moles = rate * time
+5000 save moles
+-end
+
+K-Feldspar #KAlSi3O8; M 278.33 g/mol
+-start
+1 name$ = "K-Feldspar"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("K-Feldspar")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Kyanite# Al2SiO5, M 162.9 g/mol
+-start
+1 name$ = "Kyanite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.115#mol/m2/s
+1001 An = 1e-3#mol/m2/s
+1002 Ab = 1.5e-13#mol/m2/s 
+1003 na = 0.15
+1004 nb = -1
+1005 Ea = 58000
+1006 En = 60000
+1007 Eb = 50000
+1008 R =  8.314 #J.deg-1.mol-1
+1009 ACTI = act("H+")
+1001 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusn = An* (exp(-En/ (R * Tk)))* S
+2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Kyanite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Larnite   #Ca2SiO4;M 172.237 g/mol
+-start
+1 name$ = "Larnite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 5.25e8# mol.m-2.s-1
+1001 Ab = 8.25e5# mol.m-2.s-1
+1002 Ea = 70400# J/mol
+1003 Eb = 60900# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =0.44
+1008 nb =0.22	
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
+2002 rplus = rplusa + rplusb
+4000 rate = rplus * (1 - SR ("Larnite")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Labradorite_ss# Ca0.68Na0.32Al1.68Si2.32O8, M 245.84 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Labradorite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Labradorite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5886.557 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1010 nb = -0.35
+1011 Sig = 2.32
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+2010 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
+3000 rate = rplus * (1 - (SR_Labradorite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Labradorite_ss_an55# Ca0.55Na0.45Al1.68Si2.32O8, M 245.84 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 Labradorite_ss_an55=(SR ("Albite")*0.55)*(SR ("Anorthite")*0.55)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Labradorite_an55 < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Labradorite_an55 > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5886.557 #mol.m-2.s-1
+1001 An = 0.17	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1010 nb = -0.35
+1011 Sig = 2.32
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (Labradorite_ss_an55^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Laumontite# CaAl2Si4O12:4.5H2O
+-start
+1 name$ = "Laumontite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.25 #mol.m-2.s-1
+1001 An = 1.39e-3	#mol.m-2.s-1 
+1002 Ab = 7.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Laumontite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Lizardite	#Mg3Si2O5(OH4); M 277 g/mol
+-start
+1 name$ = "Lizardite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.8e-6	#mol.m-2.s-1
+1001 An = 2.0e-8	#mol.m-2.s-1 
+1003 Ea = 27000 #J.mol-1
+1004 En = 27000 	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.25
+1011 Sig = 2
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2009 rplus = rplusa + rplusn 
+3000 rate = rplus * (1 - (SR("Lizardite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Leonhardite# CaAl2Si4O12:3.5H2O
+-start
+1 name$ = "Leonhardite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 0.25 #mol.m-2.s-1
+1001 An = 1.39e-3	#mol.m-2.s-1 
+1002 Ab = 7.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Leonhardite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Maximum_Microcline #KAlSi3O8; M 278.33 g/mol
+-start
+1 name$ = "Maximum_Microcline"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("Maximum_Microcline")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Mesolite# Ca0.667Na0.666Al2Si3O10:2.667H2O
+-start
+1 name$ = "Mesolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mesolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Montmor-Ca# Ca.175Mg.35Al1.65Si4O10(OH)2
+-start
+1 name$ = "Montmor-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Montmor-Mg# Mg.525Al1.65Si4O10(OH)2; M 363.6 g/mol
+-start
+1 name$ = "Montmor-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Montmor-K#
+-start
+1 name$ = "Montmor-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Montmor-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Mordenite-Ca# Ca0.5AlSi5O12:4H2O
+-start
+1 name$ = "Mordenite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000 else goto 1000 # warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 else goto 1000# warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mordenite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Mordenite-Na# NaAlSi5O12:3H2O
+-start
+1 name$ = "Mordenite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Mordenite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Muscovite #KAl3Si3O10(OH)2, M 398.303 g/mol
+-start
+1 name$ = "Muscovite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.000126#mol.m-2.s-1  
+1001 An = 0.00000631#mol.m-2.s-1
+1002 Ab = 0.0000316#mol.m-2.s-1 
+1004 Ea = 41311    #J.mol-1  
+1005 En = 39301    #J.mol-1 
+1006 Eb = 56950    #J.mol-1 
+1008 R =  8.314 #J.deg-1.mol-1
+1009 nA = 0.37
+1010 nb = -0.22
+2000 Sig = 3
+		#rate equations
+2005 rplusa = Aa* (exp(-Ea/ (R * Tk)))*((act("H+"))^nA )* S
+2006 rplusn = An* (exp(-En/ (R * Tk)))* S
+2007 rplusb = Ab* (exp(-Eb/ (R * Tk)))*((act("H+"))^nb)* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Muscovite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Natrolite# Na2Al2Si3O10:2H2O
+-start
+1 name$ = "Natrolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Natrolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nepheline #NaAlSiO4
+-start
+1 name$ = "Nepheline"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 5e7 #mol.m-2.s-1
+1001 An = 0.1	#mol.m-2.s-1 
+1002 Ab = 7.5e-5 #mol.m-2.s-1
+1003 Ea = 63000 #J.mol-1
+1004 En = 58500	#J.mol-1
+1005 Eb = 58000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 1.0
+1009 nb = -0.4
+1011 Sig = 1
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Nepheline")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Ca# Ca.175Fe2Al.35Si3.65H2O12; M 424.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-K# K.35Fe2Al.35Si3.65H2O12; M 431.3 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Mg# Mg.175Fe2Al.35Si3.65H2O12; M 421.9 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Nontronite-Na# Na.35Fe2Al.35Si3.65H2O12; M 425.7 g/mol # listed as SMECTITE in DB part 2
+-start
+1 name$ = "Nontronite-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Nontronite-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Oligoclase_ss#Ca0.186Na0.814Al1.186Si2.814O8, M 265.2 g/mol
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 265.2 else S = m0 * ((m/m0)^(2/3)) * 265.2 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Oligoclase=(SR ("Albite")*0.814)*(SR ("Anorthite")*0.186)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Oligoclase < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Oligoclase > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 6.8	#mol.m-2.s-1
+1001 An = 0.2	#mol.m-2.s-1 
+1002 Ab = 1.5e-5 #mol.m-2.s-1
+1003 Ea = 58000  #J.mol-1
+1004 En = 60000	#J.mol-1
+1005 Eb = 50000	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.38
+1010 nb = -0.35
+1011 Sig = 2.814
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR_Oligoclase^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Olivine_ss#Mg1.8Fe0.2SiO4;M   147.31 g/mol   
+-start
+   2 if (PARM(1) = 0) then  goto 3 else goto 5
+   3 if PARM(3) = 0 then S = PARM(2) * m * 147.31 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
+   4 GOTO 1000
+   5 S = PARM(2)*TOT("water")
+10 SR_Olivine=(SR ("Forsterite")*0.9)*(SR ("Fayalite")*0.1)
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Olivine < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Olivine > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa  =14.8e4# mol.m-2.s-1 # Forsterite rate!
+1001 Ab  =220# mol.m-2.s-1  # Forsterite rate!
+1002 Ea  =70400# J/mol
+1003 Eb  =60900# J/mol
+1004 R =  8.314 #J.deg-1.mol-1
+1006 Sig = 1   
+1007 na = 0.44
+1008 nb = 0.22
+#Rate Equation
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR_Olivine^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Paragonite # NaAl3Si3O10(OH)2
+-start
+1 name$ = "Paragonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 7.3e-4 #mol.m-2.s-1
+1001 An = 3.48e-3	#mol.m-2.s-1 
+1002 Ab = 6.0e-8 #mol.m-2.s-1
+1003 Ea = 50000 #J.mol-1
+1004 En = 70000	#J.mol-1
+1005 Eb = 74000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1009 nb = -0.6
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Paragonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pargasite #NaCa2Al3Mg4Si6O22(OH)2, M 835.814 g/mol, kinetic parameters from glaucophane in DB P1
+-start
+1 name$ = "Pargasite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.327e8 #mol.m-2.s-1
+1001 Ab = 5000 #mol.m-2.s-1
+1002 Ea = 85000 #J.mol-1
+1003 Eb = 94400 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 na = 0.7
+1006 nb = -0.12
+1007 Sig = 6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2010 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Pargasite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Phlogopite	#KAlMg3Si3O10(OH)2; M 417.25
+-start
+1 name$ = "Phlogopite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.90e-7 #mol.m-2.s-1
+1001 An = 5e-9 #mol.m-2.s-1
+1002 Ab = 4e-10 #mol.m-2.s-1
+1003 Ea = 18200    #J.mol-1
+1004 En = 22000    #J.mol-1
+1005 Eb = 25500    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.5
+1009 nb = -0.16
+1010 Sig = 3
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Phlogopite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Prehnite#Ca2Al2Si3O10(OH)2 ;M 415.1 g/mol
+-start
+1 name$ = "Prehnite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.30e3 #mol.m-2.s-1 
+1001 An = 1.0 #mol.m-2.s-1
+1002 Ab = 1.53e1 #mol.m-2.s-1  
+1003 Ea = 77000 #J.mol-1
+1004 En = 80000 #J.mol-1
+1005 Eb = 80000 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.35
+1009 nb = -0.075
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Prehnite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pyrophyllite#Al2Si4O10(OH)2, M 363.908 g/mol
+-start
+1 name$ = "Pyrophyllite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.60e4 #mol.m-2.s-1
+1001 An = 1.5e-1	#mol.m-2.s-1 
+1002 Ab = 2.0e-8 #mol.m-2.s-1
+1003 Ea = 73000 #J.mol-1
+1004 En = 67000	#J.mol-1
+1005 Eb = 61000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.7
+1010 nb = -0.7
+1011 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Pyrophyllite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Quartz#SiO2; M 60.08 g/mol
+-start
+1 name$ = "Quartz"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution only or precipitation only option---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.03e-4#mol/m2/s
+1001 Ab = 0.105#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 45600 
+1005 Eb = 80000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Quartz")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Riebeckite_ss#Na2Fe5Si8O22(OH)2, M 935.877 g/mol, kinetic parameters from tremolite
+-start
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * 935.877 else S = m0 * ((m/m0)^(2/3)) * 935.877 * PARM(2)
+4 GOTO 1000
+5 S = PARM(2)*TOT("water")
+10 SR_Riebeckite =((SR ("Wollastonite")*1)*(SR ("Jadeite")*2))*(SR ("Sillimanite")*(-2))
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR_Riebeckite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR_Riebeckite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000  #J.mol-1
+1003 En = 48000  #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR_Riebeckite^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Sanidine_high #KAlSi3O8; M 278.33 g/mol, kinetic parameters from K-feldspar in DB P1
+-start
+1 name$ = "Sanidine_high"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 0.05	# mol.m-2.s-1 
+1001 An = 1.08e-2	# mol.m-2.s-1
+1002 Ab = 1.2e-10	# mol.m-2.s-1
+1003 Ea = 51700   # J/mol
+1004 En = 60000   # J/mol
+1005 Eb = 62195   # J/mol 
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+") #
+1008 Sig = 3
+1009 nA = 0.45
+1010 nb = -0.75
+		#Rate Equation
+3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
+3001 rplusn = An * exp (-En/ (R * Tk)) * S
+3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
+3003 rplus = rplusa + rplusn + rplusb
+4000 rate = rplus * (1 - SR("Sanidine_high")^(1/Sig))
+5000 moles = rate * time
+6000 save moles
+-end
+
+Saponite-Fe-Ca#Ca.175Fe3Al.35Si3.65O10(OH)2; M 480.5 g/mol
+-start
+1 name$ = "Saponite-Fe-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Fe#Fe3.175Al.35Si3.65O10(OH)2; M 483.3  g/mol
+-start
+1 name$ = "Saponite-Fe-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-K#K.35Fe3Al.35Si3.65O10(OH)2; M 487.2  g/mol
+-start
+1 name$ = "Saponite-Fe-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Mg#Mg.175Fe3Al.35Si3.65O10(OH)2 ; M 477.7  g/mol
+-start
+1 name$ = "Saponite-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Fe-Na#Na.35Fe3Al.35Si3.65O10(OH)2; M 481.5  g/mol
+-start
+1 name$ = "Saponite-Fe-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Fe-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Ca#Ca.175Mg3Al.35Si3.65O10(OH)2 ; M 385.9  g/mol
+-start
+1 name$ = "Saponite-Mg-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Fe#Fe.175Mg3Al.35Si3.65O10(OH)2 ; M 388.6 g/mol
+-start
+1 name$ = "Saponite-Mg-Fe"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Fe")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-K#K.35Mg3Al.35Si3.65O10(OH)2 ; M 392.6 g/mol
+-start
+1 name$ = "Saponite-Mg-K"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-K")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Mg#Mg3.175Al.35Si3.65O10(OH)2  ; M 383.0 g/mol
+-start
+1 name$ = "Saponite-Mg-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Saponite-Mg-Na#Na.35Mg3Al.35Si3.65O10(OH)2; M 386.9 g/mol
+-start
+1 name$ = "Saponite-Mg-Na"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.65
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Saponite-Mg-Na")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Scolecite# CaAl2Si3O10:3H2O
+-start
+1 name$ = "Scolecite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	#mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR ("Scolecite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Sepiolite #Mg4Si6O15(OH)2:6H2O,653.22 g/mol
+-start
+1 name$ = "Sepiolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.89e-3 #mol.m-2.s-1
+1001 An = 8.0e-7 #mol.m-2.s-1
+1002 Ea = 50200  #J.mol-1
+1003 En = 40700 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.248
+1006 Sig = 6
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Sepiolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+SiO2(am)#M 60.08 g/mol
+-start
+1 name$ = "SiO2(am)"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa = 4.563e-4#mol/m2/s
+1001 Ab = 0.0353#mol/m2/s 
+1002 na = 0.309
+1003 nb = -0.41 
+1004 Ea = 41610 
+1005 Eb = 73000  
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1009 Sig = 1
+		#rate equations
+2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("SiO2(am)") ^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Smectite-high-Fe-Mg# Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12
+-start
+1 name$ = "Smectite-high-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Smectite-high-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+
+Smectite-low-Fe-Mg# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12; 395.5 g/mol
+-start
+1 name$ = "Smectite-low-Fe-Mg"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.66e-3 #mol.m-2.s-1
+1001 An = 9.0e-10	#mol.m-2.s-1 
+1002 Ab = 1.5e-9 #mol.m-2.s-1
+1003 Ea = 50798 #J.mol-1
+1004 En = 30000	#J.mol-1
+1005 Eb = 48000	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.55
+1010 nb = -0.3
+1011 Sig = 3.75
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Smectite-low-Fe-Mg")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Spodumene# LiAlSi2O6;M 187.9 g/mol
+-start
+1 name$ = "Spodumene"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 490 #mol.m-2.s-1 
+1001 An = 5.40e6 #mol.m-2.s-1  
+1003 Ea = 46080 #J.mol-1
+1004 En = 89538 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.5
+1010 Sig = 2
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2009 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Spodumene")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Stilbite# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12
+-start
+1 name$ = "Stilbite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3.75
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Stilbite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Stilbite-Ca# CaAl2Si7O18:7H2O
+-start
+1 name$ = "Stilbite-Ca"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 2.48e-2 #mol.m-2.s-1
+1001 An = 1.39e-5	#mol.m-2.s-1 
+1002 Ab = 3.5e-6 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 3
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Stilbite-Ca")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Talc #Mg3Si4O10(OH)2,379.259 g/mol
+-start
+1 name$ = "Talc"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 0.004424914  #mol.m-2.s-1
+1001 An = 1.56e-6 #mol.m-2.s-1
+1002 Ea = 50200  #J.mol-1
+1003 En = 40700 #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.36
+1006 Sig = 4
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Talc")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Tremolite #Ca2Mg5Si8O22(OH)2, 812.353 g/mol
+-start
+1 name$ = "Tremolite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.0e-3   #mol.m-2.s-1
+1001 An = 2.0e-5 #mol.m-2.s-1
+1002 Ea = 50000  #J.mol-1
+1003 En = 48000  #J.mol-1
+1004 R =  8.314 #J.deg-1.mol-1
+1005 n = 0.22
+1006 Sig = 8
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
+2001 rplusn = An* (exp(-En/ (R * Tk)))* S
+2010 rplus = rplusa + rplusn
+3000 rate = rplus * (1 - (SR("Tremolite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Thomsonite# Ca2NaAl5Si5O20:6H2O
+-start
+1 name$ = "Thomsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+        #Parameters
+1000 Aa = 1.97 #mol.m-2.s-1
+1001 An = 1.11e-3	 #mol.m-2.s-1 
+1002 Ab = 5.54e-4 #mol.m-2.s-1
+1003 Ea = 33700 #J.mol-1
+1004 En = 44200	#J.mol-1
+1005 Eb = 44200	#J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1008 na = 0.82
+1009 nb = -0.2
+1011 Sig = 5
+		#rate equations
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
+2001 rplusn = An* (exp(-En/ (R * Tk))) * S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
+2009 rplus = rplusa + rplusn +rplusb
+3000 rate = rplus * (1 - (SR("Thomsonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Wollastonite#CaSiO3;M 117.1 g/mol
+-start
+1 name$ = "Wollastonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 700 #mol.m-2.s-1 
+1001 Ab = 20 #mol.m-2.s-1  
+1003 Ea = 56000 #J.mol-1
+1004 Eb = 52000 #J.mol-1
+1006 R =  8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.4
+1009 nb = 0.15
+1010 Sig = 1
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR("Wollastonite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Zoisite#Ca2Al3(SiO4)3OH;M 457.1 g/mol
+-start
+1 name$ = "Zoisite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##----------------- Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
+200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.09 #mol.m-2.s-1 
+1001 An = 5.13e-5 #mol.m-2.s-1 
+1002 Ab = 1.40e-9 #mol.m-2.s-1 
+1003 Ea = 60000 #J.mol-1
+1004 En = 43200 #J.mol-1
+1005 Eb = 42300 #J.mol-1
+1006 R = 8.314 #J.deg-1.mol-1
+1007 ACTI = act("H+")
+1008 na = 0.30
+1009 nb = -0.4
+1010 Sig = 3
+		#rate equations 
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
+2002 rplusn = An* (exp(-En/ (R * Tk)))* S
+2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
+2009 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR("Zoisite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+#### Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals###############################
+
+Anglesite	#PbSO4; M 303.264 g/mol
+-start
+1 name$ = "Anglesite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.0e-2 #mol.m-2.s-1
+1002 Ab = 2e-14 #mol.m-2.s-1
+1003 Ea = 26000    #J.mol-1
+1005 Eb = 26000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Anglesite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Anhydrite #CaSO4; M 136.14 g/mol
+-start
+1 name$ = "Anhydrite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.30e3 #mol.m-2.s-1
+1003 Ea = 37700    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa
+3000 rate = rplus * (1 - (SR ("Anhydrite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fluorapatite #Ca5(PO4)3F ; M 504.302 g/mol
+-start
+1 name$ = "Fluorapatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 80 #mol.m-2.s-1
+1002 Ab = 3e-2 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.8
+1009 nb = 0.2
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Fluorapatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Hydroxyapatite #Ca5(OH)(PO4)3 ; M 502.31 g/mol
+-start
+1 name$ = "Hydroxyapatite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 80 #mol.m-2.s-1
+1002 Ab = 3e-2 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.8
+1009 nb = 0.2
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Hydroxyapatite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Barite #BaSO4 ; M 233.404 g/mol
+-start
+1 name$ = "Barite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.5e-3 #mol.m-2.s-1
+1003 Ea = 26000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Barite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Boehmite #AlO2H  : M 59.988 g/mol
+-start
+1 name$ = "Boehmite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.85 #mol.m-2.s-1
+1001 An = 4.2e-3 #mol.m-2.s-1
+1002 Ab = 5.4e-11 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Boehmite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Brucite #Mg(OH)2 ; M 58.32 g/mol
+-start
+1 name$ = "Brucite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e4 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.19
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Brucite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Celestite  #SrSO4 ; M 183.684 g/mol
+-start
+1 name$ = "Celestite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 3.8e-2 #mol.m-2.s-1
+1003 Ea = 24000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Celestite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+		
+Diaspore #AlHO2 : M 59.99 g/mol
+-start
+1 name$ = "Diaspore"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 2.85 #mol.m-2.s-1
+1001 An = 4.2e-3 #mol.m-2.s-1
+1002 Ab = 5.4e-11 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Diaspore")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Fluorite  #CaF2 ; M 78.075 g/mol
+-start
+1 name$ = "Fluorite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e6 #mol.m-2.s-1
+1003 Ea = 75000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.12
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Fluorite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Gibbsite #Al(OH)3 : M 78.00 g/mol
+-start
+1 name$ = "Gibbsite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 20.0 #mol.m-2.s-1
+1001 An = 3.0e-2 #mol.m-2.s-1
+1002 Ab = 3.0e-10 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1004 En = 60000    #J.mol-1
+1005 Eb = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 1.0
+1009 nb = -1.0
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Gibbsite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Gypsum #CaSO4:2H2O : M 172.17 g/mol
+-start
+1 name$ = "Gypsum"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.8e4 #mol.m-2.s-1
+1003 Ea = 37700    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.11
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Gypsum")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+	
+Halite #NaCl : M 58.44 g/mol
+-start
+1 name$ = "Halite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1001 An = 3.3e-4 #mol.m-2.s-1
+1004 En = -22340    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1010 Sig = 1
+		#rate equation
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2003 rplus =rplusn
+3000 rate = rplus * (1 - (SR ("Halite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Monazite-Ce #CePO4  : M 235.087 g/mol
+-start
+1 name$ = "Monazite-Ce"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.0e-4 #mol.m-2.s-1
+1001 An = 1.0e-7 #mol.m-2.s-1
+1002 Ab = 1.2e-11 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1004 En = 43000    #J.mol-1
+1005 Eb = 43000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.7
+1009 nb = -0.5
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2001 rplusn = An * exp(-En/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusn + rplusb
+3000 rate = rplus * (1 - (SR ("Monazite-Ce")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+	
+Periclase #MgO : M 40.304 g/mol
+-start
+1 name$ = "Periclase"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 1.2e4 #mol.m-2.s-1
+1003 Ea = 60000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.19
+1010 Sig = 1
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Periclase")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Pyromorphite  #Pb5(PO4)3Cl ; M 1356.365 g/mol 
+-start
+1 name$ = "Pyromorphite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 58 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.68
+1010 Sig = 5   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2003 rplus = rplusa 
+3000 rate = rplus * (1 - (SR ("Pyromorphite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+Variscite #AlPO4:2H2O ; M 157.983 g/mol
+-start
+1 name$ = "Variscite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
+##------------------Kinetic calculation---------------------##
+		# parameters
+1000 Aa = 5.0e-4 #mol.m-2.s-1
+1002 Ab = 2.4e-7 #mol.m-2.s-1
+1003 Ea = 43000    #J.mol-1
+1005 Eb = 43000 #J.mol-1
+1006 R =  8.314    #J.deg-1.mol-1
+1007 ACTI = ACT ("H+")
+1008 na = 0.3
+1009 nb = -0.3
+1010 Sig = 1   
+		#rate equation
+2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
+2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
+2003 rplus = rplusa + rplusb
+3000 rate = rplus * (1 - (SR ("Variscite")^(1/Sig)))
+4000 moles = rate * time
+5000 save moles
+-end
+
+## carbonates
+
+Aragonite   #CaCO3; M 100.0869 g/mol
+-start
+1 name$ = "Aragonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =11.025# mol.m-2.s-1
+1001 Ac = 122.5 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Aragonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Calcite   #CaCO3; M 100.0869 g/mol
+-start
+1 name$ = "Calcite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =5.625# mol.m-2.s-1
+1001 Ac = 62.5 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Calcite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Cerussite   #PbCO3; M 267.2089 g/mol
+-start
+1 name$ = "Cerussite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.55# mol.m-2.s-1
+1001 Ac = 45.45 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Cerussite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Dawsonite # NaAlCO3(OH)2 : M 144.0 g/mol
+-start
+1 name$ = "Dawsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.6e5# mol.m-2.s-1
+1001 Ac = 0.3 # mol.m-2.s-1
+1002 Ea =55000# J/mol
+1003 Eac =55000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1  
+1007 na =1
+1008 kc =0	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Dawsonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Dolomite # CaMg(CO3)2: M 184.40 g/mol !!!
+-start
+1 name$ = "Dolomite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.2e-3# mol.m-2.s-1
+1001 Ac = 650 # mol.m-2.s-1
+1002 Ea =10000# J/mol
+1003 Eac =65000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1.9  
+1007 na =0.5
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Dolomite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Gaspite # NiCO3: M 118.702 g/mol
+-start
+1 name$ = "Gaspite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.6e-6# mol.m-2.s-1
+1001 Ac = 6.73e-3 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 3.73  
+1007 na =0.55
+1008 kc =1000	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Gaspite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Magnesite # MgCO3: M 84.314 g/mol
+-start
+1 name$ = "Magnesite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =5e-4# mol.m-2.s-1
+1001 Ac = 2.7e-2 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =45000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 3.94 
+1007 na =0.66
+1008 kc =380	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Magnesite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Otavite # CdCO3: M 172.419 g/mol
+-start
+1 name$ = "Otavite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.02# mol.m-2.s-1
+1001 Ac = 11.36 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1 
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Otavite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Rhodochrosite #MnCO3  : M 114.95 g/mol
+-start
+1 name$ = "Rhodochrosite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.28e-3# mol.m-2.s-1
+1001 Ac = 0.4 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 4.65 
+1007 na =0.5
+1008 kc =1000	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Rhodochrosite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+Siderite # FeCO3: M 115.856 g/mol !!!
+-start
+1 name$ = "Siderite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2e-3# mol.m-2.s-1
+1001 Ac = 0.2 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 4
+1007 na =0.7
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Siderite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Smithsonite # ZnCO3: M 125.399 g/mol  !!!
+-start
+1 name$ = "Smithsonite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =1.94# mol.m-2.s-1
+1001 Ac = 8.89 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 2
+1007 na =1
+1008 kc =200	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Smithsonite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Strontianite # ZnCO3: M 125.399 g/mol
+-start
+1 name$ = "Strontianite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =2.2e-3# mol.m-2.s-1
+1001 Ac = 8.89 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1
+1007 na =1
+1008 kc =240	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Strontianite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+
+
+Witherite # BaCO3: M 197.349 g/mol !!!
+-start
+1 name$ = "Witherite"
+2 if (PARM(1) = 0) then  goto 3 else goto 5
+3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
+4 GOTO 100
+5 S = PARM(2)*TOT("water")
+##-----------------Dissolution and precipitation options---------------------##
+100  if (PARM(4) = 0) then  goto 1000 else goto 110 
+110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
+150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
+200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
+##------------------Kinetic calculation---------------------##
+		#Parameters
+1000 Aa =35# mol.m-2.s-1
+1001 Ac = 12 # mol.m-2.s-1
+1002 Ea =16000# J/mol
+1003 Eac =48000# J/mol
+1004 R = 8.314 #J.deg-1.mol-1
+1006 Sig = 1
+1007 na =1
+1008 kc =160	
+1009 act_c = act("HCO3-")+act("CO3-2")
+1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
+2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
+2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
+2002 rplus = rplusa + rplusc
+4000 rate = rplus * (1 - SR("Witherite")^(1/Sig)) 
+5000 moles = rate * time
+6000 save moles
+-end
+	
+###!
+
+
+
diff --git a/database/Makefile.am b/database/Makefile.am
index 25a6ba47..abe19d83 100644
--- a/database/Makefile.am
+++ b/database/Makefile.am
@@ -9,12 +9,18 @@ dist_database_DATA=$(DATABASE)
 DATABASE=\
 	Amm.dat\
 	ColdChem.dat\
+	Concrete_PHR.dat\
+	Concrete_PZ.dat\
 	core10.dat\
 	frezchem.dat\
 	iso.dat\
+	Kinec_v3.dat\
+	Kinec.v2.dat\
 	llnl.dat\
 	minteq.dat\
 	minteq.v4.dat\
+	phreeqc_rates.dat\
+	PHREEQC_ThermoddemV1.10_15Dec2020.dat\
 	phreeqc.dat\
 	pitzer.dat\
 	sit.dat\
diff --git a/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat b/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat
new file mode 100644
index 00000000..14c26011
--- /dev/null
+++ b/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat
@@ -0,0 +1,1394 @@
+# Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials
+# Authors: Barbara Lothenbach, Dmitrii Kulik, Thomas Matschei, Magdalena Balonis, Luis Baquerizo, Belay Dilnesa, George Dan Miron, Rupert J. Myers
+# Published in Cement and Concrete Research, 2018, in press
+#
+# Based on CEMDATA18 version 01 (09.10.2017) and PSI/Nagra 12/07 GEM format
+# 
+# Exported to PHREEQC format using ThermoMatch (https://bitbucket.org/gems4/thermomatch) reactions generator and export modules 
+#
+# Temperature dependence described by three-term analytical model
+# Valid range : 0 - 100°C 
+#
+#
+# Phreeqc version date: 08.05.2018
+# update 03.12.2018 - added missing phases: zeoliteP_Ca, chabazite, M075SH, M15SH, zeoliteX, natrolite, zeoliteY
+# update 08.01.2019 - corrected INFCNA formula and reaction; 23.09.2019 fixed logK to 17.4787
+# update 16.01.2019 - fixed a3 parameter from the logK analytical function (wrong converted from A[3]*ln(T) GEMS to 
+# phreeqc A[3]*log10(T); for phases aded in update update 03.12.2018)
+# update 31.03.2022 - added missing C4FeCl2H10 (Fe Friedel's salt ideal composition) and reactions for Fe(OH)3(am) and Fe(OH)3(mic) with original source
+# Hummel et al. (2002) Nagra/PSI Chemical Thermodynamic Data Base 01/01. Nagra Technical Report NTB 02-16
+#
+# for questions contact: Barbara Lothenbach (barbara.lothenbach@empa.ch); G. Dan Miron (dan.miron@psi.ch)
+
+SOLUTION_MASTER_SPECIES 
+
+
+#
+#  elemen     species	alk   gfw_formula element_gfw atomic number
+#
+
+
+Al		AlO2-	0.0	AlO2	26.981541	# 13 	
+C		CO3-2	0.0	CO3	12.0108		# 6
+# C(0)		SCN-	0.0	SCN			#
+# C(-1)		HCN	0.0	HCN			#
+C(+4)           CO3-2   2.0     CO3                     #    
+C(-4)           CH4     0.0     CH4                     #
+Alkalinity      CO3-2   1.0	Ca0.5(CO3)0.5	50.05   #	
+Ca		Ca+2	0.0	Ca	40.077999	# 20	
+Cl		Cl-	0.0	Cl	35.452999	# 17
+Cl(-1)		Cl-	0.0	Cl			#
+Cl(7)           ClO4-	0.0     ClO4		        #
+Fe		FeO2-	0.0	FeO2	55.845001	# 26
+# Fe(2)		FeS	0.0	FeS			#
+Fe(3)		FeO2-	0.0	FeO2			#	
+H		H+	0.0	H	1.00795		# 1
+H(0)		H2	0.0	H2			#    
+H(1)		H+	-1.0	H			#    	
+K		K+	0.0	K	39.098301	# 19	
+Mg		Mg+2	0.0	Mg	24.305		# 12
+N               NO3-    0.0     NO3     14.0067		# 7
+N(-3)           NH4+    0.0     NH4       		#
+N(0)		N2	0.0	N2			#
+# N(-1)         HCN	0.0	HCN			#
+N(+5)           NO3-    0.0     NO3    			#	
+Na		Na+	0.0	Na	22.989799	# 11	
+O		H2O 	0.0	O2	15.9994		# 8
+O(0)            O2      0.0     O2                 	#        
+O(-2)           H2O     0.0     H2O                 	#	
+S		SO4-2	0.0	S	32.067001	# 16
+S(-2)           HS-     1.0     HS                	#
+# S(0)		S	0.0	S			#
+S(2)            S2O3-2  0.0     S2O3               	#
+S(4)            SO3-2   0.0     SO3                	#
+S(6)            SO4-2   0.0     SO4                	#	
+Si		SiO2	0.0	SiO2	28.085501	# 14	
+Sr		Sr+2	0.0	Sr	87.620003	# 38
+E		e-	0	0.0	0		#	
+
+
+SOLUTION_SPECIES 
+
+# PMATCH MASTER SPECIES 
+
+
+AlO2-	=	AlO2-
+	-gamma 	4  0.064
+	-log_k 	0.0
+
+Ca+2	=	Ca+2
+	-gamma 	4.86  0.15
+	-log_k 	0.0
+
+Cl-	=	Cl-
+	-gamma 	3.71  0.01
+	-log_k 	0.0
+
+CO3-2	=	CO3-2
+	-gamma 	5.4  0.064
+	-log_k 	0.0
+
+e-	=	e-
+	-gamma 	9  0.064
+	-log_k 	0.0
+
+FeO2-	=	FeO2-
+	-gamma 	4  0.064
+	-log_k 	0.0
+
+H2O	=	H2O
+	-gamma	0.0  0
+	-log_k 	0.0
+
+H+	=	H+
+	-gamma 	9  0.064
+	-log_k 	0.0
+
+K+	=	K+
+	-gamma 	3.71  0.01
+	-log_k 	0.0
+
+Mg+2	=	Mg+2
+	-gamma 	5.46  0.22
+	-log_k 	0.0
+
+Na+	=	Na+
+	-gamma 	4.32  0.06
+	-log_k 	0.0
+
+NO3-	=	NO3-
+	-gamma 	3  0
+	-log_k 	0.0
+
+SiO2	=	SiO2
+	-gamma	0.0  0
+	-log_k 	0.0
+
+SO4-2	=	SO4-2
+	-gamma 	5.31  -0.07
+	-log_k 	0.0
+
+Sr+2	=	Sr+2
+	-gamma 	5.48  0.11
+	-log_k 	0.0
+
+# PMATCH SECONDARY MASTER SPECIES 
+
+
+H+ + FeO2- = FeO2H
+	-analytical_expression	29.546087 0 737.003635 -9.286176 0 0 0
+	-gamma	0.0 0
+	-log_K	9.039877
+
+H2O + SiO2 = SiO3-2 + 2H+
+	-analytical_expression	-10.000668 0 -3917.496558 0 0 0 0
+	-gamma	4 0.064
+	-log_K	-23.139999
+
+H2O + SiO2 = HSiO3- + H+
+	-analytical_expression	67.706653 0 -4741.842127 -24.899348 0 0 0
+	-gamma	4 0.064
+	-log_K	-9.810017
+
+Mg+2 + H2O = Mg(OH)+ + H+
+	-analytical_expression	-27.037806 0 -2051.344448 9.084125 0 0 0
+	-gamma	4 0.064
+	-log_K	-11.44
+
+Mg+2 + H2O + SiO2 = Mg(HSiO3)+ + H+
+	-analytical_expression	-24.956609 0 -403.475592 7.274665 0 0 0
+	-gamma	4 0.064
+	-log_K	-8.31003
+
+NO3- + 8e- + 9H+ = NH3 + 3H2O
+	-analytical_expression	-107.400094 0 42212.00396 30.601079 0 0 0
+	-gamma	0.0 0
+	-log_K	109.900031
+
+Na+ + H2O = NaOH + H+
+	-analytical_expression	40.022689 0 -4902.375428 -15.260091 0 0 0
+	-gamma	0.0 0
+	-log_K	-14.179994
+
+H2O + K+ = KOH + H+
+	-analytical_expression	55.772715 0 -5964.687625 -20.298401 0 0 0
+	-gamma	0.0 0
+	-log_K	-14.45995
+
+H2O = OH- + H+
+	-analytical_expression	69.848379 0 -6215.240028 -25.461346 0 0 0
+	-gamma	10.65 0.064
+	-log_K	-14.000072
+
+CO3-2 + NO3- + SO4-2 + 16e- + 20H+ = SCN-  + 10H2O
+	-analytical_expression	-403.337321 0 68953.389243 132.954532 0 0 0
+	-gamma	4 0.064
+	-log_K	156.933672
+
+CO3-2 + NO3- + 10e- + 13H+ = HCN + 6H2O
+	-analytical_expression	-242.754542 0 48438.203406 79.874649 0 0 0
+	-gamma	0.0 0
+	-log_K	117.350397
+
+CO3-2 + Sr+2 = Sr(CO3)
+	-analytical_expression	-62.653523 0 2074.553325 23.642085 0 0 0
+	-gamma	0.0 0
+	-log_K	2.805165
+
+CO3-2 + Sr+2 + H+ = SrHCO3+
+	-analytical_expression	-179.980045 0 9094.004136 65.062273 0 0 0
+	-gamma	4 0.064
+	-log_K	11.51358
+
+e- + 4H+ + FeO2- = Fe+2 + 2H2O
+	-analytical_expression	-122.476876 0 16777.048756 40.747293 0 0 0
+	-gamma	5.08 0.16
+	-log_K	34.619927
+
+e- + 3H+ + FeO2- = FeOH+ + H2O
+	-analytical_expression	-129.83045 0 14350.241615 43.169306 0 0 0
+	-gamma	4 0.064
+	-log_K	25.119997
+
+NO3- + 8e- + 10H+ = NH4+ + 3H2O
+	-analytical_expression	-103.801782 0 44761.476983 29.424107 0 0 0
+	-gamma	2.5 0.064
+	-log_K	119.136999
+
+SO4-2 + 2e- + 2H+ = SO3-2 + H2O
+	-analytical_expression	-16.749207 0 1175.143358 3.803176 0 0 0
+	-gamma	4.5 0
+	-log_K	-3.396962
+
+SO4-2 + Mg+2 = Mg(SO4)
+	-analytical_expression	-65.503097 0 2716.841523 23.747178 0 0 0
+	-gamma	0.0 0
+	-log_K	2.36999
+
+SO4-2 + K+ = KSO4-
+	-analytical_expression	-72.976676 0 3150.048361 25.565951 0 0 0
+	-gamma	4 0.064
+	-log_K	0.850029
+
+SO4-2 + H+ = HSO4-
+	-analytical_expression	-95.450023 0 3428.229466 34.730939 0 0 0
+	-gamma	4 0.064
+	-log_K	1.987722
+
+SO4-2 + Na+ = Na(SO4)-
+	-analytical_expression	-67.94723 0 2908.645146 23.800045 0 0 0
+	-gamma	4 0.064
+	-log_K	0.700065
+
+SO4-2 + Sr+2 = Sr(SO4)
+	-analytical_expression	-65.057619 0 2594.980137 23.699973 0 0 0
+	-gamma	0.0 0
+	-log_K	2.289927
+
+Sr+2 + H2O + SiO2 = SrSiO3 + 2H+
+	-analytical_expression	-0.03398 0 -5596.700024 0.0146 0 0 0
+	-gamma	0.0 0
+	-log_K	-18.770009
+
+Sr+2 + H2O = Sr(OH)+ + H+
+	-analytical_expression	24.083524 0 -5334.855026 -7.872656 0 0 0
+	-gamma	4 0.064
+	-log_K	-13.290021
+
+SO4-2 + e- + 5H+ + FeO2- = FeHSO4+ + 2H2O
+	-analytical_expression	-340.160684 0 26093.962654 117.331514 0 0 0
+	-gamma	4 0.064
+	-log_K	37.687879
+
+SO4-2 + e- + 4H+ + FeO2- = Fe(SO4) + 2H2O
+	-analytical_expression	-187.703581 0 19421.940132 64.431753 0 0 0
+	-gamma	0.0 0
+	-log_K	36.869911
+
+SO4-2 + 4H+ + FeO2- = Fe(SO4)+ + 2H2O
+	-analytical_expression	-179.460087 0 16269.573383 60.834841 0 0 0
+	-gamma	4 0.064
+	-log_K	25.639965
+
+SO4-2 + 2e- + 3H+ = HSO3- + H2O
+	-analytical_expression	-104.341666 0 4987.683177 36.952237 0 0 0
+	-gamma	4 0.064
+	-log_K	3.823027
+
+SO4-2 + 5H+ + FeO2- = FeHSO4+2 + 2H2O
+	-analytical_expression	-386.282594 0 27250.332754 129.707435 0 0 0
+	-gamma	4 0.064
+	-log_K	26.067958
+
+SO4-2 + 8e- + 9H+ = HS- + 4H2O
+	-analytical_expression	-135.448856 0 18639.971235 43.088749 0 0 0
+	-gamma	3.5 0.064
+	-log_K	33.690011
+
+SO4-2 + AlO2- + 4H+ = Al(SO4)+ + 2H2O
+	-analytical_expression	-92.70801 0 12391.461203 31.492469 0 0 0
+	-gamma	4 0.064
+	-log_K	26.779235
+
+SO4-2 + 8e- + 10H+ = H2S + 4H2O
+	-analytical_expression	-227.994702 0 24084.360505 75.934677 0 0 0
+	-gamma	0 0
+	-log_K	40.679974
+
+CO3-2 + Na+ + H+ = NaHCO3
+	-analytical_expression	-150.324123 0 7758.548881 54.307766 0 0 0
+	-gamma	0.0 0
+	-log_K	10.078938
+
+CO3-2 + Na+ = NaCO3-
+	-analytical_expression	-72.698173 0 4313.391269 24.046388 0 0 0
+	-gamma	4 0.064
+	-log_K	1.269963
+
+4H+ + FeO2- = Fe+3 + 2H2O
+	-analytical_expression	-117.578761 0 14084.096983 37.156205 0 0 0
+	-gamma	9 0
+	-log_K	21.599876
+
+3H+ + FeO2- = Fe(OH)+2 + H2O
+	-analytical_expression	-100.979091 0 11351.458414 33.266688 0 0 0
+	-gamma	4 0.064
+	-log_K	19.409983
+
+3Cl- + 4H+ + FeO2- = FeCl3 + 2H2O
+	-analytical_expression	-403.034321 0 27439.514698 134.865165 0 0 0
+	-gamma	0.0 0
+	-log_K	22.729861
+
+AlO2- + 2H+ = AlO+ + H2O
+	-analytical_expression	-0.423917 0 3851.729324 -0.084762 0 0 0
+	-gamma	4 0.064
+	-log_K	12.285123
+
+AlO2- + 3H+ = Al(OH)+2 + H2O
+	-analytical_expression	-67.530882 0 9473.0536 21.693818 0 0 0
+	-gamma	4 0.064
+	-log_K	17.921907
+
+AlO2- + H2O + SiO2 = AlSiO5-3 + 2H+
+	-analytical_expression	-10.000641 0 -3759.481479 0 0 0 0
+	-gamma	4 0.064
+	-log_K	-22.609995
+
+AlO2- + 3H+ + SiO2 = AlHSiO3+2 + H2O
+	-analytical_expression	49.32925 0 3459.291193 -16.35201 0 0 0 
+	-gamma	4 0.064 
+	-log_K	20.469103
+
+AlO2- + 4H+ = Al+3 + 2H2O
+	-analytical_expression	-32.960146 0 10342.694854 8.547302 0 0 0
+	-gamma	6.65 0.19
+	-log_K	22.879124
+
+2SO4-2 + AlO2- + 4H+ = Al(SO4)2- + 2H2O
+	-analytical_expression	-162.337197 0 15848.175089 55.754663 0 0 0
+	-gamma	4 0.064
+	-log_K	28.77922
+
+2SO4-2 + 8e- + 10H+ = S2O3-2 + 5H2O
+	-analytical_expression	-201.732708 0 22219.585517 66.771654 0 0 0
+	-gamma	4 0.064
+	-log_K	38.014086
+
+2H2O = O2 + 4e- + 4H+
+	-analytical_expression	-37.318475 0 -27028.699677 16.968388 0 0 0
+	-gamma	0.0 0
+	-log_K	-85.986052
+
+2e- + 2H+ = H2
+	-analytical_expression	-52.093194 0 2359.24879 16.599428 0 0 0
+	-gamma	0.0 0
+	-log_K	-3.105969
+
+2H2O + 4SiO2 = Si4O10-4 + 4H+
+	-analytical_expression	-0.000122 0 -10822.837161 0 0 0 0
+	-gamma	4 0.064
+	-log_K	-36.299995
+
+2H+ + FeO2- = FeO+ + H2O
+	-analytical_expression	-39.343808 0 6777.47262 13.151347 0 0 0
+	-gamma	4 0.064
+	-log_K	15.929981
+
+2FeO2- + 6H+ = Fe2(OH)2+4 + 2H2O
+	-analytical_expression	-228.211639 0 25217.742482 74.31241 0 0 0 
+	-gamma	4 0.064 
+	-log_K	40.249753 
+
+FeO2- + 3H+ + SiO2 = FeHSiO3+2 + H2O
+	-analytical_expression	-40.172013 0 9342.250604 12.256824 0 0 0 
+	-gamma	4 0.064 
+	-log_K	21.489856 
+
+3FeO2- + 8H+ = Fe3(OH)4+5 + 2H2O
+	-analytical_expression	-348.553863 0 39126.962643 111.468617 0 0 0 
+	-gamma	4 0.064 
+	-log_K	58.499629 
+
+2SO4-2 + 4H+ + FeO2- = Fe(SO4)2- + 2H2O
+	-analytical_expression	-249.059673 0 19527.889672 85.087253 0 0 0
+	-gamma	4 0.064
+	-log_K	26.980004
+
+SO4-2 + 8e- + 8H+ = S-2 + 4H2O
+	-analytical_expression	-154.448832 0 18639.971266 43.088749 0 0 0 
+	-gamma	4 0.064 
+	-log_K	14.690011
+
+2NO3- + 10e- + 12H+ = N2 + 6H2O
+	-analytical_expression	-258.961738 0 79047.238923 81.272772 0 0 0
+	-gamma	0.0 0
+	-log_K	207.26792
+
+AlO2- + H+ = AlO2H
+	-analytical_expression	58.704239 0 -1368.552981 -19.263945 0 0 0
+	-gamma	0.0 0
+	-log_K	6.446694
+
+Ca+2 + H2O = Ca(OH)+ + H+
+	-analytical_expression	14.192136 0 -4635.53095 -4.617086 0 0 0
+	-gamma	4 0.064.064
+	-log_K	-12.780039
+
+CO3-2 + e- + 4H+ + FeO2- = FeCO3 + 2H2O
+	-analytical_expression	-186.917805 0 19661.212978 64.650733 0 0 0
+	-gamma	0.0 0
+	-log_K	38.999888
+
+CO3-2 + Ca+2 + H+ = Ca(HCO3)+
+	-analytical_expression	-184.735846 0 9335.338708 66.625146 0 0 0
+	-gamma	4 0.064
+	-log_K	11.434569
+
+CO3-2 + Ca+2 = CaCO3
+	-analytical_expression	-62.597364 0 2198.635138 23.620516 0 0 0
+	-gamma	0.0 0
+	-log_K	3.224223
+
+CO3-2 + e- + 5H+ + FeO2- = FeHCO3+ + 2H2O
+	-analytical_expression	-308.32264 0 26778.821505 107.279171 0 0 0
+	-gamma	4 0.064
+	-log_K	46.948848
+
+CO3-2 + H+ = HCO3-
+	-analytical_expression	-81.274179 0 4730.952703 30.607236 0 0 0
+	-gamma	5.4 0
+	-log_K	10.328936
+
+CO3-2 + Mg+2 + H+ = Mg(HCO3)+
+	-analytical_expression	-188.634028 0 9470.015117 68.00288 0 0 0
+	-gamma	4 0.064
+	-log_K	11.397078
+
+CO3-2 + Mg+2 = Mg(CO3)
+	-analytical_expression	-63.463292 0 2552.360636 23.392206 0 0 0
+	-gamma	0 0
+	-log_K	2.979656
+
+CO3-2 + 8e- + 10H+ = CH4 + 3H2O
+	-analytical_expression	-246.104883 0 24658.587079 81.464185 0 0 0
+	-gamma	0 0
+	-log_K	38.17789
+
+CO3-2 + 2H+ = CO2 + H2O
+	-analytical_expression	-200.217775 0 10740.0203 73.098171 0 0 0
+	-gamma	0.0 0
+	-log_K	16.681026
+
+Ca+2 + H2O + SiO2 = CaSiO3 + 2H+
+	-analytical_expression	-10.000639 0 -2546.007503 0 0 0 0
+	-gamma	0 0
+	-log_K	-18.54
+
+Ca+2 + H2O + SiO2 = Ca(HSiO3)+ + H+
+	-analytical_expression	-20.400451 0 -822.7361 5.880359 0 0 0
+	-gamma	4 0.064
+	-log_K	-8.609958
+
+Ca+2 + SO4-2 = CaSO4
+	-analytical_expression	-64.25357 0 2770.028075 23.141785 0 0 0
+	-gamma	0.0 0
+	-log_K	2.300088
+
+Mg+2 + H2O + SiO2 = MgSiO3 + 2H+
+	-analytical_expression	124.447476 0 -10098.720791 -43.652583 0 0 0 
+	-gamma	0 0 
+	-log_K	-17.440008 
+
+Cl- + 4H2O = ClO4- + 8e- + 8H+
+	-analytical_expression	49.886974 0 -63068.038263 -10.53711 0 0 0
+	-gamma	3 0
+	-log_K	-187.715268
+
+Cl- + e- + 4H+ + FeO2- = FeCl+ + 2H2O
+	-analytical_expression	-206.567427 0 20469.070501 69.783235 0 0 0
+	-gamma	4 0.064
+	-log_K	34.759905
+
+Cl- + 4H+ + FeO2- = FeCl+2 + 2H2O
+	-analytical_expression	-190.269722 0 17206.948818 62.898167 0 0 0
+	-gamma	4 0.064
+	-log_K	23.079893
+
+2Cl- + 4H+ + FeO2- = FeCl2+ + 2H2O
+	-analytical_expression	-333.532333 0 23878.594387 112.01482 0 0 0
+	-gamma	4 0.064
+	-log_K	23.729853
+
+
+
+PHASES 
+
+
+CH4(g)
+	CH4 + 3H2O = CO3-2 + 8e- + 10H+
+	-Vm	24789.71191
+	-analytical_expression	156.470612 0 -20218.503151 -52.416322 0 0 0
+	-log_K	-41.034386
+
+CO2(g)
+	CO2 + H2O = CO3-2 + 2H+
+	-Vm	24789.71191
+	-analytical_expression	123.151237 0 -6471.092769 -48.330215 0 0 0
+	-log_K	-18.14878
+
+H2(g)
+	H2 = 2e- + 2H+
+	-Vm	24789.71191
+	-analytical_expression	-0.006568 0 0.285413 0.002204 0 0 0
+	-log_K	0
+
+H2O(g)
+	H2O = H2O
+	-Vm	24789.71191
+	-analytical_expression	-18.473651 0 2820.718831 4.244215 0 0 0
+	-log_K	1.489127
+
+H2S(g)
+	H2S + 4H2O = SO4-2 + 8e- + 10H+
+	-Vm	24789.71191
+	-analytical_expression	173.087205 0 -20865.981223 -58.499322 0 0 0
+	-log_K	-41.699938
+
+N2(g)
+	N2 + 6H2O = 2NO3- + 10e- + 12H+
+	-Vm	24789.71191
+	-analytical_expression	182.234055 0 -75312.823228 -56.614603 0 0 0
+	-log_K	-210.455352
+
+O2(g)
+	O2 + 4e- + 4H+ = 2H2O
+	-Vm	24789.71191
+	-analytical_expression	-39.356141 0 30857.471179 7.664541 0 0 0
+	-log_K	83.104854 
+
+5CA
+	(CaO)1.25(SiO2)1(Al2O3)0.125(H2O)1.625 + 2.25H+ = 1.25Ca+2 + 0.25AlO2- + 2.75H2O + SiO2
+	-Vm	57.3
+	-analytical_expression	-8.681198 0 5225.70552 2.847338 0 0 0
+	-log_K	15.88995
+
+5CNA
+	(CaO)1.25(SiO2)1(Al2O3)0.125(Na2O)0.25(H2O)1.375 + 2.75H+ = 1.25Ca+2 + 0.5Na+ + 0.25AlO2- + 2.75H2O + SiO2
+	-Vm	64.51
+	-analytical_expression	-15.798737 0 7769.891839 5.245569 0 0 0
+	-log_K	23.240018
+
+AlOHam
+	Al(OH)3 = AlO2- + H+ + H2O
+	-Vm	31.956
+	-analytical_expression	21.767964 0 -4668.909881 -8.028999 0 0 0
+	-log_K	-13.760077
+
+AlOHmic
+	Al(OH)3 = AlO2- + H+ + H2O
+	-Vm	31.956
+	-analytical_expression	18.115845 0 -3851.361281 -8.028975 0 0 0
+	-log_K	-14.670074
+
+Amor-Sl
+	SiO2 = SiO2
+	-Vm	29
+	-analytical_expression	0 0 -809.189752 0 0 0 0
+	-log_K	-2.714066
+
+Anh
+	CaSO4 = Ca+2 + SO4-2
+	-Vm	45.94
+	-analytical_expression	131.227142 0 -5228.525356 -47.707058 0 0 0
+	-log_K	-4.357536
+
+Arg
+	CaCO3 = CO3-2 + Ca+2
+	-Vm	34.15
+	-analytical_expression	130.197564 0 -5675.517045 -48.293026 0 0 0
+	-log_K	-8.336133
+
+Brc
+	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
+	-Vm	24.63
+	-analytical_expression	-21.32009 0 6782.887663 6.227777 0 0 0
+	-log_K	16.8401
+
+C2AClH5
+	Ca2AlCl(OH)6(H2O)2 + 2H+ = 2Ca+2 + Cl- + AlO2- + 6H2O
+	-Vm	136.15
+	-analytical_expression	66.786476 0 1762.591495 -23.542598 0 0 0
+	-log_K	14.365171
+
+C2AH7.5
+	Ca2Al2(OH)10(H2O)2.5 + 2H+ = 2Ca+2 + 2AlO2- + 8.5H2O
+	-Vm	179.71001
+	-analytical_expression	17.808797 0 3827.297306 -6.644028 0 0 0
+	-log_K	14.200141
+
+C2AH65
+	Ca2Al(OH)7(H2O)3 + 3H+ = 2Ca+2 + AlO2- + 8H2O
+	-Vm	137.235
+	-analytical_expression	27.662014 0 7522.207466 -9.502063 0 0 0
+	-log_K	29.376623
+
+C2S
+	(CaO)2SiO2 + 4H+ = 2Ca+2 + 2H2O + SiO2
+	-Vm	51.79
+	-analytical_expression	-4.75838 0 12467.437992 0.569296 0 0 0
+	-log_K	38.567691
+
+C3A
+	(CaO)3Al2O3 + 4H+ = 3Ca+2 + 2AlO2- + 2H2O
+	-Vm	89.217
+	-analytical_expression	71.858176 0 21788.248051 -30.009988 0 0 0
+	-log_K	71.013492
+
+C3AFS0.84H4.32
+	(AlFeO3)(Ca3O3(SiO2)0.84(H2O)4.32) + 4H+ = FeO2- + 3Ca+2 + AlO2- + 6.32H2O + 0.84SiO2
+	-Vm	145.51
+	-analytical_expression	84.816859 0 6813.298737 -34.506414 0 0 0
+	-log_K	22.280635
+
+C3AH6
+	Ca3Al2O6(H2O)6 + 4H+ = 3Ca+2 + 2AlO2- + 8H2O
+	-Vm	149.702
+	-analytical_expression	6.92717 0 11498.865007 -4.036936 0 0 0
+	-log_K	35.500282
+
+C3AS0.41H5.18
+	Ca3Al2O6(SiO2)0.41(H2O)5.18 + 4H+ = 3Ca+2 + 2AlO2- + 7.18H2O + 0.41SiO2
+	-Vm	146.12
+	-analytical_expression	15.787929 0 9382.192907 -7.403224 0 0 0
+	-log_K	28.932364
+
+C3AS0.84H4.32
+	AlCa3AlO6(SiO2)0.84(H2O)4.32 + 4H+ = 3Ca+2 + 2AlO2- + 6.32H2O + 0.84SiO2
+	-Vm	142.492
+	-analytical_expression	25.095111 0 8272.186752 -10.93384 0 0 0
+	-log_K	25.780644
+
+C3FH6
+	Ca3Fe2O6(H2O)6 + 4H+ = 2FeO2- + 3Ca+2 + 8H2O
+	-Vm	155.287
+	-analytical_expression	128.806374 0 8307.518545 -51.310648 0 0 0
+	-log_K	29.700289
+
+C3FS0.84H4.32
+	(FeFeO3)(Ca3O3(SiO2)0.84(H2O)4.32) + 4H+ = 2FeO2- + 3Ca+2 + 6.32H2O + 0.84SiO2
+	-Vm	148.523
+	-analytical_expression	145.738478 0 5354.444017 -58.078978 0 0 0
+	-log_K	19.980634
+
+C3FS1.34H3.32
+	Ca3Fe2O6(SiO2)1.34(H2O)3.32 + 4H+ = 2FeO2- + 3Ca+2 + 5.32H2O + 1.34SiO2
+	-Vm	148.523
+	-analytical_expression	155.93451 0 4156.512613 -62.109626 0 0 0
+	-log_K	16.18562
+
+C3S
+	(CaO)3SiO2 + 6H+ = 3Ca+2 + 3H2O + SiO2
+	-Vm	73.18
+	-analytical_expression	-6.720801 0 23294.175088 0.748984 0 0 0
+	-log_K	73.405906
+
+C4AClH10
+	Ca4Al2Cl2(OH)12(H2O)4 + 4H+ = 2Cl- + 4Ca+2 + 2AlO2- + 12H2O
+	-Vm	272.3
+	-analytical_expression	133.572952 0 3525.182989 -47.085195 0 0 0
+	-log_K	28.730289
+
+C4FeCl2H10
+	Ca4Fe2Cl2(OH)12(H2O)4 + 4H+ = 12H2O + 2FeO2- + 2Cl- + 4Ca+2
+	-Vm	278.04000854492 
+	-analytical_expression	251.42095310846 0 3211.1112086654 -94.8876323436921 0 0 0 
+	-log_K	27.391529
+
+C4AF
+	(CaO)4(Al2O3)(Fe2O3) + 4H+ = 2FeO2- + 4Ca+2 + 2AlO2- + 2H2O
+	-Vm	130.202
+	-analytical_expression	307.746518 0 6436.091359 -112.699532 0 0 0
+	-log_K	50.893809
+
+C4AH11
+	Ca4Al2(OH)14(H2O)4 + 6H+ = 4Ca+2 + 2AlO2- + 14H2O
+	-Vm	257.346
+	-analytical_expression	75.788218 0 15723.564353 -27.493686 0 0 0
+	-log_K	60.486292
+
+C4AH13
+	Ca4Al2(OH)14(H2O)6 + 6H+ = 4Ca+2 + 2AlO2- + 16H2O
+	-Vm	274.47001
+	-analytical_expression	55.325344 0 15044.855527 -19.004596 0 0 0
+	-log_K	58.751897
+
+C4AH19
+	Ca4Al2(OH)14(H2O)12 + 6H+ = 4Ca+2 + 2AlO2- + 22H2O
+	-Vm	368.69999
+	-analytical_expression	-11.900205 0 16241.7182 6.460722 0 0 0
+	-log_K	58.550427
+
+C4AsClH12
+	Ca4Al2Cl(SO4)0.5(OH)12(H2O)6 + 4H+ = Cl- + 4Ca+2 + 0.5SO4-2 + 2AlO2- + 14H2O
+	-Vm	288.60001
+	-analytical_expression	119.688175 0 3706.96797 -42.248411 0 0 0
+	-log_K	27.470295
+
+C4FH13
+	Ca4Fe2(OH)14(H2O)6 + 6H+ = 2FeO2- + 4Ca+2 + 16H2O
+	-Vm	285.94
+	-analytical_expression	138.614269 0 5051.345155 -41.341951 0 0 0
+	-log_K	53.250431
+
+C12A7
+	(CaO)12(Al2O3)7 + 10H+ = 12Ca+2 + 14AlO2- + 5H2O
+	-Vm	517.79999
+	-analytical_expression	523.897526 0 50319.498133 -212.361273 0 0 0
+	-log_K	166.898035
+
+CA2
+	CaO(Al2O3)2 + H2O = Ca+2 + 4AlO2- + 2H+
+	-Vm	89.04
+	-analytical_expression	153.425544 0 -10161.804838 -60.379629 0 0 0
+	-log_K	-29.744525
+
+CA
+	CaOAl2O3 = Ca+2 + 2AlO2-
+	-Vm	53.66
+	-analytical_expression	77.01585 0 -458.174791 -30.627906 0 0 0
+	-log_K	-0.026104
+
+CAH10
+	CaOAl2O3(H2O)10 = Ca+2 + 2AlO2- + 10H2O
+	-Vm	193.985
+	-analytical_expression	13.654578 0 -2505.455035 -5.191264 0 0 0
+	-log_K	-7.599997
+
+Cal
+	CaCO3 = CO3-2 + Ca+2
+	-Vm	36.934
+	-analytical_expression	130.276347 0 -5689.203921 -48.36444 0 0 0
+	-log_K	-8.479966
+
+Cls
+	SrSO4 = SO4-2 + Sr+2
+	-Vm	46.25
+	-analytical_expression	138.560301 0 -6425.421539 -49.967439 0 0 0
+	-log_K	-6.631871
+
+CSH3T-T2C
+	((CaO)0.75(SiO2)0.5(H2O)1.25)2 + 3H+ = 1.5Ca+2 + 4H2O + SiO2
+	-Vm	80.5584
+	-analytical_expression	-18.242686 0 7428.082891 7.517428 0 0 0
+	-log_K	25.270837
+
+CSH3T-T5C
+	((CaO)1(SiO2)1(H2O)2)1.25 + 2.5H+ = 1.25Ca+2 + 3.75H2O + 1.25SiO2
+	-Vm	79.2605
+	-analytical_expression	-18.519024 0 5127.78826 7.864154 0 0 0
+	-log_K	18.137305
+
+CSH3T-TobH
+	(CaO)1(SiO2)1.5(H2O)2.5 + 2H+ = Ca+2 + 3.5H2O + 1.5SiO2
+	-Vm	84.96
+	-analytical_expression	-18.821451 0 3282.489718 8.22098 0 0 0
+	-log_K	12.528815
+
+CSHQ-JenD
+	(CaO)1.5(SiO2)0.6667(H2O)2.5 + 3H+ = 1.5Ca+2 + 4H2O + 0.6667SiO2
+	-Vm	81
+	-analytical_expression	-15.591756 0 8609.739692 6.24251 0 0 0
+	-log_K	28.730362
+
+CSHQ-JenH
+	(CaO)1.3333(SiO2)1(H2O)2.1667 + 2.6666H+ = 1.3333Ca+2 + 3.5H2O + SiO2
+	-Vm	76
+	-analytical_expression	-17.10944 0 6470.553982 7.107847 0 0 0
+	-log_K	22.179305
+
+CSHQ-TobD
+	((CaO)1.25(SiO2)1(H2O)2.75)0.6667 + 1.66675H+ = 0.833375Ca+2 + 2.6668H2O + 0.6667SiO2
+	-Vm	48
+	-analytical_expression	-10.916344 0 3959.367696 4.563888 0 0 0
+	-log_K	13.655314
+
+CSHQ-TobH
+	(CaO)0.6667(SiO2)1(H2O)1.5 + 1.3334H+ = 0.6667Ca+2 + 2.1667H2O + SiO2
+	-Vm	55
+	-analytical_expression	-12.519254 0 2163.381583 5.476331 0 0 0
+	-log_K	8.286642
+
+Dis-Dol
+	CaMg(CO3)2 = 2CO3-2 + Ca+2 + Mg+2
+	-Vm	64.39
+	-analytical_expression	251.91928 0 -10035.250176 -94.890789 0 0 0
+	-log_K	-16.539822
+
+ECSH1-KSH
+	((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
+	-Vm	12.4
+	-analytical_expression	-5.730562 0 1108.807169 3.035639 0 0 0
+	-log_K	5.360034
+
+ECSH1-NaSH
+	((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
+	-Vm	10.5
+	-analytical_expression	-12.608734 0 1575.198378 5.146974 0 0 0
+	-log_K	5.270073
+
+ECSH1-SH
+	(SiO2H2O)1 = H2O + SiO2
+	-Vm	33.8
+	-analytical_expression	0 0 -775.067607 0 0 0 0
+	-log_K	-2.600016
+
+ECSH1-SrSH
+	((Sr(OH)2)1SiO2H2O)1 + 2H+ = Sr+2 + 3H2O + SiO2
+	-Vm	64
+	-analytical_expression	-14.8975 0 4225.657132 6.516963 0 0 0
+	-log_K	15.400027
+
+ECSH1-TobCa
+	((Ca(OH)2)0.8333SiO2H2O)1 + 1.6666H+ = 0.8333Ca+2 + 2.6666H2O + SiO2
+	-Vm	68
+	-analytical_expression	-13.776918 0 3023.19863 5.923868 0 0 0
+	-log_K	11.019995
+
+ECSH2-JenCa
+	((Ca(OH)2)1.6667SiO2H2O)0.6 + 2.00004H+ = 1.00002Ca+2 + 2.60004H2O + 0.6SiO2
+	-Vm	36
+	-analytical_expression	-22.977998 0 5250.037507 9.284551 0 0 0
+	-log_K	17.603574
+
+ECSH2-KSH
+	((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
+	-Vm	12.4
+	-analytical_expression	-5.730562 0 1257.985538 3.035639 0 0 0
+	-log_K	5.860381
+
+ECSH2-NaSH
+	((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
+	-Vm	10.5
+	-analytical_expression	-12.608734 0 1724.011114 5.146974 0 0 0
+	-log_K	5.769194
+
+ECSH2-SrSH
+	((Sr(OH)2)1SiO2H2O)1 + 2H+ = Sr+2 + 3H2O + SiO2
+	-Vm	64
+	-analytical_expression	-14.8975 0 4463.945549 6.516963 0 0 0
+	-log_K	16.19925
+
+ECSH2-TobCa
+	((Ca(OH)2)0.8333SiO2H2O)1 + 1.6666H+ = 0.8333Ca+2 + 2.6666H2O + SiO2
+	-Vm	68
+	-analytical_expression	-13.776918 0 3023.19863 5.923868 0 0 0
+	-log_K	11.019995
+
+ettringite
+	((H2O)2)Ca6Al2(SO4)3(OH)12(H2O)24 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 34H2O
+	-Vm	707.03003
+	-analytical_expression	249.812807 0 -9575.448133 -83.467765 0 0 0
+	-log_K	11.100288
+
+ettringite03_ss
+	(SO4)Ca2Al0.6666667(OH)4(H2O)8.6666667 + 1.3333332H+ = 2Ca+2 + SO4-2 + 0.6666667AlO2- + 11.3333333H2O + 0.0000001e- # added + 0.0000001e- to charge balance the reaction
+	-Vm	235.67699
+	-analytical_expression	83.270833 0 -3192.056993 -27.822547 0 0 0
+	-log_K	3.699287
+
+ettringite05
+	Ca3Al(SO4)1.5(OH)6(H2O)13 + 2H+ = 3Ca+2 + 1.5SO4-2 + AlO2- + 17H2O
+	-Vm	353.51501
+	-analytical_expression	124.906404 0 -4787.82619 -41.733882 0 0 0
+	-log_K	5.549801
+
+ettringite9
+	Ca6Al2(SO4)3(OH)12(H2O)3 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 11H2O
+	-Vm	360.99998
+	-analytical_expression	515.195568 0 -5706.663308 -181.076858 0 0 0
+	-log_K	47.941168
+
+Ettringite9_des
+	Ca6Al2(SO4)3(OH)12(H2O)3 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 11H2O
+	-Vm	360.99998
+	-analytical_expression	515.195568 0 -5706.663308 -181.076858 0 0 0
+	-log_K	47.941168
+
+ettringite13
+	Ca6Al2(SO4)3(OH)12(H2O)7 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 15H2O
+	-Vm	410.60001
+	-analytical_expression	411.78326 0 9912.899169 -164.096652 0 0 0
+	-log_K	38.931914
+
+Ettringite13_des
+	Ca6Al2(SO4)3(OH)12(H2O)7 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 15H2O
+	-Vm	410.60001
+	-analytical_expression	411.78326 0 9912.899169 -164.096652 0 0 0
+	-log_K	38.931914
+
+ettringite30
+	Ca6Al2(SO4)3(OH)12(H2O)24 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 32H2O
+	-Vm	707.79999
+	-analytical_expression	272.821479 0 -9993.558256 -91.956855 0 0 0
+	-log_K	11.701736
+
+Fe-ettringite05
+	Ca3Fe(SO4)1.5(OH)6(H2O)13 + 2H+ = FeO2- + 3Ca+2 + 1.5SO4-2 + 17H2O
+	-Vm	358.77998
+	-analytical_expression	197.364253 0 -8624.223942 -65.634539 0 0 0
+	-log_K	5.999868
+
+Fe-ettringite
+	Ca6Fe2(SO4)3(OH)12(H2O)26 + 4H+ = 2FeO2- + 6Ca+2 + 3SO4-2 + 34H2O
+	-Vm	717.55997
+	-analytical_expression	394.728405 0 -17248.229444 -131.269079 0 0 0
+	-log_K	12.000367
+
+Fe-hemicarbonate
+	Ca3O3Fe2O3(CaCO3)0.5(CaO2H2)0.5(H2O)9.5 + 5H+ = 2FeO2- + 0.5CO3-2 + 4Ca+2 + 12.5H2O
+	-Vm	273.393
+	-analytical_expression	193.828235 0 10447.417422 -76.660531 0 0 0
+	-log_K	39.170367
+
+Fe-monosulph05
+	Ca2FeS0.5O5(H2O)6 + 2H+ = FeO2- + 2Ca+2 + 0.5SO4-2 + 7H2O
+	-Vm	160.56999
+	-analytical_expression	120.283422 0 2063.244429 -46.465814 0 0 0
+	-log_K	12.215835
+
+Fe-monosulphate
+	Ca4Fe2SO10(H2O)12 + 4H+ = 2FeO2- + 4Ca+2 + SO4-2 + 14H2O
+	-Vm	321.13998
+	-analytical_expression	240.566801 0 4126.078131 -92.931614 0 0 0
+	-log_K	24.430286
+
+Fe
+	Fe + 2H2O = FeO2- + 3e- + 4H+
+	-Vm	7.092
+	-analytical_expression	132.340967 0 -12404.074019 -44.182581 0 0 0
+	-log_K	-18.589211
+
+Femonocarbonate
+	Ca4O4Fe2O3CO2(H2O)12 + 4H+ = 2FeO2- + CO3-2 + 4Ca+2 + 14H2O
+	-Vm	291.66599
+	-analytical_expression	249.334962 0 1093.382606 -93.590513 0 0 0
+	-log_K	21.410284
+
+FeOOHmic
+	FeOOH  = FeO2- + H+
+	-Vm	34.3055
+	-analytical_expression	100.061618 0 -8235.848429 -37.195525 0 0 0
+	-log_K	-19.600073
+
+Fe(OH)3(am)
+	Fe(OH)3 = H2O + H+ + FeO2-
+	-Vm	34.0
+	-analytical_expression	122.5787585403 0 -14084.096873518 -37.156204153846 0 0 0 
+	-log_K	-16.599876 
+
+Fe(OH)3(mic)
+	Fe(OH)3 = H2O + H+ + FeO2-
+	-Vm	34.0 
+	-analytical_expression	120.57875815185 0 -14084.096873518 -37.156204153846 0 0 0 
+	-log_K	-18.599876 
+
+FeCO3(pr)
+	FeCO3 + 2H2O = 4H+ + FeO2- + e- + CO3-2
+	-Vm	0 
+	-analytical_expression	242.999905233 0 -22598.476532107 -85.7871290067801 0 0 0 
+	-log_K	-45.070013 
+
+Gbs
+	Al(OH)3 = AlO2- + H+ + H2O
+	-Vm	31.956
+	-analytical_expression	21.767948 0 -5075.650047 -8.028994 0 0 0
+	-log_K	-15.123224
+
+Gp
+	CaSO4(H2O)2 = Ca+2 + SO4-2 + 2H2O
+	-Vm	74.69
+	-analytical_expression	111.52996 0 -5116.920989 -39.988271 0 0 0
+	-log_K	-4.580905
+
+Gr
+	C + 3H2O = CO3-2 + 4e- + 6H+
+	-Vm	5.298
+	-analytical_expression	162.956174 0 -16787.603977 -56.097644 0 0 0
+	-log_K	-32.159364
+
+Gt
+	FeO(OH) = FeO2- + H+
+	-Vm	20.82
+	-analytical_expression	107.380005 0 -11314.633767 -37.192105 0 0 0
+	-log_K	-22.599869
+
+Hem
+	Fe2O3 + H2O = 2FeO2- + 2H+
+	-Vm	30.274
+	-analytical_expression	223.79664 0 -21596.779136 -78.175762 0 0 0
+	-log_K	-42.079928
+
+hemicarbonat10.5
+	(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)10 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 13H2O
+	-Vm	261.264
+	-analytical_expression	77.626118 0 10184.22042 -27.955532 0 0 0
+	-log_K	42.602279
+
+hemicarbonate
+	(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)11.5 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 14.5H2O
+	-Vm	284.515
+	-analytical_expression	62.269608 0 9549.770855 -21.589162 0 0 0
+	-log_K	40.870354
+
+hemicarbonate9
+	(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)8.5 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 11.5H2O
+	-Vm	249.26001
+	-analytical_expression	93.058654 0 11173.871793 -34.321784 0 0 0
+	-log_K	45.601854
+
+hemihydrate
+	CaSO4(H2O)0.5 = Ca+2 + SO4-2 + 0.5H2O
+	-Vm	61.73
+	-analytical_expression	126.983644 0 -4904.135062 -46.116125 0 0 0
+	-log_K	-3.591424
+
+hydrotalcite
+	Mg4Al2O7(H2O)10 + 6H+ = 4Mg+2 + 2AlO2- + 13H2O
+	-Vm	220.2
+	-analytical_expression	-64.408885 0 14558.45083 17.606952 0 0 0
+	-log_K	27.981048
+
+INFCA
+	(CaO)1(SiO2)1.1875(Al2O3)0.15625(H2O)1.65625 + 1.6875H+ = Ca+2 + 0.3125AlO2- + 2.5H2O + 1.1875SiO2
+	-Vm	59.31
+	-analytical_expression	-4.743157 0 2835.081302 1.693048 0 0 0
+	-log_K	8.953727
+
+INFCN
+	(CaO)1(SiO2)1.5(Na2O)0.3125(H2O)1.1875 + 2.625H+ = Ca+2 + 0.625Na+ + 2.5H2O + 1.5SiO2
+	-Vm	71.07
+	-analytical_expression	-20.845546 0 6107.503138 7.727791 0 0 0
+	-log_K	18.759957
+
+INFCNA
+	(CaO)1(SiO2)1.1875(Al2O3)0.15625(Na2O)0.34375(H2O)1.3125 + 2.375H+ = 0.3125AlO2- + Ca+2 + 0.6875Na+ + 2.5H2O + 1.1875SiO2 # (CaO)1.25(SiO2)1(Al2O3)0.125(Na2O)0.25(H2O)1.375 + 2.75H+ = 1.25Ca+2 + 0.5Na+ + 0.25AlO2- + 2.75H2O + SiO2
+	-Vm	64.51
+	-analytical_expression	-14.774576 0 5861.456900 4.990089 0 0 0 # -15.798737 0 7769.891839 5.245569 0 0 0
+	-log_K	17.4787 #17.23247 # 23.240018
+
+Jennite
+	(SiO2)1(CaO)1.666667(H2O)2.1 + 3.333334H+ = 1.666667Ca+2 + 3.766667H2O + SiO2
+	-Vm	78.4
+	-analytical_expression	-19.396078 0 8669.561341 7.93557 0 0 0
+	-log_K	29.311107
+
+K2O
+	K2O + 2H+ = H2O + 2K+
+	-Vm	40.38
+	-analytical_expression	6.476756 0 22428.269631 0.967431 0 0 0
+	-log_K	84.040201
+
+K2SO4
+	K2SO4 = SO4-2 + 2K+
+	-Vm	65.5
+	-analytical_expression	135.069553 0 -7146.619808 -45.622186 0 0 0
+	-log_K	-1.789931
+
+Kln
+	Al2Si2O5(OH)4 = 2AlO2- + 2H+ + H2O + 2SiO2
+	-Vm	99.52
+	-analytical_expression	54.870319 0 -12400.265644 -20.854932 0 0 0
+	-log_K	-38.323299
+
+KSiOH
+	((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
+	-Vm	12.4
+	-analytical_expression	-5.730562 0 1187.456467 3.035639 0 0 0
+	-log_K	5.763688							# fixed from 20 to 25 C standard state
+
+Lim
+	CaO + 2H+ = Ca+2 + H2O
+	-Vm	16.764
+	-analytical_expression	-1.936052 0 10151.015229 0.193158 0 0 0
+	-log_K	32.576144
+
+M4A-OH-LDH
+	Mg4Al2(OH)14(H2O)3 + 6H+ = 4Mg+2 + 2AlO2- + 13H2O
+	-Vm	219.1
+	-analytical_expression	-64.757092 0 16457.781625 17.72704 0 0 0
+	-log_K	34.300378
+
+M6A-OH-LDH
+	Mg6Al2(OH)18(H2O)3 + 10H+ = 6Mg+2 + 2AlO2- + 17H2O
+	-Vm	305.44001
+	-analytical_expression	-107.049491 0 30008.834801 30.062691 0 0 0
+	-log_K	67.980719
+
+M8A-OH-LDH
+	Mg8Al2(OH)22(H2O)3 + 14H+ = 8Mg+2 + 2AlO2- + 21H2O
+	-Vm	392.36
+	-analytical_expression	-149.690514 0 43575.149605 42.518503 0 0 0
+	-log_K	101.660954
+
+Mag
+	FeFe2O4 + 2H2O = 3FeO2- + e- + 4H+
+	-Vm	44.524
+	-analytical_expression	342.751579 0 -34317.547939 -119.4011 0 0 0
+	-log_K	-67.799781
+
+Melanterite
+	FeSO4(H2O)7 = FeO2- + SO4-2 + e- + 4H+ + 5H2O
+	-Vm	146.5
+	-analytical_expression	42.012261 0 -13764.024167 -13.205643 0 0 0
+	-log_K	-36.829266
+
+Mg2AlC0.5OH
+	Mg2Al(OH)6(CO3)0.5(H2O)2 + 2H+ = 0.5CO3-2 + 2Mg+2 + AlO2- + 6H2O
+	-Vm	110.64
+	-analytical_expression	52.087082 0 2427.559551 -21.950718 0 0 0
+	-log_K	5.905352
+
+Mg2FeC0.5OH
+	Mg2Fe(OH)6(CO3)0.5(H2O)2 + 2H+ = FeO2- + 0.5CO3-2 + 2Mg+2 + 6H2O
+	-Vm	118.24
+	-analytical_expression	123.467564 0 -1619.112448 -45.350343 0 0 0
+	-log_K	5.819333
+
+Mg3AlC0.5OH
+	Mg3Al(OH)8(CO3)0.5(H2O)2.5 + 4H+ = 0.5CO3-2 + 3Mg+2 + AlO2- + 8.5H2O
+	-Vm	114.96
+	-analytical_expression	30.767468 0 9200.105421 -15.723139 0 0 0
+	-log_K	22.710152 
+
+Mg3FeC0.5OH
+	Mg3Fe(OH)8(CO3)0.5(H2O)2.5 + 4H+ = FeO2- + 0.5CO3-2 + 3Mg+2 + 8.5H2O
+	-Vm	119.04
+	-analytical_expression	102.147972 0 5075.604806 -39.122772 0 0 0
+	-log_K	22.364849
+
+Mgs
+	MgCO3 = CO3-2 + Mg+2
+	-Vm	28.02
+	-analytical_expression	122.077828 0 -4543.697257 -46.52635 0 0 0
+	-log_K	-8.287956
+
+monocarbonate05
+	Ca2AlC0.5O4.5(H2O)5.5 + 2H+ = 0.5CO3-2 + 2Ca+2 + AlO2- + 6.5H2O
+	-Vm	130.979
+	-analytical_expression	70.00517 0 1099.718617 -24.823618 0 0 0
+	-log_K	12.265064
+
+monocarbonate9
+	Ca4Al2CO9(H2O)9 + 4H+ = CO3-2 + 4Ca+2 + 2AlO2- + 11H2O
+	-Vm	233.56001
+	-analytical_expression	158.243914 0 4217.516791 -58.13549 0 0 0
+	-log_K	28.529678
+
+monocarbonate
+	Ca4Al2CO9(H2O)11 + 4H+ = CO3-2 + 4Ca+2 + 2AlO2- + 13H2O
+	-Vm	261.95801
+	-analytical_expression	140.009891 0 2199.460032 -49.64706 0 0 0
+	-log_K	24.530285
+
+mononitrate
+	Ca4Al2(OH)12N2O6(H2O)4 + 4H+ = 4Ca+2 + 2NO3- + 2AlO2- + 12H2O
+	-Vm	296.6
+	-analytical_expression	125.898043 0 2205.916688 -42.823015 0 0 0
+	-log_K	27.330282
+
+mononitrite
+	Ca4Al2(OH)12N2O4(H2O)4 = 4Ca+2 + 2NO3- + 4e- + 2AlO2- + 10H2O
+	-Vm	275.1
+	-analytical_expression	155.801032 0 -16841.373096 -50.526302 0 0 0
+	-log_K	-25.773636
+
+monosulphate9
+	Ca4Al2SO10(H2O)9 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 11H2O
+	-Vm	274.59999
+	-analytical_expression	159.852574 0 4550.796558 -58.584347 0 0 0
+	-log_K	30.131523
+
+monosulphate10_5
+	Ca4Al2SO10(H2O)10.5 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 12.5H2O
+	-Vm	281.6
+	-analytical_expression	145.904159 0 3409.965469 -52.21689 0 0 0
+	-log_K	28.112004
+
+monosulphate12
+	Ca4Al2SO10(H2O)12 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 14H2O
+	-Vm	310.1
+	-analytical_expression	129.176276 0 3298.866824 -45.84964 0 0 0
+	-log_K	26.766183
+
+monosulphate14
+	Ca4Al2SO10(H2O)14 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 16H2O
+	-Vm	331.6
+	-analytical_expression	102.943376 0 4849.121605 -37.359536 0 0 0
+	-log_K	26.74029
+
+monosulphate16
+	Ca4Al2SO10(H2O)16 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 18H2O
+	-Vm	350.49999
+	-analytical_expression	86.970337 0 3920.996004 -29.6115 0 0 0
+	-log_K	26.825486
+
+monosulphate1205
+	Ca2AlS0.5O5(H2O)6 + 2H+ = 2Ca+2 + 0.5SO4-2 + AlO2- + 7H2O
+	-Vm	155
+	-analytical_expression	64.588687 0 1649.307718 -22.925 0 0 0
+	-log_K	13.382785
+
+Na2O
+	Na2O + 2H+ = 2Na+ + H2O
+	-Vm	25
+	-analytical_expression	-23.111565 0 19655.835929 9.951451 0 0 0
+	-log_K	67.426798
+
+Na2SO4
+	Na2SO4 = SO4-2 + 2Na+
+	-Vm	53.33
+	-analytical_expression	88.450221 0 -3841.556012 -30.659122 0 0 0
+	-log_K	-0.276627
+
+NaSiOH
+	((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
+	-Vm	10.5
+	-analytical_expression	-12.612802 0 1646.66001 5.148192 0 0 0
+	-log_K	5.64873								# fixed from 20 to 25 C standard state
+
+Ord-Dol
+	CaMg(CO3)2 = 2CO3-2 + Ca+2 + Mg+2
+	-Vm	64.34
+	-analytical_expression	252.520277 0 -10378.423105 -94.890789 0 0 0
+	-log_K	-17.089923
+
+Portlandite
+	Ca(OH)2 + 2H+ = Ca+2 + 2H2O
+	-Vm	33.06
+	-analytical_expression	-11.299363 0 7301.394065 3.883957 0 0 0
+	-log_K	22.799937 	
+
+Py
+	FeSS + 10H2O = FeO2- + 2SO4-2 + 15e- + 20H+
+	-Vm	23.94
+	-analytical_expression	494.259016 0 -62035.882103 -164.356773 0 0 0
+	-log_K	-120.499988
+
+Qtz
+	SiO2 = SiO2
+	-Vm	22.688
+	-analytical_expression	0 0 -1117.053188 0 0 0 0
+	-log_K	-3.745943
+
+Sd
+	FeCO3 + 2H2O = FeO2- + CO3-2 + e- + 4H+
+	-Vm	29.378
+	-analytical_expression	250.136977 0 -22250.818869 -89.320508 0 0 0
+	-log_K	-45.510001
+
+straetlingite5_5
+	Ca2Al2SiO7(H2O)5.5 + 2H+ = 2Ca+2 + 2AlO2- + 6.5H2O + SiO2
+	-Vm	212.80001
+	-analytical_expression	37.907778 0 2181.475531 -15.409059 0 0 0
+	-log_K	7.084478
+
+straetlingite7
+	Ca2Al2SiO7(H2O)7 + 2H+ = 2Ca+2 + 2AlO2- + 8H2O + SiO2
+	-Vm	215.49999
+	-analytical_expression	23.157422 0 1202.259407 -9.042894 0 0 0
+	-log_K	4.808689
+
+straetlingite
+	Ca2Al2SiO7(H2O)8 + 2H+ = 2Ca+2 + 2AlO2- + 9H2O + SiO2
+	-Vm	216.11
+	-analytical_expression	11.402755 0 1366.913776 -4.798679 0 0 0
+	-log_K	4.107923
+
+Str
+	SrCO3 = CO3-2 + Sr+2
+	-Vm	39.01
+	-analytical_expression	135.252007 0 -6419.173204 -49.705385 0 0 0
+	-log_K	-9.270604
+
+Sulfur
+	S + 4H2O = SO4-2 + 6e- + 8H+
+	-Vm	15.61
+	-analytical_expression	181.434769 0 -20059.230933 -60.591388 0 0 0
+	-log_K	-35.786877
+
+syngenite
+	K2Ca(SO4)2H2O = Ca+2 + 2SO4-2 + H2O + 2K+
+	-Vm	127.54
+	-analytical_expression	256.448003 0 -12598.952713 -89.469888 0 0 0
+	-log_K	-7.200017
+
+T2C-CNASHss
+	(CaO)1.5(SiO2)1(H2O)2.5 + 3H+ = 1.5Ca+2 + 4H2O + SiO2
+	-Vm	80.6
+	-analytical_expression	-18.253184 0 7517.243302 7.519834 0 0 0
+	-log_K	25.565334
+
+T5C-CNASHss
+	(CaO)1.25(SiO2)1.25(H2O)2.5 + 2.5H+ = 1.25Ca+2 + 3.75H2O + 1.25SiO2
+	-Vm	79.3
+	-analytical_expression	-18.534936 0 5220.492792 7.869445 0 0 0
+	-log_K	18.445467
+
+thaumasite
+	(CaSiO3)(CaSO4)(CaCO3)(H2O)15 + 2H+ = CO3-2 + 3Ca+2 + SO4-2 + 16H2O + SiO2
+	-Vm	330
+	-analytical_expression	167.233706 0 -8544.402669 -56.373637 0 0 0
+	-log_K	-0.939919
+
+Tob-I
+	(SiO2)2.4(CaO)2(H2O)3.2 + 4H+ = 2Ca+2 + 5.2H2O + 2.4SiO2
+	-Vm	140.8
+	-analytical_expression	-33.40536 0 7370.767991 14.318972 0 0 0
+	-log_K	26.745369
+
+Tob-II
+	(SiO2)1(CaO)0.833333(H2O)1.333333 + 1.666666H+ = 0.833333Ca+2 + 2.166666H2O + SiO2
+	-Vm	58.7
+	-analytical_expression	-13.918819 0 3071.259317 5.96621 0 0 0
+	-log_K	11.143844
+
+TobH-CNASHss
+	(CaO)1(SiO2)1.5(H2O)2.5 + 2H+ = Ca+2 + 3.5H2O + 1.5SiO2
+	-Vm	85
+	-analytical_expression	-18.816693 0 3362.507631 8.219057 0 0 0
+	-log_K	12.797208
+
+tricarboalu03
+	(CO3)Ca2Al0.6666667(OH)4(H2O)8.6666667 + 1.3333332H+ = CO3-2 + 2Ca+2 + 0.6666667AlO2- + 11.3333333H2O + 0.0000001e- # added + 0.0000001e- to charge balance the reaction
+	-Vm	216.8
+	-analytical_expression	82.318066 0 -2586.079211 -28.479545 0 0 0
+	-log_K	3.167231
+
+Tro
+	FeS + 6H2O = FeO2- + SO4-2 + 9e- + 12H+
+	-Vm	18.2
+	-analytical_expression	314.679591 0 -38228.907533 -105.106645 0 0 0
+	-log_K	-73.61999
+
+zeoliteP_Ca
+	Ca(Al2Si2)O8(H2O)4.5 = 2AlO2- + Ca+2 + 2SiO2 + 4.5H2O 
+	-Vm 152.85 
+	-analytical_expression 132.861 0 -5357.72 -54.635048311 0 0 0
+	-log_k -20.3
+
+chabazite
+	Ca(Al2Si4)O12(H2O)6 = 2AlO2- + Ca+2 + 4SiO2 + 6H2O
+	-Vm 251.16
+	-analytical_expression 34.7164 0 -7737.68 -13.968471285 0 0 0
+	-log_K -25.8
+
+M075SH
+	Mg1.5Si2O5.5(H2O)2.5 = 1.5Mg+2 + 2SiO2 + 3OH- + H2O
+	-Vm 94.885
+	-analytical_expression 189.002 0 -12089.2 -71.567338050 0 0 0
+	-log_K -28.8
+
+M15SH
+    Mg1.5SiO3.5(H2O)2.5 = 1.5Mg+2 + 1SiO2 + 3OH- + H2O
+	-Vm 74.32
+	-analytical_expression 181.544 0 -10396.4 -68.757032944 0 0 0
+	-log_K -23.57
+
+zeoliteX
+    Na2(Al2Si2.5)O9(H2O)6.2 = 2AlO2- + 2Na+ + 2.5SiO2 + 6.2H2O
+	-Vm 213.6
+	-analytical_expression 11.7196 0 -6871.84 -3.5447606731 0 0 0
+	-log_K -20.1
+
+natrolite
+    Na2(Al2Si3)O10(H2O)2 = 2AlO2- + 2Na+ + 3SiO2 + 2H2O
+	-Vm 169.2
+	-analytical_expression 31.8586 0 -9899.44 -11.661534306 0 0 0
+	-log_K -30.2
+
+zeoliteY
+    Na2(Al2Si4)O12(H2O)8 = 2AlO2- + 2Na+ + 4SiO2 + 8H2O
+	-Vm 282.93
+	-analytical_expression -4.67273 0 -7863.67 2.4440328952 0 0 0
+	-log_K -25
diff --git a/database/Tipping_Hurley.dat b/database/Tipping_Hurley.dat
index 792e440c..471fe128 100644
--- a/database/Tipping_Hurley.dat
+++ b/database/Tipping_Hurley.dat
@@ -1,1397 +1,1401 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\Tipping_Hurley.dat, 11/09/2013  23:05, 4134 lines, 111410 bytes, md5=ffec89dbc1a8a57aec1a0f8e2fc8f922
+# Created 17 May 2024 14:30:44
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "Tipping_Hurley.dat"
+
 #  $Id: wateq4f.dat 6895 2012-08-21 18:10:05Z dlpark $
 # Revised arsenic data from Archer and Nordstrom (2002)
 
 SOLUTION_MASTER_SPECIES
 
-Ag       Ag+            0.0     107.868         107.868
-Al       Al+3           0.0     26.9815         26.9815
-Alkalinity CO3-2        1.0     50.05           50.05
-As       H3AsO4        -1.0     74.9216         74.9216
-As(+3)   H3AsO3         0.0     74.9216         74.9216
-As(+5)   H3AsO4        -1.0     74.9216
-B        H3BO3          0.0     10.81           10.81
-Ba       Ba+2           0.0     137.34          137.34
-Br       Br-            0.0     79.904          79.904
-C        CO3-2          2.0     61.0173         12.0111
-C(+4)    CO3-2          2.0     61.0173
-C(-4)    CH4            0.0     16.042
-Ca       Ca+2           0.0     40.08           40.08
-Cd       Cd+2           0.0     112.4           112.4
-Cl       Cl-            0.0     35.453          35.453
-Cs       Cs+            0.0     132.905         132.905
-Cu       Cu+2           0.0     63.546          63.546
-Cu(+1)   Cu+1           0.0     63.546          
-Cu(+2)   Cu+2           0.0     63.546          
-E        e-             0.0     0.0             0.0
-F        F-             0.0     18.9984         18.9984
-Fe       Fe+2           0.0     55.847          55.847
-Fe(+2)   Fe+2           0.0     55.847
-Fe(+3)   Fe+3           -2.0    55.847
-Fulvate  Fulvate-2      0.0     650.            650.
-H        H+             -1.     1.008           1.008
-H(0)     H2             0.0     1.008
-H(1)     H+             -1.     1.008
-Humate   Humate-2       0.0     2000.           2000.
-I        I-             0.0     126.9044        126.9044
-K        K+             0.0     39.102          39.102
-Li       Li+            0.0     6.939           6.939
-Mg       Mg+2           0.0     24.312          24.312
-Mn       Mn+2           0.0     54.938          54.938
-Mn(2)    Mn+2           0.0     54.938
-Mn(3)    Mn+3           0.0     54.938
-Mn(6)    MnO4-2         0.0     54.938
-Mn(7)    MnO4-          0.0     54.938
-N        NO3-           0.0     14.0067         14.0067
-N(-3)    NH4+           0.0     14.0067
-N(0)     N2             0.0     14.0067
-N(+3)    NO2-           0.0     14.0067
-N(+5)    NO3-           0.0     14.0067
-Na       Na+            0.0     22.9898         22.9898
-Ni       Ni+2           0.0     58.71           58.71
-O        H2O            0.0     16.00           16.00
-O(-2)    H2O            0.0     18.016
-O(0)     O2             0.0     16.00
-P        PO4-3          2.0     30.9738         30.9738
-Pb       Pb+2           0.0     207.19          207.19
-Rb       Rb+            0.0     85.47           85.47
-S        SO4-2          0.0     96.0616         32.064
-S(-2)    H2S            0.0     32.064
-S(6)     SO4-2          0.0     96.0616
-Se       SeO4-2         0.0     78.96           78.96
-Se(-2)   HSe-           0.0     78.96
-Se(4)    SeO3-2         0.0     78.96
-Se(6)    SeO4-2         0.0     78.96
-Si       H4SiO4         0.0     60.0843         28.0843
-Sr       Sr+2           0.0     87.62           87.62
-Zn       Zn+2           0.0     65.37           65.37
-U        UO2+2          0.0     238.0290        238.0290
-U(3)     U+3            0.0     238.0290        238.0290
-U(4)     U+4            0.0     238.0290        238.0290
-U(5)     UO2+           0.0     238.0290        238.0290
-U(6)     UO2+2          0.0     238.0290        238.0290
+Ag Ag+ 0 107.868 107.868
+Al Al+3 0 26.9815 26.9815
+Alkalinity CO3-2 1 50.05 50.05
+As H3AsO4 -1 74.9216 74.9216
+As(+3) H3AsO3 0 74.9216 74.9216
+As(+5) H3AsO4 -1 74.9216
+B H3BO3 0 10.81 10.81
+Ba Ba+2 0 137.34 137.34
+Br Br- 0 79.904 79.904
+C CO3-2 2 61.0173 12.0111
+C(+4) CO3-2 2 61.0173
+C(-4) CH4 0 16.042
+Ca Ca+2 0 40.08 40.08
+Cd Cd+2 0 112.4 112.4
+Cl Cl- 0 35.453 35.453
+Cs Cs+ 0 132.905 132.905
+Cu Cu+2 0 63.546 63.546
+Cu(+1) Cu+1 0 63.546
+Cu(+2) Cu+2 0 63.546
+E e- 1 0 0
+F F- 0 18.9984 18.9984
+Fe Fe+2 0 55.847 55.847
+Fe(+2) Fe+2 0 55.847
+Fe(+3) Fe+3 -2 55.847
+Fulvate Fulvate-2 0 650 650
+H H+ -1 1.008 1.008
+H(0) H2 0 1.008
+H(1) H+ -1 1.008
+Humate Humate-2 0 2000 2000
+I I- 0 126.9044 126.9044
+K K+ 0 39.102 39.102
+Li Li+ 0 6.939 6.939
+Mg Mg+2 0 24.312 24.312
+Mn Mn+2 0 54.938 54.938
+Mn(2) Mn+2 0 54.938
+Mn(3) Mn+3 0 54.938
+Mn(6) MnO4-2 0 54.938
+Mn(7) MnO4- 0 54.938
+N NO3- 0 14.0067 14.0067
+N(-3) NH4+ 0 14.0067
+N(0) N2 0 14.0067
+N(+3) NO2- 0 14.0067
+N(+5) NO3- 0 14.0067
+Na Na+ 0 22.9898 22.9898
+Ni Ni+2 0 58.71 58.71
+O H2O 0 16 16
+O(-2) H2O 0 18.016
+O(0) O2 0 16
+P PO4-3 2 30.9738 30.9738
+Pb Pb+2 0 207.19 207.19
+Rb Rb+ 0 85.47 85.47
+S SO4-2 0 96.0616 32.064
+S(-2) H2S 0 32.064
+S(6) SO4-2 0 96.0616
+Se SeO4-2 0 78.96 78.96
+Se(-2) HSe- 0 78.96
+Se(4) SeO3-2 0 78.96
+Se(6) SeO4-2 0 78.96
+Si H4SiO4 0 60.0843 28.0843
+Sr Sr+2 0 87.62 87.62
+Zn Zn+2 0 65.37 65.37
+U UO2+2 0 238.029 238.029
+U(3) U+3 0 238.029 238.029
+U(4) U+4 0 238.029 238.029
+U(5) UO2+ 0 238.029 238.029
+U(6) UO2+2 0 238.029 238.029
 
 SOLUTION_SPECIES
 
 #H+ primary master species
         H+ = H+
-        log_k           0.0
-        -gamma    9.0    0.0
+        log_k 0
+        -gamma 9 0
 
 #e- primary master species
         e- = e-
-        log_k           0.0
+        log_k 0
 
 #H2O primary master species
         H2O = H2O
-        log_k           0.0
+        log_k 0
 
 #Ag+ primary master species
         Ag+ = Ag+
-        log_k           0.0
+        log_k 0
 
 #Al+3 primary master species
         Al+3 = Al+3
-        log_k           0.0
-        -gamma  9.0     0.0 
+        log_k 0
+        -gamma 9 0
 
 #H3AsO4 primary master species
         H3AsO4 = H3AsO4
-        log_k           0.0
+        log_k 0
 
 #H3BO3 primary master species
         H3BO3 = H3BO3
-        log_k           0.0
+        log_k 0
 
 #Ba+2 primary master species
         Ba+2 = Ba+2
-        log_k           0.0
-        -gamma  5.0     0.0 
+        log_k 0
+        -gamma 5 0
 
 #Br- primary master species
         Br- = Br-
-        log_k           0.0
+        log_k 0
 
 #CO3-2 primary master species
         CO3-2 = CO3-2
-        log_k           0.0
-        -gamma  5.4     0.0
+        log_k 0
+        -gamma 5.4 0
 
 #Ca+2 primary master species
         Ca+2 = Ca+2
-        log_k           0.0
-        -gamma  5.0     0.165
+        log_k 0
+        -gamma 5 0.165
 
 #Cd+2 primary master species
         Cd+2 = Cd+2
-        log_k           0.0
+        log_k 0
 
 #Cl- primary master species
         Cl- = Cl-
-        log_k           0.0
-        -gamma  3.5     0.015
+        log_k 0
+        -gamma 3.5 0.015
 
 #Cs+ primary master species
         Cs+ = Cs+
-        log_k           0.0
+        log_k 0
 
 #Cu+2 primary master species
         Cu+2 = Cu+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #F- primary master species
         F- = F-
-        log_k           0.0
-        -gamma  3.5     0.0 
+        log_k 0
+        -gamma 3.5 0
 
 #Fe+2 primary master species
         Fe+2 = Fe+2
-        log_k           0.0
-        -gamma  6.0     0.0
-        
+        log_k 0
+        -gamma 6 0
+
 #Fulvate-2 primary master species
         Fulvate-2 = Fulvate-2
-        log_k           0.0
+        log_k 0
 
 #Humate-2 primary master species
         Humate-2 = Humate-2
-        log_k           0.0
+        log_k 0
 
 #I- primary master species
         I- = I-
-        log_k           0.0
+        log_k 0
 
 #K+ primary master species
         K+ = K+
-        log_k           0.0
-        -gamma  3.5     0.015
+        log_k 0
+        -gamma 3.5 0.015
 
 #Li+ primary master species
         Li+ = Li+
-        log_k           0.0
-        -gamma  6.0     0.0 
+        log_k 0
+        -gamma 6 0
 
 #Mg+2 primary master species
         Mg+2 = Mg+2
-        log_k           0.0
-        -gamma  5.5     0.200
+        log_k 0
+        -gamma 5.5 0.2
 
 #Mn+2 primary master species
         Mn+2 = Mn+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #NO3- primary master species
         NO3- = NO3-
-        log_k           0.0
-        -gamma  3.0     0.0 
+        log_k 0
+        -gamma 3 0
 
 #Na+ primary master species
         Na+ = Na+
-        log_k           0.0
-        -gamma  4.0     0.075
+        log_k 0
+        -gamma 4 0.075
 
 #Ni+2 primary master species
         Ni+2 = Ni+2
-        log_k           0.0
+        log_k 0
 
 #PO4-3 primary master species
         PO4-3 = PO4-3
-        log_k           0.0
-        -gamma  5.0     0.0 
+        log_k 0
+        -gamma 5 0
 
 #Pb+2 primary master species
         Pb+2 = Pb+2
-        log_k           0.0
+        log_k 0
 
 #Rb+ primary master species
         Rb+ = Rb+
-        log_k           0.0
+        log_k 0
 
 #SO4-2 primary master species
         SO4-2 = SO4-2
-        log_k           0.0
-        -gamma  5.0     -0.040
+        log_k 0
+        -gamma 5 -0.04
 
 #SeO4-2 primary master species
         SeO4-2 = SeO4-2
-        log_k           0.0
+        log_k 0
 
 #H4SiO4 primary master species
         H4SiO4 = H4SiO4
-        log_k           0.0
+        log_k 0
 
 #Sr+2 primary master species
         Sr+2 = Sr+2
-        log_k           0.0
-        -gamma  5.26    0.121
+        log_k 0
+        -gamma 5.26 0.121
 
 #UO2+2 primary master species
         UO2+2 = UO2+2
-        log_k           0.0
+        log_k 0
 
 #Zn+2 primary master species
         Zn+2 = Zn+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #Fe+3 secondary master species  0
-        Fe+2 = Fe+3 + e- 
-        log_k           -13.020
-        delta_h 9.680 kcal
-        -gamma  9.0     0.0
+        Fe+2 = Fe+3 + e-
+        log_k -13.02
+        delta_h 9.68 kcal
+        -gamma 9 0
 
 #FeOH+2              1
-        Fe+3 + H2O = FeOH+2 + H+ 
-        log_k           -2.19
+        Fe+3 + H2O = FeOH+2 + H+
+        log_k -2.19
         delta_h 10.4 kcal
-        -gamma  5.0     0.0        
+        -gamma 5 0
 
 #FeOH+               2
-        Fe+2 + H2O = FeOH+ + H+ 
-        log_k           -9.5
+        Fe+2 + H2O = FeOH+ + H+
+        log_k -9.5
         delta_h 13.2 kcal
-        -gamma  5.0     0.0   
+        -gamma 5 0
 
 #Fe(OH)3-            3
-        Fe+2 + 3H2O = Fe(OH)3- + 3H+ 
-        log_k           -31.0
+        Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+        log_k -31
         delta_h 30.3 kcal
-        -gamma  5.0     0.0   
+        -gamma 5 0
 
 #FeSO4+              4
-        Fe+3 + SO4-2 = FeSO4+ 
-        log_k           4.04
+        Fe+3 + SO4-2 = FeSO4+
+        log_k 4.04
         delta_h 3.91 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #FeCl+2              5
-        Fe+3 + Cl- = FeCl+2 
-        log_k           1.48
+        Fe+3 + Cl- = FeCl+2
+        log_k 1.48
         delta_h 5.6 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #FeCl2+              6
-        Fe+3 + 2Cl- = FeCl2+ 
-        log_k           2.13
+        Fe+3 + 2 Cl- = FeCl2+
+        log_k 2.13
 
 #FeCl3               7
-        Fe+3 + 3Cl- = FeCl3 
-        log_k           1.13
+        Fe+3 + 3 Cl- = FeCl3
+        log_k 1.13
 
 #FeSO4               8
-        Fe+2 + SO4-2 = FeSO4 
-        log_k           2.25
+        Fe+2 + SO4-2 = FeSO4
+        log_k 2.25
         delta_h 3.23 kcal
 
 #H3SiO4-             13
-        H4SiO4 = H3SiO4- + H+ 
-        log_k           -9.83
+        H4SiO4 = H3SiO4- + H+
+        log_k -9.83
         delta_h 6.12 kcal
-        -analytical     -302.3724       -0.050698       15669.69        108.18466       -1119669.0
-        -gamma  4.0     0.0 
+        -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669
+        -gamma 4 0
 
 #H2SiO4-2            14
-        H4SiO4 = H2SiO4-2 + 2H+
-        log_k           -23.0
+        H4SiO4 = H2SiO4-2 + 2 H+
+        log_k -23
         delta_h 17.6 kcal
-        -analytical -294.0184   -0.07265        11204.49        108.18466       -1119669.0
-        -gamma  5.4     0.0 
+        -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669
+        -gamma 5.4 0
 
 #HPO4-2              15
         H+ + PO4-3 = HPO4-2
-        log_k           12.346
+        log_k 12.346
         delta_h -3.53 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #H2PO4-              16
-        2H+ + PO4-3 = H2PO4-
-        log_k           19.553
+        2 H+ + PO4-3 = H2PO4-
+        log_k 19.553
         delta_h -4.52 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgF+                22
-        Mg+2 + F- = MgF+ 
-        log_k           1.82
+        Mg+2 + F- = MgF+
+        log_k 1.82
         delta_h 3.2 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #CaSO4               23
-        Ca+2 + SO4-2 = CaSO4 
-        log_k           2.3
+        Ca+2 + SO4-2 = CaSO4
+        log_k 2.3
         delta_h 1.65 kcal
 
 #MgOH+               24
-        Mg+2 + H2O = MgOH+ + H+ 
-        log_k           -11.44
+        Mg+2 + H2O = MgOH+ + H+
+        log_k -11.44
         delta_h 15.952 kcal
-        -gamma  6.5     0.0 
+        -gamma 6.5 0
 
 #H3BO3               25
         H3BO3 = H2BO3- + H+
-        log_k           -9.24
+        log_k -9.24
         delta_h 3.224 kcal
 #       -analytical 24.3919    0.012078   -1343.9    -13.2258
-        -gamma  2.5     0.0 
+        -gamma 2.5 0
 
 #NH3                 26
-        NH4+ = NH3 + H+ 
-        log_k           -9.252
+        NH4+ = NH3 + H+
+        log_k -9.252
         delta_h 12.48 kcal
-        -analytic    0.6322    -0.001225    -2835.76
-        -gamma  2.5     0.0 
+        -analytic 0.6322 -0.001225 -2835.76
+        -gamma 2.5 0
 
 #NaHPO4-             30
         Na+ + HPO4-2 = NaHPO4-
-        log_k           0.29
-        -gamma  5.4     0.0 
+        log_k 0.29
+        -gamma 5.4 0
 
 #KHPO4-              32
         K+ + HPO4-2 = KHPO4-
-        log_k           0.29
-        -gamma  5.4     0.0 
+        log_k 0.29
+        -gamma 5.4 0
 
 #MgHPO4              33
-        Mg+2 + HPO4-2 = MgHPO4 
-        log_k           2.87
+        Mg+2 + HPO4-2 = MgHPO4
+        log_k 2.87
         delta_h 3.3 kcal
 
 #CaHPO4              34
-        Ca+2 + HPO4-2 = CaHPO4 
-        log_k           2.739
+        Ca+2 + HPO4-2 = CaHPO4
+        log_k 2.739
         delta_h 3.3 kcal
 
 #CH4 secondary master species
         CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
-        log_k           41.071
-        delta_h -61.039  kcal
+        log_k 41.071
+        delta_h -61.039 kcal
 
 #H2CO3               35
-#       HCO3- + H+ = H2CO3 
+#       HCO3- + H+ = H2CO3
 #       log_k           6.351
 #       delta_h -2.247 kcal
 #       -analytical     356.3094        0.06091960      -21834.37       -126.8339       1684915.0
 
 #CO2     could be used instead of H2CO3
         CO3-2 + 2 H+ = CO2 + H2O
-        log_k           16.681
+        log_k 16.681
         delta_h -5.738 kcal
-        -analytical     464.1965       0.09344813  -26986.16    -165.75951      2248628.9
+        -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 
 #HCO3-               68
-        H+ + CO3-2 = HCO3- 
-        log_k           10.329
+        H+ + CO3-2 = HCO3-
+        log_k 10.329
         delta_h -3.561 kcal
-        -analytical     107.8871        0.03252849      -5151.79        -38.92561       563713.9
-        -gamma  5.4     0.0
+        -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+        -gamma 5.4 0
 
 #NaCO3-              69
-        Na+ + CO3-2 = NaCO3- 
-        log_k           1.27
+        Na+ + CO3-2 = NaCO3-
+        log_k 1.27
         delta_h 8.91 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #NaHCO3              70
-        Na+ + HCO3- = NaHCO3 
-        log_k           -0.25
+        Na+ + HCO3- = NaHCO3
+        log_k -0.25
 
 #NaSO4-              71
         Na+ + SO4-2 = NaSO4-
-        log_k           0.7
+        log_k 0.7
         delta_h 1.12 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #KSO4-               72
         K+ + SO4-2 = KSO4-
-        log_k           0.85
+        log_k 0.85
         delta_h 2.25 kcal
-        -analytical      3.106  0.0   -673.6
-        -gamma  5.4     0.0 
+        -analytical 3.106 0 -673.6
+        -gamma 5.4 0
 
 #MgCO3               73
-        Mg+2 + CO3-2 = MgCO3 
-        log_k           2.98
+        Mg+2 + CO3-2 = MgCO3
+        log_k 2.98
         delta_h 2.713 kcal
-        -analytical     0.9910          0.00667
+        -analytical 0.991 0.00667
 
 #MgHCO3+             74
         Mg+2 + HCO3- = MgHCO3+
-        log_k           1.07
+        log_k 1.07
         delta_h 0.79 kcal
-        -analytical     -59.215         0.0     2537.455        20.92298        0.0
-        -gamma  4.0     0.0 
+        -analytical -59.215 0 2537.455 20.92298 0
+        -gamma 4 0
 
 #MgSO4               75
-        Mg+2 + SO4-2 = MgSO4 
-        log_k           2.37
+        Mg+2 + SO4-2 = MgSO4
+        log_k 2.37
         delta_h 4.55 kcal
 
 #CaOH+               76
-        Ca+2 + H2O = CaOH+ + H+ 
-        log_k           -12.78
-        -gamma  6.0     0.0 
+        Ca+2 + H2O = CaOH+ + H+
+        log_k -12.78
+        -gamma 6 0
 
 #CaHCO3+             77
         Ca+2 + HCO3- = CaHCO3+
-        log_k           1.106
+        log_k 1.106
         delta_h 2.69 kcal
-        -analytical     1209.12         0.31294         -34765.05       -478.782        0.0
-        -gamma  6.0     0.0 
+        -analytical 1209.12 0.31294 -34765.05 -478.782 0
+        -gamma 6 0
 
 #CaCO3               78
-        Ca+2 + CO3-2 = CaCO3 
-        log_k           3.224
+        Ca+2 + CO3-2 = CaCO3
+        log_k 3.224
         delta_h 3.545 kcal
-        -analytical     -1228.732       -0.299444       35512.75        485.818         0.0
+        -analytical -1228.732 -0.299444 35512.75 485.818 0
 
 #SrHCO3+             79
-        Sr+2 + HCO3- = SrHCO3+ 
-        log_k           1.18
+        Sr+2 + HCO3- = SrHCO3+
+        log_k 1.18
         delta_h 6.05 kcal
-        -analytical     -3.248  0.014867        0.0     0.0     0.0
-        -gamma  5.4     0.0
+        -analytical -3.248 0.014867 0 0 0
+        -gamma 5.4 0
 
 #AlOH+2              80
-        Al+3 + H2O = AlOH+2 + H+ 
-        log_k           -5.0
+        Al+3 + H2O = AlOH+2 + H+
+        log_k -5
         delta_h 11.49 kcal
-        -analytical     -38.253         0.0     -656.27         14.327  0.0
-        -gamma  5.4     0.0 
+        -analytical -38.253 0 -656.27 14.327 0
+        -gamma 5.4 0
 
 #Al(OH)2+            81
-        Al+3 + 2H2O = Al(OH)2+ + 2H+ 
-        log_k           -10.1
+        Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+        log_k -10.1
         delta_h 26.9 kcal
-        -analytical     88.5    0.0     -9391.6         -27.121         0.0
-        -gamma  5.4     0.0 
+        -analytical 88.5 0 -9391.6 -27.121 0
+        -gamma 5.4 0
 
 #Al(OH)3             336
-        Al+3 + 3H2O = Al(OH)3 + 3H+ 
-        log_k           -16.9
+        Al+3 + 3 H2O = Al(OH)3 + 3 H+
+        log_k -16.9
         delta_h 39.89 kcal
-        -analytical     226.374         0.0     -18247.8        -73.597         0.0
+        -analytical 226.374 0 -18247.8 -73.597 0
 
 #Al(OH)4-            82
-        Al+3 + 4H2O = Al(OH)4- + 4H+ 
-        log_k           -22.7
+        Al+3 + 4 H2O = Al(OH)4- + 4 H+
+        log_k -22.7
         delta_h 42.3 kcal
-        -analytical     51.578          0.0     -11168.9        -14.865         0.0
-        -gamma  4.5     0.0 
+        -analytical 51.578 0 -11168.9 -14.865 0
+        -gamma 4.5 0
 
 #AlF+2               83
-        Al+3 + F- = AlF+2 
-        log_k           7.0
+        Al+3 + F- = AlF+2
+        log_k 7
         delta_h 1.06 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #AlF2+               84
-        Al+3 + 2F- = AlF2+ 
-        log_k           12.7
+        Al+3 + 2 F- = AlF2+
+        log_k 12.7
         delta_h 1.98 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #AlF3                85
-        Al+3 + 3F- = AlF3 
-        log_k           16.8
+        Al+3 + 3 F- = AlF3
+        log_k 16.8
         delta_h 2.16 kcal
 
 #AlF4-               86
-        Al+3 + 4F- = AlF4- 
-        log_k           19.4
+        Al+3 + 4 F- = AlF4-
+        log_k 19.4
         delta_h 2.2 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #AlSO4+              87
         Al+3 + SO4-2 = AlSO4+
-        log_k           3.5
+        log_k 3.5
         delta_h 2.29 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #Al(SO4)2-           88
-        Al+3 + 2SO4-2 = Al(SO4)2-
-        log_k           5.0
+        Al+3 + 2 SO4-2 = Al(SO4)2-
+        log_k 5
         delta_h 3.11 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #HSO4-               89
-        H+ + SO4-2 = HSO4- 
-        log_k           1.988
+        H+ + SO4-2 = HSO4-
+        log_k 1.988
         delta_h 3.85 kcal
-        -analytical     -56.889         0.006473        2307.9          19.8858         0.0
-        -gamma  4.5     0.0 
+        -analytical -56.889 0.006473 2307.9 19.8858 0
+        -gamma 4.5 0
 
 #H2S secondary master species   90
-        SO4-2 + 10H+ + 8e- = H2S + 4H2O 
-        log_k           40.644
+        SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O
+        log_k 40.644
         delta_h -65.44 kcal
 
 #HS-                 91
-        H2S = HS- + H+ 
-        log_k           -6.994
+        H2S = HS- + H+
+        log_k -6.994
         delta_h 5.3 kcal
-        -analytical  11.17   -0.02386  -3279.0
-        -gamma  3.5     0.0 
+        -analytical 11.17 -0.02386 -3279
+        -gamma 3.5 0
 
 #S-2                 92
-        HS- = S-2 + H+ 
-        log_k           -12.918
+        HS- = S-2 + H+
+        log_k -12.918
         delta_h 12.1 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #oxy                 93
-#       0.5H2O = 0.25O2 + H+ + e- 
+#       0.5H2O = 0.25O2 + H+ + e-
 #       log_k           -20.780
 #       delta_h 34.157000 kcal
 
 #O2 secondary master species
-        2H2O = O2 + 4H+ + 4e- 
-        log_k           -86.08
+        2 H2O = O2 + 4 H+ + 4 e-
+        log_k -86.08
         delta_h 134.79 kcal
 
 #H2 secondary master species
         2 H+ + 2 e- = H2
-        log_k           -3.15
+        log_k -3.15
         delta_h -1.759 kcal
 
 #Fe(OH)2+            102
-        Fe+3 + 2H2O = Fe(OH)2+ + 2H+ 
-        log_k           -5.67
+        Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+        log_k -5.67
         delta_h 17.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #Fe(OH)3             103
-        Fe+3 + 3H2O = Fe(OH)3 + 3H+ 
-        log_k           -12.56
+        Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+        log_k -12.56
         delta_h 24.8 kcal
 
 #Fe(OH)4-            104
-        Fe+3 + 4H2O = Fe(OH)4- + 4H+ 
-        log_k           -21.6
+        Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+        log_k -21.6
         delta_h 31.9 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #Fe(OH)2             105
-        Fe+2 + 2H2O = Fe(OH)2 + 2H+ 
-        log_k           -20.57
+        Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+        log_k -20.57
         delta_h 28.565 kcal
 
 #FeH2PO4+            120
-        Fe+2 + H2PO4- = FeH2PO4+ 
-        log_k           2.7
-        -gamma  5.4     0.0 
+        Fe+2 + H2PO4- = FeH2PO4+
+        log_k 2.7
+        -gamma 5.4 0
 
 #CaPO4-              121
         Ca+2 + PO4-3 = CaPO4-
-        log_k           6.459
+        log_k 6.459
         delta_h 3.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #CaH2PO4+            122
         Ca+2 + H2PO4- = CaH2PO4+
-        log_k           1.408
+        log_k 1.408
         delta_h 3.4 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgPO4-              123
         Mg+2 + PO4-3 = MgPO4-
-        log_k           6.589
+        log_k 6.589
         delta_h 3.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgH2PO4+            124
         Mg+2 + H2PO4- = MgH2PO4+
-        log_k           1.513
+        log_k 1.513
         delta_h 3.4 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #LiSO4-              126
         Li+ + SO4-2 = LiSO4-
-        log_k           0.64
-        -gamma  5.0     0.0 
+        log_k 0.64
+        -gamma 5 0
 
 #N2  secondary master species
         2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
-        log_k           207.080
-        delta_h -312.130 kcal
+        log_k 207.08
+        delta_h -312.13 kcal
 
 #NH4 secondary master species 127
-        NO3- + 10H+ + 8e- = NH4+ + 3H2O 
-        log_k           119.077
+        NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+        log_k 119.077
         delta_h -187.055 kcal
 
 #SrOH+               129
-        Sr+2 + H2O = SrOH+ + H+ 
-        log_k           -13.29
-        -gamma  5.0     0.0
+        Sr+2 + H2O = SrOH+ + H+
+        log_k -13.29
+        -gamma 5 0
 
 #BaOH+               130
-        Ba+2 + H2O = BaOH+ + H+ 
-        log_k           -13.47
-        -gamma  5.0     0.0 
+        Ba+2 + H2O = BaOH+ + H+
+        log_k -13.47
+        -gamma 5 0
 
 #NH4SO4-             131
-        NH4+ + SO4-2 = NH4SO4- 
-        log_k           1.11
-        -gamma  5.0     0.0
+        NH4+ + SO4-2 = NH4SO4-
+        log_k 1.11
+        -gamma 5 0
 
 #SrCO3               135
-        Sr+2 + CO3-2 = SrCO3 
-        log_k           2.81
+        Sr+2 + CO3-2 = SrCO3
+        log_k 2.81
         delta_h 5.22 kcal
-        -analytical     -1.019          0.012826        0.0     0.0     0.0
-        -gamma  5.0     0.0
+        -analytical -1.019 0.012826 0 0 0
+        -gamma 5 0
 
 #O2Sato              136
-#       0.5H2O = 0.25O2(aq) + H+ + e- 
+#       0.5H2O = 0.25O2(aq) + H+ + e-
 #       log_k           -11.385
 
 #CO2                 137
-#       CO2 (g) + H2O = H2CO3 
+#       CO2 (g) + H2O = H2CO3
 #        -1.468 -4.776  108.38650       0.01985076      -6919.530       -40.45154       -669365.0
 
 #FeHPO4              138
         Fe+2 + HPO4-2 = FeHPO4
-        log_k           3.6
+        log_k 3.6
 
 #FeHPO4+             139
-        Fe+3 + HPO4-2 = FeHPO4+ 
-        log_k           5.43
+        Fe+3 + HPO4-2 = FeHPO4+
+        log_k 5.43
         delta_h 5.76 kcal
-        -gamma  5.5     0.0   
+        -gamma 5.5 0
 
 #FeHSO4+             148
         Fe+2 + HSO4- = FeHSO4+
-        log_k           1.08
+        log_k 1.08
 
 #O2calc              151
-#       0.5H2O = 0.25O2(aq) + H+ + e- 
+#       0.5H2O = 0.25O2(aq) + H+ + e-
 #       log_k           -20.780
 #       delta_h 33.457 kcal
 
 #OH-                 152
-        H2O = OH- +  H+
-        log_k           -14.0
+        H2O = OH- + H+
+        log_k -14
         delta_h 13.362 kcal
-        -analytical     -283.971        -0.05069842     13323.0         102.24447       -1119669.0
-        -gamma  3.5     0.0 
+        -analytical -283.971 -0.05069842 13323 102.24447 -1119669
+        -gamma 3.5 0
 
 #FeH2PO4+2           156
         Fe+3 + H2PO4- = FeH2PO4+2
-        log_k           5.43
-        -gamma  5.4     0.0
+        log_k 5.43
+        -gamma 5.4 0
 
 #FeHSO4+2            159
-        Fe+3 + HSO4- = FeHSO4+2 
-        log_k           2.48
+        Fe+3 + HSO4- = FeHSO4+2
+        log_k 2.48
 
 #CaF+                160
-        Ca+2 + F- = CaF+ 
-        log_k           0.94
+        Ca+2 + F- = CaF+
+        log_k 0.94
         delta_h 4.12 kcal
-        -gamma  5.5     0.0
+        -gamma 5.5 0
 
 #BF(OH)3-            161
         H3BO3 + F- = BF(OH)3-
-        log_k           -0.4
+        log_k -0.4
         delta_h 1.85 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF2(OH)2-           162
-        H3BO3 + H+ + 2F- = BF2(OH)2- + H2O 
-        log_k           7.63
+        H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O
+        log_k 7.63
         delta_h 1.618 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF3OH-              163
-        H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O 
-        log_k           13.67
+        H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
+        log_k 13.67
         delta_h -1.614 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF4-                164
-        H3BO3 + 3H+ + 4F- = BF4- + 3H2O 
-        log_k           20.28
+        H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+        log_k 20.28
         delta_h -1.846 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #FeF+2               165
-        Fe+3 + F- = FeF+2 
-        log_k           6.2
+        Fe+3 + F- = FeF+2
+        log_k 6.2
         delta_h 2.7 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #FeF2+               166
-        Fe+3 + 2F- = FeF2+
-        log_k           10.8
+        Fe+3 + 2 F- = FeF2+
+        log_k 10.8
         delta_h 4.8 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #FeF3                167
-        Fe+3 + 3F- = FeF3
-        log_k           14.0
+        Fe+3 + 3 F- = FeF3
+        log_k 14
         delta_h 5.4 kcal
 
 #CaHSO4+             168
-        Ca+2 + HSO4- = CaHSO4+ 
-        log_k           1.08
+        Ca+2 + HSO4- = CaHSO4+
+        log_k 1.08
 
 #Mn+3 secondary master species   169
-        Mn+2 = Mn+3 + e- 
-        log_k           -25.51
+        Mn+2 = Mn+3 + e-
+        log_k -25.51
         delta_h 25.8 kcal
-        -gamma  9.0     0.0
+        -gamma 9 0
 
 #MnCl+               170
-        Mn+2 + Cl- = MnCl+ 
-        log_k           0.61
-        -gamma  5.0     0.0
+        Mn+2 + Cl- = MnCl+
+        log_k 0.61
+        -gamma 5 0
 
 #MnCl2               171
-        Mn+2 + 2Cl- = MnCl2
-        log_k           0.25
+        Mn+2 + 2 Cl- = MnCl2
+        log_k 0.25
 
 #MnCl3-              172
-        Mn+2 + 3Cl- = MnCl3-
-        log_k           -0.31
-        -gamma  5.0     0.0
+        Mn+2 + 3 Cl- = MnCl3-
+        log_k -0.31
+        -gamma 5 0
 
 #MnOH+               173
-        Mn+2 + H2O = MnOH+ + H+ 
-        log_k           -10.59
+        Mn+2 + H2O = MnOH+ + H+
+        log_k -10.59
         delta_h 14.4 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #Mn(OH)3-            174
-        Mn+2 + 3H2O = Mn(OH)3- + 3H+ 
-        log_k           -34.8
-        -gamma  5.0     0.0
+        Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+        log_k -34.8
+        -gamma 5 0
 
 #MnF+                175
-        Mn+2 + F- = MnF+ 
-        log_k           0.84
-        -gamma  5.0     0.0
+        Mn+2 + F- = MnF+
+        log_k 0.84
+        -gamma 5 0
 
 #MnSO4               176
-        Mn+2 + SO4-2 = MnSO4 
-        log_k           2.25
+        Mn+2 + SO4-2 = MnSO4
+        log_k 2.25
         delta_h 3.37 kcal
 
 #Mn(NO3)2            177
-        Mn+2 + 2NO3- = Mn(NO3)2 
-        log_k           0.6
+        Mn+2 + 2 NO3- = Mn(NO3)2
+        log_k 0.6
         delta_h -0.396 kcal
 
 #MnHCO3+             178
         Mn+2 + HCO3- = MnHCO3+
-        log_k           1.95
-        -gamma  5.0     0.0
+        log_k 1.95
+        -gamma 5 0
 
 #MnO4- secondary master species   179
-        Mn+2 + 4H2O = MnO4- + 8H+ + 5e- 
-        log_k           -127.824
+        Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+        log_k -127.824
         delta_h 176.62 kcal
-        -gamma  3.0     0.0
+        -gamma 3 0
 
 #MnO4-2 secondary master species   180
-        Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- 
-        log_k           -118.44
+        Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+        log_k -118.44
         delta_h 150.02 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #SiF6-2              201
-        H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O 
-        log_k           30.18
+        H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+        log_k 30.18
         delta_h -16.26 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #HF                  202
-        H+ + F- = HF 
-        log_k           3.18
+        H+ + F- = HF
+        log_k 3.18
         delta_h 3.18 kcal
-        -analytical     -2.033          0.012645        429.01          0.0     0.0
+        -analytical -2.033 0.012645 429.01 0 0
 
 #HF2-                203
-        H+ + 2F- = HF2- 
-        log_k           3.76
+        H+ + 2 F- = HF2-
+        log_k 3.76
         delta_h 4.55 kcal
-        -gamma  3.5     0.0
+        -gamma 3.5 0
 
 #CuCl2-              206
 #       Cu+2 + 2Cl- + e- = CuCl2-
 #       log_k           8.220
 #       delta_h 1.230 kcal
-        Cu+ + 2Cl- = CuCl2-
-        log_k           5.50
+        Cu+ + 2 Cl- = CuCl2-
+        log_k 5.5
         delta_h -0.42 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl3-2             207
-#       Cu+2 + 3Cl- + e- = CuCl3-2 
+#       Cu+2 + 3Cl- + e- = CuCl3-2
 #       log_k           8.420
 #       delta_h 1.910 kcal
-        Cu+ + 3Cl- = CuCl3-2
-        log_k           5.70
+        Cu+ + 3 Cl- = CuCl3-2
+        log_k 5.7
         delta_h 0.26 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #Cu+ secondary master species  208
-        Cu+2 + e- = Cu+ 
-        log_k           2.72
+        Cu+2 + e- = Cu+
+        log_k 2.72
         delta_h 1.65 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #CuCO3               209
-        Cu+2 + CO3-2 = CuCO3 
-        log_k           6.73
+        Cu+2 + CO3-2 = CuCO3
+        log_k 6.73
 
 #Cu(CO3)2-2          210
-        Cu+2 + 2CO3-2 = Cu(CO3)2-2 
-        log_k           9.83
+        Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+        log_k 9.83
 
 #CuCl+               211
-        Cu+2 + Cl- = CuCl+ 
-        log_k           0.43
+        Cu+2 + Cl- = CuCl+
+        log_k 0.43
         delta_h 8.65 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl2               212
-        Cu+2 + 2Cl- = CuCl2 
-        log_k           0.16
+        Cu+2 + 2 Cl- = CuCl2
+        log_k 0.16
         delta_h 10.56 kcal
 
 #CuCl3-              213
-        Cu+2 + 3Cl- = CuCl3-
-        log_k           -2.29
+        Cu+2 + 3 Cl- = CuCl3-
+        log_k -2.29
         delta_h 13.69 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl4-2             214
-        Cu+2 + 4Cl- = CuCl4-2
-        log_k           -4.59
+        Cu+2 + 4 Cl- = CuCl4-2
+        log_k -4.59
         delta_h 17.78 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #CuF+                215
-        Cu+2 + F- = CuF+ 
-        log_k           1.26
+        Cu+2 + F- = CuF+
+        log_k 1.26
         delta_h 1.62 kcal
 
 #CuOH+               216
-        Cu+2 + H2O = CuOH+ + H+ 
-        log_k           -8.0
-        -gamma  4.0     0.0
+        Cu+2 + H2O = CuOH+ + H+
+        log_k -8
+        -gamma 4 0
 
 #Cu(OH)2             217
-        Cu+2 + 2H2O = Cu(OH)2 + 2H+ 
-        log_k           -13.68
+        Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+        log_k -13.68
 
 #Cu(OH)3-            218
-        Cu+2 + 3H2O = Cu(OH)3- + 3H+ 
-        log_k           -26.9
+        Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+        log_k -26.9
 
 #Cu(OH)4-2           219
-        Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ 
-        log_k           -39.6
+        Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+        log_k -39.6
 
 #Cu2(OH)2+2          220
-        2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ 
-        log_k           -10.359
+        2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+        log_k -10.359
         delta_h 17.539 kcal
-        -analytical     2.497   0.0     -3833.0         0.0     0.0
+        -analytical 2.497 0 -3833 0 0
 
 #CuSO4               221
-        Cu+2 + SO4-2 = CuSO4 
-        log_k           2.31
+        Cu+2 + SO4-2 = CuSO4
+        log_k 2.31
         delta_h 1.22 kcal
 
 #Cu(HS)3-            222
-        Cu+2 + 3HS- = Cu(HS)3-
-        log_k           25.9
+        Cu+2 + 3 HS- = Cu(HS)3-
+        log_k 25.9
 
 #ZnCl+               251
-        Zn+2 + Cl- = ZnCl+ 
-        log_k           0.43
+        Zn+2 + Cl- = ZnCl+
+        log_k 0.43
         delta_h 7.79 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #ZnCl2               252
-        Zn+2 + 2Cl- = ZnCl2
-        log_k           0.45
+        Zn+2 + 2 Cl- = ZnCl2
+        log_k 0.45
         delta_h 8.5 kcal
 
 #ZnCl3-              253
-        Zn+2 + 3Cl- = ZnCl3-
-        log_k           0.5
+        Zn+2 + 3 Cl- = ZnCl3-
+        log_k 0.5
         delta_h 9.56 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #ZnCl4-2             254
-        Zn+2 + 4Cl- = ZnCl4-2
-        log_k           0.2
+        Zn+2 + 4 Cl- = ZnCl4-2
+        log_k 0.2
         delta_h 10.96 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #ZnF+                255
-        Zn+2 + F- = ZnF+ 
-        log_k           1.15
+        Zn+2 + F- = ZnF+
+        log_k 1.15
         delta_h 2.22 kcal
 
 #ZnOH+               256
-        Zn+2 + H2O = ZnOH+ + H+ 
-        log_k           -8.96
+        Zn+2 + H2O = ZnOH+ + H+
+        log_k -8.96
         delta_h 13.4 kcal
 
 #Zn(OH)2             257
-        Zn+2 + 2H2O = Zn(OH)2 + 2H+ 
-        log_k           -16.9
+        Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+        log_k -16.9
 
 #Zn(OH)3-            258
-        Zn+2 + 3H2O = Zn(OH)3- + 3H+ 
-        log_k           -28.4
+        Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+        log_k -28.4
 
 #Zn(OH)4-2           259
-        Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ 
-        log_k           -41.2
+        Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+        log_k -41.2
 
 #ZnOHCl              260
-        Zn+2 + H2O + Cl- = ZnOHCl + H+ 
-        log_k           -7.48
+        Zn+2 + H2O + Cl- = ZnOHCl + H+
+        log_k -7.48
 
 #Zn(HS)2             261
-        Zn+2 + 2HS- = Zn(HS)2
-        log_k           14.94
+        Zn+2 + 2 HS- = Zn(HS)2
+        log_k 14.94
 
 #Zn(HS)3-            262
-        Zn+2 + 3HS- = Zn(HS)3-
-        log_k           16.1
+        Zn+2 + 3 HS- = Zn(HS)3-
+        log_k 16.1
 
 #ZnSO4               263
-        Zn+2 + SO4-2 = ZnSO4 
-        log_k           2.37
+        Zn+2 + SO4-2 = ZnSO4
+        log_k 2.37
         delta_h 1.36 kcal
 
 #Zn(SO4)2-2          264
-        Zn+2 + 2SO4-2 = Zn(SO4)2-2 
-        log_k           3.28
+        Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+        log_k 3.28
 
 #CdCl+               294
-        Cd+2 + Cl- = CdCl+ 
-        log_k           1.98
+        Cd+2 + Cl- = CdCl+
+        log_k 1.98
         delta_h 0.59 kcal
 
 #CdCl2               295
-        Cd+2 + 2Cl- = CdCl2
-        log_k           2.6
+        Cd+2 + 2 Cl- = CdCl2
+        log_k 2.6
         delta_h 1.24 kcal
 
 #CdCl3-              296
-        Cd+2 + 3Cl- = CdCl3-
-        log_k           2.4
+        Cd+2 + 3 Cl- = CdCl3-
+        log_k 2.4
         delta_h 3.9 kcal
 
 #CdF+                297
-        Cd+2 + F- = CdF+ 
-        log_k           1.1
+        Cd+2 + F- = CdF+
+        log_k 1.1
 
 #CdF2                298
-        Cd+2 + 2F- = CdF2
-        log_k           1.5
+        Cd+2 + 2 F- = CdF2
+        log_k 1.5
 
 #Cd(CO3)2-2          299
-        Cd+2 + 2CO3-2 = Cd(CO3)2-2
-        log_k           6.4
+        Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+        log_k 6.4
 
 #CdOH+               300
-        Cd+2 + H2O = CdOH+ + H+ 
-        log_k           -10.08
+        Cd+2 + H2O = CdOH+ + H+
+        log_k -10.08
         delta_h 13.1 kcal
 
 #Cd(OH)2             301
-        Cd+2 + 2H2O = Cd(OH)2 + 2H+ 
-        log_k           -20.35
+        Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+        log_k -20.35
 
 #Cd(OH)3-            302
-        Cd+2 + 3H2O = Cd(OH)3- + 3H+ 
-        log_k           -33.3
+        Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+        log_k -33.3
 
 #Cd(OH)4-2           303
-        Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ 
-        log_k           -47.35
+        Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+        log_k -47.35
 
 #Cd2OH+3             304
-        2Cd+2 + H2O = Cd2OH+3 + H+ 
-        log_k           -9.39
+        2 Cd+2 + H2O = Cd2OH+3 + H+
+        log_k -9.39
         delta_h 10.9 kcal
 
 #CdOHCl              305
-        Cd+2 + H2O + Cl- = CdOHCl + H+ 
-        log_k           -7.404
+        Cd+2 + H2O + Cl- = CdOHCl + H+
+        log_k -7.404
         delta_h 4.355 kcal
 
 #CdNO3+              306
         Cd+2 + NO3- = CdNO3+
-        log_k           0.4
+        log_k 0.4
         delta_h -5.2 kcal
 
 #CdSO4               307
-        Cd+2 + SO4-2 = CdSO4 
-        log_k           2.46
+        Cd+2 + SO4-2 = CdSO4
+        log_k 2.46
         delta_h 1.08 kcal
 
 #CdHS+               308
-        Cd+2 + HS- = CdHS+ 
-        log_k           10.17
+        Cd+2 + HS- = CdHS+
+        log_k 10.17
 
 #Cd(HS)2             309
-        Cd+2 + 2HS- = Cd(HS)2 
-        log_k           16.53
+        Cd+2 + 2 HS- = Cd(HS)2
+        log_k 16.53
 
 #Cd(HS)3-            310
-        Cd+2 + 3HS- = Cd(HS)3-
-        log_k           18.71
+        Cd+2 + 3 HS- = Cd(HS)3-
+        log_k 18.71
 
 #Cd(HS)4-2           311
-        Cd+2 + 4HS- = Cd(HS)4-2
-        log_k           20.9
+        Cd+2 + 4 HS- = Cd(HS)4-2
+        log_k 20.9
 
 #Fe(SO4)2-           333
-        Fe+3 + 2SO4-2 = Fe(SO4)2- 
-        log_k           5.38
+        Fe+3 + 2 SO4-2 = Fe(SO4)2-
+        log_k 5.38
         delta_h 4.6 kcal
 
 #Fe2(OH)2+4          334
-        2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ 
-        log_k           -2.95
+        2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+        log_k -2.95
         delta_h 13.5 kcal
 
 #Fe3(OH)4+5          335
-        3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ 
-        log_k           -6.3
+        3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+        log_k -6.3
         delta_h 14.3 kcal
 
 #PbCl+               341
-        Pb+2 + Cl- = PbCl+ 
-        log_k           1.6
+        Pb+2 + Cl- = PbCl+
+        log_k 1.6
         delta_h 4.38 kcal
 
 #PbCl2               342
-        Pb+2 + 2Cl- = PbCl2
-        log_k           1.8
+        Pb+2 + 2 Cl- = PbCl2
+        log_k 1.8
         delta_h 1.08 kcal
 
 #PbCl3-              343
-        Pb+2 + 3Cl- = PbCl3-
-        log_k           1.7
+        Pb+2 + 3 Cl- = PbCl3-
+        log_k 1.7
         delta_h 2.17 kcal
 
 #PbCl4-2             344
-        Pb+2 + 4Cl- = PbCl4-2
-        log_k           1.38
+        Pb+2 + 4 Cl- = PbCl4-2
+        log_k 1.38
         delta_h 3.53 kcal
 
 #Pb(CO3)2-2          345
-        Pb+2 + 2CO3-2 = Pb(CO3)2-2 
-        log_k           10.64
+        Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+        log_k 10.64
 
 #PbF+                346
-        Pb+2 + F- = PbF+ 
-        log_k           1.25
+        Pb+2 + F- = PbF+
+        log_k 1.25
 
 #PbF2                347
-        Pb+2 + 2F- = PbF2
-        log_k           2.56
+        Pb+2 + 2 F- = PbF2
+        log_k 2.56
 
 #PbF3-               348
-        Pb+2 + 3F- = PbF3-
-        log_k           3.42
+        Pb+2 + 3 F- = PbF3-
+        log_k 3.42
 
 #PbF4-2              349
-        Pb+2 + 4F- = PbF4-2
-        log_k           3.1
+        Pb+2 + 4 F- = PbF4-2
+        log_k 3.1
 
 #PbOH+               350
-        Pb+2 + H2O = PbOH+ + H+ 
-        log_k           -7.71
+        Pb+2 + H2O = PbOH+ + H+
+        log_k -7.71
 
 #Pb(OH)2             351
-        Pb+2 + 2H2O = Pb(OH)2 + 2H+ 
-        log_k           -17.12
+        Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+        log_k -17.12
 
 #Pb(OH)3-            352
-        Pb+2 + 3H2O = Pb(OH)3- + 3H+ 
-        log_k           -28.06
+        Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+        log_k -28.06
 
 #Pb2OH+3             353
-        2Pb+2 + H2O = Pb2OH+3 + H+ 
-        log_k           -6.36
+        2 Pb+2 + H2O = Pb2OH+3 + H+
+        log_k -6.36
 
 #PbNO3+              354
         Pb+2 + NO3- = PbNO3+
-        log_k           1.17
+        log_k 1.17
 
 #PbSO4               355
-        Pb+2 + SO4-2 = PbSO4 
-        log_k           2.75
+        Pb+2 + SO4-2 = PbSO4
+        log_k 2.75
 
 #Pb(HS)2             356
-        Pb+2 + 2HS- = Pb(HS)2 
-        log_k           15.27
+        Pb+2 + 2 HS- = Pb(HS)2
+        log_k 15.27
 
 #Pb(HS)3-            357
-        Pb+2 + 3HS- = Pb(HS)3-
-        log_k           16.57
+        Pb+2 + 3 HS- = Pb(HS)3-
+        log_k 16.57
 
 #Pb3(OH)4+2          358
-        3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ 
-        log_k           -23.88
+        3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+        log_k -23.88
         delta_h 26.5 kcal
 
 #FeF+                359
-        Fe+2 + F- = FeF+ 
-        log_k           1.0
+        Fe+2 + F- = FeF+
+        log_k 1
 
 #AlHSO4+2            397
-        Al+3 + HSO4- = AlHSO4+2 
-        log_k           0.46
+        Al+3 + HSO4- = AlHSO4+2
+        log_k 0.46
 
 #NO2 secondary master species   400
-        NO3- + 2H+ + 2e- = NO2- + H2O 
-        log_k           28.57
+        NO3- + 2 H+ + 2 e- = NO2- + H2O
+        log_k 28.57
         delta_h -43.76 kcal
 
 #NiBr+               403
-        Ni+2 + Br- = NiBr+ 
-        log_k           0.5
+        Ni+2 + Br- = NiBr+
+        log_k 0.5
 
 #NiCl+               404
-        Ni+2 + Cl- = NiCl+ 
-        log_k           0.4
+        Ni+2 + Cl- = NiCl+
+        log_k 0.4
 
 #NiF+                405
-        Ni+2 + F- = NiF+ 
-        log_k           1.3
+        Ni+2 + F- = NiF+
+        log_k 1.3
 
 #NiOH+               406
-        Ni+2 + H2O = NiOH+ + H+ 
-        log_k           -9.86
+        Ni+2 + H2O = NiOH+ + H+
+        log_k -9.86
         delta_h 12.42 kcal
 
 #Ni(OH)2             407
-        Ni+2 + 2H2O = Ni(OH)2 + 2H+ 
-        log_k           -19.0
+        Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
+        log_k -19
 
 #Ni(OH)3-            408
-        Ni+2 + 3H2O = Ni(OH)3- + 3H+ 
-        log_k           -30.0
+        Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
+        log_k -30
 
 #NiSO4               409
-        Ni+2 + SO4-2 = NiSO4 
-        log_k           2.29
+        Ni+2 + SO4-2 = NiSO4
+        log_k 2.29
         delta_h 1.52 kcal
 
 #AgBr                421
         Ag+ + Br- = AgBr
-        log_k           4.24
+        log_k 4.24
 
 #AgBr2-              422
-        Ag+ + 2Br- = AgBr2- 
-        log_k           7.28
+        Ag+ + 2 Br- = AgBr2-
+        log_k 7.28
 
 #AgCl                423
         Ag+ + Cl- = AgCl
-        log_k           3.27
+        log_k 3.27
         delta_h -2.68 kcal
 
 #AgCl2-              424
-        Ag+ + 2Cl- = AgCl2- 
-        log_k           5.27
+        Ag+ + 2 Cl- = AgCl2-
+        log_k 5.27
         delta_h -3.93 kcal
 
 #AgCl3-2             425
-        Ag+ + 3Cl- = AgCl3-2
-        log_k           5.29
+        Ag+ + 3 Cl- = AgCl3-2
+        log_k 5.29
 
 #AgCl4-3             426
-        Ag+ + 4Cl- = AgCl4-3
-        log_k           5.51
+        Ag+ + 4 Cl- = AgCl4-3
+        log_k 5.51
 
 #AgF                 427
         Ag+ + F- = AgF
-        log_k           0.36
+        log_k 0.36
         delta_h -2.83 kcal
 
 #AgHS                428
-        Ag+ + HS- = AgHS 
-        log_k           14.05
+        Ag+ + HS- = AgHS
+        log_k 14.05
 
 #Ag(HS)2-            429
-        Ag+ + 2HS- = Ag(HS)2-
-        log_k           18.45
+        Ag+ + 2 HS- = Ag(HS)2-
+        log_k 18.45
 
 #AgI                 430
         Ag+ + I- = AgI
-        log_k           6.6
+        log_k 6.6
 
 #AgI2-               431
-        Ag+ + 2I- = AgI2- 
-        log_k           10.68
+        Ag+ + 2 I- = AgI2-
+        log_k 10.68
 
 #AgOH                432
-        Ag+ + H2O = AgOH + H+ 
-        log_k           -12.0
+        Ag+ + H2O = AgOH + H+
+        log_k -12
 
 #Ag(OH)2-            433
-        Ag+ + 2H2O = Ag(OH)2- + 2H+ 
-        log_k           -24.0
+        Ag+ + 2 H2O = Ag(OH)2- + 2 H+
+        log_k -24
 
 #AgSO4-              434
         Ag+ + SO4-2 = AgSO4-
-        log_k           1.29
+        log_k 1.29
         delta_h 1.49 kcal
 
 #AgNO3               435
         Ag+ + NO3- = AgNO3
-        log_k           -0.29
+        log_k -0.29
 
 #Ag(NO2)2-           436
-        Ag+ + 2NO2- = Ag(NO2)2-
-        log_k           2.22
+        Ag+ + 2 NO2- = Ag(NO2)2-
+        log_k 2.22
 
 #ZnBr+               447
-        Zn+2 + Br- = ZnBr+ 
-        log_k           -0.58
+        Zn+2 + Br- = ZnBr+
+        log_k -0.58
 
 #ZnBr2               448
-        Zn+2 + 2Br- = ZnBr2
-        log_k           -0.98
+        Zn+2 + 2 Br- = ZnBr2
+        log_k -0.98
 
 #ZnI+                449
-        Zn+2 + I- = ZnI+ 
-        log_k           -2.91
+        Zn+2 + I- = ZnI+
+        log_k -2.91
 
 #ZnI2                450
-        Zn+2 + 2I- = ZnI2
-        log_k           -1.69
+        Zn+2 + 2 I- = ZnI2
+        log_k -1.69
 
 #CdBr+               451
-        Cd+2 + Br- = CdBr+ 
-        log_k           2.17
+        Cd+2 + Br- = CdBr+
+        log_k 2.17
         delta_h -0.81 kcal
 
 #CdBr2               452
-        Cd+2 + 2Br- = CdBr2
-        log_k           2.9
+        Cd+2 + 2 Br- = CdBr2
+        log_k 2.9
 
 #CdI+                453
-        Cd+2 + I- = CdI+ 
-        log_k           2.15
+        Cd+2 + I- = CdI+
+        log_k 2.15
         delta_h -2.37 kcal
 
 #CdI2                454
-        Cd+2 + 2I- = CdI2
-        log_k           3.59
+        Cd+2 + 2 I- = CdI2
+        log_k 3.59
 
 #PbBr+               455
-        Pb+2 + Br- = PbBr+ 
-        log_k           1.77
+        Pb+2 + Br- = PbBr+
+        log_k 1.77
         delta_h 2.88 kcal
 
 #PbBr2               456
-        Pb+2 + 2Br- = PbBr2 
-        log_k           1.44
+        Pb+2 + 2 Br- = PbBr2
+        log_k 1.44
 
 #PbI+                457
-        Pb+2 + I- = PbI+ 
-        log_k           1.94
+        Pb+2 + I- = PbI+
+        log_k 1.94
 
 #PbI2                458
-        Pb+2 + 2I- = PbI2
-        log_k           3.2
+        Pb+2 + 2 I- = PbI2
+        log_k 3.2
 
 #PbCO3               468
-        Pb+2 + CO3-2 = PbCO3 
-        log_k           7.24
+        Pb+2 + CO3-2 = PbCO3
+        log_k 7.24
 
 #Pb(OH)4-2           469
-        Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ 
-        log_k           -39.7
+        Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+        log_k -39.7
 
 #Pb(SO4)2-2          470
-        Pb+2 + 2SO4-2 = Pb(SO4)2-2 
-        log_k           3.47
+        Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+        log_k 3.47
 
 #AgBr3-2             473
-        Ag+ + 3Br- = AgBr3-2
-        log_k           8.71
+        Ag+ + 3 Br- = AgBr3-2
+        log_k 8.71
 
 #AgI3-2              474
-        Ag+ + 3I- = AgI3-2
-        log_k           13.37
+        Ag+ + 3 I- = AgI3-2
+        log_k 13.37
         delta_h -27.03 kcal
 
 #AgI4-3              475
-        Ag+ + 4I- = AgI4-3
-        log_k           14.08
+        Ag+ + 4 I- = AgI4-3
+        log_k 14.08
 
 #Fe(HS)2             476
-        Fe+2 + 2HS- = Fe(HS)2
-        log_k           8.95
+        Fe+2 + 2 HS- = Fe(HS)2
+        log_k 8.95
 
 #Fe(HS)3-            477
-        Fe+2 + 3HS- = Fe(HS)3-
-        log_k           10.987
+        Fe+2 + 3 HS- = Fe(HS)3-
+        log_k 10.987
 
 #H2AsO3- 		478	
 	H3AsO3 = H2AsO3- + H+
-	log_k	-9.15
-	delta_h	27.54	kJ
+	log_k -9.15
+	delta_h 27.54 kJ
 
 #HAsO3-2 		479	
-	H3AsO3 = HAsO3-2 + 2H+
-	log_k	-23.85
-	delta_h	59.41	kJ
+	H3AsO3 = HAsO3-2 + 2 H+
+	log_k -23.85
+	delta_h 59.41 kJ
 
 #AsO3-3 		480	
-	H3AsO3 = AsO3-3 + 3H+
-	log_k	-39.55
-	delta_h	84.73	kJ
+	H3AsO3 = AsO3-3 + 3 H+
+	log_k -39.55
+	delta_h 84.73 kJ
 
 #H4AsO3+             481
-        H3AsO3 + H+ = H4AsO3+ 
-        log_k           -0.305
+        H3AsO3 + H+ = H4AsO3+
+        log_k -0.305
 
 #H2AsO4- 		482	
 	H3AsO4 = H2AsO4- + H+
-	log_k	-2.3
-	delta_h	-7.066	kJ
+	log_k -2.3
+	delta_h -7.066 kJ
 
 #HAsO4-2 		483	
-	H3AsO4 = HAsO4-2 + 2H+
-	log_k	-9.46
-	delta_h	-3.846	kJ
+	H3AsO4 = HAsO4-2 + 2 H+
+	log_k -9.46
+	delta_h -3.846 kJ
 
 #AsO43- 		484	
-	H3AsO4 = AsO4-3 + 3H+
-	log_k	-21.11
-	delta_h	14.354	kJ
+	H3AsO4 = AsO4-3 + 3 H+
+	log_k -21.11
+	delta_h 14.354 kJ
 
 #As3  secondary master species   487
 	H3AsO4 + H2 = H3AsO3 + H2O
-	log_k	22.5
-	delta_h	-117.480344	kJ
+	log_k 22.5
+	delta_h -117.480344 kJ
 
 #As3S4(HS)-2 		631	
-	3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O
-	log_k	72.314
-        -gamma  5.0     0.0
+	3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O
+	log_k 72.314
+        -gamma 5 0
 
 #AsS(OH)(HS)- 		637	
-	H3AsO3 + 2HS-  + H+ = AsS(OH)(HS)- + 2H2O
-	log_k	18.038
-        -gamma  5.0     0.0
+	H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O
+	log_k 18.038
+        -gamma 5 0
 
 #
-#  TURNING OFF CHECKING FOR EQUATION BALANCE FOR 
+#  TURNING OFF CHECKING FOR EQUATION BALANCE FOR
 #  POLYSULFIDES
 #
 
@@ -1406,73 +1410,73 @@ SOLUTION_SPECIES
 #       Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S
 #       log_k           5.382
 #       -no_check
-#       -mass_balance CuS(-2)9  
+#       -mass_balance CuS(-2)9
 #       -gamma  25.0    0.0
 
 #As3/As5             487
-#       H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- 
+#       H3AsO3 + H2O = H3AsO4 + 2H+ + 2e-
 #       log_k           -18.897
 #       delta_h 30.015 kcal
 
 #S2-2                502
-        HS- = S2-2 + H+                 # (lhs) +S
-        log_k           -14.528
+        HS- = S2-2 + H+ # (lhs) +S
+        log_k -14.528
         delta_h 11.4 kcal
         -no_check
-        -mass_balance   S(-2)2
-        -gamma  6.5     0.0
+        -mass_balance S(-2)2
+        -gamma 6.5 0
 
 #S3-2                503
-        HS- = S3-2 + H+                 # (lhs) +2S
-        log_k           -13.282
+        HS- = S3-2 + H+ # (lhs) +2S
+        log_k -13.282
         delta_h 10.4 kcal
         -no_check
-        -mass_balance   S(-2)3
-        -gamma  8.0     0.0
+        -mass_balance S(-2)3
+        -gamma 8 0
 
 #S4-2                504
-        HS- = S4-2 + H+                 # (lhs) +3S
-        log_k           -9.829
+        HS- = S4-2 + H+ # (lhs) +3S
+        log_k -9.829
         delta_h 9.7 kcal
         -no_check
-        -mass_balance   S(-2)4
-        -gamma  10.0    0.0
+        -mass_balance S(-2)4
+        -gamma 10 0
 
 #S5-2                505
-        HS- = S5-2 + H+                 # (lhs) +4S
-        log_k           -9.595
+        HS- = S5-2 + H+ # (lhs) +4S
+        log_k -9.595
         delta_h 9.3 kcal
         -no_check
-        -mass_balance   S(-2)5
-        -gamma  12.0    0.0
+        -mass_balance S(-2)5
+        -gamma 12 0
 
 #S6-2                506
-        HS- = S6-2 + H+                 # (lhs) +5S
-        log_k           -9.881
+        HS- = S6-2 + H+ # (lhs) +5S
+        log_k -9.881
         -no_check
-        -mass_balance   S(-2)6
-        -gamma  14.0    0.0
+        -mass_balance S(-2)6
+        -gamma 14 0
 
 #Ag(S4)2-3           507
-        Ag+ + 2HS- = Ag(S4)2-3 + 2H+    # (lhs) +6S
-        log_k           0.991
+        Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S
+        log_k 0.991
         -no_check
-        -mass_balance   AgS(-2)8
-        -gamma  22.0    0.0
+        -mass_balance AgS(-2)8
+        -gamma 22 0
 
 #Ag(S4)S5-3          508
-        Ag+ + 2HS- = Ag(S4)S5-3 + 2H+   # (lhs) +7S
-        log_k           0.68
+        Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S
+        log_k 0.68
         -no_check
-        -mass_balance   AgS(-2)9
-        -gamma  24.0    0.0
+        -mass_balance AgS(-2)9
+        -gamma 24 0
 
 #AgHS(S4)-2          509                # (lhs) +3S
-        Ag+ + 2HS- = AgHS(S4)-2 + H+
-        log_k           10.43
+        Ag+ + 2 HS- = AgHS(S4)-2 + H+
+        log_k 10.43
         -no_check
-        -mass_balance   AgHS(-2)5
-        -gamma  15.0    0.0
+        -mass_balance AgHS(-2)5
+        -gamma 15 0
 
 #
 #       END OF POLYSULFIDES
@@ -1480,99 +1484,99 @@ SOLUTION_SPECIES
 
 #CuHCO3+             510
         Cu+2 + HCO3- = CuHCO3+
-        log_k           2.7
+        log_k 2.7
 
 #ZnHCO3+             511
         Zn+2 + HCO3- = ZnHCO3+
-        log_k           2.1
+        log_k 2.1
 
 #ZnCO3               512
-        Zn+2 + CO3-2 = ZnCO3 
-        log_k           5.3
+        Zn+2 + CO3-2 = ZnCO3
+        log_k 5.3
 
 #Zn(CO3)2-2          513
-        Zn+2 + 2CO3-2 = Zn(CO3)2-2 
-        log_k           9.63
+        Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+        log_k 9.63
 
 #CdHCO3              514
         Cd+2 + HCO3- = CdHCO3+
-        log_k           1.5
+        log_k 1.5
 
 #CdCO3               515
-        Cd+2 + CO3-2 = CdCO3 
-        log_k           2.9
+        Cd+2 + CO3-2 = CdCO3
+        log_k 2.9
 
 #Cd(SO4)2-2          516
-        Cd+2 + 2SO4-2 = Cd(SO4)2-2 
-        log_k           3.5
+        Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+        log_k 3.5
 
 #PbHCO3+             517
         Pb+2 + HCO3- = PbHCO3+
-        log_k           2.9
+        log_k 2.9
 
 #NiCl2               518
-        Ni+2 + 2Cl- = NiCl2
-        log_k           0.96
+        Ni+2 + 2 Cl- = NiCl2
+        log_k 0.96
 
 #NiHCO3+             519
         Ni+2 + HCO3- = NiHCO3+
-        log_k           2.14
+        log_k 2.14
 
 #NiCO3               520
-        Ni+2 + CO3-2 = NiCO3 
-        log_k           6.87
+        Ni+2 + CO3-2 = NiCO3
+        log_k 6.87
 
 #Ni(CO3)2-2          521
-        Ni+2 + 2CO3-2 = Ni(CO3)2-2 
-        log_k           10.11
+        Ni+2 + 2 CO3-2 = Ni(CO3)2-2
+        log_k 10.11
 
 #Ni(SO4)2-2          522
-        Ni+2 + 2SO4-2 = Ni(SO4)2-2 
-        log_k           1.02
+        Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+        log_k 1.02
 
 #HFulvate            523
-        H+ + Fulvate-2 = HFulvate- 
-        log_k           4.27
+        H+ + Fulvate-2 = HFulvate-
+        log_k 4.27
 
 #HHumate             524
-        H+ + Humate-2 = HHumate- 
-        log_k           4.27
+        H+ + Humate-2 = HHumate-
+        log_k 4.27
 
 #FeFulvate           525
-        Fe+3 + Fulvate-2 = FeFulvate+ 
-        log_k           9.4
+        Fe+3 + Fulvate-2 = FeFulvate+
+        log_k 9.4
 
 #FeHumate            526
-        Fe+3 + Humate-2 = FeHumate+ 
-        log_k           9.4
+        Fe+3 + Humate-2 = FeHumate+
+        log_k 9.4
 
 #CuFulvate           527
         Cu+2 + Fulvate-2 = CuFulvate
-        log_k           6.2
+        log_k 6.2
 
 #CuHumate            528
         Cu+2 + Humate-2 = CuHumate
-        log_k           6.2
+        log_k 6.2
 
 #CdFulvate           529
         Cd+2 + Fulvate-2 = CdFulvate
-        log_k           3.5
+        log_k 3.5
 
 #CdHumate            530
         Cd+2 + Humate-2 = CdHumate
-        log_k           3.5
+        log_k 3.5
 
 #AgFulvate           531
-        Ag+ + Fulvate-2 = AgFulvate- 
-        log_k           2.4
+        Ag+ + Fulvate-2 = AgFulvate-
+        log_k 2.4
 
 #AgHumate            532
-        Ag+ + Humate-2 = AgHumate- 
-        log_k           2.4
+        Ag+ + Humate-2 = AgHumate-
+        log_k 2.4
 
 #H2F2                537
-        2H+ + 2F- = H2F2
-        log_k           6.768
+        2 H+ + 2 F- = H2F2
+        log_k 6.768
 
 #peS/H2S             538
 #       S + 2H+ + 2e- = H2S
@@ -1580,1969 +1584,1969 @@ SOLUTION_SPECIES
 
 #NaF                 540
         Na+ + F- = NaF
-        log_k           -0.24
+        log_k -0.24
 
 #FeCl+               542
-        Fe+2 + Cl- = FeCl+ 
-        log_k           0.14
-        -gamma  5.0     0.0 
+        Fe+2 + Cl- = FeCl+
+        log_k 0.14
+        -gamma 5 0
 
 #BaSO4               543
-        Ba+2 + SO4-2 = BaSO4 
-        log_k           2.7
+        Ba+2 + SO4-2 = BaSO4
+        log_k 2.7
 
 #HSe- secondary master species   549
-        SeO3-2 + 7H+ + 6e- = HSe- + 3H2O 
-        log_k           42.514
+        SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O
+        log_k 42.514
 
 #H2Se                544
-        HSe- + H+ = H2Se 
-        log_k           3.8
+        HSe- + H+ = H2Se
+        log_k 3.8
         delta_h -5.3 kcal
 
 #SeO3-2 secondary master species   548
-        SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O 
-        log_k           30.256
+        SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O
+        log_k 30.256
 
 #H2SeO3              545
-        SeO3-2 + 2H+ = H2SeO3
-        log_k           11.25
+        SeO3-2 + 2 H+ = H2SeO3
+        log_k 11.25
 
 #HSeO3-              546
         SeO3-2 + H+ = HSeO3-
-        log_k           8.5
+        log_k 8.5
 
 #HSeO4-              547
         SeO4-2 + H+ = HSeO4-
-        log_k           1.66
+        log_k 1.66
         delta_h 4.91 kcal
 
 #Se4/Se6             548
-#       SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- 
+#       SeO3-2 + H2O = SeO4-2 + 2H+ + 2e-
 #       -30.256 0.0
 
 #Se4/Se-2            549
-#       SeO3-2 + 7H+ + 6e- = HSe- + 3H2O 
+#       SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
 #       42.514  0.0
 
 #As3/As              557
-#       H3AsO3 + 3H+ + 3e- = As + 3H2O 
+#       H3AsO3 + 3H+ + 3e- = As + 3H2O
 #       12.170  0.0
 
 #FeHCO3+             558
         Fe+2 + HCO3- = FeHCO3+
-        log_k           2.0
+        log_k 2
 
 #FeCO3               559
-        Fe+2 + CO3-2 = FeCO3 
-        log_k           4.38
+        Fe+2 + CO3-2 = FeCO3
+        log_k 4.38
 
 #MnCO3               560
-        Mn+2 + CO3-2 = MnCO3 
-        log_k           4.9
+        Mn+2 + CO3-2 = MnCO3
+        log_k 4.9
 
 #BaHCO3+             561
         Ba+2 + HCO3- = BaHCO3+
-        log_k           0.982
+        log_k 0.982
         delta_h 5.56 kcal
-        -analytical     -3.0938         0.013669        0.0     0.0     0.0
+        -analytical -3.0938 0.013669 0 0 0
 
 #BaCO3               562
-        Ba+2 + CO3-2 = BaCO3 
-        log_k           2.71
+        Ba+2 + CO3-2 = BaCO3
+        log_k 2.71
         delta_h 3.55 kcal
-        -analytical     0.113   0.008721        0.0     0.0     0.0
+        -analytical 0.113 0.008721 0 0 0
 
 #SrSO4               563
-        Sr+2 + SO4-2 = SrSO4 
-        log_k           2.29
+        Sr+2 + SO4-2 = SrSO4
+        log_k 2.29
         delta_h 2.08 kcal
 
 #U+4 secondary master species   565
-        UO2+2 + 4H+ + 2e- = U+4 + 2H2O 
-        log_k           9.04
+        UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O
+        log_k 9.04
         delta_h -34.43 kcal
 
 #U+3 secondary master species   566
-        U+4 + e- = U+3 
-        log_k           -8.796
+        U+4 + e- = U+3
+        log_k -8.796
         delta_h 24.4 kcal
 
 #UOH+3               567
-        U+4 + H2O = UOH+3 + H+ 
-        log_k           -0.54
+        U+4 + H2O = UOH+3 + H+
+        log_k -0.54
         delta_h 11.21 kcal
 
 #U(OH)2+2            568
-        U+4 + 2H2O = U(OH)2+2 + 2H+ 
-        log_k           -2.27
+        U+4 + 2 H2O = U(OH)2+2 + 2 H+
+        log_k -2.27
         delta_h 17.73 kcal
 
 #U(OH)3+             569
-        U+4 + 3H2O = U(OH)3+ + 3H+ 
-        log_k           -4.935
+        U+4 + 3 H2O = U(OH)3+ + 3 H+
+        log_k -4.935
         delta_h 22.645 kcal
 
 #U(OH)4              570
-        U+4 + 4H2O = U(OH)4 + 4H+ 
-        log_k           -8.498
+        U+4 + 4 H2O = U(OH)4 + 4 H+
+        log_k -8.498
         delta_h 24.76 kcal
 
 #U6(OH)15+9          572
-        6U+4 + 15H2O = U6(OH)15+9 + 15H+ 
-        log_k           -17.2
+        6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
+        log_k -17.2
 
 #UF+3                578
-        U+4 + F- = UF+3 
-        log_k           9.3
+        U+4 + F- = UF+3
+        log_k 9.3
         delta_h -1.3 kcal
 
 #UF2+2               579
-        U+4 + 2F- = UF2+2 
-        log_k           16.22
+        U+4 + 2 F- = UF2+2
+        log_k 16.22
         delta_h -0.8 kcal
 
 #UF3+                580
-        U+4 + 3F- = UF3+ 
-        log_k           21.6
+        U+4 + 3 F- = UF3+
+        log_k 21.6
         delta_h 0.1 kcal
 
 #UF4                 581
-        U+4 + 4F- = UF4
-        log_k           25.5
+        U+4 + 4 F- = UF4
+        log_k 25.5
         delta_h -0.87 kcal
 
 #UF5-                582
-        U+4 + 5F- = UF5-
-        log_k           27.01
+        U+4 + 5 F- = UF5-
+        log_k 27.01
         delta_h 4.85 kcal
 
 #UF6-2               583
-        U+4 + 6F- = UF6-2
-        log_k           29.1
+        U+4 + 6 F- = UF6-2
+        log_k 29.1
         delta_h 3.3 kcal
 
 #UCl+3               586
-        U+4 + Cl- = UCl+3 
-        log_k           1.72
+        U+4 + Cl- = UCl+3
+        log_k 1.72
         delta_h -4.54 kcal
 
 #USO4+2              587
-        U+4 + SO4-2 = USO4+2 
-        log_k           6.58
+        U+4 + SO4-2 = USO4+2
+        log_k 6.58
         delta_h 1.9 kcal
 
 #U(SO4)2             588
-        U+4 + 2SO4-2 = U(SO4)2 
-        log_k           10.5
+        U+4 + 2 SO4-2 = U(SO4)2
+        log_k 10.5
         delta_h 7.8 kcal
 
 #U(CO3)4-4           589
-        U+4 + 4CO3-2 = U(CO3)4-4 
-        log_k           32.9
+        U+4 + 4 CO3-2 = U(CO3)4-4
+        log_k 32.9
 
 #U(CO3)5-6           590
-        U+4 + 5CO3-2 = U(CO3)5-6 
-        log_k           34.0
-        delta_h 20.0 kcal
+        U+4 + 5 CO3-2 = U(CO3)5-6
+        log_k 34
+        delta_h 20 kcal
 
 #UO2+ secondary master species   595
-        UO2+2 + e- = UO2+ 
-        log_k           1.49
+        UO2+2 + e- = UO2+
+        log_k 1.49
         delta_h -3.3 kcal
 
 #UO2OH+              596
-        UO2+2 + H2O = UO2OH+ + H+ 
-        log_k           -5.2
+        UO2+2 + H2O = UO2OH+ + H+
+        log_k -5.2
         delta_h 11.015 kcal
 
 #(UO2)2(OH)2+2       597
-        2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ 
-        log_k           -5.62
+        2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+        log_k -5.62
         delta_h 10.23 kcal
 
 #(UO2)3(OH)5+        598
-        3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ 
-        log_k           -15.55
+        3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
+        log_k -15.55
         delta_h 25.075 kcal
 
 #UO2CO3              603
-        UO2+2 + CO3-2 = UO2CO3 
-        log_k           9.63
+        UO2+2 + CO3-2 = UO2CO3
+        log_k 9.63
         delta_h 1.2 kcal
 
 #UO2(CO3)2-2         604
-        UO2+2 + 2CO3-2 = UO2(CO3)2-2 
-        log_k           17.0
+        UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+        log_k 17
         delta_h 4.42 kcal
 
 #UO2(CO3)3-4         605
-        UO2+2 + 3CO3-2 = UO2(CO3)3-4
-        log_k           21.63
+        UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+        log_k 21.63
         delta_h -9.13 kcal
 
 #UO2F+               607
-        UO2+2 + F- = UO2F+ 
-        log_k           5.09
+        UO2+2 + F- = UO2F+
+        log_k 5.09
         delta_h 0.41 kcal
 
 #UO2F2               608
-        UO2+2 + 2F- = UO2F2 
-        log_k           8.62
+        UO2+2 + 2 F- = UO2F2
+        log_k 8.62
         delta_h 0.5 kcal
 
 #UO2F3-              609
-        UO2+2 + 3F- = UO2F3-
-        log_k           10.9
+        UO2+2 + 3 F- = UO2F3-
+        log_k 10.9
         delta_h 0.56 kcal
 
 #UO2F4-2             610
-        UO2+2 + 4F- = UO2F4-2
-        log_k           11.7
+        UO2+2 + 4 F- = UO2F4-2
+        log_k 11.7
         delta_h 0.07 kcal
 
 #UO2Cl+              611
-        UO2+2 + Cl- = UO2Cl+ 
-        log_k           0.17
+        UO2+2 + Cl- = UO2Cl+
+        log_k 0.17
         delta_h 1.9 kcal
 
 #UO2SO4              612
-        UO2+2 + SO4-2 = UO2SO4 
-        log_k           3.15
+        UO2+2 + SO4-2 = UO2SO4
+        log_k 3.15
         delta_h 4.7 kcal
 
 #UO2(SO4)2-2         613
-        UO2+2 + 2SO4-2 = UO2(SO4)2-2
-        log_k           4.14
+        UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+        log_k 4.14
         delta_h 8.4 kcal
 
 #UO2HPO4             614
-        UO2+2 + PO4-3 + H+ = UO2HPO4 
-        log_k           20.21
+        UO2+2 + PO4-3 + H+ = UO2HPO4
+        log_k 20.21
         delta_h -2.1 kcal
 
 #UO2(HPO4)2-2         615
-        UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 
-        log_k           43.441
+        UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
+        log_k 43.441
         delta_h -11.8 kcal
 
 #UO2H2PO4+           616
-        UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
-        log_k           22.87
+        UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+
+        log_k 22.87
         delta_h -3.7 kcal
 
 #UO2H2PO4)2          617
-        UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
-        log_k           44.38
+        UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
+        log_k 44.38
         delta_h -16.5 kcal
 
 #UO2H2PO4)3-         618
-        UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
-        log_k           66.245
+        UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
+        log_k 66.245
         delta_h -28.6 kcal
 
 #UBr+3               633
-        U+4 + Br- = UBr+3 
-        log_k           1.5
+        U+4 + Br- = UBr+3
+        log_k 1.5
 
 #UI+3                634
-        U+4 + I- = UI+3 
-        log_k           1.3
+        U+4 + I- = UI+3
+        log_k 1.3
 
 #UNO3+3              635
-        U+4 + NO3- = UNO3+3 
-        log_k           1.47
+        U+4 + NO3- = UNO3+3
+        log_k 1.47
 
 #U(NO3)2+2           636
-        U+4 + 2NO3- = U(NO3)2+2 
-        log_k           2.3
+        U+4 + 2 NO3- = U(NO3)2+2
+        log_k 2.3
 
 #UO2(OH)3-           638
-        UO2+2 + 3H2O = UO2(OH)3- + 3H+ 
-        log_k           -19.2
+        UO2+2 + 3 H2O = UO2(OH)3- + 3 H+
+        log_k -19.2
 
 #UO2(OH)4-2          639
-        UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ 
-        log_k           -33.0
+        UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+
+        log_k -33
 
 #(UO2)2OH+3          640
-        2UO2+2 + H2O = (UO2)2OH+3 + H+ 
-        log_k           -2.7
+        2 UO2+2 + H2O = (UO2)2OH+3 + H+
+        log_k -2.7
 
 #(UO2)3(OH)4+2       641
-        3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ 
-        log_k           -11.9
+        3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+
+        log_k -11.9
 
 #(UO2)3(OH)7-        642
-        3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ 
-        log_k           -31.0
+        3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+
+        log_k -31
 
 #(UO2)4(OH)7+        643
-        4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ 
-        log_k           -21.9
+        4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+
+        log_k -21.9
 
 #UO2Cl2              644
-        UO2+2 + 2Cl- = UO2Cl2 
-        log_k           -1.1
+        UO2+2 + 2 Cl- = UO2Cl2
+        log_k -1.1
         delta_h 3.6 kcal
 
 #UO2Br+              645
-        UO2+2 + Br- = UO2Br+ 
-        log_k           0.22
+        UO2+2 + Br- = UO2Br+
+        log_k 0.22
 
 #UO2NO3+             646
-        UO2+2 + NO3- = UO2NO3+ 
-        log_k           0.3
+        UO2+2 + NO3- = UO2NO3+
+        log_k 0.3
 
 #UO2H3PO4+2          647
-        UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 
-        log_k           22.813
+        UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2
+        log_k 22.813
 
 #(UO2)3(CO3)6-6      648
-        3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 
-        log_k           54.0
+        3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6
+        log_k 54
 
 #UO2PO4-             649
         UO2+2 + PO4-3 = UO2PO4-
-        log_k           13.69
+        log_k 13.69
 
 #UO2(CO3)3-5         650
-#       UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 
+#       UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5
 #       log_k           8.920
-        UO2+ + 3CO3-2 = UO2(CO3)3-5
-        log_k           7.43
+        UO2+ + 3 CO3-2 = UO2(CO3)3-5
+        log_k 7.43
         delta_h 3.33 kcal
 
 PHASES
 
 H2O(g)
         H2O = H2O
-        log_k           1.51
-        delta_h         -44.03   kJ
+        log_k 1.51
+        delta_h -44.03 kJ
 #    Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978)
 
-Siderite(d)(3)      9
-        FeCO3 = Fe+2 + CO3-2 
-        log_k           -10.45
+Siderite(d)(3) 9
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.45
 
-Magnesite           10
-        MgCO3 = Mg+2 + CO3-2 
-        log_k           -8.029
+Magnesite 10
+        MgCO3 = Mg+2 + CO3-2
+        log_k -8.029
         delta_h -6.169 kcal
 
-Dolomite(d)         11
-        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 
-        log_k           -16.54
+Dolomite(d) 11
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -16.54
         delta_h -11.09 kcal
 
-Calcite             12
-        CaCO3 = Ca+2 + CO3-2 
-        log_k           -8.48
+Calcite 12
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.48
         delta_h -2.297 kcal
-        -analytical     -171.9065       -0.077993       2839.319        71.595  0.0
+        -analytical -171.9065 -0.077993 2839.319 71.595 0
 
-Anhydrite           17
-        CaSO4 = Ca+2 + SO4-2 
-        log_k           -4.36
+Anhydrite 17
+        CaSO4 = Ca+2 + SO4-2
+        log_k -4.36
         delta_h -1.71 kcal
-        -analytical     197.52  0.0     -8669.8         -69.835         0.0
+        -analytical 197.52 0 -8669.8 -69.835 0
 
-Gypsum              18
-        CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O 
-        log_k           -4.58
+Gypsum 18
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+        log_k -4.58
         delta_h -0.109 kcal
-        -analytical     68.2401         0.0     -3221.51        -25.0627        0.0
+        -analytical 68.2401 0 -3221.51 -25.0627 0
 
-Brucite             19
-        Mg(OH)2 + 2H+ = Mg+2 + 2H2O 
-        log_k           16.84
+Brucite 19
+        Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+        log_k 16.84
         delta_h -27.1 kcal
 
-Chrysotile          20
-        Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O 
-        log_k           32.2
+Chrysotile 20
+        Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+        log_k 32.2
         delta_h -46.8 kcal
-        -analytical     13.248  0.0     10217.1         -6.1894         0.0
+        -analytical 13.248 0 10217.1 -6.1894 0
 
-Aragonite           21
-        CaCO3 = Ca+2 + CO3-2 
-        log_k           -8.336
+Aragonite 21
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.336
         delta_h -2.589 kcal
-        -analytical     -171.9773       -0.077993       2903.293        71.595  0.0
+        -analytical -171.9773 -0.077993 2903.293 71.595 0
 
-Forsterite          27
-        Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 
-        log_k           28.306
+Forsterite 27
+        Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
+        log_k 28.306
         delta_h -48.578 kcal
 
-Diopside            28
-        CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 
-        log_k           19.894
+Diopside 28
+        CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4
+        log_k 19.894
         delta_h -32.348 kcal
 
-Clinoenstatite      29
-        MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 
-        log_k           11.342
+Clinoenstatite 29
+        MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4
+        log_k 11.342
         delta_h -20.049 kcal
 
-Tremolite           31
-        Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 
-        log_k           56.574
+Tremolite 31
+        Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
+        log_k 56.574
         delta_h -96.853 kcal
 
-Sepiolite           36
-        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 
-        log_k           15.76
+Sepiolite 36
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 15.76
         delta_h -10.7 kcal
 
-Talc                37
-        Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 
-        log_k           21.399
+Talc 37
+        Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+        log_k 21.399
         delta_h -46.352 kcal
 
-Hydromagnesite      38
-        Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O 
-        log_k           -8.762
+Hydromagnesite 38
+        Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
+        log_k -8.762
         delta_h -52.244 kcal
 
-Adularia            39
-        KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 
-        log_k           -20.573
+Adularia 39
+        KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
+        log_k -20.573
         delta_h 30.82 kcal
 
-Albite              40
-        NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 
-        log_k           -18.002
+Albite 40
+        NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
+        log_k -18.002
         delta_h 25.896 kcal
 
-Anorthite           41
-        CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 
-        log_k           -19.714
+Anorthite 41
+        CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
+        log_k -19.714
         delta_h 11.58 kcal
 
-Analcime            42
-        NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 
-        log_k           -12.701
+Analcime 42
+        NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4
+        log_k -12.701
         delta_h 18.206 kcal
 
-Kmica               43
-        KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 
-        log_k           12.703
+Kmica 43
+        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+        log_k 12.703
         delta_h -59.376 kcal
 
-Phlogopite          44
-        KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 
-        log_k           43.3
-        delta_h -42.30 kcal
+Phlogopite 44
+        KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4
+        log_k 43.3
+        delta_h -42.3 kcal
 
-Illite              45
-        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
-        log_k           -40.267
+Illite 45
+        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+        log_k -40.267
         delta_h 54.684 kcal
 
-Kaolinite           46
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O 
-        log_k           7.435
+Kaolinite 46
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 7.435
         delta_h -35.3 kcal
 
-Halloysite          47
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O 
-        log_k           12.498
-        delta_h -39.920 kcal
+Halloysite 47
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 12.498
+        delta_h -39.92 kcal
 
-Beidellite          48
-        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
-        log_k           -45.272
+Beidellite 48
+        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.272
         delta_h 60.355 kcal
 
-Chlorite14A         49
-        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O 
-        log_k           68.38
+Chlorite14A 49
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 68.38
         delta_h -151.494 kcal
 
-Alunite             50
-        KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
-        log_k           -1.4
+Alunite 50
+        KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+        log_k -1.4
         delta_h -50.25 kcal
 
-Gibbsite            51
-        Al(OH)3 + 3H+ = Al+3 + 3H2O 
-        log_k           8.11
+Gibbsite 51
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 8.11
         delta_h -22.8 kcal
 
-Boehmite            52
-        AlOOH + 3H+ = Al+3 + 2H2O 
-        log_k           8.584
+Boehmite 52
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 8.584
         delta_h -28.181 kcal
 
-Pyrophyllite        53
-        Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ 
-        log_k           -48.314
+Pyrophyllite 53
+        Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+
+        log_k -48.314
 
-Phillipsite         54
-        Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4
-        log_k           -19.874
+Phillipsite 54
+        Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4
+        log_k -19.874
 
-Nahcolite           58
+Nahcolite 58
         NaHCO3 = Na+ + HCO3-
-        log_k           -0.548
-        delta_h 3.720 kcal
+        log_k -0.548
+        delta_h 3.72 kcal
 
-Trona               59
-        NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3-
-        log_k           -0.795
-        delta_h -18.0 kcal
+Trona 59
+        NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3-
+        log_k -0.795
+        delta_h -18 kcal
 
-Natron              60
-        Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O 
-        log_k           -1.311
+Natron 60
+        Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
+        log_k -1.311
         delta_h 15.745 kcal
 
-Thermonatrite       61
-        Na2CO3:H2O = 2Na+ + CO3-2 + H2O 
-        log_k           0.125
+Thermonatrite 61
+        Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
+        log_k 0.125
         delta_h -2.802 kcal
 
-Fluorite            62
-        CaF2 = Ca+2 + 2F- 
-        log_k           -10.6
+Fluorite 62
+        CaF2 = Ca+2 + 2 F-
+        log_k -10.6
         delta_h 4.69 kcal
-        -analytical     66.348  0.0     -4298.2         -25.271         0.0
+        -analytical 66.348 0 -4298.2 -25.271 0
 
-Montmorillonite-Ca     63
-        Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
-        log_k           -45.027
+Montmorillonite-Ca 63
+        Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.027
         delta_h 58.373 kcal
 
-Halite              64
-        NaCl = Na+ + Cl- 
-        log_k           1.582
+Halite 64
+        NaCl = Na+ + Cl-
+        log_k 1.582
         delta_h 0.918 kcal
 
-Thenardite          65
-        Na2SO4 = 2Na+ + SO4-2 
-        log_k           -0.179
+Thenardite 65
+        Na2SO4 = 2 Na+ + SO4-2
+        log_k -0.179
         delta_h -0.572 kcal
 
-Mirabilite          66
-        Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O 
-        log_k           -1.114
+Mirabilite 66
+        Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+        log_k -1.114
         delta_h 18.987 kcal
 
-Mackinawite         67
-        FeS + H+ = Fe+2 + HS- 
-        log_k           -4.648
+Mackinawite 67
+        FeS + H+ = Fe+2 + HS-
+        log_k -4.648
 
-Siderite            94
-        FeCO3 = Fe+2 + CO3-2 
-        log_k           -10.89
+Siderite 94
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.89
         delta_h -2.48 kcal
 
-Hydroxyapatite      95
-        Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O 
-        log_k           -3.421
+Hydroxyapatite 95
+        Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O
+        log_k -3.421
         delta_h -36.155 kcal
 
-Fluorapatite        96
-        Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- 
-        log_k           -17.6
-        delta_h -20.070 kcal
+Fluorapatite 96
+        Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F-
+        log_k -17.6
+        delta_h -20.07 kcal
 
-Chalcedony          97
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.55
+Chalcedony 97
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.55
         delta_h 4.72 kcal
-        -analytical     -0.09   0.0     -1032.0         0.0     0.0
+        -analytical -0.09 0 -1032 0 0
 
-Magadiite           98
-        NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 
-        log_k           -14.3
+Magadiite 98
+        NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4
+        log_k -14.3
 
-Cristobalite        99
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.587
+Cristobalite 99
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.587
         delta_h 5.5 kcal
 
-Silicagel           100
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.018
-        delta_h 4.440 kcal
+Silicagel 100
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.018
+        delta_h 4.44 kcal
 
-Quartz              101
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.98
+Quartz 101
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.98
         delta_h 5.99 kcal
-        -analytical     0.41    0.0     -1309.0         0.0     0.0
+        -analytical 0.41 0 -1309 0 0
 
-Vivianite           106
-        Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O 
-        log_k           -36.0
+Vivianite 106
+        Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+        log_k -36
 
-Magnetite           107
-        Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O 
-        log_k           3.737
-        delta_h -50.460 kcal
+Magnetite 107
+        Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+        log_k 3.737
+        delta_h -50.46 kcal
 
-Hematite            108
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O 
-        log_k           -4.008
+Hematite 108
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k -4.008
         delta_h -30.845 kcal
 
-Maghemite           109
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O 
-        log_k           6.386
+Maghemite 109
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k 6.386
 
-Goethite            110
-        FeOOH + 3H+ = Fe+3 + 2H2O 
-        log_k           -1.0
-        delta_h         -14.48 kcal
+Goethite 110
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k -1
+        delta_h -14.48 kcal
 
-Greenalite          111
-        Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O 
-        log_k           20.810
+Greenalite 111
+        Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
+        log_k 20.81
 
-Fe(OH)3(a)          112
-        Fe(OH)3 + 3H+ = Fe+3 + 3H2O 
-        log_k           4.891
+Fe(OH)3(a) 112
+        Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+        log_k 4.891
 
-Annite              113
-        KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH-
-        log_k           -85.645
-        delta_h 62.480 kcal
+Annite 113
+        KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH-
+        log_k -85.645
+        delta_h 62.48 kcal
 
-Pyrite              114
-        FeS2 + 2H+ + 2e- = Fe+2 + 2HS- 
-        log_k           -18.479
+Pyrite 114
+        FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+        log_k -18.479
         delta_h 11.3 kcal
 
-Montmorillonite-BelleFourche    115
-        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4
-        log_k           -34.913
+Montmorillonite-BelleFourche 115
+        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4
+        log_k -34.913
 
-Montmorillonite-Aberdeen        116
-        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4
-        log_k           -29.688
+Montmorillonite-Aberdeen 116
+        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4
+        log_k -29.688
 
-Huntite             117
-        CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 
-        log_k           -29.968
-        delta_h -25.760 kcal
+Huntite 117
+        CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
+        log_k -29.968
+        delta_h -25.76 kcal
 
-Greigite            118
-        Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- 
-        log_k           -45.035
+Greigite 118
+        Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
+        log_k -45.035
 
-FeS(ppt)              119
-        FeS + H+ = Fe+2 + HS- 
-        log_k           -3.915
+FeS(ppt) 119
+        FeS + H+ = Fe+2 + HS-
+        log_k -3.915
 
-Chlorite7A          125
-        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O
-        log_k           71.752
+Chlorite7A 125
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 71.752
         delta_h -155.261 kcal
 
-Laumontite          128
-        CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 
-        log_k           -30.960
-        delta_h 39.610 kcal
+Laumontite 128
+        CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -30.96
+        delta_h 39.61 kcal
 
-Jarosite(ss)        133
-        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O
-        log_k           -9.83   # WATEQ4F, Alpers and others, 1989
+Jarosite(ss) 133
+        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.83 # WATEQ4F, Alpers and others, 1989
 
 
-Mn2(SO4)3           134
-        Mn2(SO4)3 = 2Mn+3 + 3SO4-2 
-        log_k           -5.711
-        delta_h -39.060 kcal
+Mn2(SO4)3 134
+        Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
+        log_k -5.711
+        delta_h -39.06 kcal
 
-Al(OH)3(a)          140
-        Al(OH)3 + 3H+ = Al+3 + 3H2O 
-        log_k           10.8
+Al(OH)3(a) 140
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 10.8
         delta_h -26.5 kcal
 
-Prehnite            141
-        Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 
-        log_k           -11.695
-        delta_h 10.390 kcal
+Prehnite 141
+        Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4
+        log_k -11.695
+        delta_h 10.39 kcal
 
-Strontianite        142
-        SrCO3 = Sr+2 + CO3-2 
-        log_k           -9.271
+Strontianite 142
+        SrCO3 = Sr+2 + CO3-2
+        log_k -9.271
         delta_h -0.4 kcal
-        -analytical     155.0305        0.0     -7239.594       -56.58638       0.0
+        -analytical 155.0305 0 -7239.594 -56.58638 0
 
-Celestite           143
-        SrSO4 = Sr+2 + SO4-2 
-        log_k           -6.63
+Celestite 143
+        SrSO4 = Sr+2 + SO4-2
+        log_k -6.63
         delta_h -1.037 kcal
-        -analytical     -14805.9622     -2.4660924      756968.533      5436.3588       -40553604.
+        -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604
 
-Barite              144
-        BaSO4 = Ba+2 + SO4-2 
-        log_k           -9.97
+Barite 144
+        BaSO4 = Ba+2 + SO4-2
+        log_k -9.97
         delta_h 6.35 kcal
-        -analytical     136.035         0.0     -7680.41        -48.595         0.0
+        -analytical 136.035 0 -7680.41 -48.595 0
 
-Witherite           145
-        BaCO3 = Ba+2 + CO3-2 
-        log_k           -8.562
+Witherite 145
+        BaCO3 = Ba+2 + CO3-2
+        log_k -8.562
         delta_h 0.703 kcal
-        -analytical     607.642         0.121098        -20011.25       -236.4948       0.0
+        -analytical 607.642 0.121098 -20011.25 -236.4948 0
 
-Strengite           146
-        FePO4:2H2O = Fe+3 + PO4-3 + 2H2O 
-        log_k           -26.4
-        delta_h -2.030 kcal
+Strengite 146
+        FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
+        log_k -26.4
+        delta_h -2.03 kcal
 
-Leonhardite         147
-        Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 
-        log_k           -69.756
-        delta_h 90.070 kcal
+Leonhardite 147
+        Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4
+        log_k -69.756
+        delta_h 90.07 kcal
 
-Nesquehonite        149
-        MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O 
-        log_k           -5.621
+Nesquehonite 149
+        MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
+        log_k -5.621
         delta_h -5.789 kcal
 
-Artinite            150
-        MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O 
-        log_k           9.6
+Artinite 150
+        MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
+        log_k 9.6
         delta_h -28.742 kcal
 
-Sepiolite(d)        153
-        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 
-        log_k           18.66
+Sepiolite(d) 153
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 18.66
 
-Diaspore            154
-        AlOOH + 3H+ = Al+3 + 2H2O 
-        log_k           6.879
+Diaspore 154
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 6.879
         delta_h -24.681 kcal
 
-Wairakite           155
-        CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 
-        log_k           -26.708
-        delta_h 26.140 kcal
+Wairakite 155
+        CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -26.708
+        delta_h 26.14 kcal
 
-Fe(OH)2.7Cl.3       181
-        Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- 
-        log_k           -3.040
+Fe(OH)2.7Cl.3 181
+        Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
+        log_k -3.04
 
-MnSO4               182
-        MnSO4 = Mn+2 + SO4-2 
-        log_k           2.669
-        delta_h -15.480 kcal
+MnSO4 182
+        MnSO4 = Mn+2 + SO4-2
+        log_k 2.669
+        delta_h -15.48 kcal
 
-Pyrolusite          183
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           41.38
+Pyrolusite 183
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 41.38
         delta_h -65.11 kcal
 
-Birnessite          184
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           43.601
+Birnessite 184
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 43.601
 
-Nsutite             185
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           42.564
+Nsutite 185
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 42.564
 
-Bixbyite            186
-        Mn2O3 + 6H+ = 2Mn+3 + 3H2O 
-        log_k           -0.611
+Bixbyite 186
+        Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+        log_k -0.611
         delta_h -15.245 kcal
 
-Hausmannite         187
-        Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O 
-        log_k           61.03
+Hausmannite 187
+        Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+        log_k 61.03
         delta_h -100.64 kcal
 
-Pyrochroite         188
-        Mn(OH)2 + 2H+ = Mn+2 + 2H2O 
-        log_k           15.2
+Pyrochroite 188
+        Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+        log_k 15.2
 
-Manganite           189
-        MnOOH + 3H+ + e- = Mn+2 + 2H2O 
-        log_k           25.340
+Manganite 189
+        MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+        log_k 25.34
 
-Rhodochrosite(d)    190
-        MnCO3 = Mn+2 + CO3-2 
-        log_k           -10.390
+Rhodochrosite(d) 190
+        MnCO3 = Mn+2 + CO3-2
+        log_k -10.39
 
-MnCl2:4H2O          191
-        MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O 
-        log_k           2.710
-        delta_h 17.380 kcal
+MnCl2:4H2O 191
+        MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+        log_k 2.71
+        delta_h 17.38 kcal
 
-MnS(Green)          192
-        MnS + H+ = Mn+2 + HS- 
-        log_k           3.8
-        delta_h -5.790 kcal
+MnS(Green) 192
+        MnS + H+ = Mn+2 + HS-
+        log_k 3.8
+        delta_h -5.79 kcal
 
-Mn3(PO4)2           193
-        Mn3(PO4)2 = 3Mn+2 + 2PO4-3 
-        log_k           -23.827
-        delta_h 2.120 kcal
+Mn3(PO4)2 193
+        Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
+        log_k -23.827
+        delta_h 2.12 kcal
 
-MnHPO4              194
-        MnHPO4 = Mn+2 + HPO4-2 
-        log_k           -12.947
+MnHPO4 194
+        MnHPO4 = Mn+2 + HPO4-2
+        log_k -12.947
 
-Jarosite-Na         204
-        NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O 
-        log_k           -5.280
-        delta_h -36.180 kcal
+Jarosite-Na 204
+        NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -5.28
+        delta_h -36.18 kcal
 
-Jarosite-K          205
-        KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O 
-        log_k           -9.21
+Jarosite-K 205
+        KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.21
         delta_h -31.28 kcal
 
-CuMetal             223
-        Cu = Cu+ + e- 
-        log_k           -8.760
-        delta_h 17.130 kcal
+CuMetal 223
+        Cu = Cu+ + e-
+        log_k -8.76
+        delta_h 17.13 kcal
 
-Nantokite           224
-        CuCl = Cu+ + Cl- 
-        log_k           -6.760
-        delta_h 9.980 kcal
+Nantokite 224
+        CuCl = Cu+ + Cl-
+        log_k -6.76
+        delta_h 9.98 kcal
 
-CuF                 225
-        CuF = Cu+ + F- 
-        log_k           7.080
-        delta_h -12.370 kcal
+CuF 225
+        CuF = Cu+ + F-
+        log_k 7.08
+        delta_h -12.37 kcal
 
-Cuprite             226
-        Cu2O + 2H+ = 2Cu+ + H2O 
-        log_k           -1.550
+Cuprite 226
+        Cu2O + 2 H+ = 2 Cu+ + H2O
+        log_k -1.55
         delta_h 6.245 kcal
 
-Chalcocite          227
-        Cu2S + H+ = 2Cu+ + HS- 
-        log_k           -34.619
-        delta_h 49.350 kcal
+Chalcocite 227
+        Cu2S + H+ = 2 Cu+ + HS-
+        log_k -34.619
+        delta_h 49.35 kcal
 
-Cu2SO4              228
-        Cu2SO4 = 2Cu+ + SO4-2 
-        log_k           -1.950
-        delta_h -4.560 kcal
+Cu2SO4 228
+        Cu2SO4 = 2 Cu+ + SO4-2
+        log_k -1.95
+        delta_h -4.56 kcal
 
-CuprousFerrite      229
-        CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O 
-        log_k           -8.920
+CuprousFerrite 229
+        CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+        log_k -8.92
         delta_h -3.8 kcal
 
-Melanothallite      230
-        CuCl2 = Cu+2 + 2Cl- 
-        log_k           3.730
-        delta_h -12.320 kcal
+Melanothallite 230
+        CuCl2 = Cu+2 + 2 Cl-
+        log_k 3.73
+        delta_h -12.32 kcal
 
-CuCO3               231
-        CuCO3 = Cu+2 + CO3-2 
-        log_k           -9.630
+CuCO3 231
+        CuCO3 = Cu+2 + CO3-2
+        log_k -9.63
 
-CuF2                232
-        CuF2 = Cu+2 + 2F- 
-        log_k           -0.620
-        delta_h -13.320 kcal
+CuF2 232
+        CuF2 = Cu+2 + 2 F-
+        log_k -0.62
+        delta_h -13.32 kcal
 
-CuF2:2H2O           233
-        CuF2:2H2O = Cu+2 + 2F- + 2H2O 
-        log_k           -4.550
-        delta_h -3.650 kcal
+CuF2:2H2O 233
+        CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+        log_k -4.55
+        delta_h -3.65 kcal
 
-Cu(OH)2             234
-        Cu(OH)2 + 2H+ = Cu+2 + 2H2O 
-        log_k           8.640
-        delta_h -15.250 kcal
+Cu(OH)2 234
+        Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
+        log_k 8.64
+        delta_h -15.25 kcal
 
-Malachite           235
-        Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3-
-        log_k           5.150
-        delta_h -19.760 kcal
+Malachite 235
+        Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3-
+        log_k 5.15
+        delta_h -19.76 kcal
 
-Azurite             236
-        Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3-
-        log_k           3.750
-        delta_h -30.870 kcal
+Azurite 236
+        Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3-
+        log_k 3.75
+        delta_h -30.87 kcal
 
-Atacamite           237
-        Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- 
-        log_k           7.340
-        delta_h -18.690 kcal
+Atacamite 237
+        Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
+        log_k 7.34
+        delta_h -18.69 kcal
 
-Cu2(OH)3NO3         238
-        Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- 
-        log_k           9.240
-        delta_h -17.350 kcal
+Cu2(OH)3NO3 238
+        Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
+        log_k 9.24
+        delta_h -17.35 kcal
 
-Antlerite           239
-        Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 
-        log_k           8.290
+Antlerite 239
+        Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
+        log_k 8.29
 
-Brochantite         240
-        Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 
-        log_k           15.340
+Brochantite 240
+        Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
+        log_k 15.34
 
-Langite             241
-        Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 
-        log_k           16.790
-        delta_h -39.610 kcal
+Langite 241
+        Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
+        log_k 16.79
+        delta_h -39.61 kcal
 
-Tenorite            242
-        CuO + 2H+ = Cu+2 + H2O 
-        log_k           7.620
-        delta_h -15.240 kcal
+Tenorite 242
+        CuO + 2 H+ = Cu+2 + H2O
+        log_k 7.62
+        delta_h -15.24 kcal
 
-CuOCuSO4            243
-        CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 
-        log_k           11.530
+CuOCuSO4 243
+        CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
+        log_k 11.53
         delta_h -35.575 kcal
 
-Cu3(PO4)2           244
-        Cu3(PO4)2 = 3Cu+2 + 2PO4-3 
-        log_k           -36.850
+Cu3(PO4)2 244
+        Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
+        log_k -36.85
 
-Cu3(PO4)2:3H2O      245
-        Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O 
-        log_k           -35.120
+Cu3(PO4)2:3H2O 245
+        Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
+        log_k -35.12
 
-Covellite           246
-        CuS + H+ = Cu+2 + HS- 
-        log_k           -22.270
-        delta_h 24.010 kcal
+Covellite 246
+        CuS + H+ = Cu+2 + HS-
+        log_k -22.27
+        delta_h 24.01 kcal
 
-CuSO4               247
-        CuSO4 = Cu+2 + SO4-2 
-        log_k           3.010
-        delta_h -18.140 kcal
+CuSO4 247
+        CuSO4 = Cu+2 + SO4-2
+        log_k 3.01
+        delta_h -18.14 kcal
 
-Chalcanthite        248
-        CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O 
-        log_k           -2.640
-        delta_h 1.440 kcal
+Chalcanthite 248
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+        log_k -2.64
+        delta_h 1.44 kcal
 
-CupricFerrite       249
-        CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O 
-        log_k           5.880
-        delta_h -38.690 kcal
+CupricFerrite 249
+        CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+        log_k 5.88
+        delta_h -38.69 kcal
 
-Chalcopyrite        250
-        CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- 
-        log_k           -35.270
-        delta_h 35.480 kcal
+Chalcopyrite 250
+        CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+        log_k -35.27
+        delta_h 35.48 kcal
 
-ZnMetal             265
-        Zn = Zn+2 + 2e- 
-        log_k           25.757
-        delta_h -36.780 kcal
+ZnMetal 265
+        Zn = Zn+2 + 2 e-
+        log_k 25.757
+        delta_h -36.78 kcal
 
-Zn(BO2)2            266
-        Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 
-        log_k           8.290
+Zn(BO2)2 266
+        Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
+        log_k 8.29
 
-ZnCl2               267
-        ZnCl2 = Zn+2 + 2Cl- 
-        log_k           7.030
-        delta_h -17.480 kcal
+ZnCl2 267
+        ZnCl2 = Zn+2 + 2 Cl-
+        log_k 7.03
+        delta_h -17.48 kcal
 
-Smithsonite         268
-        ZnCO3 = Zn+2 + CO3-2 
-        log_k           -10.0
+Smithsonite 268
+        ZnCO3 = Zn+2 + CO3-2
+        log_k -10
         delta_h -4.36 kcal
 
-ZnCO3:H2O           269
-        ZnCO3:H2O = Zn+2 + CO3-2 + H2O 
-        log_k           -10.260
+ZnCO3:H2O 269
+        ZnCO3:H2O = Zn+2 + CO3-2 + H2O
+        log_k -10.26
 
-ZnF2                270
-        ZnF2 = Zn+2 + 2F- 
-        log_k           -1.520
-        delta_h -13.080 kcal
+ZnF2 270
+        ZnF2 = Zn+2 + 2 F-
+        log_k -1.52
+        delta_h -13.08 kcal
 
-Zn(OH)2-a          271
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           12.450
+Zn(OH)2-a 271
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.45
 
-Zn(OH)2-c          272
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           12.2
+Zn(OH)2-c 272
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.2
 
-Zn(OH)2-b          273
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.750
+Zn(OH)2-b 273
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.75
 
-Zn(OH)2-g          274
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.710
+Zn(OH)2-g 274
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.71
 
-Zn(OH)2-e          275
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.5
+Zn(OH)2-e 275
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.5
 
-Zn2(OH)3Cl          276
-        Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- 
-        log_k           15.2
+Zn2(OH)3Cl 276
+        Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
+        log_k 15.2
 
-Zn5(OH)8Cl2         277
-        Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- 
-        log_k           38.5
+Zn5(OH)8Cl2 277
+        Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
+        log_k 38.5
 
-Zn2(OH)2SO4         278
-        Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 
-        log_k           7.5
+Zn2(OH)2SO4 278
+        Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
+        log_k 7.5
 
-Zn4(OH)6SO4         279
-        Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 
-        log_k           28.4
+Zn4(OH)6SO4 279
+        Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
+        log_k 28.4
 
-Zn(NO3)2:6H2O       280
-        Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O 
-        log_k           3.440
-        delta_h 5.510 kcal
+Zn(NO3)2:6H2O 280
+        Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+        log_k 3.44
+        delta_h 5.51 kcal
 
-ZnO(a)              281
-        ZnO + 2H+ = Zn+2 + H2O 
-        log_k           11.310
+ZnO(a) 281
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.31
 
-Zincite(c)          282
-        ZnO + 2H+ = Zn+2 + H2O 
-        log_k           11.140
-        delta_h -21.860 kcal
+Zincite(c) 282
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.14
+        delta_h -21.86 kcal
 
-Zn3O(SO4)2          283
-        ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O 
-        log_k           19.020
-        delta_h -62.0 kcal
+Zn3O(SO4)2 283
+        ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
+        log_k 19.02
+        delta_h -62 kcal
 
-Zn3(PO4)2:4w        284
-        Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O 
-        log_k           -32.040
+Zn3(PO4)2:4w 284
+        Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
+        log_k -32.04
 
-ZnS(a)              285
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -9.052
-        delta_h 3.670 kcal
+ZnS(a) 285
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.052
+        delta_h 3.67 kcal
 
-Sphalerite          286
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -11.618
+Sphalerite 286
+        ZnS + H+ = Zn+2 + HS-
+        log_k -11.618
         delta_h 8.25 kcal
 
-Wurtzite            287
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -9.682
-        delta_h 5.060 kcal
+Wurtzite 287
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.682
+        delta_h 5.06 kcal
 
-ZnSiO3              288
-        ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 
-        log_k           2.930
-        delta_h -18.270 kcal
+ZnSiO3 288
+        ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4
+        log_k 2.93
+        delta_h -18.27 kcal
 
-Willemite           289
-        Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 
-        log_k           15.33
+Willemite 289
+        Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+        log_k 15.33
         delta_h -33.37 kcal
 
-Zincosite           290
-        ZnSO4 = Zn+2 + SO4-2 
-        log_k           3.010
+Zincosite 290
+        ZnSO4 = Zn+2 + SO4-2
+        log_k 3.01
         delta_h -19.2 kcal
 
-ZnSO4:H2O           291
-        ZnSO4:H2O = Zn+2 + SO4-2 + H2O 
-        log_k           -0.570
-        delta_h -10.640 kcal
+ZnSO4:H2O 291
+        ZnSO4:H2O = Zn+2 + SO4-2 + H2O
+        log_k -0.57
+        delta_h -10.64 kcal
 
-Bianchite           292
-        ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O 
-        log_k           -1.765
-        delta_h -0.160 kcal
+Bianchite 292
+        ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
+        log_k -1.765
+        delta_h -0.16 kcal
 
-Goslarite           293
-        ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O 
-        log_k           -1.960
+Goslarite 293
+        ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
+        log_k -1.96
         delta_h 3.3 kcal
 
-CdMetal             312
-        Cd = Cd+2 + 2e- 
-        log_k           13.490
-        delta_h -18.0 kcal
+CdMetal 312
+        Cd = Cd+2 + 2 e-
+        log_k 13.49
+        delta_h -18 kcal
 
-Cd(gamma)           313
-        Cd = Cd+2 + 2e- 
-        log_k           13.590
-        delta_h -18.140 kcal
+Cd(gamma) 313
+        Cd = Cd+2 + 2 e-
+        log_k 13.59
+        delta_h -18.14 kcal
 
-Cd(BO2)2            314
-        Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 
-        log_k           9.840
+Cd(BO2)2 314
+        Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
+        log_k 9.84
 
-Otavite             315
-        CdCO3 = Cd+2 + CO3-2 
-        log_k           -12.1
+Otavite 315
+        CdCO3 = Cd+2 + CO3-2
+        log_k -12.1
         delta_h -0.019 kcal
 
-CdCl2               316
-        CdCl2 = Cd+2 + 2Cl- 
-        log_k           -0.68
+CdCl2 316
+        CdCl2 = Cd+2 + 2 Cl-
+        log_k -0.68
         delta_h -4.47 kcal
 
-CdCl2:H2O           317
-        CdCl2:H2O = Cd+2 + 2Cl- + H2O 
-        log_k           -1.71
+CdCl2:H2O 317
+        CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+        log_k -1.71
         delta_h -1.82 kcal
 
-CdCl2:2.5H2O        318
-        CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O 
-        log_k           -1.940
-        delta_h 1.710 kcal
+CdCl2:2.5H2O 318
+        CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+        log_k -1.94
+        delta_h 1.71 kcal
 
-CdF2                319
-        CdF2 = Cd+2 + 2F- 
-        log_k           -2.980
-        delta_h -9.720 kcal
+CdF2 319
+        CdF2 = Cd+2 + 2 F-
+        log_k -2.98
+        delta_h -9.72 kcal
 
-Cd(OH)2(a)          320
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O 
-        log_k           13.730
-        delta_h -20.770 kcal
+Cd(OH)2(a) 320
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.73
+        delta_h -20.77 kcal
 
-Cd(OH)2             321
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O 
-        log_k           13.65
+Cd(OH)2 321
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.65
 
-CdOHCl              322
-        CdOHCl + H+ = Cd+2 + H2O + Cl- 
-        log_k           3.520
+CdOHCl 322
+        CdOHCl + H+ = Cd+2 + H2O + Cl-
+        log_k 3.52
         delta_h -7.407 kcal
 
-Cd3(OH)4SO4         323
-        Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 
-        log_k           22.560
+Cd3(OH)4SO4 323
+        Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
+        log_k 22.56
 
-Cd3(OH)2(SO4)2      324
-        Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 
-        log_k           6.710
+Cd3(OH)2(SO4)2 324
+        Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
+        log_k 6.71
 
-Cd4(OH)6SO4         325
-        Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 
-        log_k           28.4
+Cd4(OH)6SO4 325
+        Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
+        log_k 28.4
 
-Monteponite         326
-        CdO + 2H+ = Cd+2 + H2O 
-        log_k           13.770
-        delta_h -24.760 kcal
+Monteponite 326
+        CdO + 2 H+ = Cd+2 + H2O
+        log_k 13.77
+        delta_h -24.76 kcal
 
-Cd3(PO4)2           327
-        Cd3(PO4)2 = 3Cd+2 + 2PO4-3 
-        log_k           -32.6
+Cd3(PO4)2 327
+        Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
+        log_k -32.6
 
-CdSiO3              328
-        CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 
-        log_k           9.06
+CdSiO3 328
+        CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+        log_k 9.06
         delta_h -16.63 kcal
 
-CdSO4               329
-        CdSO4 = Cd+2 + SO4-2 
-        log_k           -0.1
+CdSO4 329
+        CdSO4 = Cd+2 + SO4-2
+        log_k -0.1
         delta_h -14.74 kcal
 
-CdSO4:H2O           330
-        CdSO4:H2O = Cd+2 + SO4-2 + H2O 
-        log_k           -1.657
-        delta_h -7.520 kcal
+CdSO4:H2O 330
+        CdSO4:H2O = Cd+2 + SO4-2 + H2O
+        log_k -1.657
+        delta_h -7.52 kcal
 
-CdSO4:2.7H2O        331
-        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O 
-        log_k           -1.873
+CdSO4:2.7H2O 331
+        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+        log_k -1.873
         delta_h -4.3 kcal
 
-Greenockite         332
-        CdS + H+ = Cd+2 + HS- 
-        log_k           -15.930
-        delta_h 16.360 kcal
+Greenockite 332
+        CdS + H+ = Cd+2 + HS-
+        log_k -15.93
+        delta_h 16.36 kcal
 
-JarositeH           337
-        (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O 
-        log_k           -5.390
-        delta_h -55.150 kcal
+JarositeH 337
+        (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
+        log_k -5.39
+        delta_h -55.15 kcal
 
-AlumK               338
-        KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O 
-        log_k           -5.170
-        delta_h 7.220 kcal
+AlumK 338
+        KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+        log_k -5.17
+        delta_h 7.22 kcal
 
-Melanterite         339
-        FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O 
-        log_k           -2.209
+Melanterite 339
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+        log_k -2.209
         delta_h 4.91 kcal
-        -analytical     1.447   -0.004153       0.0     0.0     -214949.0
+        -analytical 1.447 -0.004153 0 0 -214949
 
-Epsomite            340
-        MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O 
-        log_k           -2.140
-        delta_h 2.820 kcal
+Epsomite 340
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+        log_k -2.14
+        delta_h 2.82 kcal
 
-PbMetal             360
-        Pb = Pb+2 + 2e- 
-        log_k           4.270
+PbMetal 360
+        Pb = Pb+2 + 2 e-
+        log_k 4.27
         delta_h 0.4 kcal
 
-Pb(BO2)2            361
-        Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 
-        log_k           7.610
+Pb(BO2)2 361
+        Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
+        log_k 7.61
         delta_h -5.8 kcal
 
-Cotunnite           362
-        PbCl2 = Pb+2 + 2Cl- 
-        log_k           -4.770
+Cotunnite 362
+        PbCl2 = Pb+2 + 2 Cl-
+        log_k -4.77
         delta_h 5.6 kcal
 
-Matlockite          363
-        PbClF = Pb+2 + Cl- + F- 
-        log_k           -9.430
-        delta_h 7.950 kcal
+Matlockite 363
+        PbClF = Pb+2 + Cl- + F-
+        log_k -9.43
+        delta_h 7.95 kcal
 
-Phosgenite          364
-        PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 
-        log_k           -19.810
+Phosgenite 364
+        PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
+        log_k -19.81
 
-Cerrusite           365
-        PbCO3 = Pb+2 + CO3-2 
-        log_k           -13.13
+Cerrusite 365
+        PbCO3 = Pb+2 + CO3-2
+        log_k -13.13
         delta_h 4.86 kcal
 
-PbF2                366
-        PbF2 = Pb+2 + 2F- 
-        log_k           -7.440
+PbF2 366
+        PbF2 = Pb+2 + 2 F-
+        log_k -7.44
         delta_h -0.7 kcal
 
-Massicot            367
-        PbO + 2H+ = Pb+2 + H2O 
-        log_k           12.910
-        delta_h -16.780 kcal
+Massicot 367
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.91
+        delta_h -16.78 kcal
 
-Litharge            368
-        PbO + 2H+ = Pb+2 + H2O 
-        log_k           12.720
-        delta_h -16.380 kcal
+Litharge 368
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.72
+        delta_h -16.38 kcal
 
-PbO:0.3H2O          369
-        PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O 
-        log_k           12.980
+PbO:0.3H2O 369
+        PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
+        log_k 12.98
 
-Pb2OCO3             370
-        PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O 
-        log_k           -0.5
-        delta_h -11.460 kcal
+Pb2OCO3 370
+        PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O
+        log_k -0.5
+        delta_h -11.46 kcal
 
-Larnakite           371
-        PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O 
-        log_k           -0.280
-        delta_h -6.440 kcal
+Larnakite 371
+        PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
+        log_k -0.28
+        delta_h -6.44 kcal
 
-Pb3O2SO4            372
-        PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O 
-        log_k           10.4
-        delta_h -20.750 kcal
+Pb3O2SO4 372
+        PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
+        log_k 10.4
+        delta_h -20.75 kcal
 
-Pb4O3SO4            373
-        PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O 
-        log_k           22.1
-        delta_h -35.070 kcal
+Pb4O3SO4 373
+        PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
+        log_k 22.1
+        delta_h -35.07 kcal
 
-PbHPO4              374
-        PbHPO4 = Pb+2 + HPO4-2 
-        log_k           -11.460
-        delta_h 7.040 kcal
+PbHPO4 374
+        PbHPO4 = Pb+2 + HPO4-2
+        log_k -11.46
+        delta_h 7.04 kcal
 
-Pb3(PO4)2           375
-        Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 
-        log_k           -19.670
-        delta_h -1.670 kcal
+Pb3(PO4)2 375
+        Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2
+        log_k -19.67
+        delta_h -1.67 kcal
 
-Clpyromorphite      376
-        Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- 
-        log_k           -84.430
+Clpyromorphite 376
+        Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
+        log_k -84.43
 
-Hxypyromorphite     377
-        Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O 
-        log_k           -62.790
+Hxypyromorphite 377
+        Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
+        log_k -62.79
 
-Pb3O2CO3            378
-        PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O 
-        log_k           11.020
-        delta_h -26.430 kcal
+Pb3O2CO3 378
+        PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
+        log_k 11.02
+        delta_h -26.43 kcal
 
-Plumbogummite       379
-        PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O 
-        log_k           -32.790
+Plumbogummite 379
+        PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
+        log_k -32.79
 
-Hinsdalite          380
-        PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O 
-        log_k           -2.5
+Hinsdalite 380
+        PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
+        log_k -2.5
 
-Tsumebite           381
-        Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O 
-        log_k           -9.790
+Tsumebite 381
+        Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
+        log_k -9.79
 
-PbSiO3              382
-        PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 
-        log_k           7.320
-        delta_h -9.260 kcal
+PbSiO3 382
+        PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4
+        log_k 7.32
+        delta_h -9.26 kcal
 
-Pb2SiO4             383
-        Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 
-        log_k           19.760
-        delta_h -26.0 kcal
+Pb2SiO4 383
+        Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4
+        log_k 19.76
+        delta_h -26 kcal
 
-Anglesite           384
-        PbSO4 = Pb+2 + SO4-2 
-        log_k           -7.79
+Anglesite 384
+        PbSO4 = Pb+2 + SO4-2
+        log_k -7.79
         delta_h 2.15 kcal
 
-Galena              385
-        PbS + H+ = Pb+2 + HS- 
-        log_k           -12.780
+Galena 385
+        PbS + H+ = Pb+2 + HS-
+        log_k -12.78
         delta_h 19.4 kcal
 
-Plattnerite         386
-        PbO2 + 4H+ + 2e- = Pb+2 + 2H2O 
-        log_k           49.3
-        delta_h -70.730 kcal
+Plattnerite 386
+        PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
+        log_k 49.3
+        delta_h -70.73 kcal
 
-Pb2O3               387
-        Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O 
-        log_k           61.040
+Pb2O3 387
+        Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
+        log_k 61.04
 
-Minium              388
-        Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O 
-        log_k           73.690
-        delta_h -102.760 kcal
+Minium 388
+        Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
+        log_k 73.69
+        delta_h -102.76 kcal
 
-Pb(OH)2             389
-        Pb(OH)2 + 2H+ = Pb+2 + 2H2O 
-        log_k           8.15
+Pb(OH)2 389
+        Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+        log_k 8.15
         delta_h -13.99 kcal
 
-Laurionite          390
-        PbOHCl + H+ = Pb+2 + Cl- + H2O 
-        log_k           0.623
+Laurionite 390
+        PbOHCl + H+ = Pb+2 + Cl- + H2O
+        log_k 0.623
 
-Pb2(OH)3Cl          391
-        Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- 
-        log_k           8.793
+Pb2(OH)3Cl 391
+        Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
+        log_k 8.793
 
-Hydrocerrusite      392
-        Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O 
-        log_k           -17.460
+Hydrocerrusite 392
+        Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O
+        log_k -17.46
 
-Pb2O(OH)2           393
-        PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O 
-        log_k           26.2
+Pb2O(OH)2 393
+        PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
+        log_k 26.2
 
-Pb4(OH)6SO4         394
-        Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O 
-        log_k           21.1
+Pb4(OH)6SO4 394
+        Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
+        log_k 21.1
 
-SiO2(a)             395
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -2.71
+SiO2(a) 395
+        SiO2 + 2 H2O = H4SiO4
+        log_k -2.71
         delta_h 3.34 kcal
-        -analytical     -0.26   0.0     -731.0  0.0     0.0
+        -analytical -0.26 0 -731 0 0
 
-FCO3Apatite         396
-        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-        log_k           -114.4
-        delta_h 39.390 kcal
+FCO3Apatite 396
+        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
+        log_k -114.4
+        delta_h 39.39 kcal
 
-BaF2                398
-        BaF2 = Ba+2 + 2F- 
-        log_k           -5.760
-        delta_h 1.0 kcal
+BaF2 398
+        BaF2 = Ba+2 + 2 F-
+        log_k -5.76
+        delta_h 1 kcal
 
-SrF2                399
-        SrF2 = Sr+2 + 2F- 
-        log_k           -8.540
-        delta_h 1.250 kcal
+SrF2 399
+        SrF2 = Sr+2 + 2 F-
+        log_k -8.54
+        delta_h 1.25 kcal
 
-Dolomite            401
-        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 
-        log_k           -17.09
+Dolomite 401
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -17.09
         delta_h -9.436 kcal
 
-Sulfur              402
-        S + 2e- = S-2 
-        log_k           -15.026
+Sulfur 402
+        S + 2 e- = S-2
+        log_k -15.026
         delta_h 7.9 kcal
 
-NiCO3               410
-        NiCO3 = Ni+2 + CO3-2 
-        log_k           -6.840
-        delta_h -9.940 kcal
+NiCO3 410
+        NiCO3 = Ni+2 + CO3-2
+        log_k -6.84
+        delta_h -9.94 kcal
 
-Ni(OH)2             411
-        Ni(OH)2 + 2H+ = Ni+2 + 2H2O 
-        log_k           10.8
-        delta_h 30.450 kcal
+Ni(OH)2 411
+        Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+        log_k 10.8
+        delta_h 30.45 kcal
 
-Ni4(OH)6SO4         412
-        Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O 
-        log_k           32.0
+Ni4(OH)6SO4 412
+        Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
+        log_k 32
 
-Bunsenite           413
-        NiO + 2H+ = Ni+2 + H2O 
-        log_k           12.450
-        delta_h -23.920 kcal
+Bunsenite 413
+        NiO + 2 H+ = Ni+2 + H2O
+        log_k 12.45
+        delta_h -23.92 kcal
 
-Ni3(PO4)2           414
-        Ni3(PO4)2 = 3Ni+2 + 2PO4-3 
-        log_k           -31.3
+Ni3(PO4)2 414
+        Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
+        log_k -31.3
 
-Millerite           415
-        NiS + H+ = Ni+2 + HS- 
-        log_k           -8.042
+Millerite 415
+        NiS + H+ = Ni+2 + HS-
+        log_k -8.042
         delta_h 2.5 kcal
 
-Retgersite          416
-        NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O 
-        log_k           -2.040
+Retgersite 416
+        NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+        log_k -2.04
         delta_h 1.1 kcal
 
-Morenosite          417
-        NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O 
-        log_k           -2.360
-        delta_h 2.940 kcal
+Morenosite 417
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+        log_k -2.36
+        delta_h 2.94 kcal
 
-Ni2SiO4             418
-        Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 
-        log_k           14.540
-        delta_h -33.360 kcal
+Ni2SiO4 418
+        Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4
+        log_k 14.54
+        delta_h -33.36 kcal
 
-Fe3(OH)8            419
-        Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O 
-        log_k           20.222
+Fe3(OH)8 419
+        Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
+        log_k 20.222
 
-Dioptase            420
-        CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 
-        log_k           6.5
-        delta_h -8.960 kcal
+Dioptase 420
+        CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4
+        log_k 6.5
+        delta_h -8.96 kcal
 
-AgMetal             437
-        Ag = Ag+ + e- 
-        log_k           -13.510
+AgMetal 437
+        Ag = Ag+ + e-
+        log_k -13.51
         delta_h 25.234 kcal
 
-Bromyrite           438
-        AgBr = Ag+ + Br- 
-        log_k           -12.270
-        delta_h 20.170 kcal
+Bromyrite 438
+        AgBr = Ag+ + Br-
+        log_k -12.27
+        delta_h 20.17 kcal
 
-Cerargyrite         439
-        AgCl = Ag+ + Cl- 
-        log_k           -9.750
+Cerargyrite 439
+        AgCl = Ag+ + Cl-
+        log_k -9.75
         delta_h 15.652 kcal
 
-Ag2CO3              440
-        Ag2CO3 = 2Ag+ + CO3-2 
-        log_k           -11.070
-        delta_h 9.530 kcal
+Ag2CO3 440
+        Ag2CO3 = 2 Ag+ + CO3-2
+        log_k -11.07
+        delta_h 9.53 kcal
 
-AgF:4H2O            441
-        AgF:4H2O = Ag+ + F- + 4H2O 
-        log_k           0.550
-        delta_h 4.270 kcal
+AgF:4H2O 441
+        AgF:4H2O = Ag+ + F- + 4 H2O
+        log_k 0.55
+        delta_h 4.27 kcal
 
-Iodyrite            442
-        AgI = Ag+ + I- 
-        log_k           -16.070
-        delta_h 26.820 kcal
+Iodyrite 442
+        AgI = Ag+ + I-
+        log_k -16.07
+        delta_h 26.82 kcal
 
-Ag2O                443
-        Ag2O + 2H+ = 2Ag+ + H2O 
-        log_k           12.580
-        delta_h -10.430 kcal
+Ag2O 443
+        Ag2O + 2 H+ = 2 Ag+ + H2O
+        log_k 12.58
+        delta_h -10.43 kcal
 
-Ag3PO4              444
-        Ag3PO4 = 3Ag+ + PO4-3 
-        log_k           -17.550
+Ag3PO4 444
+        Ag3PO4 = 3 Ag+ + PO4-3
+        log_k -17.55
 
-Acanthite           445
-        Ag2S + H+ = 2Ag+ + HS- 
-        log_k           -36.050
+Acanthite 445
+        Ag2S + H+ = 2 Ag+ + HS-
+        log_k -36.05
         delta_h 53.3 kcal
 
-Ag2SO4              446
-        Ag2SO4 = 2Ag+ + SO4-2 
-        log_k           -4.920
-        delta_h 4.250 kcal
+Ag2SO4 446
+        Ag2SO4 = 2 Ag+ + SO4-2
+        log_k -4.92
+        delta_h 4.25 kcal
 
-CuBr                459
-        CuBr = Cu+ + Br- 
-        log_k           -8.210
-        delta_h 13.080 kcal
+CuBr 459
+        CuBr = Cu+ + Br-
+        log_k -8.21
+        delta_h 13.08 kcal
 
-CuI                 460
-        CuI = Cu+ + I- 
-        log_k           -11.890
-        delta_h 20.140 kcal
+CuI 460
+        CuI = Cu+ + I-
+        log_k -11.89
+        delta_h 20.14 kcal
 
-ZnBr2:2H2O          461
-        ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O 
-        log_k           5.210
-        delta_h -7.510 kcal
+ZnBr2:2H2O 461
+        ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+        log_k 5.21
+        delta_h -7.51 kcal
 
-ZnI2                462
-        ZnI2 = Zn+2 + 2I- 
-        log_k           7.230
-        delta_h -13.440 kcal
+ZnI2 462
+        ZnI2 = Zn+2 + 2 I-
+        log_k 7.23
+        delta_h -13.44 kcal
 
-CdBr2:4H2O          463
-        CdBr2:4H2O = Cd+2 + 2Br- + 4H2O 
-        log_k           -2.420
-        delta_h 7.230 kcal
+CdBr2:4H2O 463
+        CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+        log_k -2.42
+        delta_h 7.23 kcal
 
-CdI2                464
-        CdI2 = Cd+2 + 2I- 
-        log_k           -3.610
-        delta_h 4.080 kcal
+CdI2 464
+        CdI2 = Cd+2 + 2 I-
+        log_k -3.61
+        delta_h 4.08 kcal
 
-PbBr2               465
-        PbBr2 = Pb+2 + 2Br- 
-        log_k           -5.180
+PbBr2 465
+        PbBr2 = Pb+2 + 2 Br-
+        log_k -5.18
         delta_h 8.1 kcal
 
-PbBrF               466
-        PbBrF = Pb+2 + Br- + F- 
-        log_k           -8.490
+PbBrF 466
+        PbBrF = Pb+2 + Br- + F-
+        log_k -8.49
 
-PbI2                467
-        PbI2 = Pb+2 + 2I- 
-        log_k           -8.070
-        delta_h 15.160 kcal
+PbI2 467
+        PbI2 = Pb+2 + 2 I-
+        log_k -8.07
+        delta_h 15.16 kcal
 
-Jurbanite           471
-        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O 
-        log_k           -3.230
+Jurbanite 471
+        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
+        log_k -3.23
 
-Basaluminite		472
-        Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O 
-        log_k           22.7
+Basaluminite 472
+        Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
+        log_k 22.7
 
-As_native		557
-        As + 3H2O = H3AsO3 + 3H+ + 3e- 
-	log_k		-12.532
-	delta_h		115.131 kJ
+As_native 557
+        As + 3 H2O = H3AsO3 + 3 H+ + 3 e-
+	log_k -12.532
+	delta_h 115.131 kJ
 
-As2O5(cr)             488
-        As2O5 + 3H2O = 2H3AsO4 
-        log_k           8.228
-        delta_h 	-31.619 kJ
+As2O5(cr) 488
+        As2O5 + 3 H2O = 2 H3AsO4
+        log_k 8.228
+        delta_h -31.619 kJ
 
-AlAsO4:2H2O         489
-        AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O 
-        log_k           -15.837
+AlAsO4:2H2O 489
+        AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O
+        log_k -15.837
 
-Ca3(AsO4)2:4w       490
-        Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O 
-        log_k           -18.905
+Ca3(AsO4)2:4w 490
+        Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O
+        log_k -18.905
 
-Cu3(AsO4)2:6w       491
-        Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O 
-        log_k           -35.123
+Cu3(AsO4)2:6w 491
+        Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O
+        log_k -35.123
 
-Scorodite           492
-        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O 
-        log_k           -20.249
+Scorodite 492
+        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O
+        log_k -20.249
 
-Mn3(AsO4)2:8H2O      493
-        Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O 
-        log_k           -28.707
+Mn3(AsO4)2:8H2O 493
+        Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O
+        log_k -28.707
 
-Ni3(AsO4)2:8H2O     494
-        Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O 
-        log_k           -25.511
+Ni3(AsO4)2:8H2O 494
+        Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O
+        log_k -25.511
 
-Pb3(AsO4)2          495
-        Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 
-        log_k           -35.403
+Pb3(AsO4)2 495
+        Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3
+        log_k -35.403
 
-Zn3(AsO4)2:2.5w     496
-        Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O 
-        log_k           -27.546
+Zn3(AsO4)2:2.5w 496
+        Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O
+        log_k -27.546
 
-Arsenolite          497
-#        As4O6 + 6H2O = 4H3AsO3 
+Arsenolite 497
+#        As4O6 + 6H2O = 4H3AsO3
 #        log_k           -2.801
 #        delta_h 14.330 kcal
-	As2O3 + 3H2O = 2H3AsO3	
-	log_k	-1.38	
-	delta_h	30.041 kJ
+	As2O3 + 3 H2O = 2 H3AsO3	
+	log_k -1.38
+	delta_h 30.041 kJ
 
-Claudetite          498
-#        As4O6 + 6H2O = 4H3AsO3 
+Claudetite 498
+#        As4O6 + 6H2O = 4H3AsO3
 #        log_k           -3.065
 #        delta_h 13.290 kcal
-	As2O3 + 3H2O = 2H3AsO3
-	log_k	-1.34	
-	delta_h	28.443 kJ
+	As2O3 + 3 H2O = 2 H3AsO3
+	log_k -1.34
+	delta_h 28.443 kJ
 
-AsI3                499
-        AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ 
-        log_k           4.155
+AsI3 499
+        AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
+        log_k 4.155
         delta_h 1.875 kcal
 
-Orpiment            500
-        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ 
+Orpiment 500
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
 #        log_k           -60.971
 #        delta_h 82.890 kcal
-	log_k	-46.3	
-	delta_h	263.1 kJ
+	log_k -46.3
+	delta_h 263.1 kJ
 
-As2S3(am)		132
-        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ 
-	log_k	-44.9
-	delta_h	244.2 kJ
+As2S3(am) 132
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+	log_k -44.9
+	delta_h 244.2 kJ
 
-Realgar             501
-        AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- 
+Realgar 501
+        AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
 #        log_k           -19.747
 #        delta_h 30.545 kcal
-	log_k	-19.944	
-	delta_h	129.2625 kJ
+	log_k -19.944
+	delta_h 129.2625 kJ
 
-BlaubleiI           533
-        Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- 
-        log_k           -24.162
+BlaubleiI 533
+        Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
+        log_k -24.162
 
-BlaubleiII          534
-        Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- 
-        log_k           -27.279
+BlaubleiII 534
+        Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
+        log_k -27.279
 
-Anilite             535
-        Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- 
-        log_k           -31.878
+Anilite 535
+        Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
+        log_k -31.878
         delta_h 43.535 kcal
 
-Djurleite           536
-        Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- 
-        log_k           -33.920
+Djurleite 536
+        Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
+        log_k -33.92
         delta_h 47.881 kcal
 
-Portlandite         539
-        Ca(OH)2 + 2H+ = Ca+2 + 2H2O 
-        log_k           22.8
-        delta_h -31.0 kcal
+Portlandite 539
+        Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+        log_k 22.8
+        delta_h -31 kcal
 
-Ba3(AsO4)2          541
-        Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 
-        log_k           -50.110
+Ba3(AsO4)2 541
+        Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3
+        log_k -50.11
         delta_h 9.5 kcal
 
-Se(s)               550
-        Se + H+ + 2e- = HSe- 
-        log_k           -17.322
+Se(s) 550
+        Se + H+ + 2 e- = HSe-
+        log_k -17.322
 
 #SemetalSe4          551
-#       Se + 3H2O = SeO3-2 + 6H+ + 4e- 
+#       Se + 3H2O = SeO3-2 + 6H+ + 4e-
 #       log_k           -59.836
 
-FeSe2               552
-        FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- 
-        log_k           -18.580
+FeSe2 552
+        FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe-
+        log_k -18.58
 
-SeO2                553
-        SeO2 + H2O = SeO3-2 + 2H+ 
-        log_k           -8.380
+SeO2 553
+        SeO2 + H2O = SeO3-2 + 2 H+
+        log_k -8.38
 
-CaSeO3              554
-        CaSeO3 = Ca+2 + SeO3-2 
-        log_k           -5.6
+CaSeO3 554
+        CaSeO3 = Ca+2 + SeO3-2
+        log_k -5.6
 
-BaSeO3              555
-        BaSeO3 = Ba+2 + SeO3-2 
-        log_k           -6.390
+BaSeO3 555
+        BaSeO3 = Ba+2 + SeO3-2
+        log_k -6.39
 
-Fe2(SeO3)3          556
-        Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 
-        log_k           -35.430
+Fe2(SeO3)3 556
+        Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2
+        log_k -35.43
 
-Rhodochrosite       564
-        MnCO3 = Mn+2 + CO3-2 
-        log_k           -11.13
+Rhodochrosite 564
+        MnCO3 = Mn+2 + CO3-2
+        log_k -11.13
         delta_h -1.43 kcal
 
-Na4UO2(CO3)3        571
-        Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 
-        log_k           -16.290
+Na4UO2(CO3)3 571
+        Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2
+        log_k -16.29
 
-Uraninite(c)        573
-        UO2 + 4H+ = U+4 + 2H2O 
-        log_k           -4.8
-        delta_h -18.610 kcal
+Uraninite(c) 573
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k -4.8
+        delta_h -18.61 kcal
 
-UO2(a)              574
-        UO2 + 4H+ = U+4 + 2H2O 
-        log_k           0.1
+UO2(a) 574
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k 0.1
 
-U4O9(c)             575
-        U4O9 + 18H+ + 2e- = 4U+4 + 9H2O 
-        log_k           -3.384
+U4O9(c) 575
+        U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
+        log_k -3.384
         delta_h -101.235 kcal
 
-U3O8(c)             576
-        U3O8 + 16H+ + 4e- = 3U+4 + 8H2O 
-        log_k           20.530
-        delta_h -116.0 kcal
+U3O8(c) 576
+        U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
+        log_k 20.53
+        delta_h -116 kcal
 
-Coffinite           577
-        USiO4 + 4H+ = U+4 + H4SiO4 
-        log_k           -7.670
+Coffinite 577
+        USiO4 + 4 H+ = U+4 + H4SiO4
+        log_k -7.67
         delta_h -11.6 kcal
 
-UF4(c)              584
-        UF4 = U+4 + 4F- 
-        log_k           -18.606
+UF4(c) 584
+        UF4 = U+4 + 4 F-
+        log_k -18.606
         delta_h -18.9 kcal
 
-UF4:2.5H2O          585
-        UF4:2.5H2O = U+4 + 4F- + 2.5H2O 
-        log_k           -27.570
+UF4:2.5H2O 585
+        UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
+        log_k -27.57
         delta_h -0.588 kcal
 
-U(OH)2SO4           591
-        U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O 
-        log_k           -3.2
+U(OH)2SO4 591
+        U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O
+        log_k -3.2
 
-UO2HPO4:4H2O        592
-        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O 
-        log_k           -11.850
+UO2HPO4:4H2O 592
+        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O
+        log_k -11.85
 
-U(HPO4)2:4H2O       593
-        U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O 
-        log_k           -55.3
-        delta_h 3.840 kcal
+U(HPO4)2:4H2O 593
+        U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O
+        log_k -55.3
+        delta_h 3.84 kcal
 
-Ningyoite           594
-        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O 
-        log_k           -53.906
-        delta_h -2.270 kcal
+Ningyoite 594
+        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
+        log_k -53.906
+        delta_h -2.27 kcal
 
-UO3(gamma)              599
-        UO3 + 2H+ = UO2+2 + H2O 
-        log_k           7.719
+UO3(gamma) 599
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 7.719
         delta_h -19.315 kcal
 
-Gummite             600
-        UO3 + 2H+ = UO2+2 + H2O 
-        log_k           10.403
+Gummite 600
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 10.403
         delta_h -23.015 kcal
 
-B-UO2(OH)2          601
-        UO2(OH)2 + 2H+ = UO2+2 + 2H2O 
-        log_k           5.544
-        delta_h -13.730 kcal
+B-UO2(OH)2 601
+        UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+        log_k 5.544
+        delta_h -13.73 kcal
 
-Schoepite           602
-        UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O 
-        log_k           5.404
+Schoepite 602
+        UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 5.404
         delta_h -12.045 kcal
 
-Rutherfordine       606
-        UO2CO3 = UO2+2 + CO3-2 
-        log_k           -14.450
-        delta_h -1.440 kcal
+Rutherfordine 606
+        UO2CO3 = UO2+2 + CO3-2
+        log_k -14.45
+        delta_h -1.44 kcal
 
-(UO2)3(PO4)2:4w     619
-        (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O 
-        log_k           -37.4
+(UO2)3(PO4)2:4w 619
+        (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O
+        log_k -37.4
         delta_h 41.5 kcal
 
-H-Autunite          620
-        H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 
-        log_k           -47.931
+H-Autunite 620
+        H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.931
         delta_h -3.6 kcal
 
-Na-Autunite         621
-        Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 
-        log_k           -47.409
-        delta_h -0.460 kcal
+Na-Autunite 621
+        Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.409
+        delta_h -0.46 kcal
 
-K-Autunite          622
-        K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 
-        log_k           -48.244
-        delta_h 5.860 kcal
+K-Autunite 622
+        K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3
+        log_k -48.244
+        delta_h 5.86 kcal
 
-Uramphite           623
-        (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 
-        log_k           -51.749
+Uramphite 623
+        (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3
+        log_k -51.749
         delta_h 9.7 kcal
 
-Saleeite            624
-        Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 
-        log_k           -43.646
-        delta_h -20.180 kcal
+Saleeite 624
+        Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.646
+        delta_h -20.18 kcal
 
-Autunite            625
-        Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 
-        log_k           -43.927
-        delta_h -14.340 kcal
+Autunite 625
+        Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.927
+        delta_h -14.34 kcal
 
-Sr-Autunite         626
-        Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.457
-        delta_h -13.050 kcal
+Sr-Autunite 626
+        Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.457
+        delta_h -13.05 kcal
 
-Uranocircite        627
-        Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.631
+Uranocircite 627
+        Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.631
         delta_h -10.1 kcal
 
-Bassetite           628
-        Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.485
+Bassetite 628
+        Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.485
         delta_h -19.9 kcal
 
-Torbernite          629
-        Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 
-        log_k           -45.279
+Torbernite 629
+        Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3
+        log_k -45.279
         delta_h -15.9 kcal
 
-Przhevalskite       630
-        Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.365
-        delta_h -11.0 kcal
+Przhevalskite 630
+        Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.365
+        delta_h -11 kcal
 
-Uranophane          632
-        Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 
-        log_k           17.489
+Uranophane 632
+        Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4
+        log_k 17.489
 
-CO2(g)    
-        CO2 = CO2                                                                   
-        log_k           -1.468
+CO2(g)
+        CO2 = CO2
+        log_k -1.468
         delta_h -4.776 kcal
-        -analytical     108.3865      0.01985076   -6919.53      -40.45154      669365.0
+        -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365
 
 O2(g)
-        O2 = O2                                                                  
+        O2 = O2
 #        log_k           -2.960
 #        delta_h -1.844 kcal
 	 # log K from llnl.dat  Aug 23, 2005
-        log_k           -2.8983
-        -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
+        log_k -2.8983
+        -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
 
 H2(g)
-        H2 = H2                                                                  
-        log_k           -3.150
+        H2 = H2
+        log_k -3.15
         delta_h -1.759 kcal
 
 N2(g)
-        N2 = N2                                                                  
-        log_k           -3.260
+        N2 = N2
+        log_k -3.26
         delta_h -1.358 kcal
 
 H2S(g)
-        H2S = H2S                                                                  
-        log_k           -0.997
-        delta_h -4.570 kcal
+        H2S = H2S
+        log_k -0.997
+        delta_h -4.57 kcal
 
 CH4(g)
-        CH4 = CH4                                                                
-        log_k           -2.860
+        CH4 = CH4
+        log_k -2.86
         delta_h -3.373 kcal
 
 NH3(g)
-        NH3 = NH3                                                                
-        log_k           1.770
-        delta_h -8.170 kcal
+        NH3 = NH3
+        log_k 1.77
+        delta_h -8.17 kcal
 
 EXCHANGE_MASTER_SPECIES
-        X       X-      
+        X X-
 
 EXCHANGE_SPECIES
         X- = X-
-        log_k           0.0
+        log_k 0
 
         Na+ + X- = NaX
-        log_k           0.0
+        log_k 0
 
         K+ + X- = KX
-        log_k           0.7
+        log_k 0.7
 
         Li+ + X- = LiX
-        log_k           -0.08
+        log_k -0.08
 
         H+ + X- = HX
-        log_k           1.0
+        log_k 1
 
         NH4+ + X- = NH4X
-        log_k           0.6
+        log_k 0.6
 
-        Ca+2 + 2X- = CaX2
-        log_k           0.8
+        Ca+2 + 2 X- = CaX2
+        log_k 0.8
 
-        Mg+2 + 2X- = MgX2
-        log_k           0.6
+        Mg+2 + 2 X- = MgX2
+        log_k 0.6
 
-        Sr+2 + 2X- = SrX2
-        log_k           0.91
+        Sr+2 + 2 X- = SrX2
+        log_k 0.91
 
-        Ba+2 + 2X- = BaX2
-        log_k           0.91
+        Ba+2 + 2 X- = BaX2
+        log_k 0.91
 
-        Mn+2 + 2X- = MnX2
-        log_k           0.52
+        Mn+2 + 2 X- = MnX2
+        log_k 0.52
 
-        Fe+2 + 2X- = FeX2
-        log_k           0.44
+        Fe+2 + 2 X- = FeX2
+        log_k 0.44
 
-        Cu+2 + 2X- = CuX2
-        log_k           0.6
+        Cu+2 + 2 X- = CuX2
+        log_k 0.6
 
-        Zn+2 + 2X- = ZnX2
-        log_k           0.8
+        Zn+2 + 2 X- = ZnX2
+        log_k 0.8
 
-        Cd+2 + 2X- = CdX2
-        log_k           0.8
+        Cd+2 + 2 X- = CdX2
+        log_k 0.8
 
-        Pb+2 + 2X- = PbX2
-        log_k           1.05
+        Pb+2 + 2 X- = PbX2
+        log_k 1.05
 
-        Al+3 + 3X- = AlX3
-        log_k           0.67
+        Al+3 + 3 X- = AlX3
+        log_k 0.67
 
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 SURFACE_SPECIES
-#   All surface data from 
+#   All surface data from
 #   Dzombak and Morel, 1990
 #
 #
 #   Acid-base data from table 5.7
 #
-#   strong binding site--Hfo_s, 
+#   strong binding site--Hfo_s,
 
         Hfo_sOH = Hfo_sOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_sOH  + H+ = Hfo_sOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_sOH + H+ = Hfo_sOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_sOH = Hfo_sO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 #   weak binding site--Hfo_w
 
         Hfo_wOH = Hfo_wOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_wOH  + H+ = Hfo_wOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_wOH + H+ = Hfo_wOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_wOH = Hfo_wO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 ###############################################
 #             CATIONS                         #
@@ -3552,64 +3556,64 @@ SURFACE_SPECIES
 #
 #   Calcium
         Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k  4.97
+        log_k 4.97
 
         Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
         log_k -5.85
 #   Strontium
         Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-        log_k  5.01
+        log_k 5.01
 
         Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
         log_k -6.58
 
-        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
-        log_k -17.60
+        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+        log_k -17.6
 #   Barium
         Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-        log_k  5.46
+        log_k 5.46
 
         Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-        log_k  -7.2                     # table 10.5
+        log_k -7.2 # table 10.5
 #
 #   Cations from table 10.2
 #
 #   Silver
         Hfo_sOH + Ag+ = Hfo_sOAg + H+
-        log_k  -1.72
+        log_k -1.72
 
         Hfo_wOH + Ag+ = Hfo_wOAg + H+
-        log_k  -5.3                     # table 10.5
+        log_k -5.3 # table 10.5
 #   Nickel
         Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
-        log_k  0.37
+        log_k 0.37
 
         Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
-        log_k  -2.5                     # table 10.5
+        log_k -2.5 # table 10.5
 #   Cadmium
         Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-        log_k  0.47
+        log_k 0.47
 
         Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-        log_k   -2.91
+        log_k -2.91
 #   Zinc
         Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-        log_k  0.99
+        log_k 0.99
 
         Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-        log_k   -1.99
+        log_k -1.99
 #   Copper
         Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-        log_k  2.89
+        log_k 2.89
 
         Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-        log_k  0.6                      # table 10.5
+        log_k 0.6 # table 10.5
 #   Lead
         Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-        log_k  4.65
+        log_k 4.65
 
         Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-        log_k  0.3                      # table 10.5
+        log_k 0.3 # table 10.5
 #
 #   Derived constants table 10.5
 #
@@ -3619,17 +3623,17 @@ SURFACE_SPECIES
 
 #   Manganese
         Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-        log_k  -0.4                     # table 10.5
+        log_k -0.4 # table 10.5
 
         Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-        log_k -3.5                      # table 10.5
+        log_k -3.5 # table 10.5
 
 #   Uranyl
         Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+
-        log_k  5.2                      # table 10.5
+        log_k 5.2 # table 10.5
 
         Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+
-        log_k  2.8                      # table 10.5
+        log_k 2.8 # table 10.5
 
 # Iron
 #        Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
@@ -3641,83 +3645,83 @@ SURFACE_SPECIES
 
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
          Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-         log_k   -0.95
+         log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
          Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
          log_k -2.98
 
-         Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
+         Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
          log_k -11.55
 
 ###############################################
 #             ANIONS                          #
 ###############################################
 #
-#   Anions from table 10.6                    
+#   Anions from table 10.6
 #
 #   Phosphate
-        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-        log_k   31.29
+        Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+        log_k 31.29
 
-        Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-        log_k   25.39
+        Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+        log_k 25.39
 
         Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-        log_k   17.72
+        log_k 17.72
 #   Arsenate
-        Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O
-        log_k   29.31
+        Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O
+        log_k 29.31
 
-        Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O
-        log_k   23.51
+        Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O
+        log_k 23.51
 
         Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3
-        log_k   10.58
+        log_k 10.58
 #
 #   Anions from table 10.7
 #
 #   Arsenite
         Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
-        log_k   5.41
+        log_k 5.41
 #   Borate
         Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-        log_k   0.62
+        log_k 0.62
 #
 #   Anions from table 10.8
 #
 #   Sulfate
         Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-        log_k   7.78
+        log_k 7.78
 
         Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
+        log_k 0.79
 #   Selenate
         Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
-        log_k   7.73
+        log_k 7.73
 
         Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
-        log_k   0.80
+        log_k 0.8
 #   Selenite
         Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O
-        log_k   12.69
+        log_k 12.69
 
         Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2
-        log_k   5.17
+        log_k 5.17
 #
 #   Derived constants table 10.10
 #
         Hfo_wOH + F- + H+ = Hfo_wF + H2O
-        log_k   8.7
+        log_k 8.7
 
         Hfo_wOH + F- = Hfo_wOHF-
-        log_k   1.6
+        log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for HFO
 # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
 #
 #        Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
 #        log_k   12.56
-# 
+#
 #        Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
 #        log_k   20.62
 
@@ -3727,7 +3731,7 @@ RATES
 #K-feldspar
 ###########
 #
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to
 # chemical weathering: Lund University Press, Lund, 246 p.
 #
 # Example of KINETICS data block for K-feldspar rate:
@@ -3742,28 +3746,28 @@ K-feldspar
    1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
    2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
    3 rem parm(2) = corrects for field rate relative to lab rate
-   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-   
-   10    dif_temp = 1/TK - 1/298
-   20    pk_H = 12.5 + 3134 * dif_temp
-   30    pk_w = 15.3 + 1838 * dif_temp
-   40    pk_OH = 14.2 + 3134 * dif_temp
-   50    pk_CO2 = 14.6 + 1677 * dif_temp
+   4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+
+   10 dif_temp = 1/TK - 1/298
+   20 pk_H = 12.5 + 3134 * dif_temp
+   30 pk_w = 15.3 + 1838 * dif_temp
+   40 pk_OH = 14.2 + 3134 * dif_temp
+   50 pk_CO2 = 14.6 + 1677 * dif_temp
    #60   pk_org = 13.9 + 1254 * dif_temp  # rate increase with DOC
-   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
-   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
+   70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
    #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
-   80    moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
+   80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
    81 rem decrease rate on precipitation
-   90    if SR("K-feldspar") > 1 then moles = moles * 0.1
-   100   save moles
+   90 if SR("K-feldspar") > 1 then moles = moles * 0.1
+   100 save moles
  -end
 
 ###########
 #Albite
 ###########
 #
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to
 # chemical weathering: Lund University Press, Lund, 246 p.
 #
 # Example of KINETICS data block for Albite rate:
@@ -3777,70 +3781,70 @@ Albite
    1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
    2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
    3 rem parm(2) = corrects for field rate relative to lab rate
-   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-   
-   10    dif_temp = 1/TK - 1/298
-   20    pk_H = 12.5 + 3359 * dif_temp
-   30    pk_w = 14.8 + 2648 * dif_temp
-   40    pk_OH = 13.7 + 3359 * dif_temp
+   4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+
+   10 dif_temp = 1/TK - 1/298
+   20 pk_H = 12.5 + 3359 * dif_temp
+   30 pk_w = 14.8 + 2648 * dif_temp
+   40 pk_OH = 13.7 + 3359 * dif_temp
    #41 rem         ^12.9 in Sverdrup, but larger than for oligoclase...
-   50    pk_CO2 = 14.0 + 1677 * dif_temp
+   50 pk_CO2 = 14 + 1677 * dif_temp
    #60   pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
-   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
-   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
+   70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
    #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
-   80    moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
+   80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
    81 rem decrease rate on precipitation
-   90    if SR("Albite") > 1 then moles = moles * 0.1
-   100   save moles
+   90 if SR("Albite") > 1 then moles = moles * 0.1
+   100 save moles
  -end
 
 ########
 #Calcite
 ########
 #
-# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, 
+# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978,
 # American Journal of Science, v. 278, p. 179-216.
 #
 # Example of KINETICS data block for calcite rate:
 #
 #       KINETICS 1
-#       Calcite 
+#       Calcite
 #               -tol    1e-8
 #               -m0     3.e-3
 #               -m      3.e-3
 #               -parms  5.0      0.6
 Calcite
   -start
-   1 REM        Modified from Plummer and others, 1978
-   2 REM        M = current moles of calcite
-   3 REM        M0 = initial moles of calcite
-   4 REM        parm(1) = Area/Volume, cm^2/L   (or cm^2 per cell)
-   5 REM        parm(2) = exponent for M/M0 for surface area correction
-   10  REM rate = 0 if no calcite and undersaturated
-   20    si_cc = SI("Calcite")
-   30    if (M <= 0  and si_cc < 0) then goto 300
-   40    k1 = 10^(0.198 - 444.0 / TK )
-   50    k2 = 10^(2.84 - 2177.0 / TK )
-   60    if TC <= 25 then k3 = 10^(-5.86 - 317.0 / TK )
-   70    if TC > 25 then k3 = 10^(-1.1 - 1737.0 / TK )
-   80  REM surface area calculation
-   90    t = 1
-   100   if M0 > 0 then t = M/M0
-   110   if t = 0 then t = 1
-   120   area = PARM(1) * (t)^PARM(2)
-   130   rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")
+   1 REM Modified from Plummer and others, 1978
+   2 REM M = current moles of calcite
+   3 REM M0 = initial moles of calcite
+   4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell)
+   5 REM parm(2) = exponent for M/M0 for surface area correction
+   10 REM rate = 0 if no calcite and undersaturated
+   20 si_cc = SI("Calcite")
+   30 if (M <= 0 and si_cc < 0) then goto 300
+   40 k1 = 10^(0.198 - 444 / TK )
+   50 k2 = 10^(2.84 - 2177 / TK )
+   60 if TC <= 25 then k3 = 10^(-5.86 - 317 / TK )
+   70 if TC > 25 then k3 = 10^(-1.1 - 1737 / TK )
+   80 REM surface area calculation
+   90 t = 1
+   100 if M0 > 0 then t = M/M0
+   110 if t = 0 then t = 1
+   120 area = PARM(1) * (t)^PARM(2)
+   130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")
    140 REM 1e-3 converts mmol to mol
-   150   rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc))
-   160   moles = rate * TIME
+   150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc))
+   160 moles = rate * TIME
    170 REM do not dissolve more calcite than present
-   180   if (moles > M) then moles = M
-   190   if (moles >= 0) then goto 300
+   180 if (moles > M) then moles = M
+   190 if (moles >= 0) then goto 300
    200 REM do not precipitate more Ca or C(4) than present
-   210   temp = TOT("Ca")
-   220   mc  = TOT("C(4)")
-   230   if mc < temp then temp = mc
-   240   if -moles > temp then moles = -temp
+   210 temp = TOT("Ca")
+   220 mc = TOT("C(4)")
+   230 if mc < temp then temp = mc
+   240 if -moles > temp then moles = -temp
    300 SAVE moles
   -end
 
@@ -3848,26 +3852,26 @@ Calcite
 #Pyrite
 #######
 #
-# Williamson, M.A. and Rimstidt, J.D., 1994, 
+# Williamson, M.A. and Rimstidt, J.D., 1994,
 # Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
 #
 # Example of KINETICS data block for pyrite rate:
 #       KINETICS 1
-#       Pyrite  
+#       Pyrite
 #               -tol    1e-8
 #               -m0     5.e-4
 #               -m      5.e-4
-#               -parms  2.0     0.67     .5      -0.11 
+#               -parms  2.0     0.67     .5      -0.11
 Pyrite
   -start
-   1 rem        Williamson and Rimstidt, 1994
-   2 rem        parm(1) = log10(A/V, 1/dm)      parm(2) = exp for (m/m0)
-   3 rem        parm(3) = exp for O2            parm(4) = exp for H+
-      
+   1 rem Williamson and Rimstidt, 1994
+   2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0)
+   3 rem parm(3) = exp for O2 parm(4) = exp for H+
+
    10 if (m <= 0) then goto 200
    20 if (si("Pyrite") >= 0) then goto 200
-   25  rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
-   30  moles = 10^rate * time
+   25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
+   30 moles = 10^rate * time
    40 if (moles > m) then moles = m
    200 save moles
   -end
@@ -3885,16 +3889,16 @@ Pyrite
 #               -m      5e-3
 Organic_C
  -start
-   1  rem      Additive Monod kinetics
-   2  rem      Electron acceptors: O2, NO3, and SO4
+   1 rem Additive Monod kinetics
+   2 rem Electron acceptors: O2, NO3, and SO4
 
    10 if (m <= 0) then goto 200
-   20  mO2 = mol("O2")
-   30  mNO3 = tot("N(5)")
-   40  mSO4 = tot("S(6)")
-   50   rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
-   60   rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
-   70  moles = rate * m * (m/m0) * time
+   20 mO2 = mol("O2")
+   30 mNO3 = tot("N(5)")
+   40 mSO4 = tot("S(6)")
+   50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
+   60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
+   70 moles = rate * m * (m/m0) * time
    80 if (moles > m) then moles = m
    200 save moles
  -end
@@ -3913,222 +3917,222 @@ Organic_C
 #               -m      0.1
 Pyrolusite
   -start
-   5    if (m <= 0.0) then goto 200
-   7    sr_pl = sr("Pyrolusite")
-   9    if abs(1 - sr_pl) < 0.1 then goto 200
-   10   if (sr_pl > 1.0) then goto 100
+   5 if (m <= 0.0) then goto 200
+   7 sr_pl = sr("Pyrolusite")
+   9 if abs(1 - sr_pl) < 0.1 then goto 200
+   10 if (sr_pl > 1.0) then goto 100
    #20 rem      initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
    #22 rem       time (3 cells) = 1.432e4.  1/time = 6.98e-5
-   30   Fe_t = tot("Fe(2)")
-   32   if Fe_t < 1.e-8 then goto 200
-   40   moles = 6.98e-5 * Fe_t  * (m/m0)^0.67 * time * (1 - sr_pl)
-   50   if moles > Fe_t / 2 then moles = Fe_t / 2
-   70   if moles > m then moles = m
-   90   goto 200
-   100  Mn_t = tot("Mn")
-   110  moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
-   120  if moles <= -Mn_t then moles = -Mn_t
-   200  save moles
+   30 Fe_t = tot("Fe(2)")
+   32 if Fe_t < 1e-8 then goto 200
+   40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl)
+   50 if moles > Fe_t / 2 then moles = Fe_t / 2
+   70 if moles > m then moles = m
+   90 goto 200
+   100 Mn_t = tot("Mn")
+   110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
+   120 if moles <= -Mn_t then moles = -Mn_t
+   200 save moles
   -end
 SURFACE_MASTER_SPECIES
 # Monodentate 60%
-  H_a  H_aH;  H_b  H_bH;  H_c  H_cH;  H_d  H_dH
-  H_e  H_eH;  H_f  H_fH;  H_g  H_gH;  H_h  H_hH
+  H_a H_aH;  H_b H_bH;  H_c H_cH;  H_d H_dH
+  H_e H_eH;  H_f H_fH;  H_g H_gH;  H_h H_hH
 # Diprotic 40%
   H_ab H_abH2;  H_ad H_adH2;  H_af H_afH2;  H_ah H_ahH2
   H_bc H_bcH2;  H_be H_beH2;  H_bg H_bgH2;  H_cd H_cdH2
   H_cf H_cfH2;  H_ch H_chH2;  H_de H_deH2;  H_dg H_dgH2
 SURFACE_SPECIES
-  H_aH = H_aH; log_k 0;  H_bH = H_bH; log_k 0;  H_cH = H_cH; log_k 0;  H_dH = H_dH; log_k 0;
-  H_eH = H_eH; log_k 0;  H_fH = H_fH; log_k 0;  H_gH = H_gH; log_k 0;  H_hH = H_hH; log_k 0;
+  H_aH = H_aH; log_k 0;  H_bH = H_bH; log_k 0;  H_cH = H_cH; log_k 0;  H_dH = H_dH; log_k 0
+  H_eH = H_eH; log_k 0;  H_fH = H_fH; log_k 0;  H_gH = H_gH; log_k 0;  H_hH = H_hH; log_k 0
 
-  H_abH2 = H_abH2; log_k 0;  H_adH2 = H_adH2; log_k 0;  H_afH2 = H_afH2; log_k 0;
-  H_ahH2 = H_ahH2; log_k 0;  H_bcH2 = H_bcH2; log_k 0;  H_beH2 = H_beH2; log_k 0;
-  H_bgH2 = H_bgH2; log_k 0;  H_cdH2 = H_cdH2; log_k 0;  H_cfH2 = H_cfH2; log_k 0;
-  H_chH2 = H_chH2; log_k 0;  H_deH2 = H_deH2; log_k 0;  H_dgH2 = H_dgH2; log_k 0;
+  H_abH2 = H_abH2; log_k 0;  H_adH2 = H_adH2; log_k 0;  H_afH2 = H_afH2; log_k 0
+  H_ahH2 = H_ahH2; log_k 0;  H_bcH2 = H_bcH2; log_k 0;  H_beH2 = H_beH2; log_k 0
+  H_bgH2 = H_bgH2; log_k 0;  H_cdH2 = H_cdH2; log_k 0;  H_cfH2 = H_cfH2; log_k 0
+  H_chH2 = H_chH2; log_k 0;  H_deH2 = H_deH2; log_k 0;  H_dgH2 = H_dgH2; log_k 0
 # Protons
-  H_aH = H_a- + H+; log_k  -1.59
-  H_bH = H_b- + H+; log_k  -2.70
-  H_cH = H_c- + H+; log_k  -3.82
-  H_dH = H_d- + H+; log_k  -4.93
-  
-  H_eH = H_e- + H+; log_k  -6.88
-  H_fH = H_f- + H+; log_k  -8.72
-  H_gH = H_g- + H+; log_k  -10.56
-  H_hH = H_h- + H+; log_k  -12.40
-  
-  H_abH2 = H_abH- + H+; log_k -1.59;  H_abH- = H_ab-2 + H+; log_k -2.70
+  H_aH = H_a- + H+; log_k -1.59
+  H_bH = H_b- + H+; log_k -2.7
+  H_cH = H_c- + H+; log_k -3.82
+  H_dH = H_d- + H+; log_k -4.93
+
+  H_eH = H_e- + H+; log_k -6.88
+  H_fH = H_f- + H+; log_k -8.72
+  H_gH = H_g- + H+; log_k -10.56
+  H_hH = H_h- + H+; log_k -12.4
+
+  H_abH2 = H_abH- + H+; log_k -1.59;  H_abH- = H_ab-2 + H+; log_k -2.7
   H_adH2 = H_adH- + H+; log_k -1.59;  H_adH- = H_ad-2 + H+; log_k -4.93
   H_afH2 = H_afH- + H+; log_k -1.59;  H_afH- = H_af-2 + H+; log_k -8.72
-  H_ahH2 = H_ahH- + H+; log_k -1.59;  H_ahH- = H_ah-2 + H+; log_k -12.40
-  H_bcH2 = H_bcH- + H+; log_k -2.70;  H_bcH- = H_bc-2 + H+; log_k -3.82
-  H_beH2 = H_beH- + H+; log_k -2.70;  H_beH- = H_be-2 + H+; log_k -6.88
-  H_bgH2 = H_bgH- + H+; log_k -2.70;  H_bgH- = H_bg-2 + H+; log_k -10.56
+  H_ahH2 = H_ahH- + H+; log_k -1.59;  H_ahH- = H_ah-2 + H+; log_k -12.4
+  H_bcH2 = H_bcH- + H+; log_k -2.7;  H_bcH- = H_bc-2 + H+; log_k -3.82
+  H_beH2 = H_beH- + H+; log_k -2.7;  H_beH- = H_be-2 + H+; log_k -6.88
+  H_bgH2 = H_bgH- + H+; log_k -2.7;  H_bgH- = H_bg-2 + H+; log_k -10.56
   H_cdH2 = H_cdH- + H+; log_k -3.82;  H_cdH- = H_cd-2 + H+; log_k -4.93
   H_cfH2 = H_cfH- + H+; log_k -3.82;  H_cfH- = H_cf-2 + H+; log_k -8.72
-  H_chH2 = H_chH- + H+; log_k -3.82;  H_chH- = H_ch-2 + H+; log_k -12.40
+  H_chH2 = H_chH- + H+; log_k -3.82;  H_chH- = H_ch-2 + H+; log_k -12.4
   H_deH2 = H_deH- + H+; log_k -4.93;  H_deH- = H_de-2 + H+; log_k -6.88
   H_dgH2 = H_dgH- + H+; log_k -4.93;  H_dgH- = H_dg-2 + H+; log_k -10.56
 # Mg From Lofts and Tipping, 2000
-  H_aH + Mg+2 = H_aMg+ + H+; log_k  -3.30
-  H_bH + Mg+2 = H_bMg+ + H+; log_k  -3.30
-  H_cH + Mg+2 = H_cMg+ + H+; log_k  -3.30
-  H_dH + Mg+2 = H_dMg+ + H+; log_k  -3.30
+  H_aH + Mg+2 = H_aMg+ + H+; log_k -3.3
+  H_bH + Mg+2 = H_bMg+ + H+; log_k -3.3
+  H_cH + Mg+2 = H_cMg+ + H+; log_k -3.3
+  H_dH + Mg+2 = H_dMg+ + H+; log_k -3.3
 
-  H_eH + Mg+2 = H_eMg+ + H+; log_k  -7.12
-  H_fH + Mg+2 = H_fMg+ + H+; log_k  -7.12
-  H_gH + Mg+2 = H_gMg+ + H+; log_k  -7.12
-  H_hH + Mg+2 = H_hMg+ + H+; log_k  -7.12
+  H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12
+  H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12
+  H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12
+  H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12
 
-  H_abH2 + Mg+2 = H_abMg + 2H+; log_k -6.60
-  H_adH2 + Mg+2 = H_adMg + 2H+; log_k -6.60
-  H_afH2 + Mg+2 = H_afMg + 2H+; log_k -10.42
-  H_ahH2 + Mg+2 = H_ahMg + 2H+; log_k -10.42
-  H_bcH2 + Mg+2 = H_bcMg + 2H+; log_k -6.60
-  H_beH2 + Mg+2 = H_beMg + 2H+; log_k -10.42
-  H_bgH2 + Mg+2 = H_bgMg + 2H+; log_k -10.42
-  H_cdH2 + Mg+2 = H_cdMg + 2H+; log_k -6.60
-  H_cfH2 + Mg+2 = H_cfMg + 2H+; log_k -10.42
-  H_chH2 + Mg+2 = H_chMg + 2H+; log_k -10.42
-  H_deH2 + Mg+2 = H_deMg + 2H+; log_k -10.42
-  H_dgH2 + Mg+2 = H_dgMg + 2H+; log_k -10.42
+  H_abH2 + Mg+2 = H_abMg + 2 H+; log_k -6.6
+  H_adH2 + Mg+2 = H_adMg + 2 H+; log_k -6.6
+  H_afH2 + Mg+2 = H_afMg + 2 H+; log_k -10.42
+  H_ahH2 + Mg+2 = H_ahMg + 2 H+; log_k -10.42
+  H_bcH2 + Mg+2 = H_bcMg + 2 H+; log_k -6.6
+  H_beH2 + Mg+2 = H_beMg + 2 H+; log_k -10.42
+  H_bgH2 + Mg+2 = H_bgMg + 2 H+; log_k -10.42
+  H_cdH2 + Mg+2 = H_cdMg + 2 H+; log_k -6.6
+  H_cfH2 + Mg+2 = H_cfMg + 2 H+; log_k -10.42
+  H_chH2 + Mg+2 = H_chMg + 2 H+; log_k -10.42
+  H_deH2 + Mg+2 = H_deMg + 2 H+; log_k -10.42
+  H_dgH2 + Mg+2 = H_dgMg + 2 H+; log_k -10.42
 # Calcium, Lofts and Tipping, 2000
-  H_aH + Ca+2 = H_aCa+ + H+; log_k  -3.20
-  H_bH + Ca+2 = H_bCa+ + H+; log_k  -3.20
-  H_cH + Ca+2 = H_cCa+ + H+; log_k  -3.20
-  H_dH + Ca+2 = H_dCa+ + H+; log_k  -3.20
+  H_aH + Ca+2 = H_aCa+ + H+; log_k -3.2
+  H_bH + Ca+2 = H_bCa+ + H+; log_k -3.2
+  H_cH + Ca+2 = H_cCa+ + H+; log_k -3.2
+  H_dH + Ca+2 = H_dCa+ + H+; log_k -3.2
 
-  H_eH + Ca+2 = H_eCa+ + H+; log_k  -6.99
-  H_fH + Ca+2 = H_fCa+ + H+; log_k  -6.99
-  H_gH + Ca+2 = H_gCa+ + H+; log_k  -6.99
-  H_hH + Ca+2 = H_hCa+ + H+; log_k  -6.99
+  H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99
+  H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99
+  H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99
+  H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99
 
-  H_abH2 + Ca+2 = H_abCa + 2H+; log_k -6.40
-  H_adH2 + Ca+2 = H_adCa + 2H+; log_k -6.40
-  H_afH2 + Ca+2 = H_afCa + 2H+; log_k -7.45
-  H_ahH2 + Ca+2 = H_ahCa + 2H+; log_k -10.2
-  H_bcH2 + Ca+2 = H_bcCa + 2H+; log_k -6.40
-  H_beH2 + Ca+2 = H_beCa + 2H+; log_k -10.2
-  H_bgH2 + Ca+2 = H_bgCa + 2H+; log_k -10.2
-  H_cdH2 + Ca+2 = H_cdCa + 2H+; log_k -6.40
-  H_cfH2 + Ca+2 = H_cfCa + 2H+; log_k -10.2
-  H_chH2 + Ca+2 = H_chCa + 2H+; log_k -10.2
-  H_deH2 + Ca+2 = H_deCa + 2H+; log_k -10.2
-  H_dgH2 + Ca+2 = H_dgCa + 2H+; log_k -10.2
+  H_abH2 + Ca+2 = H_abCa + 2 H+; log_k -6.4
+  H_adH2 + Ca+2 = H_adCa + 2 H+; log_k -6.4
+  H_afH2 + Ca+2 = H_afCa + 2 H+; log_k -7.45
+  H_ahH2 + Ca+2 = H_ahCa + 2 H+; log_k -10.2
+  H_bcH2 + Ca+2 = H_bcCa + 2 H+; log_k -6.4
+  H_beH2 + Ca+2 = H_beCa + 2 H+; log_k -10.2
+  H_bgH2 + Ca+2 = H_bgCa + 2 H+; log_k -10.2
+  H_cdH2 + Ca+2 = H_cdCa + 2 H+; log_k -6.4
+  H_cfH2 + Ca+2 = H_cfCa + 2 H+; log_k -10.2
+  H_chH2 + Ca+2 = H_chCa + 2 H+; log_k -10.2
+  H_deH2 + Ca+2 = H_deCa + 2 H+; log_k -10.2
+  H_dgH2 + Ca+2 = H_dgCa + 2 H+; log_k -10.2
 # Nickel
-  H_aH + Ni+2 = H_aNi+ + H+; log_k  -1.4
-  H_bH + Ni+2 = H_bNi+ + H+; log_k  -1.4
-  H_cH + Ni+2 = H_cNi+ + H+; log_k  -1.4
-  H_dH + Ni+2 = H_dNi+ + H+; log_k  -1.4
+  H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4
+  H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4
+  H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4
+  H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4
 
-  H_eH + Ni+2 = H_eNi+ + H+; log_k  -4.5
-  H_fH + Ni+2 = H_fNi+ + H+; log_k  -4.5
-  H_gH + Ni+2 = H_gNi+ + H+; log_k  -4.5
-  H_hH + Ni+2 = H_hNi+ + H+; log_k  -4.5
+  H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5
+  H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5
+  H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5
+  H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5
 
-  H_abH2 + Ni+2 = H_abNi + 2H+; log_k -2.8
-  H_adH2 + Ni+2 = H_adNi + 2H+; log_k -2.8
-  H_afH2 + Ni+2 = H_afNi + 2H+; log_k -5.9
-  H_ahH2 + Ni+2 = H_ahNi + 2H+; log_k -5.9
-  H_bcH2 + Ni+2 = H_bcNi + 2H+; log_k -2.8
-  H_beH2 + Ni+2 = H_beNi + 2H+; log_k -5.9
-  H_bgH2 + Ni+2 = H_bgNi + 2H+; log_k -5.9
-  H_cdH2 + Ni+2 = H_cdNi + 2H+; log_k -2.8
-  H_cfH2 + Ni+2 = H_cfNi + 2H+; log_k -5.9
-  H_chH2 + Ni+2 = H_chNi + 2H+; log_k -5.9
-  H_deH2 + Ni+2 = H_deNi + 2H+; log_k -5.9
-  H_dgH2 + Ni+2 = H_dgNi + 2H+; log_k -5.9
+  H_abH2 + Ni+2 = H_abNi + 2 H+; log_k -2.8
+  H_adH2 + Ni+2 = H_adNi + 2 H+; log_k -2.8
+  H_afH2 + Ni+2 = H_afNi + 2 H+; log_k -5.9
+  H_ahH2 + Ni+2 = H_ahNi + 2 H+; log_k -5.9
+  H_bcH2 + Ni+2 = H_bcNi + 2 H+; log_k -2.8
+  H_beH2 + Ni+2 = H_beNi + 2 H+; log_k -5.9
+  H_bgH2 + Ni+2 = H_bgNi + 2 H+; log_k -5.9
+  H_cdH2 + Ni+2 = H_cdNi + 2 H+; log_k -2.8
+  H_cfH2 + Ni+2 = H_cfNi + 2 H+; log_k -5.9
+  H_chH2 + Ni+2 = H_chNi + 2 H+; log_k -5.9
+  H_deH2 + Ni+2 = H_deNi + 2 H+; log_k -5.9
+  H_dgH2 + Ni+2 = H_dgNi + 2 H+; log_k -5.9
 # Copper
-  H_aH + Cu+2 = H_aCu+ + H+; log_k  -0.63
-  H_bH + Cu+2 = H_bCu+ + H+; log_k  -0.63
-  H_cH + Cu+2 = H_cCu+ + H+; log_k  -0.63
-  H_dH + Cu+2 = H_dCu+ + H+; log_k  -0.63
+  H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63
+  H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63
+  H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63
+  H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63
 
-  H_eH + Cu+2 = H_eCu+ + H+; log_k  -3.75
-  H_fH + Cu+2 = H_fCu+ + H+; log_k  -3.75
-  H_gH + Cu+2 = H_gCu+ + H+; log_k  -3.75
-  H_hH + Cu+2 = H_hCu+ + H+; log_k  -3.75
+  H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75
+  H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75
+  H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75
+  H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75
 
-  H_abH2 + Cu+2 = H_abCu + 2H+; log_k -1.26
-  H_adH2 + Cu+2 = H_adCu + 2H+; log_k -1.26
-  H_afH2 + Cu+2 = H_afCu + 2H+; log_k -4.38
-  H_ahH2 + Cu+2 = H_ahCu + 2H+; log_k -4.38
-  H_bcH2 + Cu+2 = H_bcCu + 2H+; log_k -1.26
-  H_beH2 + Cu+2 = H_beCu + 2H+; log_k -4.38
-  H_bgH2 + Cu+2 = H_bgCu + 2H+; log_k -4.38
-  H_cdH2 + Cu+2 = H_cdCu + 2H+; log_k -1.26
-  H_cfH2 + Cu+2 = H_cfCu + 2H+; log_k -4.38
-  H_chH2 + Cu+2 = H_chCu + 2H+; log_k -4.38
-  H_deH2 + Cu+2 = H_deCu + 2H+; log_k -4.38
-  H_dgH2 + Cu+2 = H_dgCu + 2H+; log_k -4.38
+  H_abH2 + Cu+2 = H_abCu + 2 H+; log_k -1.26
+  H_adH2 + Cu+2 = H_adCu + 2 H+; log_k -1.26
+  H_afH2 + Cu+2 = H_afCu + 2 H+; log_k -4.38
+  H_ahH2 + Cu+2 = H_ahCu + 2 H+; log_k -4.38
+  H_bcH2 + Cu+2 = H_bcCu + 2 H+; log_k -1.26
+  H_beH2 + Cu+2 = H_beCu + 2 H+; log_k -4.38
+  H_bgH2 + Cu+2 = H_bgCu + 2 H+; log_k -4.38
+  H_cdH2 + Cu+2 = H_cdCu + 2 H+; log_k -1.26
+  H_cfH2 + Cu+2 = H_cfCu + 2 H+; log_k -4.38
+  H_chH2 + Cu+2 = H_chCu + 2 H+; log_k -4.38
+  H_deH2 + Cu+2 = H_deCu + 2 H+; log_k -4.38
+  H_dgH2 + Cu+2 = H_dgCu + 2 H+; log_k -4.38
 # Zinc
-  H_aH + Zn+2 = H_aZn+ + H+; log_k  -1.7
-  H_bH + Zn+2 = H_bZn+ + H+; log_k  -1.7
-  H_cH + Zn+2 = H_cZn+ + H+; log_k  -1.7
-  H_dH + Zn+2 = H_dZn+ + H+; log_k  -1.7
+  H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7
+  H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7
+  H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7
+  H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7
 
-  H_eH + Zn+2 = H_eZn+ + H+; log_k  -4.9
-  H_fH + Zn+2 = H_fZn+ + H+; log_k  -4.9
-  H_gH + Zn+2 = H_gZn+ + H+; log_k  -4.9
-  H_hH + Zn+2 = H_hZn+ + H+; log_k  -4.9
+  H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9
+  H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9
+  H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9
+  H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9
 
-  H_abH2 + Zn+2 = H_abZn + 2H+; log_k -2.4
-  H_adH2 + Zn+2 = H_adZn + 2H+; log_k -2.4
-  H_afH2 + Zn+2 = H_afZn + 2H+; log_k -6.6
-  H_ahH2 + Zn+2 = H_ahZn + 2H+; log_k -6.6
-  H_bcH2 + Zn+2 = H_bcZn + 2H+; log_k -2.4
-  H_beH2 + Zn+2 = H_beZn + 2H+; log_k -6.6
-  H_bgH2 + Zn+2 = H_bgZn + 2H+; log_k -6.6
-  H_cdH2 + Zn+2 = H_cdZn + 2H+; log_k -2.4
-  H_cfH2 + Zn+2 = H_cfZn + 2H+; log_k -6.6
-  H_chH2 + Zn+2 = H_chZn + 2H+; log_k -6.6
-  H_deH2 + Zn+2 = H_deZn + 2H+; log_k -6.6
-  H_dgH2 + Zn+2 = H_dgZn + 2H+; log_k -6.6
+  H_abH2 + Zn+2 = H_abZn + 2 H+; log_k -2.4
+  H_adH2 + Zn+2 = H_adZn + 2 H+; log_k -2.4
+  H_afH2 + Zn+2 = H_afZn + 2 H+; log_k -6.6
+  H_ahH2 + Zn+2 = H_ahZn + 2 H+; log_k -6.6
+  H_bcH2 + Zn+2 = H_bcZn + 2 H+; log_k -2.4
+  H_beH2 + Zn+2 = H_beZn + 2 H+; log_k -6.6
+  H_bgH2 + Zn+2 = H_bgZn + 2 H+; log_k -6.6
+  H_cdH2 + Zn+2 = H_cdZn + 2 H+; log_k -2.4
+  H_cfH2 + Zn+2 = H_cfZn + 2 H+; log_k -6.6
+  H_chH2 + Zn+2 = H_chZn + 2 H+; log_k -6.6
+  H_deH2 + Zn+2 = H_deZn + 2 H+; log_k -6.6
+  H_dgH2 + Zn+2 = H_dgZn + 2 H+; log_k -6.6
 # Cadmium
-  H_aH + Cd+2 = H_aCd+ + H+; log_k  -1.52
-  H_bH + Cd+2 = H_bCd+ + H+; log_k  -1.52
-  H_cH + Cd+2 = H_cCd+ + H+; log_k  -1.52
-  H_dH + Cd+2 = H_dCd+ + H+; log_k  -1.52
+  H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52
+  H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52
+  H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52
+  H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52
 
-  H_eH + Cd+2 = H_eCd+ + H+; log_k  -5.57
-  H_fH + Cd+2 = H_fCd+ + H+; log_k  -5.57
-  H_gH + Cd+2 = H_gCd+ + H+; log_k  -5.57
-  H_hH + Cd+2 = H_hCd+ + H+; log_k  -5.57
+  H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57
+  H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57
+  H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57
+  H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57
 
-  H_abH2 + Cd+2 = H_abCd + 2H+; log_k -3.04
-  H_adH2 + Cd+2 = H_adCd + 2H+; log_k -3.04
-  H_afH2 + Cd+2 = H_afCd + 2H+; log_k -7.09
-  H_ahH2 + Cd+2 = H_ahCd + 2H+; log_k -7.09
-  H_bcH2 + Cd+2 = H_bcCd + 2H+; log_k -3.04
-  H_beH2 + Cd+2 = H_beCd + 2H+; log_k -7.09
-  H_bgH2 + Cd+2 = H_bgCd + 2H+; log_k -7.09
-  H_cdH2 + Cd+2 = H_cdCd + 2H+; log_k -3.04
-  H_cfH2 + Cd+2 = H_cfCd + 2H+; log_k -7.09
-  H_chH2 + Cd+2 = H_chCd + 2H+; log_k -7.09
-  H_deH2 + Cd+2 = H_deCd + 2H+; log_k -7.09
-  H_dgH2 + Cd+2 = H_dgCd + 2H+; log_k -7.09
+  H_abH2 + Cd+2 = H_abCd + 2 H+; log_k -3.04
+  H_adH2 + Cd+2 = H_adCd + 2 H+; log_k -3.04
+  H_afH2 + Cd+2 = H_afCd + 2 H+; log_k -7.09
+  H_ahH2 + Cd+2 = H_ahCd + 2 H+; log_k -7.09
+  H_bcH2 + Cd+2 = H_bcCd + 2 H+; log_k -3.04
+  H_beH2 + Cd+2 = H_beCd + 2 H+; log_k -7.09
+  H_bgH2 + Cd+2 = H_bgCd + 2 H+; log_k -7.09
+  H_cdH2 + Cd+2 = H_cdCd + 2 H+; log_k -3.04
+  H_cfH2 + Cd+2 = H_cfCd + 2 H+; log_k -7.09
+  H_chH2 + Cd+2 = H_chCd + 2 H+; log_k -7.09
+  H_deH2 + Cd+2 = H_deCd + 2 H+; log_k -7.09
+  H_dgH2 + Cd+2 = H_dgCd + 2 H+; log_k -7.09
 # Plumbum (Lead)
-  H_aH + Pb+2 = H_aPb+ + H+; log_k  -0.81
-  H_bH + Pb+2 = H_bPb+ + H+; log_k  -0.81
-  H_cH + Pb+2 = H_cPb+ + H+; log_k  -0.81
-  H_dH + Pb+2 = H_dPb+ + H+; log_k  -0.81
+  H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81
+  H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81
+  H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81
+  H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81
 
-  H_eH + Pb+2 = H_ePb+ + H+; log_k  -3.04
-  H_fH + Pb+2 = H_fPb+ + H+; log_k  -3.04
-  H_gH + Pb+2 = H_gPb+ + H+; log_k  -3.04
-  H_hH + Pb+2 = H_hPb+ + H+; log_k  -3.04
+  H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04
+  H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04
+  H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04
+  H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04
+
+  H_abH2 + Pb+2 = H_abPb + 2 H+; log_k -1.62
+  H_adH2 + Pb+2 = H_adPb + 2 H+; log_k -1.62
+  H_afH2 + Pb+2 = H_afPb + 2 H+; log_k -3.85
+  H_ahH2 + Pb+2 = H_ahPb + 2 H+; log_k -3.85
+  H_bcH2 + Pb+2 = H_bcPb + 2 H+; log_k -1.62
+  H_beH2 + Pb+2 = H_bePb + 2 H+; log_k -3.85
+  H_bgH2 + Pb+2 = H_bgPb + 2 H+; log_k -3.85
+  H_cdH2 + Pb+2 = H_cdPb + 2 H+; log_k -1.62
+  H_cfH2 + Pb+2 = H_cfPb + 2 H+; log_k -3.85
+  H_chH2 + Pb+2 = H_chPb + 2 H+; log_k -3.85
+  H_deH2 + Pb+2 = H_dePb + 2 H+; log_k -3.85
+  H_dgH2 + Pb+2 = H_dgPb + 2 H+; log_k -3.85
 
-  H_abH2 + Pb+2 = H_abPb + 2H+; log_k -1.62
-  H_adH2 + Pb+2 = H_adPb + 2H+; log_k -1.62
-  H_afH2 + Pb+2 = H_afPb + 2H+; log_k -3.85
-  H_ahH2 + Pb+2 = H_ahPb + 2H+; log_k -3.85
-  H_bcH2 + Pb+2 = H_bcPb + 2H+; log_k -1.62
-  H_beH2 + Pb+2 = H_bePb + 2H+; log_k -3.85
-  H_bgH2 + Pb+2 = H_bgPb + 2H+; log_k -3.85
-  H_cdH2 + Pb+2 = H_cdPb + 2H+; log_k -1.62
-  H_cfH2 + Pb+2 = H_cfPb + 2H+; log_k -3.85
-  H_chH2 + Pb+2 = H_chPb + 2H+; log_k -3.85
-  H_deH2 + Pb+2 = H_dePb + 2H+; log_k -3.85
-  H_dgH2 + Pb+2 = H_dgPb + 2H+; log_k -3.85
-  
 END
diff --git a/database/core10.dat b/database/core10.dat
index 0c77db5f..5b147d43 100644
--- a/database/core10.dat
+++ b/database/core10.dat
@@ -1,6824 +1,6824 @@
-# Marc Neveu - created March 2, 2017. Last edited April 16, 2018. mneveu@asu.edu
-# Reference for database description: Neveu M., Desch S. J., Castillo-Rogez J. C. (2017) 
-# Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions, 
-# and fate of antifreezes and radionuclides. Geochimica et Cosmochimica Acta 212, 324-371. 
- # http://dx.doi.org/10.1016/j.gca.2017.06.023
-#
-# Downloaded April 26, 2018 
-# 
-# Paraphrase from abstract:
-# This database is a compilation and careful validation of a 
-# comprehensive PHREEQC database, which combines the advantages
-# of the default databases phreeqc.dat (carefully vetted data, molar volumes) 
-# and llnl.dat (large diversity of species), and should be of broad use to 
-# anyone seeking to model aqueous geochemistry at pressures that 
-# differ from 1 bar.
-#
-# Extrapolation algorithms:
-# 64cri/cob: ? (12 aq species, all also with supcrt92)
-# Cp integration = Integration of heat capacity vs. temperature measurements (162 solids, 2 gases)
-# Constant H approx = Constant enthalpy approximation (76 solids)
-# 69hel: http://dx.doi.org/10.2475/ajs.267.7.729 (5 aq species)
-# Marion+12 (NH4Cl, NH4HCO3)
-# supcrt92 = SUPCRT92 (329 aq, solids, gases)
-# N17 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
-#
-# References:
-# APP14: http://dx.doi.org/10.1016/j.gca.2013.10.003 (25 molar volumes, see phreeqc.dat)
-# AS01: http://dx.doi.org/10.1016/S0168-6445(00)00062-0 (NO(g))
-# BH86: Barta and Hepler, 1986, Can. J.C. 64, 353. (Al+3, AlOH+2 molar volumes)
-# Catalano13: http://dx.doi.org/10.1002/jgre.20161 (23 saponites + ripidolite)
-# CWM89: http://www.worldcat.org/oclc/18559968 (20 solids, incl. 14 elemental)
-# E68: Ellis, 1968, J. Chem. Soc. A, 1138. (Li+ molar volume)
-# HDN+78: http://www.worldcatlibraries.org/oclc/13594862 (117 solids)
-# Hel+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (Pyridine)
-# Hel+09: http://dx.doi.org/10.1016/j.gca.2008.03.004 (Kerogen C128, C292, C515)
-# HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g))
-# Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume)
-# HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes)
-# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C):  Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g))
-# Kel60: http://www.worldcat.org/oclc/693388901 (8 gases)
-# M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume)
-# Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+)
-# Marion+05: http://dx.doi.org/10.1016/j.gca.2004.06.024 (Arcanite, Gypsum, Niter, Thenardite molar volumes)
-# Marion+08: http://dx.doi.org/10.1016/j.gca.2007.10.012 (FeOH+, FeOH+2, Melanterite molar volume)
-# Marion+09: http://dx.doi.org/10.1016/j.gca.2009.03.013 (Alum-K molar volume)
-# Marion+12: http://dx.doi.org/10.1016/j.icarus.2012.06.016 (NH4Cl, NH4HCO3)
-# MLS+03: http://dx.doi.org/10.2138/am-2003-5-613 (Goethite)
-# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X (HCl, MgSO4)
-# N17: http://dx.doi.org/10.1016/j.gca.2017.06.023 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
-# R01: http://dx.doi.org/10.1016/S0016-7037(01)00761-X ([(6)(CB)(CB)S])
-# RHF79: http://pubs.er.usgs.gov/publication/b1452 (40 solids)
-# RH98: http://dx.doi.org/10.1016/S0016-7037(97)00345-1 ([(aro)-O-(aro)], Kerogen C128, C292, C515)
-# SH88: http://dx.doi.org/10.1016/0016-7037(88)90181-0 (42 solutes, 1 solid)
-# SH90: http://dx.doi.org/10.1016/0016-7037(90)90429-O (6 organic solutes)
-# Sho93: http://dx.doi.org/10.1016/0016-7037(93)90542-5 (C2H4(g), CO(g))
-# Sho95: http://dx.doi.org/10.2475/ajs.295.5.496 (4 organic solutes)
-# Sho09: http://dx.doi.org/10.2113/gsecongeo.104.8.1235 (Goethite)
-# SHS89: http://dx.doi.org/10.1016/0016-7037(89)90341-4 (11 solutes)
-# SK93: http://dx.doi.org/10.1016/0016-7037(93)90128-J (44 acetic acid/acetate complexes)
-# SS93: http://dx.doi.org/10.1016/0016-7037(93)90337-V (CH2O)
-# SM93: http://dx.doi.org/10.1006/icar.1993.1185 (CO, CO(NH2)2, HCN solutes)
-# SSB97: http://dx.doi.org/10.1016/S0016-7037(97)00240-8 (UO2OH+, Uraninite)
-# SSH97: http://dx.doi.org/10.1016/S0016-7037(97)00009-4 (30 solutes)
-# SSW01: http://dx.doi.org/10.1016/S0016-7037(01)00717-7 (CO2, H2S)
-# Ste01: http://dx.doi.org/10.1016/S0009-2541(00)00263-1 (Ti(OH)4)
-# Wat81: “Ammonium Aluminosilicates: The Examination of a Mechanism for the High Temperature Condensation of Ammonia in Circumplanetary Subnebulae� MS Thesis, MIT, 1981. (NH4-feldspar, NH4-muscovite)
-# WEP+82: http://dx.doi.org/10.1063/1.555845 (87 solutes, solids, and gases)
-# WebElements: http://www.webelements.com/periodicity/molar_volume (K, U molar volumes)
-# WebMineral: http://www.webmineral.com (38 solid molar volumes)
-# Wilson+06: http://dx.doi.org/10.1016/j.gca.2005.10.003 (Chamosite, Lizardite)
-#
-# 73bar/kna: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances:  Springer-Verlag, New York. (Alum-K, MgOHCl, Na2SiO3, Nahcolite)
-# 77bar/kna: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances. Supplement:  Springer-Verlag, New York. (Natrosilite, Pseudowollastonite, Rankinite)
-# 87bou/bar: http://dx.doi.org/10.2113/gsecongeo.82.7.1839 (ZnOH+)
-# 88db 3: Database development group iii/3, 1988, Errors in computation of estimated delH298 for montmor-x endmembers of smectite-di solid solution:  LLNL Internal Memo. (Montmor-Ca, K, Mg, Na)
-# 89db 7=89db 6, Database development group, 1989, Zeolite thermodynamic data:  LLNL Internal memo. (Clinoptilolite-Ca, K, Na, Mesolite)
-# 76del/hal: http://dx.doi.org/10.1021/cr60301a001 (2 Cr solutes, 9 Cr solids)
-# 92gre/fug: Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H., 1992, Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium:  North-Holland, Amsterdam, 1, 714p. (4 U solutes, 21 U solids)
-# 90how/joh: http://dx.doi.org/10.1016/S0144-2449(05)80307-0 (Stilbite)
-# 82joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1982, Thermodynamic studies of zeolites: Analcime and dehydrated analcime:  Amer. Mineral., 67, 736-748. (Analcime)
-# 83joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1983, Thermodynamic studies of zeolites: Natrolite, mesolite, and scolecite:  Amer. Mineral., 68, 1134-1145. (Natrolite, Scolecite)
-# 91joh/tas: http://dx.doi.org/10.1016/S0021-9614(05)80135-1 (Mordenite)
-# 75kas/bor: Kashkay, C.H.M., Borovskaya,Y.U.B., and Babazade, M.A., 1975, Determination of delG0f298K of synthetic jarosite and its sulfate analogues:  Geochem. Intl., 12, 115-121. (Jarosite)
-# 87kee/rup: Kee, R.J., Rupley, F.M., and Miller, J.A., 1987, The Chemkin thermodynamic database:  SNL Rep. SAND-87-8215, 92p. (Ice)
-# 78lan: http://dx.doi.org/10.1016/0016-7037(78)90001-7 (Bassetite, Ningyoite, Saleeite)
-# 80lan/her: http://dx.doi.org/10.1016/0016-7037(80)90226-4 (ThCl4)
-# 82mar/smi: Martell, A.E., and Smith, R.M., 1982, Critical Stability Constants, Vol. 5: First Supplement:  Plenum, New York, 5, 604p. (MgSO4(aq))
-# 74nau/ryz: Naumov, G.B., Ryzhenko, B.N., and Khodakovsky, I.L., 1974, Handbook of Thermodynamic Data:  U.S.G.S. WRD-74-001, 328p. (CoCl+, CoFe2O4, CoS, CoSO4:H2O, Delafossite, Ni2SiO4)
-# 76mac: http://dx.doi.org/10.1016/0010-938X(76)90066-4 (Mn+3)
-# 95pok/hel: http://dx.doi.org/10.2475/ajs.295.10.1255 (4 solutes, 4 solids)
-# 85rar 2: http://dx.doi.org/10.1021/cr00070a003 (9 europium solids)
-# 87rar 2: Rard, J.A., 1987, Update of the europium data base, October, 1987:  LLNL Internal Memo. (3 europium solids)
-# 87rua/sew: http://dx.doi.org/10.1016/0016-7037(87)90013-5 (HCl)
-# 82sar/bar: Sarkar, A.K., Barnes, M.W., and Roy, D.M., 1982, Longevity of borehole and shaft sealing materials: thermodynamic properties of cements and related phases applied to repository sealing:  ONWI Tech. Rep. ONWI-201, 52p. (16 solids)
-# 84sve: http://dx.doi.org/10.1016/0016-7037(84)90203-5 (Sphaerocobaltite)
-# 78vau/cra: Vaughan, D.J., and Craig, J.R., 1978, Mineral chemistry of metal sulfides: Cambridge Univ. Press, Cambridge, MA. (5 solids)
-# 78wol: Wolery, T.J., 1978, Some chemical aspects of hydrothermal processes at mid-oceanic ridges -- A theoretical study. I. Basalt-sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals:  Unpub. Ph.D. Diss., Northwestern Univ., Evaston, IL, 263p. (23 clays)
-# 87woo/gar: Woods, T.L., and Garrels, R.M., 1987, Thermodynamic values at low temperature for natural inorganic materials: An uncritical summary:  Oxford Univ. Press, Oxford. (Atacamite, Brochantite, Dioptase)
-
-# Species have various valid temperature ranges, noted in the Range parameter. Currently, Phreeqc doesn’t use this parameter, so it is up to the user to remain in the valid temperature range for all data used.
-
-# Example entry block:
-
-# Formation reaction from basis species 
-# 	-llnl_gamma	# ion size parameter in B-dot Debye-Huckel equation
-# 	log_k		# at 25C, 1 bar, used if no -delta_H or -analytic
-# 	-delta_H	# molar enthalpy of reaction, used if no -analytic
-# #	deltafH		# molar enthalpy of formation from reference compounds
-#	-analytic	b1 b2 b3 b4 b5 b6 # logK = b1 + b2*T + b3/T + b4*log(T) + b5/T2 + b6*T2
-# #	Range		Tmin-Tmax # of validity of -analytic
-#	-Vm		a1 a2 a3 a4 omega # See APP14, SH88 for equations
-# #	Extrapol	# extrapolation algorithm
-# #	Ref		# references
-
-LLNL_AQUEOUS_MODEL_PARAMETERS
--temperatures
-	 0.01	25   60  100
-	  150  200  250  300
-#debye huckel a (adh)
--dh_a
-         0.4939    0.5114    0.5465    0.5995
-         0.6855    0.7994    0.9593    1.2180
-#debye huckel b (bdh)
--dh_b
-         0.3253    0.3288    0.3346    0.3421
-         0.3525    0.3639    0.3766    0.3925
--bdot
-         0.0374    0.0410    0.0438    0.0460
-         0.0470    0.0470    0.0340    0
-#cco2   (coefficients for the Drummond (1981) polynomial)
--co2_coefs
-        -1.0312              0.0012806
-          255.9                 0.4445
-      -0.001606
-
-SOLUTION_MASTER_SPECIES
-
-#element	species        alk     gfw_formula	element_gfw
-
-Al	Al+3	0	Al	26.9815
-Alkalinity	HCO3-	1	Ca0.5(CO3)0.5	50.05
-B	B(OH)3	0	B	10.811
-B(3)	B(OH)3	0	B	-36.44179
-C(-4)	CH4	0	CH4	-33.31051
-C(-3)	C2H6	0	C2H6	-30.54674
-C(-2)	C2H4	0	C2H4	-28.08539
-C	HCO3-	1	HCO3	12.011
-C(+2)	CO	0	C	-23.87691
-C(+4)	HCO3-	1	HCO3	-22.05727
-Ca	Ca+2	0	Ca	40.078
-Cl	Cl-	0	Cl	35.4527
-Cl(-1)	Cl-	0	Cl	-17.43358
-Cl(1)	ClO-	0	Cl	-16.11094
-Cl(3)	ClO2-	0	Cl	-14.87484
-Cl(5)	ClO3-	0	Cl	-13.71476
-Cl(7)	ClO4-	0	Cl	
-Co	Co+2	0	Co	58.9332
-Co(+2)	Co+2	0	Co	
-Co(+3)	Co+3	0	Co	
-Cr	CrO4-2	0	CrO4-2	51.9961
-Cr(+2)	Cr+2	0	Cr	
-Cr(+3)	Cr+3	0	Cr	
-Cr(+6)	CrO4-2	0	Cr	
-Cu	Cu+2	0	Cu	63.546
-Cu(+1)	Cu+1	0	Cu	
-Cu(+2)	Cu+2	0	Cu	
-E	e-	0	0	0
-Eu	Eu+3	0	Eu	151.965
-Eu(+2)	Eu+2	0	Eu	
-Eu(+3)	Eu+3	0	Eu	
-Fe	Fe+2	0	Fe	55.847
-Fe(+2)	Fe+2	0	Fe	
-Fe(+3)	Fe+3	-2	Fe	
-Gd	Gd+3	0	Gd	157.25
-Gd(+3)	Gd+3	0	Gd	
-H	H+	-1	H	1.0079
-H(0)	H2	0	H	
-H(+1)	H+	-1	0	
-K	K+	0	K	39.0983
-Li	Li+	0	Li	6.941
-Mg	Mg+2	0	Mg	24.305
-Mn	Mn+2	0	Mn	54.938
-Mn(+2)	Mn+2	0	Mn	
-Mn(+3)	Mn+3	0	Mn	
-Mn(+6)	MnO4-2	0	Mn	
-Mn(+7)	MnO4-	0	Mn	
-Mo	MoO4-2	0	Mo	95.94
-N	NH3	1	N	14.0067
-N(-3)	NH3	1	N	
-N(0)	N2	0	N	
-N(+3)	NO2-	0	N	
-N(+5)	NO3-	0	N	
-Na	Na+	0	Na	22.9898
-Ni	Ni+2	0	Ni	58.69
-O	H2O	0	O	15.994
-O(-2)	H2O	0	0	
-O(0)	O2	0	O	
-P	HPO4-2	2	P	30.9738
-P(5)	HPO4-2	2	P	
-S	SO4-2	0	SO4	32.066
-S(-2)	HS-	1	S	
-S(+2)	S2O3-2	0	S	
-S(+3)	S2O4-2	0	S	
-S(+4)	SO3-2	0	S	
-S(+5)	S2O5-2	0	S	
-S(+6)	SO4-2	0	SO4	
-S(+7)	S2O8-2	0	S	
-S(+8)	HSO5-	0	S	
-Sc	Sc+3	0	Sc	44.9559
-Si	SiO2	0	SiO2	28.0855
-Sm	Sm+3	0	Sm	150.36
-Sm(+2)	Sm+2	0	Sm	
-Sm(+3)	Sm+3	0	Sm	
-Th	Th+4	0	Th	232.0381
-Ti	Ti(OH)4	0	Ti	47.88
-U	UO2+2	0	U	238.0289
-U(+3)	U+3	0	U	
-U(+4)	U+4	0	U	
-U(+5)	UO2+	0	U	
-U(+6)	UO2+2	0	U	
-Zn	Zn+2	0	Zn	65.39
-
-SOLUTION_SPECIES
-
-#------------------
-# 31 basis species
-#------------------
-
-Al+3 = Al+3 
-	-llnl_gamma	9	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-128.681	kcal/mol
-	-Vm   		-2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86
-
-B(OH)3 = B(OH)3 
-	-llnl_gamma	3	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-256.82 	kcal/mol
-	-Vm 		7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89
-
-Ca+2 = Ca+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-129.8		kcal/mol
-	-Vm  		-0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14
-
-Cl- = Cl- 
-	-llnl_gamma	3	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-39.933		kcal/mol
-	-Vm		4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14
-
-Co+2 = Co+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-13.9		kcal/mol
-	-Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97
-
-CrO4-2 = CrO4-2 
-	-llnl_gamma	4	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-210.6		kcal/mol
-	-Vm		5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97
-
-Cu+2 = Cu+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		15.7		kcal/mol
-	-Vm		-1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14
-
-e- = e-
-
-Eu+3 = Eu+3 
-	-llnl_gamma	5	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-144.7		kcal/mol
-	-Vm		-3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88
-
-Fe+2 = Fe+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-22.05		kcal/mol
-	-Vm		-0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14
-
-Gd+3 = Gd+3 
-	-llnl_gamma	5	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-164.2		kcal/mol
-	-Vm		-2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88
-
-H+ = H+ 
-	-llnl_gamma	9	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-0		kJ/mol
-
-HCO3- = HCO3- 
-	-llnl_gamma	4	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-164.898	kcal/mol
-	-Vm		7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88
-
-HPO4-2 = HPO4-2 
-	-llnl_gamma	4	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-308.815	kcal/mol
-	-Vm		3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88
-
-K+ = K+ 
-	-llnl_gamma	3	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-60.27		kcal/mol
-	-Vm		3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14
-
-Li+ = Li+ 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-66.552		kcal/mol
-	-Vm		-0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68 
-
-Mg+2 = Mg+2 
-	-llnl_gamma	8	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-111.367	kcal/mol
-	-Vm		-1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14
-
-Mn+2 = Mn+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-52.724		kcal/mol
-	-Vm		-1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14
-
-MoO4-2 = MoO4-2 
-	-llnl_gamma	4.5	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-238.5		kcal/mol
-	-Vm		6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97
-
-NH3 = NH3 
-	-llnl_gamma	3	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-19.44		kcal/mol
-	-Vm		5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89
-
-Na+ = Na+ 
-	-llnl_gamma	4	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-57.433		kcal/mol
-	-Vm		2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14
-
-Ni+2 = Ni+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-12.9		kcal/mol
-	-Vm		-1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88
-
-H2O = H2O 
-	-llnl_gamma	3	
-        log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-68.317		kcal/mol
-
-SO4-2 = SO4-2 
-	-llnl_gamma	4	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-217.4		kcal/mol
-	-Vm		8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14
-
-Sc+3 = Sc+3 
-	-llnl_gamma	9	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-146.8		kcal/mol
-	-Vm		-2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97
-
-SiO2 = SiO2 
-	-llnl_gamma	3	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-209.775	kcal/mol
-	-Vm		1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89
-
-Sm+3 = Sm+3 
-	-llnl_gamma	9	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-165.2		kcal/mol
-	-Vm		-3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88
-
-Th+4 = Th+4 
-	-llnl_gamma	11	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-183.8		kcal/mol
-	-Vm		-4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97
-
-Ti(OH)4 = Ti(OH)4 
-	-llnl_gamma	3	
-	log_k		0
-#	deltafH		-0		kcal/mol
-	-Vm		7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01
-
-UO2+2 = UO2+2 
-	-llnl_gamma	4.5	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-1019		kJ/mol
-	-Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97
-
-Zn+2 = Zn+2 
-	-llnl_gamma	6	
-	log_k		0
-	-delta_H	0		kJ/mol
-#	deltafH		-36.66		kcal/mol
-	-Vm		-1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14
-
-#-------------------
-# 40 Redox couples
-#-------------------
-
-2H2O = O2 + 4H+ + 4e-  
-	-CO2_llnl_gamma
-	log_k		-85.9951
-	-delta_H	559.543		kJ/mol
-#	deltafH		-2.9		kcal/mol
-	-analytic	38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
-#	Range		0-350
-	-Vm		5.7889 6.3536 3.2528 -3.0417 -0.3943
-#	Extrapol	supcrt92
-#	Ref		SHS89
-
-SO4-2 + H+ = HS- + 2 O2  
-	-llnl_gamma	3.5    
-	log_k		-138.3169
-	-delta_H	869.226		kJ/mol
-#	deltafH		-3.85		kcal/mol
-	-analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
-#	Range		0-350
-	-Vm		5.0119 4.9799 3.4765 -2.9849 1.44100
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-.5 O2 + 2 HS- = S2-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		33.2673
-#	deltafH		-0		kcal/mol
-	-analytic	0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
-	-mass_balance	S(-2)2
-#	Range		0-350
-	-Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-2 H+ + 2 SO3-2  = S2O3-2 + O2 + H2O
-	-llnl_gamma	4.0    
-	log_k		-40.2906
-#	deltafH		-0		kcal/mol
-	-analytic	0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
-#	Range		0-350
-	-Vm		6.6685 12.4951 -7.7281 -3.2955 2.96940
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-H+ + HCO3- + H2O = CH4 + 2 O2
-	-llnl_gamma	3.0    
-	log_k		-144.1412
-	-delta_H	863.599		kJ/mol
-#	deltafH		-21.01		kcal/mol
-	-analytic	-0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
-#	Range		0-350
-	-Vm		6.7617 8.7279 2.3212 -3.1397 -0.31790
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
-	-llnl_gamma	3.0    
-	log_k		-228.6072
-#	deltafH		-0		kcal/mol
-	#analytic	-0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
-	-analytic	-491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
-#	Range		0-350
-	-Vm		8.75 13.1051 1.6258 -3.3207 -0.06270
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-2 H+ + 2 HCO3- = C2H4 + 3 O2
-	-llnl_gamma	3.0
-	log_k		-254.5034
-	-delta_H	1446.6		kJ/mol
-#	deltafH		24.65		kcal/mol
-	#analytic	-0.30329e2 0.71187e-1 -0.73140e5
-	-analytic	6e-2 3.60e-2 -7.17e4
-#	Range		0-350
-	-Vm		7.856 12.6391 -1.8737 -3.3014 -0.4
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-HCO3- + H+ = CO + H2O + 0.5 O2 
-	-llnl_gamma	3.0    
-	log_k		-41.7002
-	-delta_H	277.069		kJ/mol
-#	deltafH		-28.91		kcal/mol
-	-analytic	1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
-#	Range		0-350
-	-Vm		6.2373 7.4498 2.8184 -3.0869 -0.37150
-#	Extrapol	supcrt92
-#	Ref		SM93
- 
-Cl- + 0.5 O2 = ClO-   
-	-llnl_gamma	4.0    
-	log_k		-15.1014
-	-delta_H	66.0361		kJ/mol
-#	deltafH		-25.6		kcal/mol
-	-analytic	6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
-#	Range		0-350
-	-Vm		2.3599 -2.0164 6.5356 -2.6955 1.47670
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-O2 + Cl- = ClO2-   
-	-llnl_gamma	4.0    
-	log_k		-23.108
-	-delta_H	112.688		kJ/mol
-#	deltafH		-15.9		kcal/mol
-	-analytic	3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
-#	Range		0-350
-	-Vm		5.2163 4.958 3.7949 -2.9839 1.2637
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-1.5 O2 + Cl- = ClO3-   
-	-llnl_gamma	3.5    
-	log_k		-17.2608
-	-delta_H	81.3077		kJ/mol
-#	deltafH		-24.85		kcal/mol
-	-analytic	2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
-#	Range		0-350
-	-Vm		7.1665 9.7172 1.9307 -3.1807 1.0418
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-2 O2 + Cl- = ClO4-   
-	-llnl_gamma	3.5    
-	log_k		-15.7091
-	-delta_H	62.0194		kJ/mol
-#	deltafH		-30.91		kcal/mol
-	-analytic	7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
-#	Range		0-350
-	-Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O 
-	-llnl_gamma	5.0    
-	log_k		-11.4845
-	-delta_H	10.3198		kJ/mol
-#	deltafH		22		kcal/mol
-	-analytic	-2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
-#	Range		0-350
-	-Vm		-2.8678 -14.7777 11.5439 -2.1680 2.6901
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 
-	-llnl_gamma	4.5    
-	log_k		-21.6373
-	-delta_H	153.829		kJ/mol
-#	deltafH		-34.3		kcal/mol
-	-analytic	6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
-#	Range		0-350
-	-Vm		-0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C 
-
-5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 
-	-llnl_gamma	9.0    
-	log_k		8.3842
-	-delta_H	-81.0336	kJ/mol
-#	deltafH		-57		kcal/mol
-	-analytic	5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
-#	Range		0-350
-	-Vm		-2.7824 -14.5709 11.4661 -2.1765 2.7403
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
- 
-Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 
-	-llnl_gamma	4.0    
-	log_k		-18.7704
-	-delta_H	145.877		kJ/mol
-#	deltafH		17.132		kcal/mol
-	-analytic	3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
-#	Range		0-350
-	-Vm		0.807 -5.804 8.0165 -2.5390 0.40460
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
- 
-Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 
-	-llnl_gamma	4.5    
-	log_k		-27.5115
-	-delta_H	217.708		kJ/mol
-#	deltafH		-126.1		kcal/mol
-	-analytic	3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
-#	Range		0-350
-	-Vm		0.0407 -7.6776 8.7578 -2.4615 1.0929
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O 
-	-llnl_gamma	9.0    
-	log_k		8.4899
-	-delta_H	-97.209		kJ/mol
-#	deltafH		-11.85		kcal/mol
-	-analytic	-1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
-#	Range		0-350
-	-Vm		-2.4256 -13.6961 11.1141 -2.2127 2.58120
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
- 
-H2O = H2 + 0.5 O2   
-	-CO2_llnl_gamma
-	log_k		-46.1066
-	-delta_H	275.588		kJ/mol
-#	deltafH		-1		kcal/mol
-	-analytic	6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
-#	Range		0-350
-	-Vm		5.1427 4.7758 3.8729 -2.9764 -0.209
-#	Extrapol	supcrt92
-#	Ref		SHS89
-
-SO4-2 + H+ + 0.5 O2 = HSO5-  
-	-llnl_gamma	4.0    
-	log_k		-17.2865
-	-delta_H	140.038		kJ/mol
-#	deltafH		-185.38		kcal/mol
-	-analytic	5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
-#	Range		0-350
-	-Vm		8.9391 14.043 0.2349 -3.3594 0.86110
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
- 
-Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O 
-	-llnl_gamma	5.0    
-	log_k		-4.0811
-	-delta_H	-65.2892	kJ/mol
-#	deltafH		-34.895		kcal/mol
-	-analytic	3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
-#	Range		0-350
-	-Vm		-2.932 -14.934 11.6041 -2.1615 2.70250
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 76mac match
-
-2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ 
-	-llnl_gamma	4.0    
-	log_k		-32.4146
-	-delta_H	151.703		kJ/mol
-#	deltafH		-156		kcal/mol
-	-analytic	-1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
-#	Range		0-350
-	-Vm		5.6596 6.0368 3.3786 -3.0285 2.98030
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-2 NH3 + 1.5 O2 = N2 + 3 H2O  
-	-llnl_gamma	3.0    
-	log_k		116.4609
-	-delta_H	-687.08		kJ/mol
-#	deltafH		-2.495		kcal/mol
-	-analytic	-8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
-#	Range		0-350
-	-Vm		6.2046 7.3685 2.8539 -3.0836 -0.34680
-#	Extrapol	supcrt92
-#	Ref		SHS89
-
-1.5 O2 + NH3 = NO2- + H+ + H2O 
-	-llnl_gamma	3.0    
-	log_k		+46.8653
-	-delta_H	-290.901	kJ/mol
-#	deltafH		-25		kcal/mol
-	-analytic	-1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
-#	Range		0-350
-	-Vm		5.5864 5.859 3.4472 -3.0212 1.18470
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-2 O2 + NH3 = NO3- + H+ + H2O 
-	-llnl_gamma	3.0    
-	log_k		62.1001
-	-delta_H	-387.045	kJ/mol
-#	deltafH		-49.429		kcal/mol
-	-analytic	-3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
-#	Range		0-350
-	-Vm		7.3161 6.7824 -4.6838 -3.0594 1.09770
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
-	-llnl_gamma	5.0    
-	log_k		-25.2076
-#	deltafH		-0		kcal/mol
-	-analytic	-2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
-#	Range		0-350
-	-Vm		6.6784 8.528 2.3917 -3.1314 2.87720
-#	Extrapol	supcrt92
-#	Ref		SSW+97
-
-2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		41.8289
-#	deltafH		-0		kcal/mol
-	-analytic	0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
-#	Range		0-350
-	-Vm		8.2257 12.3054 0.9087 -3.2876 2.75870
-#	Extrapol	supcrt92
-#	Ref		SSW+97
-
-2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		70.7489
-#	deltafH		-0		kcal/mol
-	-analytic	0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
-#	Range		0-350
-	-Vm		13.3622 24.8454 -4.0153 -3.8061 2.32810
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-O2 + H+ + 3 HS- = S3-2 + 2 H2O
-	-llnl_gamma	4.0    
-	log_k		79.3915
-#	deltafH		-0		kcal/mol
-	-analytic	-0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
-	-mass_balance	S(-2)3
-#	Range		0-350
-	-Vm		6.7661 8.7396 2.315 -3.1403 2.97490
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
-	-llnl_gamma	4.0    
-	log_k		-6.2316
-#	deltafH		-0		kcal/mol
-	-analytic	0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
-#	Range		0-350
-	-Vm		8.4155 12.7691 0.7268 -3.3068 2.71310
-#	Extrapol	supcrt92
-#	Ref		SSW+97
-
-1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
-	-llnl_gamma	4.0    
-	log_k		125.2958
-#	deltafH		-0		kcal/mol
-	-analytic	0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
-	-mass_balance	S(-2)4
-#	Range		0-350
-	-Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-4 SO3-2 + 6 H+  = S4O6-2 + 1.5 O2 + 3 H2O
-	-llnl_gamma	4.0    
-	log_k		-38.3859
-#	deltafH		-0		kcal/mol
-	-analytic	0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
-#	Range		0-350
-	-Vm		10.2672 17.2902 -1.0502 -3.4937 2.28050
-#	Extrapol	supcrt92
-#	Ref		SSW+97
-
-2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
-	-llnl_gamma	4.0    
-	log_k		170.9802
-#	deltafH		-0		kcal/mol
-	-analytic	0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
-	-mass_balance	S(-2)5
-#	Range		0-350
-	-Vm		9.1107 14.4645 0.0649 -3.3770 2.70510
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
-	-llnl_gamma	4.0    
-	log_k		-99.4206
-#	deltafH		-0		kcal/mol
-	-analytic	0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
-#	Range		0-350
-	-Vm		8.8725 13.8806 0.2986 -3.3527 2.60760
-#	Extrapol	supcrt92
-#	Ref		SSW+97
-
-H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
-	-llnl_gamma	3.5    
-	log_k		3.0070
-#	deltafH		-0		kcal/mol
-	-analytic	0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
-#	Range		0-350
-	-Vm		7.0244 9.3687 2.0708 -3.1662 1.10730
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 92gre/fug match
-
-SO4-2 = SO3-2 + 0.5 O2   
-	-llnl_gamma	4.5    
-	log_k		-46.6244
-	-delta_H	267.985		kJ/mol
-#	deltafH		-151.9		kcal/mol
-	-analytic	-1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
-#	Range		0-350
-	-Vm		2.4632 -1.7691 6.4494 -2.7058 3.321
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 
-	-llnl_gamma	4.5    
-	log_k		-47.9624
-	-delta_H	326.911		kJ/mol
-#	deltafH		-120.5		kcal/mol
-	-analytic	-1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
-#	Range		0-350
-	-Vm		-0.0353 -7.8592 8.8194 -2.454 1.1512
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O 
-	-llnl_gamma	5.0    
-	log_k		-64.8028
-	-delta_H	377.881		kJ/mol
-#	deltafH		-489.1		kJ/mol
-	-analytic	2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
-#	Range		0-350
-	-Vm		-2.8438 -14.722 11.528 -2.1703 2.27520
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 92gre/fug match
-
-2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 
-	-llnl_gamma	5.5    
-	log_k		-33.9491
-	-delta_H	135.895		kJ/mol
-#	deltafH		-591.2		kJ/mol
-	-analytic	4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
-#	Range		0-350
-	-Vm		-4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 92gre/fug match
-
-UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 
-	-llnl_gamma	4.0    
-	log_k		-20.0169
-	-delta_H	133.759		kJ/mol
-#	deltafH		-1025.13	kJ/mol
-	-analytic	8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
-#	Range		0-350
-	-Vm		3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 92gre/fug match
-
-#---------------------------
-# 156 other aqueous species
-#---------------------------
-
-2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-5.595
-	-delta_H	-46.8566	kJ/mol
-#	deltafH		-372.08		kcal/mol
-	-analytic	-4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
-#	Range		0-350
-	-Vm		8.9971 14.1844 0.1805 -3.3653 1.39180
-#	Extrapol	supcrt92
-#	Ref		SK93, differ by 2.2 log K at 0C, 1 log K at 300C
- 
-2 H2O + Al+3 = AlO2- + 4 H+
-	-llnl_gamma	4.0    
-	log_k		-22.8833
-	-delta_H	180.899		kJ/mol
-#	deltafH		-222.079	kcal/mol
-	-analytic	1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
-#	Range		0-350
-	-Vm		3.7221 3.9954 -1.5879 -2.9441 1.74180
-#	Extrapol	supcrt92
-#	Ref		SSW+97, 95pok/hel match
-
-H2O + Al+3 = AlOH+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-4.9571
-	-delta_H	49.798		kJ/mol
-#	deltafH		-185.096	kcal/mol
-	-analytic	-2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
-#	Range		0-350
-	-Vm		-1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
-#	Extrapol	supcrt92
-#	Ref		SSW+97, 95pok/hel match
-
-B(OH)3 = BO2- + H+ + H2O
-	-llnl_gamma	4.0    
-	log_k		-9.2449
-	-delta_H	16.3302		kJ/mol
-#	deltafH		-184.6		kcal/mol
-	-analytic	-1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
-#	Range		0-350
-	-Vm		-2.2428 -6.2065 -6.3216 -2.5224 1.75950
-#	Extrapol	supcrt92
-#	Ref		SH88
- 
-HCO3- + H+ = CO2 + H2O
-	-CO2_llnl_gamma
-	log_k		6.3447
-	-delta_H	-9.7027		kJ/mol
-#	deltafH		-98.9		kcal/mol
-	-analytic	-1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
-#	Range		0-350
-	-Vm		6.2466 7.4711 2.8136 -3.0879 -0.1934
-#	Extrapol	supcrt92
-#	Ref		SSW01, SHS89
-
-HCO3- = CO3-2 + H+
-	-llnl_gamma	4.5    
-	log_k		-10.3288
-	-delta_H	14.6984		kJ/mol
-#	deltafH		-161.385	kcal/mol
-	-analytic	-6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
-#	Range		0-350
-	-Vm		2.8524 -3.9844 6.4142 -2.6143 3.39140
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-NH3 + HCO3- = CN- + 2 H2O + 0.5 O2 
-	-llnl_gamma	3.0    
-	log_k		-56.0505
-	-delta_H	344.151		kJ/mol
-#	deltafH		36		kcal/mol
-	-analytic	-1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
-#	Range		0-350
-	-Vm		5.4714 5.5813 3.5497 -3.0096 1.29000
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-HCO3- + H+ = HCOOH + 0.5 O2
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		-39.0524
-	-analytic	-16.6 0.041 -10000 0 0 -1.205e-5
-#	Range		0-350
-	-Vm		6.3957 7.7713 2.8318 -3.1002 -0.33
-#	Extrapol	supcrt92
-#	Ref		Sho95
-
-HCOOH = HCOO- + H+
-	-llnl_gamma	3.5		# EQ3/6 data0.sup
-	log_k		-3.752994
-	-analytic	-6.456 0.01694 0 0 0 -2.71e-5
-#	Range		0-350
-	-Vm		5.7842 4.7242 7.363 -2.9742 1.3003
-#	Extrapol	supcrt92
-#	Ref		Sho95
-
-2 HCO3- + 2 H+ = CH3COOH + 2 O2
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		-141.99219
-	-analytic	-6.037 0.0104 -42362 0 0 3.604e-5
-#	Range		0-350
-	-Vm		11.6198 5.218 2.5088 -2.9946 -0.15
-#	Extrapol	supcrt92
-#	Ref		Sho95
-
-CH3COOH = CH3COO- + H+ 
-	-llnl_gamma	4.5         
-	log_k		-4.7572
-#	deltafH		-0		kcal/mol
-	-analytic	-0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
-#	Range		0-350
-	-Vm		7.7525 8.6996 7.5825 -3.1385 1.31820
-#	Extrapol	supcrt92
-#	Ref		Sho95
-
-2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		6.631821
-	-analytic	15.98 -4.41e-2 0 0 0 4.25e-5
-#	Range		0-350
-	-Vm		7.7158 7.3031 10.9353 -3.0808 -0.3006
-#	Extrapol	supcrt92
-#	Ref		SM93
-
-3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
-	-llnl_gamma	3.0		# thermo.com.V8.R6+.tdat
-	log_k		-363.088
-	-analytic	-8.04e2 1.877 0 0 0 -1.33e-3
-#	Range		0-350
-	-Vm		10.768 17.6785 -0.5878 -3.5097 -0.165
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-H+ + HCO3- + H2O = CH3OH + 1.5 O2
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		-117.9046
-	-analytic	-262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
-#	Range		0-350
-	-Vm		6.9383 5.5146 11.4018 -3.0069 -0.14760
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		-224.1415
-	-analytic	-423.8 0.989 -10003 0 0 -6.93e-4
-#	Range		0-350
-	-Vm		9.2333 9.9581 12.1445 -3.1906 -0.2037
-#	Extrapol	supcrt92
-#	Ref		SH90
-
-HCO3- + H+ = CH2O + O2
-	-llnl_gamma	3.0		# EQ3/6 data0.sup
-	log_k		-86.57248
-	-analytic	-17.3 0.0404 -24072 0 0 -6.57e-6
-#	Range		0-350
-	-Vm		5.3113 5.3139 3.3901 -2.9986 -0.3984
-#	Extrapol	supcrt92
-#	Ref		SS93
-
-2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.3814
-	-delta_H	-2.7196		kJ/mol
-#	deltafH		-362.65		kcal/mol
-	-analytic	-1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
-#	Range		0-350
-	-Vm		12.9911 23.9379 -3.6556 -3.7685 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Ca+2 + CH3COOH = CaCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.8263
-	-delta_H	1.17152		kJ/mol
-#	deltafH		-245.62		kcal/mol
-	-analytic	-8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
-#	Range		0-350
-	-Vm		5.9002 6.6232 3.1505 -3.0527 0.36360
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-HCO3- + Ca+2 = CaCO3 + H+
-	-llnl_gamma	3.0    
-	log_k		-7.0017
-	-delta_H	30.5767		kJ/mol
-#	deltafH		-287.39		kcal/mol
-	-analytic	2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
-#	Range		0-350
-	-Vm		-0.3907 -8.7325 9.1753 -2.4179 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-Cl- + Ca+2 = CaCl+
-	-llnl_gamma	4.0    
-	log_k		-0.6956
-	-delta_H	2.02087		kJ/mol
-#	deltafH		-169.25		kcal/mol
-	-analytic	8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
-#	Range		0-350
-	-Vm		2.7148 -1.1497 6.1949 -2.7314 0.48620
-#	Extrapol	supcrt92
-#	Ref		SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C
-
-2 Cl- + Ca+2 = CaCl2
-	-llnl_gamma	3.0    
-	log_k		-0.6436
-	-delta_H	-5.8325		kJ/mol
-#	deltafH		-211.06		kcal/mol
-	-analytic	1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
-#	Range		0-350
-	-Vm		6.2187 7.4058 2.8322 -3.0851 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
- 
-SO4-2 + Ca+2 = CaSO4
-	-llnl_gamma	3.0    
-	log_k		2.1111
-	-delta_H	5.4392		kJ/mol
-#	deltafH		-345.9		kcal/mol
-	-analytic	2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
-#	Range		0-350
-	-Vm		2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.1468
-	-delta_H	-22.4262	kJ/mol
-#	deltafH		-251.46		kcal/mol
-	-analytic	-2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
-#	Range		0-350
-	-Vm		11.9141 21.312 -2.6321 -3.6599 3.49629
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
-	-llnl_gamma	4.0    
-	log_k		-11.281
-	-delta_H	-48.2415	kJ/mol
-#	deltafH		-373.73		kcal/mol
-	-analytic	6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
-#	Range		0-350
-	-Vm		20.3474 41.8989 -10.7127 -4.5110 1.47140
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Co+2 + CH3COOH = CoCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.2985
-	-delta_H	-8.70272	kJ/mol
-#	deltafH		-132.08		kcal/mol
-	-analytic	-5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
-#	Range		0-350
-	-Vm		5.0294 4.4992 3.9806 -2.9649 0.64720
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Co+2 + Cl- = CoCl+
-	-llnl_gamma	4.0    
-	log_k		0.1547
-	-delta_H	1.71962		kJ/mol
-#	deltafH		-53.422		kcal/mol
-	-analytic	1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
-#	Range		0-350
-	-Vm	1.8028 -3.3766 7.0702 -2.6394 0.71910
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 74nau/ryz match
- 
-2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		14.5192
-	-delta_H	-13.8783	kJ/mol
-#	deltafH		-356.2		kcal/mol
-	-analytic	1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
-#	Range		0-350
-	-Vm		12.4303 22.568 -3.1161 -3.7119 2.12160
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-5.8824
-	-delta_H	-25.899		kJ/mol
-#	deltafH		-222.69		kcal/mol
-	-analytic	-2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
-#	Range		0-350
-	-Vm		11.8801 21.2264 -2.5925 -3.6564 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-9.2139
-	-delta_H	-19.5476	kJ/mol
-#	deltafH		-219.74		kcal/mol
-	-analytic	-3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
-#	Range		0-350
-	-Vm		15.0715 29.0205 -5.6592 -3.9786 1.06910
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
-	-llnl_gamma	4.0    
-	log_k		-9.3788
-	-delta_H	-53.2205	kJ/mol
-#	deltafH		-345.32		kcal/mol
-	-analytic	3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
-#	Range		0-350
-	-Vm		20.2654 41.7019 -10.6422 -4.5029 1.3408
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Cu+ + CH3COOH = CuCH3COO + H+
-	-llnl_gamma	3.0    
-	log_k		-4.4274
-	-delta_H	-4.19237	kJ/mol
-#	deltafH		-99.97		kcal/mol
-	-analytic	6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
-#	Range		0-350
-	-Vm		7.3009 10.0483 1.7946 -3.1943 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Cu+2 + CH3COOH = CuCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-2.5252
-	-delta_H	-11.3805	kJ/mol
-#	deltafH		-103.12		kcal/mol
-	-analytic	-1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
-#	Range		0-350
-	-Vm		4.9722 4.362 4.029 -2.9592 0.56810
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-4.6912
-	-delta_H	-28.3257	kJ/mol
-#	deltafH		-383.67		kcal/mol
-	-analytic	-2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
-#	Range		0-350
-	-Vm		9.3029 14.9307 -0.1123 -3.3961 0.7384
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-7.9824
-	-delta_H	-47.3629	kJ/mol
-#	deltafH		-504.32		kcal/mol
-	-analytic	-3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
-#	Range		0-350
-	-Vm		16.6413 32.8512 -7.1605 -4.137 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Eu+3 + CH3COOH = EuCH3COO+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-1.9571
-	-delta_H	-14.5603	kJ/mol
-#	deltafH		-264.28		kcal/mol
-	-analytic	-1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
-#	Range		0-350
-	-Vm		2.75 -1.0666 6.169 -2.7348 1.5269
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-HCO3- + Eu+3 = EuCO3+ + H+
-	-llnl_gamma	4.0    
-	log_k		-2.4057
-	-delta_H	90.7844		kJ/mol
-#	deltafH		-287.9		kcal/mol # OBIGT: -311.27 kcal/mol HSS95
-	-analytic	2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
-#	Range		0-350
-	-Vm		-0.9842 -10.1779 9.7343 -2.3581 1.2465
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Eu+2 + Cl- = EuCl+
-	-llnl_gamma	4.0    
-	log_k		0.3819
-	-delta_H	8.50607		kJ/mol
-#	deltafH		-164		kcal/mol
-	-analytic	6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
-#	Range		0-350
-	-Vm		5.1742 4.8499 3.8487 -2.9794 0.2557
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Eu+3 + Cl- = EuCl+2
-	-llnl_gamma	4.5    
-	log_k		0.3086
-	-delta_H	13.9453		kJ/mol
-#	deltafH		-181.3		kcal/mol
-	-analytic	7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
-#	Range		0-350
-	-Vm		-0.3777 -8.6968 9.1514 -2.4194 1.4671
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 Cl- + Eu+3 = EuCl2+
-	-llnl_gamma	4.0    
-	log_k		-0.0425
-	-delta_H	18.6857		kJ/mol
-#	deltafH		-220.1		kcal/mol # OBIGT: -204.6 kcal/mol HSS95
-	-analytic	2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
-#	Range		0-350
-	-Vm		9.1152 14.474 0.0641 -3.3773 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-3 Cl- + Eu+3 = EuCl3
-	-llnl_gamma	3.0    
-	log_k		-0.4669
-	-delta_H	11.2926		kJ/mol
-#	deltafH		-261.8		kcal/mol
-	-analytic	4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
-#	Range		0-350
-	-Vm		6.2132 7.3881 2.8493 -3.0843 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-3 Cl- + Eu+2 = EuCl3-
-	-llnl_gamma	4.0    
-	log_k		2.0253
-	-delta_H	-3.76978	kJ/mol
-#	deltafH		-246.8		kcal/mol
-	-analytic	1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
-#	Range		0-350
-	-Vm		13.946 26.2721 -4.579 -3.865 0.9527
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-4 Cl- + Eu+3 = EuCl4-
-	-llnl_gamma	4.0    
-	log_k		-0.8913
-	-delta_H	-9.90771	kJ/mol
-#	deltafH		-306.8		kcal/mol
-	-analytic	4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
-#	Range		0-350
-	-Vm		10.9946 19.066 -1.7473 -3.5671 1.787
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-4 Cl- + Eu+2 = EuCl4-2
-	-llnl_gamma	4.0    
-	log_k		2.8470
-	-delta_H	-19.9493	kJ/mol
-#	deltafH		-290.6		kcal/mol
-	-analytic	-1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
-#	Range		0-350
-	-Vm		19.473 39.7656 -9.8784 -4.4228 2.4755
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-HPO4-2 + H+ + Eu+3 = EuH2PO4+2
-	-llnl_gamma	4.5    
-	log_k		9.4484
-	-delta_H	-17.0916	kJ/mol
-#	deltafH		-457.6		kcal/mol
-	-analytic	1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
-#	Range		0-350
-	-Vm		1.4946 -4.1236 7.3517 -2.6084 1.5372
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-HCO3- + Eu+3 = EuHCO3+2
-	-llnl_gamma	4.5    
-	log_k		1.6258
-	-delta_H	8.77803		kJ/mol
-#	deltafH		-307.5		kcal/mol
-	-analytic	3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
-#	Range		0-350
-	-Vm		0.4928 -6.572 8.3198 -2.5072 1.286
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-NO3- + Eu+3 = EuNO3+2
-	-llnl_gamma	4.5    
-	log_k		0.8745
-	-delta_H	-32.0955	kJ/mol
-#	deltafH		-201.8		kcal/mol
-	-analytic	1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
-#	Range		0-350
-	-Vm		1.2198 -4.7951 7.6178 -2.5807 1.6556
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-H2O + Eu+3 = EuO+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-16.337
-	-delta_H	110.947		kJ/mol
-#	deltafH		-186.5		kcal/mol # OBIGT: -177.81 kcal/mol HSS95
-	-analytic	1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
-#	Range		0-350
-	-Vm		2.7458 -1.0743 6.1663 -2.7345 0.4322
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Eu+3 = EuO2- + 4 H+
-	-llnl_gamma	4.0    
-	log_k		-34.5066
-	-delta_H	281.307		kJ/mol
-#	deltafH		-214.1		kcal/mol # OBIGT: -219.06 kcal/mol HSS95
-	-analytic	7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
-#	Range		0-350
-	-Vm		4.8468 4.0541 4.1548 -2.9465 1.1424
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Eu+3 = EuO2H + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-25.4173
-	-delta_H	222.313		kJ/mol
-#	deltafH		-228.2		kcal/mol
-	-analytic	3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
-#	Range		0-350
-	-Vm		4.8064 3.954 4.1968 -2.9424 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
- 
-H2O + Eu+3 = EuOH+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-7.9075
-	-delta_H	78.0065		kJ/mol
-#	deltafH		-194.373	kcal/mol
-	-analytic	6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
-#	Range		0-350
-	-Vm		2.6569 -1.2969 6.2659 -2.7253 1.1815
-#	Extrapol	supcrt92
-#	Ref		HSS95
- 
-SO4-2 + Eu+3 = EuSO4+
-	-llnl_gamma	4.0    
-	log_k		3.6430
-	-delta_H	62.3416		kJ/mol
-#	deltafH		-347.2		kcal/mol # OBIGT: -357.2 kcal/mol HSS95
-	-analytic	3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
-#	Range		0-350
-	-Vm		1.4399 -4.2627 7.4184 -2.6027 0.779
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.0295
-	-delta_H	-20.2924	kJ/mol
-#	deltafH		-259.1		kcal/mol
-	-analytic	-2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
-#	Range		0-350
-	-Vm		12.1698 21.937 -2.8791 -3.6858 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97, SK93
- 
-Fe+2 + CH3COOH = FeCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.4671
-	-delta_H	-3.80744	kJ/mol
-#	deltafH		-139.06		kcal/mol
-	-analytic	-1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
-#	Range		0-350
-	-Vm		5.2246 4.9785 3.7863 -2.9848 0.57560
-#	Extrapol	supcrt92
-#	Ref		SSH97, SK93
-
-Fe+2 + Cl- = FeCl+
-	-llnl_gamma	4.0    
-	log_k		-0.1605
-	-delta_H	3.02503		kJ/mol
-#	deltafH		-61.26		kcal/mol
-	-analytic	8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
-#	Range		0-350
-	-Vm		2.1468 -2.5367 6.7401 -2.6741 0.7003
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-Fe+3 + Cl- = FeCl+2
-	-llnl_gamma	4.5    
-	log_k		-0.8108
-	-delta_H	36.6421		kJ/mol
-#	deltafH		-180.018	kJ/mol
-	-analytic	1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
-#	Range		0-350
-	-Vm		-0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C
-
-2 Cl- + Fe+2 = FeCl2
-	-llnl_gamma	3.0    
-	log_k		-2.4541
-	-delta_H	6.46846		kJ/mol
-#	deltafH		-100.37		kcal/mol
-	-analytic	1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
-#	Range		0-350
-	-Vm		5.5057 5.665 3.5164 -3.0131 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
- 
-H2O + Fe+2 = FeOH+ + H+
-	-llnl_gamma	4.0    
-	log_k		-9.5
-	-analytic	1.706e-1 0 -2.883e3
-#	Range		0-350
-	-Vm		-0.2561 -8.4039 9.0457 -2.4315 0.7003
-#	Extrapol	supcrt92
-#	Ref		SSW+97, Marion+03,08 match
- 
-H2O + Fe+3 = FeOH+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-2.19
-#	deltafH		-0		kcal/mol
-	-analytic	5.300 0 -2.272e3
-#	Range		0-350
-	-Vm		-1.1562 -10.6009 9.9077 -2.3407 1.43820
-#	Extrapol	supcrt92
-#	Ref		SSW+97, Marion+08 match
- 
-2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-4.9625
-	-delta_H	-22.3426	kJ/mol
-#	deltafH		-401.74		kcal/mol
-	-analytic	-4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
-#	Range		0-350
-	-Vm		9.4165 15.2134 -0.2342 -3.4078 0.6223
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-8.3489
-	-delta_H	-37.9907	kJ/mol
-#	deltafH		-521.58		kcal/mol
-	-analytic	-8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
-#	Range		0-350
-	-Vm		16.8116 33.2662 -7.3215 -4.1541 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-  
-Gd+3 + CH3COOH = GdCH3COO+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-2.1037
-	-delta_H	-11.7152	kJ/mol
-#	deltafH		-283.1		kcal/mol
-	-analytic	-1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
-#	Range		0-350
-	-Vm		2.8605 -0.7945 6.0567 -2.7461 1.4477
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-HCO3- + Gd+3 = GdCO3+ + H+
-	-llnl_gamma	4.0    
-	log_k		-2.479
-	-delta_H	89.9476		kJ/mol
-#	deltafH		-307.6		kcal/mol # OBIGT: -330.22 kcal/mol HSS95
-	-analytic	2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
-#	Range		0-350
-	-Vm		-0.953 -10.1036 9.7095 -2.3612 1.1729
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Gd+3 + Cl- = GdCl+2
-	-llnl_gamma	4.5    
-	log_k		0.3086
-	-delta_H	14.7821		kJ/mol
-#	deltafH		-200.6		kcal/mol
-	-analytic	8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
-#	Range		0-350
-	-Vm		-0.263 -8.417 9.0425 -2.4309 1.4006
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 Cl- + Gd+3 = GdCl2+
-	-llnl_gamma	4.0    
-	log_k		-0.0425
-	-delta_H	21.1961		kJ/mol
-#	deltafH		-239		kcal/mol
-	-analytic	2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
-#	Range		0-350
-	-Vm		2.8492 -0.8272 6.0803 -2.7447 0.6305
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-3 Cl- + Gd+3 = GdCl3
-	-llnl_gamma	3.0    
-	log_k		-0.4669
-	-delta_H	15.895		kJ/mol
-#	deltafH		-280.2		kcal/mol
-	-analytic	4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
-#	Range		0-350
-	-Vm		6.3836 7.8028 2.6888 -3.1015 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-4 Cl- + Gd+3 = GdCl4-
-	-llnl_gamma	4.0    
-	log_k		-0.8913
-	-delta_H	-1.53971	kJ/mol
-#	deltafH		-324.3		kcal/mol
-	-analytic	4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
-#	Range		0-350
-	-Vm		11.1317 19.3995 -1.8761 -3.5809 1.631
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-HPO4-2 + H+ + Gd+3 = GdH2PO4+2
-	-llnl_gamma	4.5    
-	log_k		9.4484
-	-delta_H	-14.9996	kJ/mol
-#	deltafH		-476.6		kcal/mol
-	-analytic	1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
-#	Range		0-350
-	-Vm		1.6048 -3.8632 7.2686 -2.6192 1.4574
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-HCO3- + Gd+3 = GdHCO3+2
-	-llnl_gamma	4.5    
-	log_k		1.6991
-	-delta_H	10.0332		kJ/mol
-#	deltafH		-326.7		kcal/mol
-	-analytic	4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
-#	Range		0-350
-	-Vm		0.6026 -6.3043 8.2153 -2.5183 1.2048
-#	Extrapol	supcrt92
-#	Ref		HSS95
- 
-NO3- + Gd+3 = GdNO3+2
-	-llnl_gamma	4.5    
-	log_k		0.4347
-	-delta_H	-25.8195	kJ/mol
-#	deltafH		-219.8		kcal/mol
-	-analytic	2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
-#	Range		0-350
-	-Vm		1.3205 -4.5535 7.5323 -2.5907 1.5475
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-H2O + Gd+3 = GdO+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-16.337
-	-delta_H	113.039		kJ/mol
-#	deltafH		-205.5		kcal/mol # OBIGT: -196.63 kcal/mol HSS95
-	-analytic	2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
-#	Range		0-350
-	-Vm		2.8425 -0.8409 6.0801 -2.7441 0.3539
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Gd+3 = GdO2- + 4 H+
-	-llnl_gamma	4.0    
-	log_k		-34.4333
-	-delta_H	283.817		kJ/mol
-#	deltafH		-233		kcal/mol # OBIGT: -237.73 kcal/mol HSS95
-	-analytic	1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
-#	Range		0-350
-	-Vm		5.0344 4.5111 3.9769 -2.9654 1.0495 -1
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Gd+3 = GdO2H + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-25.2707
-	-delta_H	224.405		kJ/mol
-#	deltafH		-247.2		kcal/mol
-	-analytic	3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
-#	Range		0-350
-	-Vm		5.0117 4.4582 3.9917 -2.9632 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-H2O + Gd+3 = GdOH+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-7.9075
-	-delta_H	79.9855		kJ/mol
-#	deltafH		-213.4		kcal/mol # OBIGT: 212.9 kcal/mol HSS95
-	-analytic	8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
-#	Range		0-350
-	-Vm		2.7389 -1.0936 6.1786 -2.7337 1.1
-#	Extrapol	supcrt92
-#	Ref		HSS95
- 
-SO4-2 + Gd+3 = GdSO4+
-	-llnl_gamma	4.0    
-	log_k		-3.687
-	-delta_H	20.0832		kJ/mol
-#	deltafH		-376.8		kcal/mol
-	-analytic	3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
-	#analytic	3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
-#	Range		0-350
-	-Vm		1.4776 -4.1705 7.3822 -2.6065 0.7287
-#	Extrapol	supcrt92
-#	Ref		HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
- 
-2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		12.0709
-	-delta_H	19.7192		kJ/mol
-#	deltafH		-544.6		kcal/mol
-	-analytic	1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
-#	Range		0-350
-	-Vm		9.0963 14.4299 0.076 -3.3754 2.62180
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
- 
-HPO4-2 + H+ = H2PO4-
-	-llnl_gamma	4.0    
-	log_k		7.2054
-	-delta_H	-4.20492	kJ/mol
-#	deltafH		-309.82		kcal/mol
-	-analytic	8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
-#	Range		0-350
-	-Vm		6.4875 8.0594 2.5823 -3.1122 1.3003
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-HS- + H+ = H2S
-	-llnl_gamma	3.0    
-	log_k		6.9877
-	-delta_H	-21.5518	kJ/mol
-#	deltafH		-9.001		kcal/mol
-	-analytic	3.9283e1 2.8727e-2  1.3477e3 -1.8331e1  2.1018e1
-#	Range		0-350
-	-Vm		7.81 2.96 -0.46 # phreeqc.dat
-#	Extrapol	supcrt92	
-#	Ref		SSW01, SHS89
-
-3 H+ + 2 HPO4-2 = H3P2O7- + H2O
-	-llnl_gamma	4.0    
-	log_k		14.4165
-	-delta_H	21.8112		kJ/mol
-#	deltafH		-544.1		kcal/mol
-	-analytic	2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
-#	Range		0-350
-	-Vm		9.1292 14.5122 0.0398 -3.3788 0.8568
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-2 H+ + HPO4-2 = H3PO4
-	-llnl_gamma	3.0    
-	log_k		9.3751
-	-delta_H	3.74468		kJ/mol
-#	deltafH		-307.92		kcal/mol
-	-analytic	1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
-#	Range		0-350
-	-Vm		8.2727 12.4182 0.8691 -3.2924 -0.22
-#	Extrapol	supcrt92
-#	Ref		SHS89
- 
-4 H+ + 2 HPO4-2 = H4P2O7 + H2O
-	-llnl_gamma	3.0    
-	log_k		15.9263
-	-delta_H	29.7226		kJ/mol
-#	deltafH		-2268.6		kJ/mol
-	-analytic	6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
-#	Range		0-350
-	-Vm		9.2975 14.9199 -0.113 -3.3957 -0.62920
-#	Extrapol	supcrt92, 69hel
-#	Ref		SSW+97, WEP+82
- 
-2 H2O + Al+3 = HAlO2 + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-16.4329
-	-delta_H	144.704		kJ/mol
-#	deltafH		-230.73		kcal/mol
-	-analytic	4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
-#	Range		0-350
-	-Vm		3.5338 0.8485 5.4132 -2.8140 -0.03
-#	Extrapol	supcrt92
-#	Ref		SSW+97, 95pok/hel
- 
-H+ + CN- = HCN
-	-llnl_gamma	3.0    
-	log_k		9.2359
-	-delta_H	-43.5136	kJ/mol
-#	deltafH		25.6		kcal/mol
-	-analytic	1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
-#	Range		0-350
-	-Vm		8.0083 11.7705 1.1286 -3.2655 -0.1113
-#	Extrapol	supcrt92
-#	Ref		SM93
-
-H+ + Cl- = HCl
-	-llnl_gamma	3.0    
-	log_k		-0.67
-#	deltafH		-0		kcal/mol
-	-analytic	4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
-#	Range		0-350
-	-Vm		1.2547 -4.7177 7.6043 -2.5840 -0.7
-#	Extrapol	supcrt92, ?
-#	Ref		MS97, 87rua/sew match
- 
-H+ + CrO4-2 = HCrO4-
-	-llnl_gamma	4.0    
-	log_k		6.4944
-	-delta_H	2.9288		kJ/mol
-#	deltafH		-209.9		kcal/mol
-	-analytic	4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
-#	Range		0-350
-	-Vm		8.2211 12.2925 0.9174 -3.2871 0.923
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-NO2- + H+ = HNO2
-	-llnl_gamma	3.0    
-	log_k		3.2206
-	-delta_H	-14.782		kJ/mol
-#	deltafH		-119.382	kJ/mol
-	-analytic	1.9653 -1.1603e-4 0 0 1.1569e5
-#	Range		0-350
-	-Vm		5.9151 6.659 3.1378 -3.0542 -0.1507
-#	Extrapol	supcrt92, 69hel
-#	Ref		SSW+97, WEP+82 match
-
-NO3- + H+ = HNO3
-	-llnl_gamma	3.0    
-	log_k		-1.3025
-	-delta_H	16.8155		kJ/mol
-#	deltafH		-45.41		kcal/mol
-	-analytic	9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
-#	Range		0-350
-	-Vm		7.1623 9.7063 1.9367 -3.1802 -0.3066
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SHS89
-
-2 HPO4-2 + H+ = HP2O7-3 + H2O
-	-llnl_gamma	4.0    
-	log_k		5.4498
-	-delta_H	23.3326		kJ/mol
-#	deltafH		-2274.99	kJ/mol
-	-analytic	3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
-#	Range		0-350
-	-Vm		8.3302 12.5558 0.8208 -3.2980 4.647
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
- 
-SO3-2 + H+ = HSO3-
-	-llnl_gamma	4.0    
-	log_k		7.2054
-	-delta_H	9.33032		kJ/mol
-#	deltafH		-149.67		kcal/mol
-	-analytic	5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
-#	Range		0-350
-	-Vm		6.7014 8.5816 2.3771 -0.31338 1.1233
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-SO4-2 + H+ = HSO4-
-	-llnl_gamma	4.0    
-	log_k		1.9791
-	-delta_H	20.5016		kJ/mol
-#	deltafH		-212.5		kcal/mol
-	-analytic	4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
-#	Range		0-350
-	-Vm		8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-SiO2 + H2O = HSiO3- + H+
-	-llnl_gamma	4.0    
-	log_k		-9.9525
-	-delta_H	25.991		kJ/mol
-#	deltafH		-271.88		kcal/mol
-	-analytic	6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
-#	Range		0-350
-	-Vm		2.9735 -0.5158 5.9467 -2.7575 1.5511
-#	Extrapol	supcrt92
-#	Ref		SSH97
- 
-2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-10.2914
-	-delta_H	-1.79912	kJ/mol
-#	deltafH		-292.9		kcal/mol
-	-analytic	-2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
-#	Range		0-350
-	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-K+ + CH3COOH = KCH3COO + H+
-	-llnl_gamma	3.0    
-	log_k		-5.0211
-	-delta_H	4.8116		kJ/mol
-#	deltafH		-175.22		kcal/mol
-	-analytic	-2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
-#	Range		0-350
-	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-K+ + Cl- = KCl
-	-llnl_gamma	3.0    
-	log_k		-1.4946
-	-delta_H	14.1963		kJ/mol
-#	deltafH		-96.81		kcal/mol
-	-analytic	1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
-#	Range		0-350
-	-Vm		6.9932 9.297 2.0889 -3.1633 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97 
- 
-SO4-2 + K+ + H+ = KHSO4
-	-llnl_gamma	3.0    
-	log_k		0.8136
-	-delta_H	29.8319		kJ/mol
-#	deltafH		-270.54		kcal/mol
-	-analytic	1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
-#	Range		0-350
-	-Vm		9.1226 14.4964 0.0453 -3.3782 -0.001
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-SO4-2 + K+ = KSO4-
-	-llnl_gamma	4.0    
-	log_k		0.8796
-	-delta_H	2.88696		kJ/mol
-#	deltafH		-276.98		kcal/mol
-	-analytic	9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
-#	Range		0-350
-	-Vm		6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-9.2674
-	-delta_H	-24.7609	kJ/mol
-#	deltafH		-304.67		kcal/mol
-	-analytic	-3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
-#	Range		0-350
-	-Vm		16.3412 32.1211 -6.8785 -4.1068 1.2422
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Li+ + CH3COOH = LiCH3COO + H+
-	-llnl_gamma	3.0    
-	log_k		-4.4589
-	-delta_H	-6.64419	kJ/mol
-#	deltafH		-184.24		kcal/mol
-	-analytic	-3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
-#	Range		0-350
-	-Vm		8.388 12.6976 0.7639 -3.3038 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Li+ + Cl- = LiCl
-	-llnl_gamma	3.0    
-	log_k		-1.5115
-	-delta_H	3.36812		kJ/mol
-#	deltafH		-105.68		kcal/mol
-	-analytic	1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
-#	Range		0-350
-	-Vm		5.5837 5.8554 3.4416 -3.021 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.473
-	-delta_H	-23.8195	kJ/mol
-#	deltafH		-349.26		kcal/mol
-	-analytic	-4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
-#	Range		0-350
-	-Vm		12.3982 22.4898 -3.0853 -3.7086 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Mg+2 + CH3COOH = MgCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.4781
-	-delta_H	-8.42239	kJ/mol
-#	deltafH		-229.48		kcal/mol
-	-analytic	-2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
-#	Range		0-350
-	-Vm		5.4981 5.6424 3.5341 -3.0122 0.7483
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Mg+2 + HCO3- = MgCO3 + H+
-	-llnl_gamma	3.0    
-	log_k		-7.3499
-	-delta_H	23.8279		kJ/mol
-#	deltafH		-270.57		kcal/mol
-	-analytic	2.3465e2 5.5538e-2 -8.3947e3 -9.3104e1 -1.3106e2
-#	Range		0-350
-	-Vm		-0.7355 -9.5745 9.5062 -2.3831 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-Mg+2 + Cl- = MgCl+
-	-llnl_gamma	4.0    
-	log_k		-0.1349
-	-delta_H	-0.58576	kJ/mol
-#	deltafH		-151.44		kcal/mol
-	-analytic	4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
-#	Range		0-350
-	-Vm		2.223 -2.3505 6.6669 -2.6818 0.84490
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-SO4-2 + Mg+2 = MgSO4
-	-llnl_gamma	3.0    
-	log_k		2.4117
-	-delta_H	19.6051		kJ/mol
-#	deltafH		-1355.96	kJ/mol
-	-analytic	1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
-#	Range		0-350
-	-Vm		2.4 -0.97 6.1 -2.74 # APP14
-#	Extrapol	supcrt92, 69hel
-#	Ref		MS97, 82mar/smi match
-
-2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.4547
-	-delta_H	-11.4893	kJ/mol
-#	deltafH		-287.67		kcal/mol
-	-analytic	-9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
-#	Range		0-350
-	-Vm		13.1542 24.3405 -3.8236 -3.7851 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
-	-llnl_gamma	4.0    
-	log_k		-11.8747
-	-delta_H	-30.3591	kJ/mol
-#	deltafH		-408.28		kcal/mol
-	-analytic	-3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
-#	Range		0-350
-	-Vm		21.6217 45.0124 -11.9409 -4.6397 1.15360
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Mn+2 + CH3COOH = MnCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.5404
-	-delta_H	-3.07942	kJ/mol
-#	deltafH		-169.56		kcal/mol
-	-analytic	-1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
-#	Range		0-350
-	-Vm		6.0776 7.057 2.9786 -3.0706 0.4555
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Mn+2 + Cl- = MnCl+
-	-llnl_gamma	4.0    
-	log_k		0.3013
-	-delta_H	18.3134		kJ/mol
-#	deltafH		-88.28		kcal/mol
-	-analytic	8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
-#	Range		0-350
-	-Vm		7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
-	-llnl_gamma	3.5    
-	log_k		-20.2963
-	-delta_H	123.112		kJ/mol
-#	deltafH		-129.4		kcal/mol
-	-analytic	1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
-#	Range		0-350
-	-Vm		7.8248 11.3277 1.2912 -3.2472 0.9248
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-SO4-2 + Mn+2 = MnSO4
-	-llnl_gamma	3.0    
-	log_k		2.3529
-	-delta_H	14.1168		kJ/mol
-#	deltafH		-266.75		kcal/mol
-	-analytic	2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
-#	Range		0-350
-	-Vm		-1.31 -1.83 62.3 -2.7 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
- 
-2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
-	-llnl_gamma	4.0    
-	log_k		-0.1928
-	-delta_H	-56.735		kJ/mol
-#	deltafH		-265.2		kcal/mol
-	-analytic	3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
-#	Range		0-350
-	-Vm		19.3685 39.509 -9.7736 -4.4122 0.6495
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-NH3 + H+ = NH4+
-	-llnl_gamma	2.5    
-	log_k		9.2410
-	-delta_H	-51.9234	kJ/mol
-#	deltafH		-31.85		kcal/mol
-	-analytic	-1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
-#	Range		0-350
-	-Vm		3.8763 2.3448 8.5605 -2.8759 0.1502
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-NH3 + CH3COOH = NH4CH3COO
-	-llnl_gamma	3.0    
-	log_k		4.6964
-	-delta_H	-48.911		kJ/mol
-#	deltafH		-147.23		kcal/mol
-	-analytic	1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
-#	Range		0-350
-	-Vm		11.2849 19.7719 -2.0187 -3.5963 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-9.9989
-	-delta_H	-11.5771	kJ/mol
-#	deltafH		-292.4		kcal/mol
-	-analytic	-2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
-#	Range		0-350
-	-Vm		16.2062 31.7884 -6.7416 -4.0930 0.9633
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Na+ + CH3COOH = NaCH3COO + H+
-	-llnl_gamma	3.0    
-	log_k		-4.8606
-	-delta_H	-0.029288	kJ/mol
-#	deltafH		-173.54		kcal/mol
-	-analytic	6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
-#	Range		0-350
-	-Vm		8.3514 12.6125 0.7884 -3.3003 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Na+ + Cl- = NaCl
-	-llnl_gamma	3.0    
-	log_k		-0.777
-	-delta_H	5.21326		kJ/mol
-#	deltafH		-96.12		kcal/mol
-	-analytic	1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
-#	Range		0-350
-	-Vm		5.0364 4.5189 3.9669 -2.9658 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-Na+ + HCO3- = NaHCO3
-	-llnl_gamma	3.0    
-	log_k		0.1541
-	-delta_H	-13.7741	kJ/mol
-#	deltafH		-944.007	kJ/mol
-	-analytic	-9.0668e1 -2.9866e-2 2.7947e3 3.6515e1 4.7489e1
-#	Range		0-200
-	-Vm		0.431 # APP14
-#	Extrapol	69hel
-#	Ref		WEP+82
-
-SiO2 + Na+ + H2O = NaHSiO3 + H+
-	-llnl_gamma	3.0    
-	log_k		-8.304
-	-delta_H	11.6524		kJ/mol
-#	deltafH		-332.74		kcal/mol
-	-analytic	3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
-#	Range		0-350
-	-Vm		3.4928 0.75 5.4483 -2.8100 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-Na+ + H2O = NaOH + H+
-	-llnl_gamma	3.0    
-	log_k		-14.7948
-	-delta_H	53.6514		kJ/mol
-#	deltafH		-112.927	kcal/mol
-	-analytic	8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
-#	Range		0-350
-	-Vm		2.2338 -2.3287 6.6683 -2.6826 -0.03
-#	Extrapol	supcrt92
-#	Ref		SSW+97, 95pok/hel match
-
-2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-7.1908
-	-delta_H	-25.8571	kJ/mol
-#	deltafH		-251.28		kcal/mol
-	-analytic	-2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
-#	Range		0-350
-	-Vm		11.1327 19.4031 -1.8801 -3.5810 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
-	-llnl_gamma	4.0    
-	log_k		-11.3543
-	-delta_H	-53.6807	kJ/mol
-#	deltafH		-374.03		kcal/mol
-	-analytic	5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
-#	Range		0-350
-	-Vm		19.5212 39.8827 -9.9226 -4.4277 0.1603
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Ni+2 + CH3COOH = NiCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.3278
-	-delta_H	-10.2508	kJ/mol
-#	deltafH		-131.45		kcal/mol
-	-analytic	-3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
-#	Range		0-350
-	-Vm		4.3556 2.8512 4.6343 -2.8968 0.7287
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Ni+2 + Cl- = NiCl+
-	-llnl_gamma	4.0    
-	log_k		-0.9962
-	-delta_H	5.99567		kJ/mol
-#	deltafH		-51.4		kcal/mol
-	-analytic	9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
-#	Range		0-350
-	-Vm		1.1319 -5.0147 7.714 -2.5716 0.8111
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-H2O = OH- + H+
-	-llnl_gamma	3.5    
-	log_k		-13.9951
-	-delta_H	55.8146		kJ/mol
-#	deltafH		-54.977		kcal/mol
-	-analytic	-6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
-#	Range		0-350
-	-Vm		-9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SH88
-
-2 HPO4-2 = P2O7-4 + H2O
-	-llnl_gamma	4.0    
-	log_k		-3.7463
-	-delta_H	27.2256		kJ/mol
-#	deltafH		-2271.1		kJ/mol
-	-analytic	4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
-#	Range		0-350
-	-Vm		7.0687 9.4773 2.0273 -3.1707 6.9069
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
- 
-HPO4-2 = PO4-3 + H+
-	-llnl_gamma	4.0    
-	log_k		-12.3218
-	-delta_H	14.7068		kJ/mol
-#	deltafH		-305.3		kcal/mol
-	-analytic	-7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
-#	Range		0-350
-	-Vm		-0.5258 -9.0576 9.2927 -2.4045 5.61140
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
- 
-2 H+ + 2 SO3-2 = S2O5-2 + H2O
-	-llnl_gamma	4.0    
-	log_k		9.5934
-#	deltafH		-0		kcal/mol
-	-analytic	0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
-#	Range		0-350
-	-Vm		7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
-#	Extrapol	supcrt92
-#	Ref		SSW+97, SH88
-
-2 H+ + SO3-2 = SO2 + H2O
-	-llnl_gamma	3.0    
-	log_k		9.0656
-	-delta_H	26.7316		kJ/mol
-#	deltafH		-77.194		kcal/mol
-	-analytic	9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
-#	Range		0-350
-	-Vm		6.9502 9.189 2.1383 -3.1589 -0.0559
-#	Extrapol	supcrt92
-#	Ref		SHS89
-
-2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-3.7237
-	-delta_H	-43.1789	kJ/mol
-#	deltafH		-389.32		kcal/mol
-	-analytic	-4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
-#	Range		0-350
-	-Vm		9.2794 14.8737 -0.0899 -3.3938 0.9706
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-6.6777
-	-delta_H	-70.0402	kJ/mol
-#	deltafH		-511.84		kcal/mol
-	-analytic	-5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
-#	Range		0-350
-	-Vm		16.5277 32.5748 -7.0539 -4.1255 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Sc+3 + CH3COOH = ScCH3COO+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-1.4294
-	-delta_H	-21.7568	kJ/mol
-#	deltafH		-268.1		kcal/mol
-	-analytic	-2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
-#	Range		0-350
-	-Vm		2.7175 -1.1437 6.1937 -2.7316 1.7013
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-4.7132
-	-delta_H	-25.5224	kJ/mol
-#	deltafH		-403.5		kcal/mol
-	-analytic	-1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
-#	Range		0-350
-	-Vm		9.159 14.5839 0.0138 -3.3818 0.6644
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-7.8798
-	-delta_H	-43.5554	kJ/mol
-#	deltafH		-523.91		kcal/mol
-	-analytic	-2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
-#	Range		0-350
-	-Vm		16.5088 32.5307 -7.0412 -4.1237 -0.03
-#	Extrapol	supcrt92
-#	Ref		SK93
- 
-Sm+3 + CH3COOH = SmCH3COO+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-1.9205
-	-delta_H	-13.598		kJ/mol
-#	deltafH		-284.55		kcal/mol
-	-analytic	-1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
-#	Range		0-350
-	-Vm		2.6264 -1.3667 6.2827 -2.7224 1.4769
-#	Extrapol	supcrt92
-#	Ref		SK93
-
-Sm+3 + HCO3- = SmCO3+ + H+
-	-llnl_gamma	4.0    
-	log_k		-2.479
-	-delta_H	89.1108		kJ/mol
-#	deltafH		-308.8		kcal/mol # OBIGT: -331.34 kcal/mol HSS95
-	-analytic	2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
-#	Range		0-350
-	-Vm		-1.0455 -10.3293 9.798 -2.3519 1.1907
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + Cl- = SmCl+2
-	-llnl_gamma	4.5    
-	log_k		0.3086
-	-delta_H	14.3637		kJ/mol
-#	deltafH		-201.7		kcal/mol
-	-analytic	9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
-#	Range		0-350
-	-Vm		-0.5006 -8.9988 9.2743 -2.4069 1.4192
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 Cl- + Sm+3 = SmCl2+
-	-llnl_gamma	4.0    
-	log_k		-0.0425
-	-delta_H	19.9409		kJ/mol
-#	deltafH		-240.3		kcal/mol
-	-analytic	2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
-#	Range		0-350
-	-Vm		2.5888 -1.4617 6.3276 -2.7185 0.6644
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-3 Cl- + Sm+3 = SmCl3
-	-llnl_gamma	3.0    
-	log_k		-0.3936
-	-delta_H	13.803		kJ/mol
-#	deltafH		-281.7		kcal/mol
-	-analytic	4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
-#	Range		0-350
-	-Vm		6.0808 7.0673 2.9692 -3.0711 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-4 Cl- + Sm+3 = SmCl4-
-	-llnl_gamma	4.0    
-	log_k		-0.818
-	-delta_H	-5.30531	kJ/mol
-#	deltafH		-326.2		kcal/mol
-	-analytic	6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
-#	Range		0-350
-	-Vm		10.8148 18.6261 -1.5732 -3.5489 1.6917
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + HPO4-2 + H+ = SmH2PO4+2
-	-llnl_gamma	4.5    
-	log_k		9.4484
-	-delta_H	-15.8364	kJ/mol
-#	deltafH		-477.8		kcal/mol
-	-analytic	1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
-#	Range		0-350
-	-Vm		1.3708 -4.4295 7.4801 -2.5958 1.4867
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + HCO3- = SmHCO3+2
-	-llnl_gamma	4.5    
-	log_k		1.7724
-	-delta_H	9.19643		kJ/mol
-#	deltafH		-327.9		kcal/mol
-	-analytic	5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
-#	Range		0-350
-	-Vm		0.3694 -6.8727 8.4365 -2.4948 1.2366
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + NO3- = SmNO3+2
-	-llnl_gamma	4.5    
-	log_k		0.8012
-	-delta_H	-29.1667	kJ/mol
-#	deltafH		-221.6		kcal/mol
-	-analytic	3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
-#	Range		0-350
-	-Vm		1.0908 -5.1124 7.7478 -2.5676 1.5897
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + H2O = SmO+ + 2 H+
-	-llnl_gamma	4.0    
-	log_k		-16.4837
-	-delta_H	113.039		kJ/mol
-#	deltafH		-206.5		kcal/mol # OBIGT: -197.63 kcal/mol HSS95
-	-analytic	1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
-#	Range		0-350
-	-Vm		2.8115 -0.9157 6.1076 -2.741 0.3837
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Sm+3 = SmO2- + 4 H+
-	-llnl_gamma	4.0    
-	log_k		-35.0197
-	-delta_H	285.909		kJ/mol
-#	deltafH		-233.5		kcal/mol # OBIGT: -238.22 kcal/mol HSS95
-	-analytic	1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
-#	Range		0-350
-	-Vm		4.9642 4.3393 4.0456 -2.9583 1.0848
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-2 H2O + Sm+3 = SmO2H + 3 H+
-	-llnl_gamma	3.0    
-	log_k		-25.9304
-	-delta_H	226.497		kJ/mol
-#	deltafH		-247.7		kcal/mol
-	-analytic	3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
-#	Range		0-350
-	-Vm		4.9296 4.2552 4.0768 -2.9548 -0.03
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + H2O = SmOH+2 + H+
-	-llnl_gamma	4.5    
-	log_k		-7.9808
-	-delta_H	79.1487		kJ/mol
-#	deltafH		-214.6		kcal/mol # OBIGT: -213.97 kcal/mol HSS95
-	-analytic	6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
-#	Range		0-350
-	-Vm		2.7076 -1.1676 6.2027 -2.7306 1.1289
-#	Extrapol	supcrt92
-#	Ref		HSS95
-
-Sm+3 + SO4-2 = SmSO4+
-	-llnl_gamma	4.0    
-	log_k		3.6430
-	-delta_H	20.0832		kJ/mol
-#	deltafH		-377.8		kcal/mol
-	-analytic	3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
-#	Range		0-350
-	-Vm		-1.3885 -4.3882 7.4678 -2.5975 0.7483
-#	Extrapol	supcrt92
-#	Ref		HSS95
- 
-UO2+2 + H2O = UO2OH+ + H+
-	-llnl_gamma	4.0    
-	log_k		-5.2073
-	-delta_H	43.1813		kJ/mol
-#	deltafH		-1261.66	kJ/mol
-	-analytic	3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
-#	Range		0-350
-	-Vm		4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
-#	Extrapol	supcrt92, 64cri/cob
-#	Ref		SSW+97, 92gre/fug match
-
-2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
-	-llnl_gamma	3.0    
-	log_k		-6.062
-	-delta_H	-11.0458	kJ/mol
-#	deltafH		-271.5		kcal/mol
-	-analytic	-2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
-#	Range		0-350
-	-Vm		11.7443 20.8978 -2.4707 -3.6429 -0.038
-#	Extrapol	supcrt92
-#	Ref		SSH97, SK93
-
-3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
-	-llnl_gamma	4.0    
-	log_k		-10.0715
-	-delta_H	25.355		kJ/mol
-#	deltafH		-378.9		kcal/mol
-	-analytic	3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
-#	Range		0-350
-	-Vm		20.0332 41.1373 -10.4257 -4.4796 1.2513
-#	Extrapol	supcrt92
-#	Ref		SSH97, SK93
-   
-Zn+2 + CH3COOH = ZnCH3COO+ + H+
-	-llnl_gamma	4.0    
-	log_k		-3.1519
-	-delta_H	-9.87424	kJ/mol
-#	deltafH		-155.12		kcal/mol
-	-analytic	-7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
-#	Range		0-350
-	-Vm		4.8484 4.06 4.1473 -2.9468 0.41
-#	Extrapol	supcrt92
-#	Ref		SSH97, SK93
- 
-Zn+2 + Cl- = ZnCl+
-	-llnl_gamma	4.0    
-	log_k		0.1986
-	-delta_H	43.317		kJ/mol
-#	deltafH		-66.24		kcal/mol
-	-analytic	1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
-#	Range		0-350
-	-Vm		14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-2 Cl- + Zn+2 = ZnCl2
-	-llnl_gamma	3.0    
-	log_k		0.2507
-	-delta_H	31.1541		kJ/mol
-#	deltafH		-109.08		kcal/mol
-	-analytic	1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
-#	Range		0-350
-	-Vm		-10.1 4.57 241 -2.97 -1e-3 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-3 Cl- + Zn+2 = ZnCl3-
-	-llnl_gamma	4.0    
-	log_k		-0.0198
-	-delta_H	22.5894		kJ/mol
-#	deltafH		-151.06		kcal/mol
-	-analytic	1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
-#	Range		0-350
-	-Vm		0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97
-
-4 Cl- + Zn+2 = ZnCl4-2
-	-llnl_gamma	4.0    
-	log_k		0.8605
-	-delta_H	4.98733		kJ/mol
-#	deltafH		-195.2		kcal/mol
-	-analytic	8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
-#	Range		0-300
-	-Vm		28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
-#	Extrapol	supcrt92
-#	Ref		SSH97?
- 
-Zn+2 + H2O = ZnOH+ + H+
-	-llnl_gamma	4.0    
-	log_k		-8.96
-#	deltafH		-0		kcal/mol
-	-analytic	-7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
-#	Range		25-300
-	-Vm		1.1499 -4.9677 7.6896 -2.5735 0.326
-#	Extrapol	supcrt92, ?
-#	Ref		SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
- 
-Zn+2 + SO4-2 = ZnSO4
-	-llnl_gamma	3.0    
-	log_k		2.3062
-	-delta_H	15.277		kJ/mol
-#	deltafH		-1047.71	kJ/mol
-	-analytic	1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
-#	Range		0-200
-	-Vm		2.51 0 18.8 # APP14
-#	Extrapol	69hel
-#	Ref		WEP+82
- 
-PHASES
-
-#------------
-# 375 solids
-#------------
-
-[(6)(CB)(CB)S]
-	S + O2 = SO2
-	log_k		63.04
-	-analytic	137.16 -0.320465 0 0 0 0.000241
-#	Range		0-350
-	-Vm		16.5
-#	Extrapol	supcrt92
-#	Ref		R01, calculations and fit by N17
-
-[(aro)-O-(aro)]
-	O = 0.5 O2
-	log_k		-20.610681
-	-delta_H	30.240		kcal/mol
-	-analytic	-46.6 0.111 0 0 0 -7.99e-5
-#	Range		0-350
-	-Vm		-2.4
-#	Extrapol	supcrt92
-#	Ref		RH98
-
-Afwillite
-	Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
-	log_k		60.0452
-	-delta_H	-316.059	kJ/mol
-#	deltafH		-1143.31	kcal/mol
-	-analytic	1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
-#	Range		0-300
-	-Vm		129.23 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Akermanite
-	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
-	log_k		45.3190
-	-delta_H	-288.575	kJ/mol
-#	deltafH		-926.497	kcal/mol
-	-analytic	-4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
-#	Range		0-350
-	-Vm		92.81
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Al
-	Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
-	log_k		149.9292
-	-delta_H	-958.059	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
-#	Range		0-300
-	-Vm		9.99 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Al2(SO4)3
-	Al2(SO4)3 = 2 Al+3 + 3 SO4-2
-	log_k		19.0535
-	-delta_H	-364.566	kJ/mol
-#	deltafH		-3441.04	kJ/mol
-	-analytic	-6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
-#	Range		0-300
-	-Vm		126.25 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Alabandite
-	MnS + H+ = HS- + Mn+2
-	log_k		-0.3944
-	-delta_H	-23.3216	kJ/mol
-#	deltafH		-51		kcal/mol
-	-analytic	-1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
-#	Range		0-350
-	-Vm		21.46
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Albite
-	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
-	log_k		2.7645
-	-delta_H	-51.8523	kJ/mol
-#	deltafH		-939.68		kcal/mol
-	-analytic	-1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
-#	Range		0-350
-	-Vm		100.25
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Albite_high
-	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
-	log_k		4.0832
-	-delta_H	-62.8562	kJ/mol
-#	deltafH		-937.05		kcal/mol
-	-analytic	-1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
-#	Range		0-350
-	-Vm		100.25
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Albite_low
-	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
-	log_k		2.7645
-	-delta_H	-51.8523	kJ/mol
-#	deltafH		-939.68		kcal/mol
-	-analytic	-1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
-#	Range		0-350
-	-Vm		100.25
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Alum-K
-	KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
-	log_k		-4.8818
-	-delta_H	14.4139		kJ/mol
-#	deltafH		-1447		kcal/mol
-	-analytic	-8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
-#	Range		0-300
-	-Vm		269.54 # Marion+09
-#	Extrapol	Cp integration
-#	Ref		73bar/kna 
-
-Alunite
-	KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
-	log_k	-0.3479
-	-delta_H	-231.856	kJ/mol
-#	deltafH		-1235.6		kcal/mol
-	-analytic	-6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
-#	Range		0-350
-	-Vm		205.40 # thermo.com.V8.R6+.tdat
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Amesite-14A
-	Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
-	log_k		75.4571
-	-delta_H	-797.098	kJ/mol
-#	deltafH		-2145.67	kcal/mol
-	-analytic	-5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
-#	Range		0-300
-	-Vm		205.4
-#	Extrapol	Cp integration
-#	Ref		78wol
-
-Analcime
-	Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
-	log_k		6.1396
-	-delta_H	-75.844		kJ/mol
-#	deltafH		-3296.86	kJ/mol
-	-analytic	-6.8694 6.6052e-3 9.8260e3 -4.8540 -8.8780e5
-#	Range		0-350
-	-Vm		97.1 # 96.8 in thermo.com.V8.R6+.tdat
-#	Extrapol	supcrt92, Cp integration
-#	Ref		HDN+78, 82joh/flo match but differ from Wilson+06 by 1 log K at 0C, 0 log K a 300C
-
-Andalusite
-	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
-	log_k		15.9445
-	-delta_H	-235.233	kJ/mol
-#	deltafH		-615.866	kcal/mol
-	-analytic	-7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
-#	Range		0-350
-	-Vm		51.53
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C
-
-Andradite
-	Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
-	log_k		33.3352
-	-delta_H	-301.173	kJ/mol
-#	deltafH		-1380.35	kcal/mol
-	-analytic	1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
-#	Range		0-350
-	-Vm		131.85
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Anhydrite
-	CaSO4 = Ca+2 + SO4-2
-	log_k		-4.3064
-	-delta_H	-18.577		kJ/mol
-#	deltafH		-342.76		kcal/mol
-	-analytic	-2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
-#	Range		0-350
-	-Vm		45.94 # thermo.com.V8.R6+.tdat
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Annite
-	KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
-	log_k		29.4693
-	-delta_H	-259.964	kJ/mol
-#	deltafH		-1232.19	kcal/mol
-	-analytic	-4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
-#	Range		0-350
-	-Vm		154.32
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Anorthite
-	CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
-	log_k		26.5780
-	-delta_H	-303.039	kJ/mol
-#	deltafH		-1007.55	kcal/mol
-	-analytic	3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
-#	Range		0-350
-	-Vm		100.79
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Anthophyllite
-	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
-	log_k		66.7965
-	-delta_H	-483.486	kJ/mol
-#	deltafH		-2888.75	kcal/mol
-	-analytic	-1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
-#	Range		0-350
-	-Vm		264.4
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Antigorite
-	Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O 
-	log_k		477.1943
-	-delta_H	-3364.43	kJ/mol
-#	deltafH		-17070.9	kcal/mol
-	-analytic	-8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
-#	Range		0-350
-	-Vm		1749.13
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Aragonite
-	CaCO3 + H+ = Ca+2 + HCO3-
-	log_k		1.9931
-	-delta_H	-25.8027	kJ/mol
-#	deltafH		-288.531	kcal/mol
-	-analytic	-1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
-#	Range		0-325
-	-Vm		34.15 # thermo.com.V8.R6+.tdat
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Arcanite
-	K2SO4 = SO4-2 + 2 K+
-	log_k		-1.8008
-	-delta_H	23.836		kJ/mol
-#	deltafH		-1437.78	kJ/mol
-	-analytic	-1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
-#	Range		0-300
-	-Vm		65.50 # Marion+05
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Artinite
-	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
-	log_k		19.6560
-	-delta_H	-130.432	kJ/mol
-#	deltafH		-698.043	kcal/mol
-	-analytic	-2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
-#	Range		0-350
-	-Vm		96.9 # 97.85 Webmineral.com
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Atacamite
-	Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
-	log_k		14.2836
-	-delta_H	-132.001	kJ/mol
-#	deltafH		-1654.43	kJ/mol
-	-analytic	-2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
-#	Range		0-200
-	-Vm		56.80 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		87woo/gar
-
-Azurite
-	Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
-	log_k		9.1607
-	-delta_H	-122.298	kJ/mol
-#	deltafH		-390.1		kcal/mol
-	-analytic	-4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
-#	Range		0-350
-	-Vm		91.01
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-B
-	B + 1.5 H2O + 0.75 O2 = B(OH)3
-	log_k		109.5654
-	-delta_H	-636.677	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
-#	Range		0-300
-	-Vm		4.386 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-B2O3
-	B2O3 + 3 H2O = 2 B(OH)3
-	log_k		5.5464
-	-delta_H	-18.0548	kJ/mol
-#	deltafH		-1273.5		kJ/mol
-	-analytic	9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
-#	Range		0-300
-	-Vm		28.30 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Bassanite
-	CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
-	log_k		-3.6615
-	-delta_H	-18.711		kJ/mol
-#	deltafH		-1576.89	kJ/mol
-	-analytic	-2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
-#	Range		0-300
-	-Vm		52.31 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Bassetite
-	Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
-	log_k		-17.7240
-	-delta_H	-114.841	kJ/mol
-#	deltafH		-1099.33	kcal/mol
-	-analytic	-5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
-#	Range		0-200
-	-Vm		256.19 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		78lan
-
-Beidellite-Ca
-        Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		5.5914
-	-delta_H	-162.403	kJ/mol
-#	deltafH		-1370.66	kcal/mol
-	-analytic	3.872e1 -1.431e-1 0 0 0 9.036e-5
-#	Range		0-300
-	-Vm		133.081
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C
-
-Beidellite-Fe
-	Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		4.6335
-	-delta_H	-154.65		kJ/mol
-#	deltafH		-1351.1		kcal/mol
-	-analytic	3.641e1 -1.391e-1 0 0 0 8.671e-5
-#	Range		0-300
-	-Vm		134.293
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Beidellite-K
-	K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		5.3088
-	-delta_H	-150.834	kJ/mol
-#	deltafH		-1371.9		kcal/mol
-	-analytic	3.307e1 -1.254e-1 0 0 0 7.660e-5
-#	Range		0-300
-	-Vm		137.214
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C
-
-Beidellite-Mg
-	Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		5.5537
-	-delta_H	-165.455	kJ/mol
-#	deltafH		-1366.89	kcal/mol
-	-analytic	3.750e1 -1.415e-1 0 0 0 8.929e-5
-#	Range		0-300
-	-Vm		132.116
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C
-
-Beidellite-Na
-	Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		5.6473
-	-delta_H	-155.846	kJ/mol
-#	deltafH		-1369.76	kcal/mol
-	-analytic	3.613e1 -1.347e-1 0 0 0 8.470e-5
-#	Range		0-300
-	-Vm		134.522
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C
-
-Berlinite
-	AlPO4 + H+ = Al+3 + HPO4-2
-	log_k		-7.2087
-	-delta_H	-96.6313	kJ/mol
-#	deltafH		-1733.85	kJ/mol
-	-analytic	-2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
-#	Range		0-300
-	-Vm		46.19 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Bieberite
-	CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
-	log_k		-2.5051
-	-delta_H	11.3885		kJ/mol
-#	deltafH		-2980.02	kJ/mol
-	-analytic	-2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
-#	Range		0-300
-	-Vm		147.95 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Bixbyite
-	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
-	log_k		-0.9655
-	-delta_H	-190.545	kJ/mol
-#	deltafH		-958.971	kJ/mol
-	-analytic	-1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
-#	Range		0-300
-	-Vm		31.89 # Webmineral.com, density 4.95
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Boehmite
-	AlO2H + 3 H+ = Al+3 + 2 H2O
-	log_k		7.5642
-	-delta_H	-113.282	kJ/mol
-#	deltafH		-238.24		kcal/mol
-	-analytic	-1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
-#	Range		0-225
-	-Vm		19.535
-#	Extrapol	supcrt92
-#	Ref		HDN+78, 95pok/hel
-
-Borax
-	Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
-	log_k		12.0395
-	-delta_H	80.5145		kJ/mol
-#	deltafH		-6288.44	kJ/mol
-	-analytic	7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
-#	Range		0-300
-	-Vm		222.66 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Boric_acid
-	B(OH)3 = B(OH)3
-	log_k		-0.1583
-	-delta_H	20.2651		kJ/mol
-#	deltafH		-1094.8		kJ/mol
-	-analytic	3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
-#	Range		0-300
-	-Vm		43.09 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Bornite
-	Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
-	log_k		-102.4369
-	-delta_H	530.113		kJ/mol
-#	deltafH		-79.922		kcal/mol
-	-analytic	-7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
-#	Range		0-350
-	-Vm		98.6
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Brezinaite
-	Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
-	log_k		2.7883
-	-delta_H	-216.731	kJ/mol
-#	deltafH		-111.9		kcal/mol
-	-analytic	-7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
-#	Range		0-200
-	-Vm		69.16 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		78vau/cra
-
-Brochantite
-	Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
-	log_k		15.4363
-	-delta_H	-163.158	kJ/mol
-#	deltafH		-2198.72	kJ/mol
-	-analytic	-2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
-#	Range		0-200
-	-Vm		113.60 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87woo/gar
-
-Brucite
-	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
-	log_k		16.2980
-	-delta_H	-111.34		kJ/mol
-#	deltafH		-221.39		kcal/mol
-	-analytic	-1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
-#	Range		0-350
-	-Vm		24.63
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Bunsenite
-	NiO + 2 H+ = H2O + Ni+2
-	log_k		12.4719
-	-delta_H	-100.069	kJ/mol
-#	deltafH		-57.3		kcal/mol
-	-analytic	-8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
-#	Range		0-350
-	-Vm		10.97
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-C
-	C + H2O + O2 = H+ + HCO3-
-	log_k		64.1735
-	-delta_H	-391.961	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
-#	Range		0-350
-	-Vm		5.298
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Ca
-	Ca  +2 H+ + 0.5 O2 = Ca+2 + H2O
-	log_k		139.8465
-	-delta_H	-822.855	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
-#	Range		0-300
-	-Vm		26.19 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Ca-Al_Pyroxene
-	CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
-	log_k		35.9759
-	-delta_H	-361.548	kJ/mol
-#	deltafH		-783.793	kcal/mol
-	-analytic	-1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
-#	Range		0-350
-	-Vm		63.5
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Ca3Al2O6
-	Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
-	log_k		113.0460
-	-delta_H	-833.336	kJ/mol
-#	deltafH		-857.492	kcal/mol
-	-analytic	-2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
-#	Range		0-200
-	-Vm		88.94 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-Ca4Al2Fe2O10
-	Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
-	log_k		140.5050
-	-delta_H	-1139.86	kJ/mol
-#	deltafH		-1211		kcal/mol
-	-analytic	-4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
-#	Range		0-200
-	-Vm		130.28 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-CaAl2O4
-	CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
-	log_k		46.9541
-	-delta_H	-436.952	kJ/mol
-#	deltafH		-555.996	kcal/mol
-	-analytic	-3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
-#	Range		0-300
-	-Vm		53.02 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-CaAl4O7
-	CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
-	log_k		68.6138
-	-delta_H	-718.464	kJ/mol
-#	deltafH		-951.026	kcal/mol
-	-analytic	-3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
-#	Range		0-200
-	-Vm		89.35 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-CaUO4
-	CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
-	log_k		15.9420
-	-delta_H	-131.46		kJ/mol
-#	deltafH		-2002.3		kJ/mol
-	-analytic	-8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
-#	Range		0-300
-	-Vm		45.92 # M13
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-Calcite
-	CaCO3 + H+ = Ca+2 + HCO3-
-	log_k		1.8487
-	-delta_H	-25.7149	kJ/mol
-#	deltafH		-288.552	kcal/mol
-	-analytic	-1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
-#	Range		0-350
-	-Vm		36.934
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Cattierite
-	CoS2 = Co+2 + S2-2
-	log_k		-29.9067
-#	deltafH		-36.589		kcal/mol
-	-analytic	-2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
-#	Range		0-300
-	-Vm		25.53 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		78vau/cra
-
-Celadonite
-	KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
-	log_k		7.4575
-	-delta_H	-74.3957	kJ/mol
-#	deltafH		-1394.9		kcal/mol
-	-analytic	-3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
-#	Range		0-300
-	-Vm		157.1
-#	Extrapol	supcrt92, Cp integration
-#	Ref		HDN+78, 78wol match
-
-Chalcanthite
-	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
-	log_k		-2.6215
-	-delta_H	6.57556		kJ/mol
-#	deltafH		-2279.68	kJ/mol
-	-analytic	-1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
-#	Range		0-200
-	-Vm		108.97 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Chalcedony
-	SiO2 = SiO2
-	log_k		-3.7281
-	-delta_H	31.4093		kJ/mol
-#	deltafH		-217.282	kcal/mol
-	-analytic	-9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
-#	Range		0-350
-	-Vm		22.68
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Chalcocite
-	Cu2S + H+ = HS- + 2 Cu+
-	log_k		-34.7342
-	-delta_H	206.748		kJ/mol
-#	deltafH		-19		kcal/mol
-	-analytic	-1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
-#	Range		0-350
-	-Vm		27.48
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Chalcocyanite
-	CuSO4 = Cu+2 + SO4-2
-        log_k		2.9239
-	-delta_H	-72.5128	kJ/mol
-#	deltafH		-771.4		kJ/mol
-	-analytic	5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
-#	Range		0-200
-	-Vm		40.88 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		CWM89
-
-Chalcopyrite
-	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
-	log_k		-32.5638
-	-delta_H	127.206		kJ/mol
-#	deltafH		-44.453		kcal/mol
-	-analytic	-3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
-#	Range		0-350
-	-Vm		42.83
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Chamosite
-	Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
-	log_k		32.8416
-	-delta_H	-364.213	kJ/mol
-#	deltafH		-902.407	kcal/mol
-	-analytic	1.577e2 -4.614e-1 0 0 0 3.413e-4
-#	Range		0-300
-	-Vm		213.42
-#	Extrapol	supcrt92
-#	Ref		Wilson+06
-
-Chloromagnesite
-	MgCl2 = Mg+2 + 2 Cl-
-	log_k		21.8604
-	-delta_H	-158.802	kJ/mol
-#	deltafH		-641.317	kJ/mol
-	-analytic	-2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
-#	Range		0-300
-	-Vm		40.95 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Chromite
-	FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
-	log_k		15.1685
-	-delta_H	-267.755	kJ/mol
-#	deltafH		-1444.83	kJ/mol
-	-analytic	-1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
-#	Range		0-300
-	-Vm		44.01 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Chrysotile
-	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
-	log_k		31.1254
-	-delta_H	-218.041	kJ/mol
-#	deltafH		-1043.12	kcal/mol
-	-analytic	-9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
-#	Range		0-350
-	-Vm		108.5
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Clinochlore-14A
-	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
-	log_k		67.2391
-	-delta_H	-612.379	kJ/mol
-#	deltafH		-2116.96	kcal/mol
-	-analytic	-2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
-#	Range		0-350
-	-Vm		207.11
-#	Extrapol	supcrt92
-#	Ref		HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C
-
-Clinochlore-7A
-	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
-	log_k		70.6124
-	-delta_H	-628.14		kJ/mol
-#	deltafH		-2113.2		kcal/mol
-	-analytic	-2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
-#	Range		0-350
-	-Vm		211.5
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Clinoptilolite-Ca
-	Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
-	log_k		-7.0095
-	-delta_H	-74.6745	kJ/mol 
-#	deltafH		-4919.84	kcal/mol
-	-analytic	-4.4820e1 5.3696e-2 5.4878e4 -3.1459e1 -7.5491e6
-#	Range		0-300
-	-Vm		625.19 # Webmineral.com, density 2.15
-#	Extrapol	Cp integration
-#	Ref		89db 7
-
-Clinoptilolite-K
-	K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
-	log_k		-10.9485
-	-delta_H	67.4862		kJ/mol
-#	deltafH		-4937.77	kcal/mol
-	-analytic	1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
-#	Range		0-300
-	-Vm		655.93 # Webmineral.com, density 2.15
-#	Extrapol	Cp integration
-#	Ref		89db 7
-
-Clinoptilolite-Na
-	Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
-	log_k		-7.1363
-	-delta_H	2.32824		kJ/mol
-#	deltafH		-4912.36	kcal/mol
-	-analytic	-3.4572e1 6.8377e-2 5.1962e4 -3.3426e1 -7.5586e6
-#	Range		0-300
-	-Vm		629.95 # Webmineral.com, density 2.15
-#	Extrapol	Cp integration
-#	Ref		89db 7
-
-Clinozoisite
-	Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
-	log_k		43.2569
-	-delta_H	-457.755	kJ/mol
-#	deltafH		-1643.78	kcal/mol
-	-analytic	-2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
-#	Range		0-300
-	-Vm		136.2
-#	Extrapol	supcrt92
-#	Ref		HDN+78, SH88
-
-Co
-	Co + 2 H+ + 0.5 O2 = Co+2 + H2O
-	log_k		52.5307
-	-delta_H	-337.929	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
-#	Range		0-300
-	-Vm		6.67 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Co2SiO4
-	Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
-	log_k		6.6808
-	-delta_H	-88.6924	kJ/mol
-#	deltafH		-353.011	kcal/mol
-	-analytic	-3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
-#	Range		0-300
-	-Vm		44.52 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CoCl2
-	CoCl2 = Co+2 + 2 Cl-
-	log_k		8.2641
-	-delta_H	-79.5949	kJ/mol
-#	deltafH		-312.722	kJ/mol
-	-analytic	-2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
-#	Range		0-300
-	-Vm		38.69 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CoCl2:2H2O
-	CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
-        log_k		4.6661
-	-delta_H	-40.7876	kJ/mol
-#	deltafH		-923.206	kJ/mol
-        -analytic	-5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
-#  	Range		0-200
-	-Vm		66.61 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-CoCl2:6H2O
-	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
-	log_k		2.6033
-	-delta_H	8.32709		kJ/mol
-#	deltafH		-2115.67	kJ/mol
-	-analytic	-1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
-#	Range		0-200
-	-Vm		123.66 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-CoFe2O4
-	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
-	log_k		0.8729
-	-delta_H	-160.674	kJ/mol
-#	deltafH		-272.466	kcal/mol
-	-analytic	-3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
-#	Range		0-300
-	-Vm		44 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		74nau/ryz
-
-CoO
-	CoO + 2 H+ = Co+2 + H2O
-	log_k		13.5553
-	-delta_H	-106.05		kJ/mol
-#	deltafH		-237.946	kJ/mol
-	-analytic	-8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
-#	Range		0-300
-	-Vm		11.64 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CoS
-	CoS + H+ = Co+2 + HS-
-	log_k		-7.3740
-	-delta_H	10.1755		kJ/mol
-#	deltafH		-20.182		kcal/mol
-	-analytic	-1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
-#	Range		0-300
-	-Vm		22.91 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		74nau/ryz
-
-CoSO4
-	CoSO4 = Co+2 + SO4-2
-	log_k		2.8996
-	-delta_H	-79.7952	kJ/mol
-#	deltafH		-887.964	kJ/mol
-	-analytic	-1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
-#	Range		0-300
-	-Vm		41.78 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CoSO4:6H2O
-	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
-	log_k		-2.3512
-	-delta_H	1.08483		kJ/mol
-#	deltafH		-2683.87	kJ/mol
-	-analytic	-2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
-#	Range		0-300
-	-Vm		130.30 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CoSO4:H2O
-	CoSO4:H2O = Co+2 + H2O + SO4-2
-	log_k		-1.2111
-	-delta_H	-52.6556	kJ/mol
-#	deltafH		-287.032	kcal/mol
-	-analytic	-1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
-#	Range		0-200
-	-Vm		56.26 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		74nau/ryz
-
-Coesite
-	SiO2 = SiO2
-	log_k		-3.1893
-	-delta_H	28.6144		kJ/mol
-#	deltafH		-216.614	kcal/mol
-	-analytic	-9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
-#	Range		0-350
-	-Vm		20.641
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Coffinite
-	USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
-	log_k		-8.0530
-	-delta_H	-49.2493	kJ/mol
-#	deltafH		-1991.33	kJ/mol
-	-analytic	2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
-#	Range		0-200
-	-Vm		46.12 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H Approx
-#	Ref		92gre/fug
-
-Cordierite_anhyd
-	Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
-	log_k		52.3035
-	-delta_H	-626.219	kJ/mol
-#	deltafH		-2183.2		kcal/mol
-	-analytic	2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
-#	Range		0-350
-	-Vm		233.22
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C
-
-Cordierite_hydr
-	Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
-	log_k		49.8235
-	-delta_H	-608.814	kJ/mol
-#	deltafH		-2255.68	kcal/mol
-	-analytic	-1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
-#	Range		0-350
-	-Vm		241.22
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C
-
-Corundum
-	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
-	log_k		18.3121
-	-delta_H	-258.626	kJ/mol
-#	deltafH		-400.5		kcal/mol
-	-analytic	-1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
-#	Range		0-350
-	-Vm		25.575
-#	Extrapol	supcrt92
-#	Ref		HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag
-
-Covellite
-	CuS + H+ = Cu+2 + HS-
-	log_k		-22.8310
-	-delta_H	101.88		kJ/mol
-#	deltafH		-12.5		kcal/mol
-	-analytic	-1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
-#	Range		0-350
-	-Vm		20.42
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Cr
-	Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
-	log_k		98.6784
-	-delta_H	-658.145	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
-#	Range		0-300
-	-Vm		7.231 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-CrCl3
-	CrCl3 = Cr+3 + 3 Cl-
-	log_k		17.9728
-	-delta_H	-183.227	kJ/mol
-#	deltafH		-556.5		kJ/mol
-	-analytic	-2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
-#	Range		0-300
-	-Vm		57.38 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-CrO2
-	CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
-	log_k		-19.1332
-	-delta_H	85.9812		kJ/mol
-#	deltafH		-143		kcal/mol
-	-analytic	2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
-#	Range		0-200
-	-Vm		16.95 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-CrO3
-	CrO3 + H2O = CrO4-2 + 2 H+
-	log_k		-3.5221
-	-delta_H	-5.78647	kJ/mol
-#	deltafH		-140.9		kcal/mol
-	-analytic	-1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
-#	Range		0-300
-	-Vm		35.14 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		76del/hal
-
-CrS
-	CrS + H+ = Cr+2 + HS-
-	log_k		-0.6304
-	-delta_H	-26.15		kJ/mol
-#	deltafH		-31.9		kcal/mol
-	-analytic	-1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
-#	Range		0-300
-	-Vm		17.33 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		76del/hal
-
-Cristobalite(alpha)
-	SiO2 = SiO2
-	log_k		-3.4488
-	-delta_H	29.2043		kJ/mol
-#	deltafH		-216.755	kcal/mol
-	-analytic	-1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
-#	Range		0-350
-	-Vm		25.74
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Cristobalite(beta)
-	SiO2 = SiO2
-	log_k		-3.0053
-	-delta_H	24.6856		kJ/mol
-#	deltafH		-215.675	kcal/mol
-	-analytic	-4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
-#	Range		0-350
-	-Vm		27.38
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Cronstedtite-7A
-	Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
-	log_k		16.2603
-	-delta_H	-244.266	kJ/mol
-#	deltafH		-697.413	kcal/mol
-	-analytic	-2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
-#	Range		0-300
-	-Vm		110.9 # HDN+78
-#	Extrapol	Cp integration
-#	Ref		78wol
-
-Cu
-	Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
-	log_k		31.5118
-	-delta_H	-214.083	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
-#	Range		0-300
-	-Vm		7.113
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-
-CuCl2
-	CuCl2 = Cu+2 + 2 Cl-
-	log_k		3.7308
-	-delta_H	-48.5965	kJ/mol
-#	deltafH		-219.874	kJ/mol
-	-analytic	-1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
-#	Range		0-200
-	-Vm		39.71 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-CuCr2O4
-	CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
-	log_k		16.2174
-	-delta_H	-268.768	kJ/mol
-#	deltafH		-307.331	kcal/mol
-	-analytic	-1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
-#	Range		0-200
-	-Vm		42.74 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-Cuprite
-	Cu2O + 2 H+ = H2O + 2 Cu+
-	log_k		-1.9031
-	-delta_H	28.355		kJ/mol
-#	deltafH		-40.83		kcal/mol
-	-analytic	-8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
-#	Range		0-350
-	-Vm		23.437
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Daphnite-14A
-	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
-	log_k		52.2821
-	-delta_H	-517.561	kJ/mol
-#	deltafH		-1693.04	kcal/mol
-	-analytic	-1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
-#	Range		0-350
-	-Vm		213.42
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Daphnite-7A
-	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
-	log_k	55.6554
-	-delta_H	-532.326	kJ/mol
-#	deltafH		-1689.51	kcal/mol
-	-analytic	-1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
-#	Range		0-300
-	-Vm		221.2
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Dawsonite
-	NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
-	log_k		4.3464
-	-delta_H	-76.3549	kJ/mol
-#	deltafH		-1963.96	kJ/mol
-	-analytic	-1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
-#	Range		0-200
-	-Vm		59.50 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		RHF79
-
-Delafossite
-	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
-	log_k		-6.4172
-	-delta_H	-18.6104	kJ/mol
-#	deltafH		-126.904	kcal/mol
-	-analytic	-1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
-#	Range		0-300
-	-Vm		27.52 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		74nau/ryz
-
-Diaspore
-	AlHO2 + 3 H+ = Al+3 + 2 H2O
-	log_k		7.1603
-	-delta_H	-110.42		kJ/mol
-#	deltafH		-238.924	kcal/mol
-	-analytic	-1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
-#	Range		0-225
-	-Vm		17.76
-#	Extrapol	supcrt92
-#	Ref		HDN+78, 95pok/hel
-
-Dicalcium_silicate
-	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
-	log_k		37.1725
-	-delta_H	-217.642	kJ/mol
-#	deltafH		-2317.9		kJ/mol
-	-analytic	-5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
-#	Range		0-300
-	-Vm		59.11 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Diopside
-	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
-	log_k		20.9643
-	-delta_H	-133.775	kJ/mol
-#	deltafH		-765.378	kcal/mol
-	-analytic	7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
-#	Range		0-350
-	-Vm		66.09
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Dioptase
-	CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
-	log_k		6.0773
-	-delta_H	-25.2205	kJ/mol
-#	deltafH		-1358.47	kJ/mol
-	-analytic	2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
-#	Range		0-200
-	-Vm		48.24 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87woo/gar
-
-Dolomite
-	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
-	log_k		2.5135
-	-delta_H	-59.9651	kJ/mol
-#	deltafH		-556.631	kcal/mol
-	-analytic	-3.1782e2 -9.8179e-2 1.0845e4 1.2657e2 1.6932e2
-#	Range		0-350
-	-Vm		64.365
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Dolomite-dis
-	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
-	log_k		4.0579
-	-delta_H	-72.2117	kJ/mol
-#	deltafH		-553.704	kcal/mol
-	-analytic	-3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
-#	Range		0-350
-	-Vm		64.39
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Dolomite-ord
-	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
-	log_k		2.5135
-	-delta_H	-59.9651	kJ/mol
-#	deltafH		-556.631	kcal/mol
-	-analytic	-3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
-#	Range		0-350
-	-Vm		64.34
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Enstatite
-	MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
-	log_k		11.3269
-	-delta_H	-82.7302	kJ/mol
-#	deltafH		-369.686	kcal/mol
-	-analytic	-4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
-#	Range		0-350
-	-Vm		31.276
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Epidote
-	Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
-	log_k		32.9296
-	-delta_H	-386.451	kJ/mol
-#	deltafH		-1543.99	kcal/mol
-	-analytic	-2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
-#	Range		0-350
-	-Vm		139.2
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Epidote-ord
-	FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
-	log_k		32.9296
-	-delta_H	-386.351	kJ/mol
-#	deltafH		-1544.02	kcal/mol
-	-analytic	1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
-#	Range		0-350
-	-Vm		139.2
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Eskolaite
-	Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
-	log_k		-9.1306
-	-delta_H	-32.6877	kJ/mol
-#	deltafH		-1139.74	kJ/mol
-	-analytic	-2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
-#	Range		0-300
-	-Vm		29.09 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Ettringite
-	Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
-	log_k		62.5362
-	-delta_H	-382.451	kJ/mol
-#	deltafH		-4193		kcal/mol
-	-analytic	-1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
-#	Range		0-200
-	-Vm		697.28 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-Eu
-	Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
-	log_k		165.1443
-	-delta_H	-1025.08	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
-#	Range		0-300
-	-Vm		28.97 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		85rar 2
-
-Eu(OH)3
-	Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
-	log_k		15.3482
-	-delta_H	-126.897	kJ/mol
-#	deltafH		-1336.04	kJ/mol
-	-analytic	-6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
-#	Range		0-200
-	-Vm		38.44 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87rar 2
-
-Eu2(SO4)3:8H2O
-	Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
-	log_k		-10.8524
-	-delta_H	-86.59		kJ/mol
-#	deltafH		-6139.77	kJ/mol
-	-analytic	-5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
-#	Range		0-200
-	-Vm		245.41 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-Eu2O3(cubic)
-	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
-	log_k		51.7818
-	-delta_H	-406.403	kJ/mol
-#	deltafH		-1661.96	kJ/mol
-	-analytic	-5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
-#	Range		0-200
-	-Vm		48.29 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-Eu2O3(monoclinic)
-	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
-        log_k		53.3936
-	-delta_H	-417.481	kJ/mol
-#	deltafH		-1650.88	kJ/mol
-	-analytic	-5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
-#	Range		0-200
-	-Vm		44.02 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-Eu3O4
-	Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
-        log_k		87.0369
-	-delta_H	-611.249	kJ/mol
-#	deltafH		-2270.56	kJ/mol
-	-analytic	-1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
-#	Range		0-200
-	-Vm		64.15 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-EuCl2
-	EuCl2 = Eu+2 + 2 Cl-
-	log_k		5.9230
-	-delta_H	-39.2617	kJ/mol
-#	deltafH		-822.5		kJ/mol
-	-analytic	-2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
-#	Range		0-200
-	-Vm		45.49 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87rar 2
-
-EuCl3
-	EuCl3 = Eu+3 + 3 Cl-
-	log_k		19.7149
-	-delta_H	-170.861	kJ/mol
-#	deltafH		-935.803	kJ/mol
-	-analytic	3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
-#	Range		0-200
-	-Vm		52.83 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-EuCl3:6H2O
-	EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
-	log_k		4.9090
-	-delta_H	-40.0288	kJ/mol
-#	deltafH		-2781.66	kJ/mol
-	-analytic	-1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
-#	Range		0-200
-	-Vm		151.22 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-EuOCl
-	EuOCl + 2 H+ = Cl- + Eu+3 + H2O
-        log_k		15.6683
-	-delta_H	-147.173	kJ/mol
-#	deltafH		-911.17		kJ/mol
-	-analytic	-7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
-#	Range		0-200
-	-Vm		31.68 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87rar 2
-
-EuS
-	EuS + H+ = Eu+2 + HS-
-	log_k		14.9068
-	-delta_H	-96.4088	kJ/mol
-#	deltafH		-447.302	kJ/mol
-        -analytic	-4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
-#	Range		0-200
-	-Vm		32.03 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-EuSO4
-	EuSO4 = Eu+2 + SO4-2
-        log_k		-8.8449
-	-delta_H	33.873		kJ/mol
-#	deltafH		-1471.08	kJ/mol
-	-analytic	3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
-#	Range		0-200
-	-Vm		49.71 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		85rar 2
-
-Eucryptite
-	LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
-	log_k		13.6106
-	-delta_H	-141.818	kJ/mol
-#	deltafH		-2124.41	kJ/mol
-	-analytic	-2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
-#	Range		0-300
-	-Vm		53.63 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Fayalite
-	Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
-	log_k		19.1113
-	-delta_H	-152.256	kJ/mol
-#	deltafH		-354.119	kcal/mol
-	-analytic	1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
-#	Range		0-350
-	-Vm		46.39
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Fe
-	Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
-	log_k		59.0325
-	-delta_H	-372.029	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
-#	Range		0-350
-	-Vm		7.092 # thermo.com.V8.R6+.tdat
-#	Extrapol	supcrt92
-#	Ref		RHF79
-
-Fe(OH)2
-	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
-	log_k		13.9045
-	-delta_H	-95.4089	kJ/mol
-#	deltafH		-568.525	kJ/mol
-	-analytic	-8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
-#	Range		0-300
-	-Vm		26.43 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Fe(OH)3
-	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
-	log_k		5.6556
-	-delta_H	-84.0824	kJ/mol
-#	deltafH		-823.013	kJ/mol
-        -analytic	-1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
-#	Range		0-300
-	-Vm		34.36 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Fe2(SO4)3
-	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
-	log_k		3.2058
-	-delta_H	-250.806	kJ/mol
-#	deltafH		-2577.16	kJ/mol
-	-analytic	-5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
-#	Range		0-300
-	-Vm		130.77 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79	
-
-FeO
-	FeO + 2 H+ = Fe+2 + H2O
-	log_k		13.5318
-	-delta_H	-106.052	kJ/mol
-#	deltafH		-65.02		kcal/mol
-	-analytic	-7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
-#	Range		0-350
-	-Vm		12
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-FeSO4
-	FeSO4 = Fe+2 + SO4-2
-	log_k		2.6565
-	-delta_H	-73.0878	kJ/mol
-#	deltafH		-928.771	kJ/mol
-	-analytic	-2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
-#	Range		0-300
-	-Vm		41.58 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Ferrite-Ca
-	CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
-	log_k		21.5217
-	-delta_H	-264.738	kJ/mol
-#	deltafH		-363.494	kcal/mol
-        -analytic	-2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
-#	Range		0-300
-	-Vm		44.98 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Ferrite-Cu
-	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
-	log_k		10.3160
-	-delta_H	-211.647	kJ/mol
-#	deltafH		-965.178	kJ/mol
-	-analytic	-3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
-#	Range		0-300
-	-Vm		44.53 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Ferrite-Dicalcium
-	Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
-	log_k		56.8331
-	-delta_H	-475.261	kJ/mol
-#	deltafH		-2139.26	kJ/mol
-	-analytic	-3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
-#	Range		0-300
-	-Vm		67.18 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Ferrite-Mg
-	MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
-	log_k		21.0551
-	-delta_H	-280.056	kJ/mol
-#	deltafH		-1428.42	kJ/mol
-	-analytic	-2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
-#	Range		0-300
-	-Vm		44.57 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Ferrite-Zn
-	ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
-	log_k		11.7342
-	-delta_H	-226.609	kJ/mol
-#	deltafH		-1169.29	kJ/mol
-	-analytic	-2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
-#	Range		0-300
-	-Vm		45.23 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Ferrosilite
-	FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
-	log_k		7.4471
-	-delta_H	-60.6011	kJ/mol
-#	deltafH		-285.658	kcal/mol
-	-analytic	9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
-#	Range		0-350
-	-Vm		32.952
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Forsterite
-	Mg2SiO4 + 4 H+ =  SiO2 + 2 H2O + 2 Mg+2
-	log_k		27.8626
-	-delta_H	-205.614	kJ/mol
-#	deltafH		-520		kcal/mol
-	-analytic	-7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
-#	Range		0-350
-	-Vm		43.79
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Foshagite
-	Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
-	log_k		65.9210
-	-delta_H	-359.839	kJ/mol
-#	deltafH		-1438.27	kcal/mol
-	-analytic	2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
-#	Range		0-300
-	-Vm		154.23 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-
-Gd
-	Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
-	log_k		180.7573
-	-delta_H	-1106.67	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
-#	Range		0-300
-	-Vm		19.89 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Gehlenite
-	Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
-	log_k		56.2997
-	-delta_H	-489.934	kJ/mol
-#	deltafH		-951.225	kcal/mol
-	-analytic	-2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
-#	Range		0-350
-	-Vm		90.24
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Gibbsite
-	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
-	log_k		7.7560
-	-delta_H	-102.788	kJ/mol
-#	deltafH		-309.065	kcal/mol
-	-analytic	-1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
-#	Range		0-150
-	-Vm		31.956
-#	Extrapol	supcrt92
-#	Ref		HDN+78, 95pok/hel
-
-Goethite
-	FeOOH + 3 H+ = Fe+3 + 2 H2O
-	log_k		0.5345
-	-delta_H	-61.9291	kJ/mol
-#	deltafH		-559.328	kJ/mol
-	-analytic	-6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
-#	Range		0-200
-	-Vm		20.82
-#	Extrapol	supcrt92, Constant H approx
-#	Ref		Sho09, MLS+03, RHF79 match
-
-Greenalite
-	Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
-	log_k		22.6701
-	-delta_H	-165.297	kJ/mol
-#	deltafH		-787.778	kcal/mol
-	-analytic	-1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
-#	Range		0-350
-	-Vm		115
-#	Extrapol	supcrt92
-#	Ref		HDN+78, 78wol, Wilson+06 match
-
-Grossular
-	Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
-	log_k		51.9228
-	-delta_H	-432.006	kJ/mol
-#	deltafH		-1582.74	kcal/mol
-	-analytic	2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
-#	Range		0-350
-	-Vm		125.3
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Gypsum
-	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
-	log_k		-4.4823
-	-delta_H	-1.66746	kJ/mol
-#	deltafH		-2022.69	kJ/mol
-	-analytic	-2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
-#	Range		0-300
-	-Vm		74.69 # Marion+05
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Gyrolite
-	Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
-	log_k		22.9099
-	-delta_H	-82.862		kJ/mol
-#	deltafH		-1176.55	kcal/mol
-	-analytic	-2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
-#	-Range		0-300
-	-Vm		136.85 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Halite
-	NaCl = Cl- + Na+
-	log_k		1.5855
-	-delta_H	3.7405		kJ/mol
-#	deltafH		-98.26		kcal/mol
-	-analytic	-1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
-#	Range		0-350
-	-Vm		27.015
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Hatrurite
-	Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
-	log_k		73.4056
-	-delta_H	-434.684	kJ/mol
-#	deltafH		-700.234	kcal/mol
-	-analytic	-4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
-#	Range		0-300
-	-Vm		75.60 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Hausmannite
-	Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
-	log_k		10.1598
-	-delta_H	-268.121	kJ/mol
-#	deltafH		-1387.83	kJ/mol
-	-analytic	-2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
-#	Range		0-300
-	-Vm		48.07 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Heazlewoodite
-	Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
-	log_k		28.2477
-	-delta_H	-270.897	kJ/mol
-#	deltafH		-203.012	kJ/mol
-	-analytic	-3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
-#	Range		0-300
-	-Vm		40.95 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Hedenbergite
-	CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
-	log_k		19.6060
-	-delta_H	-124.507	kJ/mol
-#	deltafH		-678.276	kcal/mol
-	-analytic	-1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
-#	Range		0-350
-	-Vm		68.27
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Hematite
-	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
-	log_k		0.1086
-	-delta_H	-129.415	kJ/mol
-#	deltafH		-197.72		kcal/mol
-	-analytic	-2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
-#	Range		0-350
-	-Vm		30.274
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Hercynite
-	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
-	log_k		28.8484
-	-delta_H	-345.961	kJ/mol
-#	deltafH		-1966.45	kJ/mol
-	-analytic	-3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
-#	Range		0-300
-	-Vm		40.75 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Hillebrandite
-	Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
-	log_k		36.8190
-	-delta_H	-203.074	kJ/mol
-#	deltafH		-637.404	kcal/mol
-	-analytic	-1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
-#	Range		0-300
-	-Vm		71.79 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Huntite
-	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
-	log_k		10.3010
-	-delta_H	-171.096	kJ/mol
-#	deltafH		-1082.6		kcal/mol
-	-analytic	-6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
-#	Range		0-350
-	-Vm		122.9
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Hydromagnesite
-	Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
-	log_k		30.8539
-	-delta_H	-289.696	kJ/mol
-#	deltafH		-1557.09	kcal/mol
-	-analytic	-7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
-#	Range		0-350
-	-Vm		208.8
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Hydrophilite
-	CaCl2 = Ca+2 + 2 Cl-
-	log_k		11.7916
-	-delta_H	-81.4545	kJ/mol
-#	deltafH		-795.788	kJ/mol
-	-analytic	-2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
-#	Range		0-300
-	-Vm		49.99 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Hydroxyapatite
-	Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
-	log_k		-3.0746
-	-delta_H	-191.982	kJ/mol
-#	deltafH		-6685.52	kJ/mol
-	-analytic	-8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
-#	Range		0-300
-	-Vm		128.9
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Ice
-	H2O = H2O
-	log_k		0.1387
-	-delta_H	6.74879		kJ/mol
-#	deltafH		-69.93		kcal/mol
-	-analytic	-2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
-#	Range		0-200
-	-Vm		19.635 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		87kee/rup
-
-Ilmenite
-	FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
-	log_k		0.9046
-#	deltafH		-1236.65	kJ/mol
-	-Vm		32.15 # Webmineral.com
-#	Ref		RHF79
-
-Jadeite
-	NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
-	log_k		8.3888
-	-delta_H	-84.4415	kJ/mol
-#	deltafH		-722.116	kcal/mol
-	-analytic	1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
-#	Range		0-350
-	-Vm		60.4
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Jarosite
-	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
-	log_k		-9.3706
-	-delta_H	-191.343	kJ/mol
-#	deltafH		-894.79		kcal/mol
-	-analytic	-1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
-#	Range		0-200
-	-Vm		162.07 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		75kas/bor
-
-K
-	K + H+ + 0.25 O2 = 0.5 H2O + K+
-	log_k		70.9861
-	-delta_H	-392.055	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
-#	Range		0-300
-	-Vm		45.94 # Webelements.com
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-K-Feldspar
-	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
-	log_k		-0.2753
-	-delta_H	-23.9408	kJ/mol
-#	deltafH		-949.188	kcal/mol
-	-analytic	-1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
-#	Range		0-350
-	-Vm		108.87
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-K2O
-	K2O + 2 H+ = H2O + 2 K+
-	log_k		84.0405
-	-delta_H	-427.006	kJ/mol
-#	deltafH		-86.8		kcal/mol
-	-analytic	-1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
-#	Range		0-350
-	-Vm		40.085 # gfw/density
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-KAl(SO4)2
-	KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
-	log_k		3.3647
-	-delta_H	-139.485	kJ/mol
-#	deltafH		-2470.29	kJ/mol
-	-analytic	-4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
-#	Range		0-300
-	-Vm		146.71 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Kalsilite
-	KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
-	log_k		10.8987
-	-delta_H	-108.583	kJ/mol
-#	deltafH		-509.408	kcal/mol
-	-analytic	-6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
-#	Range		0-350
-	-Vm		59.89
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Kaolinite
-	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
-	log_k		6.8101
-	-delta_H	-151.779	kJ/mol
-#	deltafH		-982.221	kcal/mol
-	-analytic	1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
-#	Range		0-350
-	-Vm		99.52
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C
-
-KerogenC128
-	C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
-	log_k		10740.654
-	-delta_H	-14623.902	kcal/mol
-	-analytic	23405.37 -54.726 0 0 0 0.041
-#	Range		0-350
-	-Vm		1320.7
-#	Extrapol	supcrt92
-#	Ref		RH98, Hel+09
-
-KerogenC292
-	C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
-	log_k		27153.69
-	-delta_H	-36994.127	kcal/mol
-	-analytic	59184.26 -138.37 0 0 0 0.10
-#	Range		0-350
-	-Vm		3398.2
-#	Extrapol	supcrt92
-#	Ref		RH98, Hel+09
-
-KerogenC515
-	C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
-	log_k		48112.16
-	-delta_H 	-65346.703	kcal/mol
-	-analytic	104660.55 -244.27 0 0 0 0.183
-#	Range		0-350
-	-Vm		6989.3
-#	Extrapol	supcrt92
-#	Ref		RH98, Hel+09
-
-Kyanite
-	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
-	log_k		15.6740
-	-delta_H	-230.919	kJ/mol
-#	deltafH		-616.897	kcal/mol
-	-analytic	-7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
-#	Range		0-175
-	-Vm		44.09
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Larnite
-	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
-	log_k		38.4665
-	-delta_H	-227.061	kJ/mol
-#	deltafH		-551.74		kcal/mol
-	-analytic	2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
-#	Range		0-300
-	-Vm		51.6 # HDN+78
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Laumontite
-	CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O
-	log_k		13.6667
-	-delta_H	-184.657	kJ/mol
-#	deltafH		-1728.66	kcal/mol
-	-analytic	1.1904 8.1763e-3 1.9005e4 -1.4561e1 -1.5851e6
-#	Range		0-350
-	-Vm		207.55
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 1.7 log K at 0C, 0.1 log K at 350C
-
-Lawrencite
-	FeCl2 = Fe+2 + 2 Cl-
-	log_k		9.0945
-	-delta_H	-84.7665	kJ/mol
-#	deltafH		-341.65		kJ/mol
-	-analytic	-2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
-#	Range		0-300
-	-Vm		40.31 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Lawsonite
-	CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
-	log_k		22.2132
-	-delta_H	-244.806	kJ/mol
-#	deltafH		-1158.1		kcal/mol
-	-analytic	1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
-#	Range		0-350
-	-Vm		101.32
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Li
-	Li + H+ +0.25 O2 = 0.5 H2O + Li+
-	log_k		72.7622
-	-delta_H	-418.339	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
-#	Range		0-300
-	-Vm		13.017 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Lime
-	CaO + 2 H+ = Ca+2 + H2O
-	log_k		32.5761
-	-delta_H	-193.832	kJ/mol
-#	deltafH		-151.79		kcal/mol
-	-analytic	-7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
-#	Range		0-350
-	-Vm		16.764
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Linnaeite
-	Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
-	log_k		-106.9017
-	-delta_H	420.534		kJ/mol
-#	deltafH		-85.81		kcal/mol
-	-analytic	-6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
-#	Range		0-300
-	-Vm		63.55 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		78vau/cra
-
-Lizardite
-	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
-	log_k		30.560
-	-analytic	7.886e1 -2.108e-1 0 0 0 1.637e-4
-#	Range		0-300
-	-Vm		107.31
-#	Extrapol	supcrt92
-#	Ref		Wilson+06
-
-Lopezite
-	K2Cr2O7 + H2O =  2 CrO4-2 + 2 H+ + 2 K+
-	log_k		-17.4366
-	-delta_H	81.9227		kJ/mol
-#	deltafH		-493.003	kcal/mol
-	-analytic	7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
-#	Range		0-200
-	-Vm		109.93 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H Approx
-#	Ref		76del/hal
-
-Magnesiochromite
-	MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
-	log_k		21.6927
-	-delta_H	-302.689	kJ/mol
-#	deltafH		-1783.6		kJ/mol
-	-analytic	-1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
-#	Range		0-200
-	-Vm		43.564 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H Approx
-#	Ref		WEP+82
-
-Magnesite
-	MgCO3 + H+ = HCO3- + Mg+2
-	log_k		2.2936
-	-delta_H	-44.4968	kJ/mol
-#	deltafH		-265.63		kcal/mol
-	-analytic	-1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
-#	Range		0-350
-	-Vm		28.018
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Magnetite
-	Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
-	log_k		10.4724
-	-delta_H	-216.597	kJ/mol
-#	deltafH		-267.25		kcal/mol
-	-analytic	-3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
-#	Range		0-350
-	-Vm		44.524
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Malachite
-	Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
-	log_k		5.9399
-	-delta_H	-76.2827	kJ/mol
-#	deltafH		-251.9		kcal/mol
-	-analytic	-2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
-#	Range		0-350
-	-Vm		54.86
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Manganosite
-	MnO + 2 H+ = H2O + Mn+2
-	log_k		17.9240
-	-delta_H	-121.215	kJ/mol
-#	deltafH		-92.07		kcal/mol
-	-analytic	-8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
-#	Range		0-350
-	-Vm		13.221
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Margarite
-	CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
-	log_k		41.0658
-	-delta_H	-522.192	kJ/mol
-#	deltafH		-1485.8		kcal/mol
-	-analytic	-2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
-#	Range		0-350
-	-Vm		129.4
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C
-
-Maximum_Microcline
-	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
-	log_k		-0.2753
-	-delta_H	-23.9408	kJ/mol
-#	deltafH		-949.188	kcal/mol
-	-analytic	-9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
-#	Range		0-350
-	-Vm		108.741
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Mayenite
-	Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
-	log_k		494.2199
-	-delta_H	-4056.77	kJ/mol
-#	deltafH		-4644		kcal/mol
-	-analytic	-1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
-#	Range		0-200
-	-Vm		517.41 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-Melanterite
-	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
-	log_k		-2.3490
-	-delta_H	11.7509		kJ/mol
-#	deltafH		-3014.48	kJ/mol
-	-analytic	-2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
-#	Range		0-300
-	-Vm		146.48 # Marion+08
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Merwinite
-	MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
-	log_k		68.5140
-	-delta_H	-430.069	kJ/mol
-#	deltafH		-1090.8		kcal/mol
-	-analytic	-2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
-#	Range		0-350
-	-Vm		104.4
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Mesolite
-	Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
-	log_k		13.6191
-	-delta_H	-179.744	kJ/mol
-#	deltafH		-5947.05	kJ/mol
-	-analytic	7.1993 5.9356e-3 1.4717e4 -1.3627e1 -9.8863e5
-#	Range		0-300
-	-Vm		171.2 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		89db 6
-
-Mg
-	Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
-	log_k		122.5365
-	-delta_H	-745.731	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
-#	Range		0-300
-	-Vm		13.996 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-MgOHCl
-	MgOHCl + H+ = Cl- + H2O + Mg+2
-	log_k		15.9138
-	-delta_H	-118.897	kJ/mol
-#	deltafH		-191.2		kcal/mol
-	-analytic	-1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
-#	Range		0-300
-	-Vm		33.23 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		73bar/kna
-
-MgSO4
-	MgSO4 = Mg+2 + SO4-2
-	log_k		4.8781
-	-delta_H	-90.6421	kJ/mol
-#	deltafH		-1284.92	kJ/mol
-	-analytic	-2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
-#	Range		0-300
-	-Vm		45.25 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Millerite
-	NiS + H+ = HS- + Ni+2
-	log_k		-8.0345
-	-delta_H	12.089		kJ/mol
-#	deltafH		-82.171		kJ/mol
-	-analytic	-1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
-#	Range		0-300
-	-Vm		16.89 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Minnesotaite
-	Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
-	log_k		13.9805
-	-delta_H	-105.211	kJ/mol
-#	deltafH		-1153.37	kcal/mol
-	-analytic	-1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
-#	Range		0-300
-	-Vm		147.86 # HDN+78
-#	Extrapol	Cp integration
-#	Ref		78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C
-
-Mirabilite
-	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
-	log_k		-1.1398
-	-delta_H	79.4128		kJ/mol
-#	deltafH		-4328		kJ/mol
-	-analytic	-2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
-#	Range		0-200
-	-Vm		219.80 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		RHF79
-
-Mn
-	Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
-	log_k		82.9505
-	-delta_H	-500.369	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
-#	Range		0-300
-	-Vm		7.354 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Mn(OH)2(am)
-	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
-	log_k		15.3102
-	-delta_H	-97.1779	kJ/mol
-#	deltafH		-695.096	kJ/mol
-	-analytic	-7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
-#	Range		0-200
-	-Vm		22.36 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-MnCl2:2H2O
-	MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
-	log_k		4.0067
-	-delta_H	-34.4222	kJ/mol
-#	deltafH		-1092.01	kJ/mol
-	-analytic	-6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
-#	Range		0-200
-	-Vm		71.12 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-MnCl2:4H2O
-	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
-	log_k		2.7563
-	-delta_H	-10.7019	kJ/mol
-#	deltafH		-1687.41	kJ/mol
-	-analytic	-1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
-#	Range		0-200
-	-Vm		98.46 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-MnCl2:H2O
-	MnCl2:H2O = H2O + Mn+2 + 2 Cl-
-	log_k		5.5517
-	-delta_H	-50.8019	kJ/mol
-#	deltafH		-789.793	kJ/mol
-	-analytic	-4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
-#	Range		0-200
-	-Vm		42.27 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-MnSO4
-	MnSO4 = Mn+2 + SO4-2
-	log_k		2.6561
-	-delta_H	-64.8718	kJ/mol
-#	deltafH		-1065.33	kJ/mol
-	-analytic	-2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
-#	Range		0-300
-	-Vm		46.46 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Mo
-	Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
-	log_k		109.3230
-	-delta_H	-693.845	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
-#	Range		0-300
-	-Vm		9.387 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Molysite
-	FeCl3 = Fe+3 + 3 Cl-
-	log_k		13.5517
-	-delta_H	-151.579	kJ/mol
-#	deltafH		-399.24		kJ/mol
-	-analytic	-3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
-#	Range		0-300
-	-Vm		55.86 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Monohydrocalcite
-	CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
-	log_k		2.6824
-	-delta_H	-20.5648	kJ/mol
-#	deltafH		-1498.29	kJ/mol
-	-analytic	-7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
-#	Range		0-200
-	-Vm		49.62 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		RHF79
-
-Monticellite
-	CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
-	log_k		29.5852
-	-delta_H	-195.711	kJ/mol
-#	deltafH		-540.8		kcal/mol
-	-analytic	1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
-#	Range		0-300
-	-Vm		51.47
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Montmor-Ca
-	Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
-	log_k		2.4952
-	-delta_H	-100.154	kJ/mol
-#	deltafH		-1361.5		kcal/mol
-	-analytic	2.459e1	-9.080e-2 0 0 0 5.223e-5
-#	Range		0-300
-	-Vm		136.007
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 88db 3 match
-
-Montmor-K
-	K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
-	log_k		2.1423
-	-delta_H	-88.184		kJ/mol
-#	deltafH		-1362.83	kcal/mol
-	-analytic	2.022e1	-7.624e-2 0 0 0	4.102e-5
-#	Range		0-300
-	-Vm		140.140
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 88db 3 match
-
-Montmor-Mg
-	Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
-	log_k		2.3879
-	-delta_H	-102.608	kJ/mol
-#	deltafH		-1357.87	kcal/mol
-	-analytic	2.381e1 -9.031e-2 0 0 0 5.203e-5
-#	Range		0-300
-	-Vm		135.042
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 88db 3 match
-
-Montmor-Na
-	Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
-	log_k		2.4844
-	-delta_H	-93.2165	kJ/mol
-#	deltafH		-1360.69	kcal/mol
-	-analytic	2.348e1	-8.604e-2 0 0 0 4.951e-5
-#	Range		0-300
-	-Vm		137.449
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C
-
-Mordenite
-	Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
-	log_k		-5.1969
-	-delta_H	16.7517		kJ/mol
-#	deltafH		-6736.64	kJ/mol
-	-analytic	-5.4675e1 3.2513e-2 2.3412e4 -1.0419 -3.2292e6
-#	Range		0-300
-	-Vm		209.90 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		91joh/tas
-
-Morenosite
-	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
-	log_k		-2.0140
-	-delta_H	12.0185		kJ/mol
-#	deltafH		-2976.46	kJ/mol
-	-analytic	-2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
-#	Range		0-300
-	-Vm		144.17 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Muscovite
-	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
-	log_k		13.5858
-	-delta_H	-243.224	kJ/mol
-#	deltafH		-1427.41	kcal/mol
-	-analytic	3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
-#	Range		0-350
-	-Vm		140.71
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Na
-	Na + H+ + 0.25 O2 = 0.5 H2O + Na+
-	log_k		67.3804
-	-delta_H	-380.185	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
-#	Range		0-300
-	-Vm		23.812 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Na2CO3
-	Na2CO3 + H+ = HCO3- + 2 Na+
-	log_k		11.1822
-	-delta_H	-39.8526	kJ/mol
-#	deltafH		-1130.68	kJ/mol
-	-analytic	-1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
-#	Range		0-300
-	-Vm		41.86 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Na2CO3:7H2O
-	Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
-	log_k		9.9459
-	-delta_H	27.7881		kJ/mol
-#	deltafH		-3199.19	kJ/mol
-	-analytic	-2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
-#	Range		0-200
-	-Vm		153.71 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Na2Cr2O7
-	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
-	log_k		-10.1597
-	-delta_H	21.9702		kJ/mol
-#	deltafH		-473		kcal/mol
-	-analytic	4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
-#	Range		0-200
-	-Vm		103.96 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-Na2CrO4
-	Na2CrO4 = CrO4-2 + 2 Na+
-	log_k		2.9103
-	-delta_H	-19.5225	kJ/mol
-#	deltafH		-320.8		kcal/mol
-	-analytic	5.4985 -9.9008e-3 1.0510e2
-#	Range		0-200
-	-Vm		59.48 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-Na2O
-	Na2O + 2 H+ = H2O + 2 Na+
-	log_k		67.4269
-	-delta_H	-351.636	kJ/mol
-#	deltafH		-99.14		kcal/mol
-	-analytic	-6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
-#	Range		0-350
-	-Vm		25
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Na2SiO3
-	Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
-	log_k		22.2418
-	-delta_H	-82.7093	kJ/mol
-#	deltafH		-373.19		kcal/mol
-	-analytic	-3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
-#	Range		0-300
-	-Vm		50.86 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		73bar/kna
-
-Na2U2O7
-	Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
-	log_k		22.5917
-	-delta_H	-172.314	kJ/mol
-#	deltafH		-3203.8		kJ/mol
-	-analytic	-8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
-#	Range		0-300
-	-Vm		95.34 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-NaFeO2
-	NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
-	log_k		19.8899
-	-delta_H	-163.339	kJ/mol
-#	deltafH		-698.218	kJ/mol
-	-analytic	-7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
-#	Range		0-200
-	-Vm		33.48 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-NaUO3
-	NaUO3 + 2 H+ = H2O + Na+ + UO2+
-	log_k		8.3371
-	-delta_H	-56.365		kJ/mol
-#	deltafH		-1494.9		kJ/mol
-	-analytic	-3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
-#	Range		0-300
-	-Vm		42.56 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-Nahcolite
-	NaHCO3 = HCO3- + Na+
-	log_k		-0.1118
-	-delta_H	17.0247		kJ/mol
-#	deltafH		-226.4		kcal/mol
-	-analytic	-2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
-#	Range		0-300
-	-Vm		38.62 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		73bar/kna
-
-Nantokite
-	CuCl = Cl- + Cu+
-	log_k	-6.7623
-	-delta_H	41.9296		kJ/mol
-#	deltafH		-137.329	kJ/mol
-	-analytic	-2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
-#	Range		0-200
-	-Vm		23.92 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Natrolite
-	Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
-	log_k		18.5204
-	-delta_H	-186.971	kJ/mol
-#	deltafH		-5718.56	kJ/mol
-	-analytic	-2.7712e1 -2.7963e-3 1.6075e4 1.5332 -9.5765e5
-#	Range		0-300
-	-Vm		169.72 # HDN+78
-#	Extrapol	Cp integration
-#	Ref		83joh/flo
-
-Natron
-	Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
-	log_k		9.6102
-	-delta_H	50.4781		kJ/mol
-#	deltafH		-4079.39	kJ/mol
-	-analytic	-1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
-#	Range		0-300
-	-Vm		195.99 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Natrosilite
-	Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
-	log_k		18.1337
-	-delta_H	-51.7686	kJ/mol
-#	deltafH		-590.36		kcal/mol
-	-analytic	-2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
-#	Range		0-300
-	-Vm		72.57 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		77bar/kna
-
-Nepheline
-	NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
-	log_k		13.8006
-	-delta_H	-135.068	kJ/mol
-#	deltafH		-500.241	kcal/mol
-	-analytic	-2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
-#	Range		0-350
-	-Vm		54.16
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Nesquehonite
-	MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
-	log_k		4.9955
-	-delta_H	-36.1498	kJ/mol
-#	deltafH		-472.576	kcal/mol
-	-analytic	1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
-#	Range		0-50
-	-Vm		74.79
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-NH4Cl 
-	NH4Cl = NH4+ + Cl-
-	log_k		1.3252
-	-analytic	-3.078 1.550e-2 0 0 0 -3.451e-6  
-#	Range		0-30
-	-Vm		34.96
-#	Extrapol	Marion+12
-#	Ref		Marion+12, WangLi11 match 
-
-NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
-	NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
-	log_k		-2.7243
-	-analytic	-7.434e1 3.080e-1 0 0 0 -2.270e-4
-#	Range		25-325
-	-Vm		114.78 # Webmineral.com (Hovis04: 109.08-112.23)
-#	Extrapol	N17
-#	Ref		Wat81
-
-NH4HCO3
-	NH4HCO3 = NH4+ + HCO3-
-	log_k		-0.0207
-	-analytic	-1.587e1 9.703e-2 0 0 0 -1.472e-4
-#	Range		0-40
-	-Vm		50.04
-#	Extrapol	Marion+12
-#	Ref		Marion+12
-
-NH4-muscovite # Tobelite
-	NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
-	log_k		6.8109
-	-analytical	-6.638e1 3.170e-1 0 0 0 -2.386e-4
-#	Range		25-325
-	-Vm		146.07 # Hovis04
-#	Extrapol	N17
-#	Ref		Wat81
-
-Ni
-	Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
-	log_k		50.9914
-	-delta_H	-333.745	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
-#	Range		0-350
-	-Vm		6.588
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Ni(OH)2
-	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
-	log_k		12.7485
-	-delta_H	-95.6523	kJ/mol
-#	deltafH		-529.998	kJ/mol
-	-analytic	-6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
-#	Range		0-200
-	-Vm		22.34 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Ni2SiO4
-	Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
-	log_k		14.3416
-	-delta_H	-127.629	kJ/mol
-#	deltafH		-341.705	kcal/mol
-	-analytic	-4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
-#	Range		0-300
-	-Vm		42.61 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		74nau/ryz
-
-NiCl2
-	NiCl2 = Ni+2 + 2 Cl-
-	log_k		8.6113
-	-delta_H	-82.7969	kJ/mol
-#	deltafH		-305.336	kJ/mol
-	-analytic	-1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
-#	Range		0-200
-	-Vm		36.70 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-NiCl2:2H2O
-	NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
-	log_k		3.9327
-	-delta_H	-37.6746	kJ/mol
-#	deltafH		-922.135	kJ/mol
-	-analytic	-4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
-#	Range		0-200
-	-Vm		64.07 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-NiSO4
-	NiSO4 = Ni+2 + SO4-2
-	log_k		5.3197
-	-delta_H	-90.5092	kJ/mol
-#	deltafH		-873.066	kJ/mol
-	-analytic	-1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
-#	Range		0-300
-	-Vm		42.05 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-NiSO4:6H2O(alpha)
-	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
-	log_k		-2.0072
-	-delta_H	4.37983		kJ/mol
-#	deltafH		-2682.99	kJ/mol
-	-analytic	-1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
-#	Range		0-200
-	-Vm		126.6 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Nickelbischofite
-	NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
-	log_k		3.1681
-	-delta_H	0.064088	kJ/mol
-#	deltafH		-2103.23	kJ/mol
-	-analytic	-1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
-#	Range		0-200
-	-Vm		123.15 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Ningyoite
-	CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
-	log_k		-29.7931
-	-delta_H	-36.4769	kJ/mol
-#	deltafH		-1016.65	kcal/mol
-	-analytic	-1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
-#	Range		0-200
-	-Vm		116.77 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		78lan
-
-Niter
-	KNO3 = K+ + NO3-
-	log_k		-0.2061
-	-delta_H	35.4794		kJ/mol
-#	deltafH		-494.46		kJ/mol
-	-analytic	-6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
-#	Range		0-300
-	-Vm		48.04 # Marion+05
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Nontronite-Ca
-	Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		-11.5822
-	-delta_H	-38.138		kJ/mol
-#	deltafH		-1166.7		kcal/mol
-	-analytic	3.697 -4.892e-2 0 0 0 1.489e-5
-#	Range		0-300
-	-Vm		137.780
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C
-
-Nontronite-K
-	K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		-11.8648
-	-delta_H	-26.5822	kJ/mol
-#	deltafH		-1167.93	kcal/mol
-	-analytic	-1.959 -3.115e-2 0 0 0 1.139e-6
-#	Range		0-300
-	-Vm		141.913
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C
-
-Nontronite-Mg
-	Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		-11.6200
-	-delta_H	-41.1779	kJ/mol
-#	deltafH		-1162.93	kcal/mol
-	-analytic	2.476 -4.730e-2 0 0 0 1.382e-5
-#	Range		0-300
-	-Vm		136.815
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol
-
-Nontronite-Na
-	Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
-	log_k		-11.5263
-	-delta_H	-31.5687	kJ/mol
-#	deltafH		-1165.8		kcal/mol
-	-analytic	1.106 -4.045e-2 0 0 0 9.229e-6
-#	Range		0-300
-	-Vm		139.221
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C
-
-Okenite
-	CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
-	log_k		10.3816
-	-delta_H	-19.4974	kJ/mol
-#	deltafH		-749.641	kcal/mol
-	-analytic	-7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
-#	Range		0-300
-	-Vm		94.77 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-P
-	P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
-	log_k		132.1032
-	-delta_H	-848.157	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
-#	Range		0-300
-	-Vm		17.2 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Paragonite
-	NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
-	log_k		17.5220
-	-delta_H	-275.056	kJ/mol
-#	deltafH		-1416.96	kcal/mol
-	-analytic	3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
-#	Range		0-350
-	-Vm		132.53
-#	Extrapol	supcrt92
-#	Ref		HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06
-
-Pargasite
-	NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
-	log_k		101.9939
-	-delta_H	-880.205	kJ/mol
-#	deltafH		-3016.62	kcal/mol
-	-analytic	-6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
-#	Range		0-350
-	-Vm		273.5
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Periclase
-	MgO + 2 H+ = H2O + Mg+2
-	log_k		21.3354
-	-delta_H	-150.139	kJ/mol
-#	deltafH		-143.8		kcal/mol
-	-analytic	-8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
-#	Range		0-350
-	-Vm		11.248
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Petalite
-	LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
-	log_k		-3.8153
-	-delta_H	-13.1739	kJ/mol
-#	deltafH		-4886.15	kJ/mol
-	-analytic	-6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
-#	Range		0-300
-	-Vm		128.4 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Phlogopite
-	KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
-	log_k		37.4400
-	-delta_H	-310.503	kJ/mol
-#	deltafH		-1488.07	kcal/mol
-	-analytic	-8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
-#	Range		0-350
-	-Vm		149.66
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Polydymite
-	Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
-	log_k		-48.9062
-#	deltafH		-78.014		kcal/mol
-	-analytic	-1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
-#	Range		0-200
-	-Vm		64.14 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		78vau/cra
-
-Portlandite
-	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
-	log_k		22.5552
-	-delta_H	-128.686	kJ/mol
-#	deltafH		-986.074	kJ/mol
-	-analytic	-8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
-#	Range		0-300
-	-Vm		33.056 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Prehnite
-	Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
-	log_k		32.9305
-	-delta_H	-311.875	kJ/mol
-#	deltafH		-1481.65	kcal/mol
-	-analytic	-3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
-#	Range		0-350
-	-Vm		140.33
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Pseudowollastonite
-	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
-	log_k		13.9997
-	-delta_H	-79.4625	kJ/mol
-#	deltafH		-388.9		kcal/mol
-	-analytic	2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
-#	Range		0-300
-	-Vm		40.08 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		77bar/kna
-
-Pyridine
-	C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
-	log_k		490.7474
-	-delta_H	-669.9574	kcal/mol
-	-analytic	1071.04 -2.50773 0 0 0 0.00188
-#	Range		0-350
-	-Vm		64.4
-#	Extrapol	supcrt92
-#	Ref		Hel+98
-
-Pyrite
-	FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
-	log_k		-24.6534
-	-delta_H	109.535		kJ/mol
-#	deltafH		-41		kcal/mol
-	-analytic	-2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
-#	Range		0-350
-	-Vm		23.94
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Pyrolusite
-	MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
-	log_k		-17.6439
-	-delta_H	83.3804		kJ/mol
-#	deltafH		-520.031	kJ/mol
-	-analytic	-1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
-#	Range		0-300
-	-Vm		18.38 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Pyrophyllite
-	Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
-	log_k		0.4397
-	-delta_H	-102.161	kJ/mol
-#	deltafH		-1345.31	kcal/mol
-	-analytic	1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
-#	Range		0-350
-	-Vm		126.6
-#	Extrapol	supcrt92
-#	Ref		HDN+78, Wilson+06 match
-
-Pyrrhotite
-	FeS + H+ = Fe+2 + HS-
-	log_k		-3.7193
-	-delta_H	-7.9496		kJ/mol
-#	deltafH		-24		kcal/mol
-	-analytic	-1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
-#	Range		0-350
-	-Vm		18.2
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Quartz
-	SiO2 = SiO2
-	log_k		-3.9993
-	-delta_H	32.949		kJ/mol
-#	deltafH		-217.65		kcal/mol
-	-analytic	7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
-#	Range		0-350
-	-Vm		22.68
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Rankinite
-	Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
-	log_k		51.9078
-	-delta_H	-302.089	kJ/mol
-#	deltafH		-941.7		kcal/mol
-	-analytic	-9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
-#	Range		0-300
-	-Vm		96.13 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		77bar/kna
-
-Rhodochrosite
-	MnCO3 + H+ = HCO3- + Mn+2
-	log_k		-0.1928
-	-delta_H	-21.3426	kJ/mol
-#	deltafH		-212.521	kcal/mol
-	-analytic	-1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
-#	Range		0-350
-	-Vm		31.075
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Rhodonite
-	MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
-	log_k		9.7301
-	-delta_H	-64.7121	kJ/mol
-#	deltafH		-1319.42	kJ/mol
-	-analytic	2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
-#	Range		0-300
-	-Vm		35.87 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Ripidolite
-	Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
-	log_k		60.9638
-	-delta_H	-572.472	kJ/mol
-#	deltafH		-1947.87	kcal/mol
-	-analytic	2.122e2 -6.025e-1 0 0 0 4.579e-4
-#	Range		0-300
-	-Vm		208.614
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Rutherfordine
-	UO2CO3 + H+ = HCO3- + UO2+2
-	log_k		-4.1064
-	-delta_H	-19.4032	kJ/mol
-#	deltafH		-1689.53	kJ/mol
-	-analytic	-8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
-#	Range		0-300
-	-Vm		57.90 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-Rutile
-	TiO2 + 2 H2O = Ti(OH)4
-	log_k		-9.6452
-#	deltafH		-226.107	kcal/mol
-	-Vm		18.82
-#	Ref		RHF79
-
-S
-	S + H2O = 0.5 O2 + H+ + HS-
-	log_k		-45.0980
-	-delta_H	263.663		kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
-#	Range		0-300
-	-Vm		15.511 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Saleeite
-	Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
-	log_k		-19.4575
-	-delta_H	-110.816	kJ/mol
-#	deltafH		-1189.61	kcal/mol
-	-analytic	-6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
-#	Range		0-200
-	-Vm		285.77 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		78lan
-
-Sanidine_high
-	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
-	log_k		0.9239
-	-delta_H	-35.0284	kJ/mol
-#	deltafH		-946.538	kcal/mol
-	-analytic	-3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
-#	Range		0-350
-	-Vm		109.008
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Saponite-Fe-Ca
-	Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		20.3624
-	-analytic	5.992e1 -1.681e-1 0 0 0 1.174e-4
-#	Range		0-300
-	-Vm		143.506
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Fe-Fe
-	Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		18.9359
-	-analytic	5.762e1 -1.630e-1 0 0 0 1.099e-4
-#	Range		0-300
-	-Vm		142.672
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Fe-K
-	K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		18.7937
-	-analytic	5.427e1 -1.504e-1 0 0 0 1.037e-4
-#	Range		0-300
-	-Vm		147.639
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Fe-Mg
-	Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		19.5290
-	-analytic	5.870e1 -1.665e-1 0 0 0 1.163e-4
-#	Range		0-300
-	-Vm		142.541
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Fe-Na
-	Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		19.7977
-	-analytic	5.733e1 -1.597e-1 0 0 0 1.117e-4
-#	Range		0-300
-	-Vm		144.947
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Mg-Ca
-	Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		26.2900
-	-delta_H	-207.971	kJ/mol
-#	deltafH		-1436.51	kcal/mol
-	-analytic	8.088e1 -2.233e-1 0 0 0 1.655e-4
-#	Range		0-300
-	-Vm		141.250
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol match
-
-Saponite-Mg-Fe
-	Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		27.6789
-	-analytic	7.825e1 -2.180e-1 0 0 0 1.612e-4
-#	Range		0-300
-	-Vm		140.416
-#	Extrapol	supcrt92
-#	Ref		Catalano13
-
-Saponite-Mg-K
-	K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		26.0075
-	-delta_H	-196.402	kJ/mol
-#	deltafH		-1437.74	kcal/mol
-	-analytic	7.522e1 -2.055e-1 0 0 0 1.517e-4
-#	Range		0-300
-	-Vm		145.383
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C
-
-Saponite-Mg-Mg
-	Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		26.2523
-	-delta_H	-210.822	kJ/mol
-#	deltafH		-1432.79	kcal/mol
-	-analytic	7.965e1 -2.217e-1 0 0 0 1.644e-4
-#	Range		0-300
-	-Vm		140.285
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C
-
-Saponite-Mg-Na
-	Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
-	log_k		26.3459
-	-delta_H	-201.401	kJ/mol
-#	deltafH		-1435.61	kcal/mol
-	-analytic	7.829e1 -2.148e-1 0 0 0 1.598e-4
-#	Range		0-300
-	-Vm		142.691
-#	Extrapol	supcrt92, Cp integration
-#	Ref		Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C
-
-Sc
-	Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
-	log_k		167.2700
-	-delta_H	-1033.87	kJ/mol
-#	deltafH 	0		kJ/mol
-	-analytic	-6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
-#	Range		0-300
-	-Vm		15.038 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Scacchite
-	MnCl2 = Mn+2 + 2 Cl-
-	log_k		8.7785
-	-delta_H	-73.4546	kJ/mol
-#	deltafH		-481.302	kJ/mol
-	-analytic	-2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
-#	Range		0-300
-	-Vm		42.27 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Schoepite
-	UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
-	log_k		4.8333
-	-delta_H	-50.415		kJ/mol
-#	deltafH		-1826.1		kJ/mol
-	-analytic	1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
-#	Range		0-300
-	-Vm		66.08 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-Scolecite
-	CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
-	log_k		15.8767
-	-delta_H	-204.93		kJ/mol
-#	deltafH		-6048.92	kJ/mol
-	-analytic	5.0656e1 -3.1485e-3 1.0574e4 -2.5663e1 -5.2769e5
-#	Range		0-300
-	-Vm		172.29 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		83joh/flo
-
-Sepiolite
-	Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
-	log_k		30.4439
-	-delta_H	-157.339	kJ/mol
-#	deltafH		-2418		kcal/mol
-	-analytic	1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
-#	Range		0-350
-	-Vm		285.6
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Si
-	Si + O2 = SiO2
-	log_k		148.9059
-	-delta_H	-865.565	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
-#	Range		0-300
-	-Vm		12.056 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Siderite
-	FeCO3 + H+ = Fe+2 + HCO3-
-	log_k		-0.1920
-	-delta_H	-32.5306	kJ/mol
-#	deltafH		-179.173	kcal/mol
-	-analytic	-1.5990e2 -4.9361e-2 5.4947e3 6.3032e1 8.5787e1
-#	Range		0-350
-	-Vm		29.378
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Sillimanite
-	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
-	log_k		16.3080
-	-delta_H	-238.442	kJ/mol
-#	deltafH		-615.099	kcal/mol
-	-analytic	-7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
-#	Range		0-350
-	-Vm		49.9
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-SiO2(am)
-	SiO2 = SiO2
-        log_k		-2.7136
-	-delta_H	20.0539		kJ/mol
-#	deltafH		-214.568	kcal/mol
-	-analytic	1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
-#	Range		0-325
-	-Vm		29
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Sm
-	Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
-	log_k		133.1614
-	-delta_H	-783.944	kJ/mol
-#	deltafH 	0		kJ/mol
-	-analytic	-7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
-#	Range		0-300
-	-Vm		19.98 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Smectite-high-Fe-Mg
-        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O 
-	log_k		17.4200
-	-delta_H	-199.841	kJ/mol
-#	deltafH		-1351.39	kcal/mol
-	-analytic	-9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
-#	Range		0-300
-	-Vm		139.07 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		78wol
-
-Smectite-low-Fe-Mg
-        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O 
-	log_k		11.0405
-	-delta_H	-144.774	kJ/mol
-#	deltafH		-1352.12	kcal/mol
-	-analytic	-1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
-#	Range		0-300
-	-Vm		139.39 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		78wol
-
-Smithsonite
-	ZnCO3 + H+ = HCO3- + Zn+2
-	log_k		0.4633
-	-delta_H	-30.5348	kJ/mol
-#	deltafH		-194.26		kcal/mol
-	-analytic	-1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
-#	Range		0-350
-	-Vm		28.275
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Sphaerocobaltite
-	CoCO3 + H+ = Co+2 + HCO3-
-	log_k		-0.2331
-	-delta_H	-30.7064	kJ/mol
-#	deltafH		-171.459	kcal/mol
-	-analytic	-1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
-#	Range		0-300
-	-Vm		28.8 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		84sve
-
-Sphalerite
-	ZnS + H+ = HS- + Zn+2
-	log_k		-11.4400
-	-delta_H	35.5222		kJ/mol
-#	deltafH		-49		kcal/mol
-	-analytic	-1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
-#	Range		0-350
-	-Vm		23.83
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Spinel
-	Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
-	log_k		37.6295
-	-delta_H	-398.108	kJ/mol
-#	deltafH		-546.847	kcal/mol
-	-analytic	-3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
-#	Range		0-350
-	-Vm		39.71
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Spinel-Co
-	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
-	log_k		-6.4852
-	-delta_H	-126.415	kJ/mol
-#	deltafH		-891		kJ/mol
-	-analytic	-3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
-#	Range		0-300
-	-Vm		39.41 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Spodumene
-	LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
-	log_k		6.9972
-	-delta_H	-89.1817	kJ/mol
-#	deltafH		-3054.75	kJ/mol
-	-analytic	-9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
-#	Range		0-300
-	-Vm		58.37 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Stilbite
-	Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
-	log_k		1.0545
-	-delta_H	-83.0019	kJ/mol
-#	deltafH		-11005.7	kJ/mol
-	-analytic	-2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
-#	Range		0-300
-	-Vm		333.50 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		90how/joh
-
-Strengite
-	FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
-	log_k		-11.3429
-	-delta_H	-37.107		kJ/mol
-#	deltafH		-1876.23	kJ/mol
-	-analytic	-2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
-#	Range		0-300
-	-Vm		65.10 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Sylvite
-	KCl = Cl- + K+
-	log_k		0.8459
-	-delta_H	17.4347		kJ/mol
-#	deltafH		-104.37		kcal/mol
-	-analytic	-8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
-#	Range		0-350
-	-Vm		37.524
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Talc
-	Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
-	log_k		21.1383
-	-delta_H	-148.737	kJ/mol
-#	deltafH		-1410.92	kcal/mol
-	-analytic	1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
-#	Range		0-350
-	-Vm		136.25
-#	Extrapol	supcrt92
-#	Ref		HDN+78, Wilson+06 match
-
-Tarapacaite
-	K2CrO4 = CrO4-2 + 2 K+
-	log_k		-0.4037
-	-delta_H	17.8238		kJ/mol
-#	deltafH		-335.4		kcal/mol
-	-analytic	2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
-#	Range		0-200
-	-Vm		70.87 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-Tenorite
-	CuO + 2 H+ = Cu+2 + H2O
-	log_k		7.6560
-	-delta_H	-64.5047	kJ/mol
-#	deltafH		-37.2		kcal/mol
-	-analytic	-8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
-#	Range		0-350
-	-Vm		12.22
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Tephroite
-	Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
-	log_k		23.0781
-	-delta_H	-160.1		kJ/mol
-#	deltafH		-1730.47	kJ/mol
-	-analytic	-3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
-#	Range		0-300
-	-Vm		47.52 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Th
-	Th + 4 H+ + O2 = Th+4 + 2 H2O
-	log_k		209.6028
-	-delta_H	-1328.56	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
-#	Range		0-300
-	-Vm		19.83 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Th(NO3)4:5H2O
-	Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
-	log_k		1.7789
-	-delta_H	-18.1066	kJ/mol
-#	deltafH		-3007.35	kJ/mol
-	-analytic	-1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
-#	Range		0-200
-	-Vm		203.62 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Th(SO4)2
-	Th(SO4)2 = Th+4 + 2 SO4-2
-	log_k		-20.3006
-	-delta_H	-46.1064	kJ/mol
-#	deltafH		-2542.12	kJ/mol
-	-analytic	-8.4525 -3.5442e-2 0 0 -1.1540e5
-#	Range		0-200
-	-Vm		100.39 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Th2S3
-	Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
-	log_k		95.2290
-	-delta_H	-783.243	kJ/mol
-#	deltafH		-1082.89	kJ/mol
-	-analytic	-3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
-#	Range		0-300
-	-Vm		71.19 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Th7S12
-	Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
-	log_k		204.0740
-	-delta_H	-1999.4		kJ/mol
-#	deltafH		-4136.58	kJ/mol
-	-analytic	-2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
-#	Range		0-200
-	-Vm		248.02 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-ThCl4
-	ThCl4 = Th+4 + 4 Cl-
-	log_k		23.8491
-	-delta_H	-251.094	kJ/mol
-#	deltafH		-283.519	kcal/mol
-	-analytic	-5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
-#	Range		0-200
-	-Vm		81.45 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		80lan/her
-
-ThS2
-	ThS2 + 2 H+ = Th+4 + 2 HS-
-	log_k		10.7872
-	-delta_H	-175.369	kJ/mol
-#	deltafH		-625.867	kJ/mol
-	-analytic	-3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
-#	Range		0-200
-	-Vm		40.57 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Thenardite
-	Na2SO4 = SO4-2 + 2 Na+
-	log_k		-0.3091
-	-delta_H	-2.33394	kJ/mol
-#	deltafH		-1387.87	kJ/mol
-	-analytic	-2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
-#	Range		0-300
-	-Vm		53.33 # Marion+05
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-Thermonatrite
-	Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
-	log_k		10.9623
-	-delta_H	-27.5869	kJ/mol
-#	deltafH		-1428.78	kJ/mol
-	-analytic	-1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
-#	Range		0-300
-	-Vm		54.92 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Thorianite
-	ThO2 + 4 H+ = Th+4 + 2 H2O
-	log_k		1.8624
-	-delta_H	-114.296	kJ/mol
-#	deltafH		-1226.4		kJ/mol
-	-analytic	-1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
-#	Range		0-300
-	-Vm		26.373 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Ti
-	Ti + 2 H2O + O2 = Ti(OH)4
-	log_k		149.2978
-#	deltafH		0		kJ/mol
-	-Vm		10.631 # thermo.com.V8.R6+.tdat
-#	Ref		CWM89
-
-Ti2O3
-	Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
-	log_k		42.9866
-#	deltafH		-1520.78	kJ/mol
-	-Vm		32.02 # gfw/density
-#	Ref		WEP+82
-
-Ti3O5
-	Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
-	log_k		34.6557
-#	deltafH		-2459.24	kJ/mol
-	-Vm		48.93 # gfw/density
-#	Ref		WEP+82
-
-TiB2
-	TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
-	log_k		312.4194
-#	deltafH		-323.883	kJ/mol
-	-Vm		15.37 # gfw/density
-#	Ref		WEP+82
-
-TiC
-	TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
-	log_k		181.8139
-#	deltafH		-184.346	kJ/mol
-	-Vm		12.15 # gfw/density
-#	Ref		WEP+82
-
-TiCl2
-	TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
-	log_k		70.9386
-#	deltafH		-514.012	kJ/mol
-	-Vm		37.95 # gfw/density
-#	Ref		WEP+82
-
-TiCl3
-	TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
-	log_k		39.3099
-#	deltafH		-720.775	kJ/mol
-	-Vm		58.42 # gfw/density
-#	Ref		WEP+82
-
-TiN
-	TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
-	log_k		35.2344
-#	deltafH		-338.304	kJ/mol
-	-Vm		11.46 # gfw/density
-#	Ref		WEP+82
-
-Titanite
-	CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
-	log_k		719.5839
-#	deltafH		0		kcal/mol
-	-Vm		55.65
-#	Ref		RHF79
-
-Tobermorite-11A
-	Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
-	log_k		65.6121
-	-delta_H	-286.861	kJ/mol
-#	deltafH		-2556.42	kcal/mol
-	-analytic	7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
-#	Range		0-300
-	-Vm		286.81 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		82sar/bar
-
-Tremolite
-	Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
-	log_k		61.2367
-	-delta_H	-406.404	kJ/mol
-#	deltafH		-2944.04	kcal/mol
-	-analytic	8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
-#	Range		0-350
-	-Vm		272.92
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Trevorite
-	NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
-	log_k		9.7876
-	-delta_H	-215.338	kJ/mol
-#	deltafH		-1081.15	kJ/mol
-	-analytic	-1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
-#	Range		0-200
-	-Vm		44.89 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		RHF79
-
-Tridymite
-	SiO2 = SiO2
-	log_k		-3.8278
-	-delta_H	31.3664		kJ/mol
-#	deltafH		-909.065	kJ/mol
-	-analytic	3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
-#	Range		0-200
-	-Vm		26.12 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Troilite
-	FeS + H+ = Fe+2 + HS-
-	log_k		-3.8184
-	-delta_H	-7.3296		kJ/mol
-#	deltafH		-101.036	kJ/mol
-	-analytic	-1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
-#	Range		0-300
-	-Vm		19.07 # Webmineral.com
-#	Extrapol	Cp integration
-#	Ref		RHF79
-
-U
-	U + 2 H+ + 1.5 O2 = H2O + UO2+2
-	log_k		212.7800
-	-delta_H	-1286.64	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
-#	Range		0-300
-	-Vm		12.49 # Webelements.com
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-U2O2Cl5
-	U2O2Cl5 = U+4 + UO2+ + 5 Cl-
-	log_k		19.2752
-	-delta_H	-254.325	kJ/mol
-#	deltafH		-2197.4		kJ/mol
-	-analytic	-4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
-#	Range		0-300
-	-Vm		142.48 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-U3S5
-	U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
-	log_k		-0.3680
-	-delta_H	-218.942	kJ/mol
-#	deltafH		-1431		kJ/mol
-	-analytic	-1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
-#	Range		0-200
-	-Vm		106.12 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		92gre/fug
-
-UC
-	UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
-	log_k		194.8241
-	-delta_H	-1202.82	kJ/mol
-#	deltafH		-97.9		kJ/mol
-	-analytic	-4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
-#	Range		0-300
-	-Vm		18.34 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UCl3
-	UCl3 = U+3 + 3 Cl-
-	log_k		13.0062
-	-delta_H	-126.639	kJ/mol
-#	deltafH		-863.7		kJ/mol
-	-analytic	-2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
-#	Range		0-300
-	-Vm		62.62 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UCl4
-	UCl4 = U+4 + 4 Cl-
-	log_k		21.9769
-	-delta_H	-240.719	kJ/mol
-#	deltafH		-1018.8		kJ/mol
-	-analytic	-3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
-#	Range		0-300
-	-Vm		78.00 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UCl6
-	UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
-	log_k		57.5888
-	-delta_H	-383.301	kJ/mol
-#	deltafH		-1066.5		kJ/mol
-	-analytic	-4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
-#	Range		0-300
-	-Vm		125.21 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UH3(beta)
-	UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
-	log_k		199.7683
-	-delta_H	-1201.43	kJ/mol
-#	deltafH		-126.98		kJ/mol
-	-analytic	5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
-#	Range		0-200
-	-Vm		22.01 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		92gre/fug
-
-UN
-	UN + 3 H+ = NH3 + U+3
-	log_k		41.7130
-	-delta_H	-280.437	kJ/mol
-#	deltafH		-290		kJ/mol
-	-analytic	-1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
-#	Range		0-300
-	-Vm		45.85 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UO2(NO3)2
-	UO2(NO3)2 = UO2+2 + 2 NO3-
-	log_k		11.9598
-	-delta_H	-81.6219	kJ/mol
-#	deltafH		-1351		kJ/mol
-	-analytic	-1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
-#	Range		0-200
-	-Vm		140.23 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		92gre/fug
-
-UO2(NO3)2:6H2O
-	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
-	log_k		2.3189
-	-delta_H	19.8482		kJ/mol
-#	deltafH		-3167.5		kJ/mol
-	-analytic	-1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
-#	Range		0-300
-	-Vm		178.88 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UO2(OH)2(beta)
-	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
-	log_k		4.9457
-	-delta_H	-56.8767	kJ/mol
-#	deltafH		-1533.8		kJ/mol
-	-analytic	-1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
-#	Range		0-300
-	-Vm		51.31 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UO2SO4
-	UO2SO4 = SO4-2 + UO2+2
-	log_k		1.9681
-	-delta_H	-83.4616	kJ/mol
-#	deltafH		-1845.14	kJ/mol
-	-analytic	-1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
-#	Range		0-300
-	-Vm		111.61 # gfw/density
-#	Extrapol	Cp integration
-#	Ref		92gre/fug
-
-UO2SO4:3H2O
-	UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
-	log_k		-1.4028
-	-delta_H	-34.6176	kJ/mol
-#	deltafH		-2751.5		kJ/mol
-	-analytic	-5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
-#	Range		0-200
-	-Vm		108.34 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		92gre/fug
-
-UO3(beta)
-	UO3 + 2 H+ = H2O + UO2+2
-	log_k		8.3095
-	-delta_H	-84.5383	kJ/mol
-#	deltafH		-1220.3		kJ/mol
-	-analytic	-1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
-#	Range		0-300
-	-Vm		34.46 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		92gre/fug
-
-Uraninite
-	UO2 + 4 H+ = U+4 + 2 H2O
-	log_k		-4.8372
-	-delta_H	-77.8767	kJ/mol
-#	deltafH		-1085		kJ/mol
-	-analytic	-7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
-#	Range		0-325
-	-Vm		24.638
-#	Extrapol	Cp integration
-#	Ref		CWM89, SSB97 match
-
-Vaesite
-	NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
-	log_k		-26.7622
-	-delta_H	110.443		kJ/mol
-#	deltafH		-32.067		kcal/mol
-	-analytic	1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
-#	Range		0-200
-	-Vm		27.697 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		78vau/cra
-
-Wairakite
-	CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O
-	log_k		18.0762
-	-delta_H	-237.781	kJ/mol
-#	deltafH		-1579.33	kcal/mol
-	-analytic	-1.7914e1 3.2944e-3 2.2782e4 -9.0981 -1.6934e6
-#	Range		0-350
-	-Vm		186.87
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Wollastonite
-	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
-	log_k		13.7605
-	-delta_H	-76.5756	kJ/mol
-#	deltafH		-389.59		kcal/mol
-	-analytic	3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
-#	Range		0-350
-	-Vm		39.93
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Wurtzite
-	ZnS + H+ = HS- + Zn+2
-	log_k		-9.1406
-	-delta_H	22.3426		kJ/mol
-#	deltafH		-45.85		kcal/mol
-	-analytic	-1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
-#	Range		0-350
-	-Vm		23.846
-#	Extrapol	supcrt92
-#	Ref		HDN+78
-
-Wustite
-	Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
-	log_k		12.4113
-	-delta_H	-102.417	kJ/mol
-#	deltafH		-266.265	kJ/mol
-	-analytic	-7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
-#	Range		0-300
-	-Vm		12.04 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-Xonotlite
-	Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
-	log_k		91.8267
-	-delta_H	-495.457	kJ/mol
-#	deltafH		-2397.25	kcal/mol
-	-analytic	1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
-#	Range		0-200
-	-Vm		264.81 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		82sar/bar
-
-Zincite
-	ZnO + 2 H+ = H2O + Zn+2
-	log_k		11.2087
-	-delta_H	-88.7638	kJ/mol
-#	deltafH		-350.46		kJ/mol
-	-analytic	-8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
-#	Range		0-350
-	-Vm		14.338
-#	Extrapol	supcrt92, Cp integration
-#	Ref		SSW+97, CWM89 match
-
-Zn
-	Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
-	log_k		68.8035
-	-delta_H	-433.157	kJ/mol
-#	deltafH		0		kJ/mol
-	-analytic	-6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
-#	Range		0-300
-	-Vm		9.162 # thermo.com.V8.R6+.tdat
-#	Extrapol	Cp integration
-#	Ref		CWM89
-
-Zn(NO3)2:6H2O
-	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
-	log_k		3.4102
-	-delta_H	24.7577		kJ/mol
-#	deltafH		-2306.8		kJ/mol
-	-analytic	-1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
-#	Range		0-200
-	-Vm		144.06 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Zn(OH)2(beta)
-	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
-	log_k		11.9341
-	-delta_H	-83.2111	kJ/mol
-#	deltafH		-641.851	kJ/mol
-	-analytic	-7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
-#	Range		0-200
-	-Vm		32.60 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Zn(OH)2(epsilon)
-	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
-	log_k		11.6625
-	-delta_H	-81.7811	kJ/mol
-#	deltafH		-643.281	kJ/mol
-	-analytic	-7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
-#	Range		0-200
-	-Vm		32.60 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Zn2SiO4
-	Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
-	log_k		13.8695
-	-delta_H	-119.399	kJ/mol
-#	deltafH		-1636.75	kJ/mol
-	-analytic	2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
-#	Range		0-200
-	-Vm		55.03 # Webmineral.com
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-ZnCl2
-	ZnCl2 = Zn+2 + 2 Cl-
-	log_k		7.0880
-	-delta_H	-72.4548	kJ/mol
-#	deltafH		-415.09		kJ/mol
-	-analytic	-1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
-#	Range		0-200
-	-Vm		46.84 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-ZnCr2O4
-	ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
-	log_k		7.9161
-	-delta_H	-221.953	kJ/mol
-#	deltafH		-370.88		kcal/mol
-	-analytic	-1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
-#	Range		0-200
-	-Vm		44.03 # thermo.com.V8.R6+.tdat
-#	Extrapol	Constant H approx
-#	Ref		76del/hal
-
-ZnSO4
-	ZnSO4 = SO4-2 + Zn+2
-	log_k		3.5452
-	-delta_H	-80.132		kJ/mol
-#	deltafH		-982.855	kJ/mol
-	-analytic	6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
-#	Range		0-200
-	-Vm		45.61 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-ZnSO4:6H2O
-	ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
-	log_k		-1.6846
-	-delta_H	-0.412008	kJ/mol
-#	deltafH		-2777.61	kJ/mol
-	-analytic	-1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
-#	Range		0-200
-	-Vm		130.08 # gfw/density
-#	Extrapol	Constant H approx
-#	Ref		WEP+82
-
-Zoisite
-	Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
-	log_k		43.3017
-	-delta_H	-458.131	kJ/mol
-#	deltafH		-1643.69	kcal/mol
-	-analytic	2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
-#	Range		0-350
-	-Vm		135.9
-#	Extrapol	supcrt92
-#	Ref		HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C
-
-#----------
-# 15 gases
-#----------
-
-C2H4(g)
-	C2H4 = C2H4
-	log_k		-2.323631
-	-delta_H	-3.930		kcal/mol
-	-analytic	-14.5616 0.0176 2192.2 0 0 -3.8657e-6
-#	Range		0-350
-	-T_c		283 # K
-	-P_c		50.53
-	-Omega		0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		Sho93
-
-C2H6(g)
-	C2H6 = C2H6
-	log_k		-2.93276
-	-delta_H	-4.509		kcal/mol
-	-analytic	-23.1154 0.0354 3289.1 0 0 -1.5637e-5
-#	Range		0-350
-	-T_c		305 # K
-	-P_c		48.16
-	-Omega		0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		HOK+98	
-
-C3H8(g)
-	C3H8 = C3H8
-	log_k		-2.876
-	-analytic	1.885	-2.55e-2 0 0 0 3.20e-5 # Not the best
-#	Range		0-350
-	-T_c		369.522 # K
-	-P_c		42.4924
-	-Omega		0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		HOK+98
-
-CH4(g)
-	CH4 = CH4 
-	log_k		-2.8502
-	-delta_H	-13.0959	kJ/mol
-#	deltafH		-17.88		kcal/mol
-	-analytic	-24.027 4.7146e-3 372.27 6.4264 2.3362e5
-#	Range		0-350
-	-T_c		190.6 # K
-	-P_c		45.40
-	-Omega		0.008 # phreeqc.dat
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-CO(g)
-	CO = CO
-	log_k		-3.0068
-	-delta_H	-10.4349	kJ/mol
-#	deltafH		-26.416		kcal/mol
-	-analytic	-8.0849 9.2114e-3 0 0 2.0813e5
-#	Range		0-350
-	-T_c		133 # K
-	-P_c		34.54
-	-Omega		0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		Sho93
-
-CO2(g)
-	CO2 + H2O = H+ + HCO3-   
-	log_k		-7.8136
-	-delta_H	-10.5855	kJ/mol
-#	deltafH		-94.051		kcal/mol
-	-analytic	-8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
-#	Range		0-350
-	-T_c		304.25 # K
-	-P_c		72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
-	-Omega		0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-H2(g)
-	H2 = H2
-	log_k		-3.1050
-	-delta_H	-4.184		kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
-#	Range		0-350
-	-T_c		33.2 # K
-	-P_c		12.80
-	-Omega		0.225 # phreeqc.dat
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-H2O(g)
-	H2O = H2O       
-	log_k		1.5854
-	-delta_H	-43.4383	kJ/mol
-#	deltafH		-57.935		kcal/mol
-	-analytic	-1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
-#	Range		0-350
-	-T_c		647.3 # K
-	-P_c		218.31
-	-Omega		0.344 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
-#	Ref		Joh90
-
-H2S(g)
-	H2S = H+ + HS-     
-	log_k		-7.9759
-	-delta_H	4.5229		kJ/mol
-#	deltafH		-4.931		kcal/mol
-	-analytic	-97.354 -3.1576e-2 1.8285e3 37.44 28.56
-#	Range		0-350
-	-T_c		373.2 # K
-	-P_c		88.20
-	-Omega		0.1
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-N2(g)
-	N2 = N2
-	log_k		-3.1864 
-	-delta_H	-10.4391	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
-#	Range		0-350
-	-T_c		126.2 # K
-	-P_c		33.50
-	-Omega		0.039
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-NH3(g)
-	NH3 = NH3       
-	log_k		1.7966
-	-delta_H	-35.2251	kJ/mol
-#	deltafH		-11.021		kcal/mol
-	-analytic	-18.758 3.3670e-4 2.5113e3 4.8619 39.192
-#	Range		0-350
-	-T_c		405.6 # K
-	-P_c		111.3
-	-Omega		0.25
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-NO(g)
-	NO + 0.5 H2O + 0.25 O2 = H+ + NO2- 
-	log_k		0.7554
-	-delta_H	-48.8884	kJ/mol
-#	deltafH		90.241		kJ/mol
-	-analytic	8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
-#	Range		0-300
-	-T_c		180 # K
-	-P_c		64.64
-	-Omega		0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92, Cp integration
-#	Ref		AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag
-
-NO2(g)
-	NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- 
-	log_k		8.3673
-	-delta_H	-94.0124	kJ/mol
-#	deltafH		33.154		kJ/mol
-	-analytic	9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
-#	Range		0-300
-	-T_c		431 # K
-	-P_c		99.67
-	-Omega		0 # Not found
-#	Extrapol	Cp integration
-#	Ref		WEP+82
-
-O2(g)
-	O2 = O2       
-	log_k		-2.8983
-	-delta_H	-12.1336	kJ/mol
-#	deltafH		0		kcal/mol
-	-analytic	-7.5001 7.8981e-3 0.0 0.0 2.0027e5
-#	Range		0-300
-	-T_c		154.6 # K phreeqc.dat
-	-P_c		49.80 # phreeqc.dat
-	-Omega		0.021 # phreeqc.dat
-#	Extrapol	supcrt92
-#	Ref		WEP+82, Kel60
-
-SO2(g)
-	SO2 = SO2
-	log_k		0.1700
-	-delta_H	0
-#	deltafH		0		kcal/mol
-	-analytic	-2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
-#	Range		0-300
-	-T_c		430 # K
-	-P_c		77.67
-	-Omega		0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
-#	Extrapol	supcrt92
+# Marc Neveu - created March 2, 2017. Last edited April 16, 2018. mneveu@asu.edu
+# Reference for database description: Neveu M., Desch S. J., Castillo-Rogez J. C. (2017) 
+# Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions, 
+# and fate of antifreezes and radionuclides. Geochimica et Cosmochimica Acta 212, 324-371. 
+ # http://dx.doi.org/10.1016/j.gca.2017.06.023
+#
+# Downloaded April 26, 2018 
+# 
+# Paraphrase from abstract:
+# This database is a compilation and careful validation of a 
+# comprehensive PHREEQC database, which combines the advantages
+# of the default databases phreeqc.dat (carefully vetted data, molar volumes) 
+# and llnl.dat (large diversity of species), and should be of broad use to 
+# anyone seeking to model aqueous geochemistry at pressures that 
+# differ from 1 bar.
+#
+# Extrapolation algorithms:
+# 64cri/cob: ? (12 aq species, all also with supcrt92)
+# Cp integration = Integration of heat capacity vs. temperature measurements (162 solids, 2 gases)
+# Constant H approx = Constant enthalpy approximation (76 solids)
+# 69hel: http://dx.doi.org/10.2475/ajs.267.7.729 (5 aq species)
+# Marion+12 (NH4Cl, NH4HCO3)
+# supcrt92 = SUPCRT92 (329 aq, solids, gases)
+# N17 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
+#
+# References:
+# APP14: http://dx.doi.org/10.1016/j.gca.2013.10.003 (25 molar volumes, see phreeqc.dat)
+# AS01: http://dx.doi.org/10.1016/S0168-6445(00)00062-0 (NO(g))
+# BH86: Barta and Hepler, 1986, Can. J.C. 64, 353. (Al+3, AlOH+2 molar volumes)
+# Catalano13: http://dx.doi.org/10.1002/jgre.20161 (23 saponites + ripidolite)
+# CWM89: http://www.worldcat.org/oclc/18559968 (20 solids, incl. 14 elemental)
+# E68: Ellis, 1968, J. Chem. Soc. A, 1138. (Li+ molar volume)
+# HDN+78: http://www.worldcatlibraries.org/oclc/13594862 (117 solids)
+# Hel+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (Pyridine)
+# Hel+09: http://dx.doi.org/10.1016/j.gca.2008.03.004 (Kerogen C128, C292, C515)
+# HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g))
+# Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume)
+# HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes)
+# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C):  Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g))
+# Kel60: http://www.worldcat.org/oclc/693388901 (8 gases)
+# M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume)
+# Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+)
+# Marion+05: http://dx.doi.org/10.1016/j.gca.2004.06.024 (Arcanite, Gypsum, Niter, Thenardite molar volumes)
+# Marion+08: http://dx.doi.org/10.1016/j.gca.2007.10.012 (FeOH+, FeOH+2, Melanterite molar volume)
+# Marion+09: http://dx.doi.org/10.1016/j.gca.2009.03.013 (Alum-K molar volume)
+# Marion+12: http://dx.doi.org/10.1016/j.icarus.2012.06.016 (NH4Cl, NH4HCO3)
+# MLS+03: http://dx.doi.org/10.2138/am-2003-5-613 (Goethite)
+# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X (HCl, MgSO4)
+# N17: http://dx.doi.org/10.1016/j.gca.2017.06.023 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
+# R01: http://dx.doi.org/10.1016/S0016-7037(01)00761-X ([(6)(CB)(CB)S])
+# RHF79: http://pubs.er.usgs.gov/publication/b1452 (40 solids)
+# RH98: http://dx.doi.org/10.1016/S0016-7037(97)00345-1 ([(aro)-O-(aro)], Kerogen C128, C292, C515)
+# SH88: http://dx.doi.org/10.1016/0016-7037(88)90181-0 (42 solutes, 1 solid)
+# SH90: http://dx.doi.org/10.1016/0016-7037(90)90429-O (6 organic solutes)
+# Sho93: http://dx.doi.org/10.1016/0016-7037(93)90542-5 (C2H4(g), CO(g))
+# Sho95: http://dx.doi.org/10.2475/ajs.295.5.496 (4 organic solutes)
+# Sho09: http://dx.doi.org/10.2113/gsecongeo.104.8.1235 (Goethite)
+# SHS89: http://dx.doi.org/10.1016/0016-7037(89)90341-4 (11 solutes)
+# SK93: http://dx.doi.org/10.1016/0016-7037(93)90128-J (44 acetic acid/acetate complexes)
+# SS93: http://dx.doi.org/10.1016/0016-7037(93)90337-V (CH2O)
+# SM93: http://dx.doi.org/10.1006/icar.1993.1185 (CO, CO(NH2)2, HCN solutes)
+# SSB97: http://dx.doi.org/10.1016/S0016-7037(97)00240-8 (UO2OH+, Uraninite)
+# SSH97: http://dx.doi.org/10.1016/S0016-7037(97)00009-4 (30 solutes)
+# SSW01: http://dx.doi.org/10.1016/S0016-7037(01)00717-7 (CO2, H2S)
+# Ste01: http://dx.doi.org/10.1016/S0009-2541(00)00263-1 (Ti(OH)4)
+# Wat81: “Ammonium Aluminosilicates: The Examination of a Mechanism for the High Temperature Condensation of Ammonia in Circumplanetary Subnebulae� MS Thesis, MIT, 1981. (NH4-feldspar, NH4-muscovite)
+# WEP+82: http://dx.doi.org/10.1063/1.555845 (87 solutes, solids, and gases)
+# WebElements: http://www.webelements.com/periodicity/molar_volume (K, U molar volumes)
+# WebMineral: http://www.webmineral.com (38 solid molar volumes)
+# Wilson+06: http://dx.doi.org/10.1016/j.gca.2005.10.003 (Chamosite, Lizardite)
+#
+# 73bar/kna: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances:  Springer-Verlag, New York. (Alum-K, MgOHCl, Na2SiO3, Nahcolite)
+# 77bar/kna: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances. Supplement:  Springer-Verlag, New York. (Natrosilite, Pseudowollastonite, Rankinite)
+# 87bou/bar: http://dx.doi.org/10.2113/gsecongeo.82.7.1839 (ZnOH+)
+# 88db 3: Database development group iii/3, 1988, Errors in computation of estimated delH298 for montmor-x endmembers of smectite-di solid solution:  LLNL Internal Memo. (Montmor-Ca, K, Mg, Na)
+# 89db 7=89db 6, Database development group, 1989, Zeolite thermodynamic data:  LLNL Internal memo. (Clinoptilolite-Ca, K, Na, Mesolite)
+# 76del/hal: http://dx.doi.org/10.1021/cr60301a001 (2 Cr solutes, 9 Cr solids)
+# 92gre/fug: Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H., 1992, Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium:  North-Holland, Amsterdam, 1, 714p. (4 U solutes, 21 U solids)
+# 90how/joh: http://dx.doi.org/10.1016/S0144-2449(05)80307-0 (Stilbite)
+# 82joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1982, Thermodynamic studies of zeolites: Analcime and dehydrated analcime:  Amer. Mineral., 67, 736-748. (Analcime)
+# 83joh/flo: Johnson, G.K., Flotow, H.E., O'Hare, P.A.G., and Wise, W.S., 1983, Thermodynamic studies of zeolites: Natrolite, mesolite, and scolecite:  Amer. Mineral., 68, 1134-1145. (Natrolite, Scolecite)
+# 91joh/tas: http://dx.doi.org/10.1016/S0021-9614(05)80135-1 (Mordenite)
+# 75kas/bor: Kashkay, C.H.M., Borovskaya,Y.U.B., and Babazade, M.A., 1975, Determination of delG0f298K of synthetic jarosite and its sulfate analogues:  Geochem. Intl., 12, 115-121. (Jarosite)
+# 87kee/rup: Kee, R.J., Rupley, F.M., and Miller, J.A., 1987, The Chemkin thermodynamic database:  SNL Rep. SAND-87-8215, 92p. (Ice)
+# 78lan: http://dx.doi.org/10.1016/0016-7037(78)90001-7 (Bassetite, Ningyoite, Saleeite)
+# 80lan/her: http://dx.doi.org/10.1016/0016-7037(80)90226-4 (ThCl4)
+# 82mar/smi: Martell, A.E., and Smith, R.M., 1982, Critical Stability Constants, Vol. 5: First Supplement:  Plenum, New York, 5, 604p. (MgSO4(aq))
+# 74nau/ryz: Naumov, G.B., Ryzhenko, B.N., and Khodakovsky, I.L., 1974, Handbook of Thermodynamic Data:  U.S.G.S. WRD-74-001, 328p. (CoCl+, CoFe2O4, CoS, CoSO4:H2O, Delafossite, Ni2SiO4)
+# 76mac: http://dx.doi.org/10.1016/0010-938X(76)90066-4 (Mn+3)
+# 95pok/hel: http://dx.doi.org/10.2475/ajs.295.10.1255 (4 solutes, 4 solids)
+# 85rar 2: http://dx.doi.org/10.1021/cr00070a003 (9 europium solids)
+# 87rar 2: Rard, J.A., 1987, Update of the europium data base, October, 1987:  LLNL Internal Memo. (3 europium solids)
+# 87rua/sew: http://dx.doi.org/10.1016/0016-7037(87)90013-5 (HCl)
+# 82sar/bar: Sarkar, A.K., Barnes, M.W., and Roy, D.M., 1982, Longevity of borehole and shaft sealing materials: thermodynamic properties of cements and related phases applied to repository sealing:  ONWI Tech. Rep. ONWI-201, 52p. (16 solids)
+# 84sve: http://dx.doi.org/10.1016/0016-7037(84)90203-5 (Sphaerocobaltite)
+# 78vau/cra: Vaughan, D.J., and Craig, J.R., 1978, Mineral chemistry of metal sulfides: Cambridge Univ. Press, Cambridge, MA. (5 solids)
+# 78wol: Wolery, T.J., 1978, Some chemical aspects of hydrothermal processes at mid-oceanic ridges -- A theoretical study. I. Basalt-sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals:  Unpub. Ph.D. Diss., Northwestern Univ., Evaston, IL, 263p. (23 clays)
+# 87woo/gar: Woods, T.L., and Garrels, R.M., 1987, Thermodynamic values at low temperature for natural inorganic materials: An uncritical summary:  Oxford Univ. Press, Oxford. (Atacamite, Brochantite, Dioptase)
+
+# Species have various valid temperature ranges, noted in the Range parameter. Currently, Phreeqc doesn’t use this parameter, so it is up to the user to remain in the valid temperature range for all data used.
+
+# Example entry block:
+
+# Formation reaction from basis species 
+# 	-llnl_gamma	# ion size parameter in B-dot Debye-Huckel equation
+# 	log_k		# at 25C, 1 bar, used if no -delta_H or -analytic
+# 	-delta_H	# molar enthalpy of reaction, used if no -analytic
+# #	deltafH		# molar enthalpy of formation from reference compounds
+#	-analytic	b1 b2 b3 b4 b5 b6 # logK = b1 + b2*T + b3/T + b4*log(T) + b5/T2 + b6*T2
+# #	Range		Tmin-Tmax # of validity of -analytic
+#	-Vm		a1 a2 a3 a4 omega # See APP14, SH88 for equations
+# #	Extrapol	# extrapolation algorithm
+# #	Ref		# references
+
+LLNL_AQUEOUS_MODEL_PARAMETERS
+-temperatures
+	 0.01	25   60  100
+	  150  200  250  300
+#debye huckel a (adh)
+-dh_a
+         0.4939    0.5114    0.5465    0.5995
+         0.6855    0.7994    0.9593    1.2180
+#debye huckel b (bdh)
+-dh_b
+         0.3253    0.3288    0.3346    0.3421
+         0.3525    0.3639    0.3766    0.3925
+-bdot
+         0.0374    0.0410    0.0438    0.0460
+         0.0470    0.0470    0.0340    0
+#cco2   (coefficients for the Drummond (1981) polynomial)
+-co2_coefs
+        -1.0312              0.0012806
+          255.9                 0.4445
+      -0.001606
+
+SOLUTION_MASTER_SPECIES
+
+#element	species        alk     gfw_formula	element_gfw
+
+Al	Al+3	0	Al	26.9815
+Alkalinity	HCO3-	1	Ca0.5(CO3)0.5	50.05
+B	B(OH)3	0	B	10.811
+B(3)	B(OH)3	0	B	-36.44179
+C(-4)	CH4	0	CH4	-33.31051
+C(-3)	C2H6	0	C2H6	-30.54674
+C(-2)	C2H4	0	C2H4	-28.08539
+C	HCO3-	1	HCO3	12.011
+C(+2)	CO	0	C	-23.87691
+C(+4)	HCO3-	1	HCO3	-22.05727
+Ca	Ca+2	0	Ca	40.078
+Cl	Cl-	0	Cl	35.4527
+Cl(-1)	Cl-	0	Cl	-17.43358
+Cl(1)	ClO-	0	Cl	-16.11094
+Cl(3)	ClO2-	0	Cl	-14.87484
+Cl(5)	ClO3-	0	Cl	-13.71476
+Cl(7)	ClO4-	0	Cl	
+Co	Co+2	0	Co	58.9332
+Co(+2)	Co+2	0	Co	
+Co(+3)	Co+3	0	Co	
+Cr	CrO4-2	0	CrO4-2	51.9961
+Cr(+2)	Cr+2	0	Cr	
+Cr(+3)	Cr+3	0	Cr	
+Cr(+6)	CrO4-2	0	Cr	
+Cu	Cu+2	0	Cu	63.546
+Cu(+1)	Cu+1	0	Cu	
+Cu(+2)	Cu+2	0	Cu	
+E	e-	0	0	0
+Eu	Eu+3	0	Eu	151.965
+Eu(+2)	Eu+2	0	Eu	
+Eu(+3)	Eu+3	0	Eu	
+Fe	Fe+2	0	Fe	55.847
+Fe(+2)	Fe+2	0	Fe	
+Fe(+3)	Fe+3	-2	Fe	
+Gd	Gd+3	0	Gd	157.25
+Gd(+3)	Gd+3	0	Gd	
+H	H+	-1	H	1.0079
+H(0)	H2	0	H	
+H(+1)	H+	-1	0	
+K	K+	0	K	39.0983
+Li	Li+	0	Li	6.941
+Mg	Mg+2	0	Mg	24.305
+Mn	Mn+2	0	Mn	54.938
+Mn(+2)	Mn+2	0	Mn	
+Mn(+3)	Mn+3	0	Mn	
+Mn(+6)	MnO4-2	0	Mn	
+Mn(+7)	MnO4-	0	Mn	
+Mo	MoO4-2	0	Mo	95.94
+N	NH3	1	N	14.0067
+N(-3)	NH3	1	N	
+N(0)	N2	0	N	
+N(+3)	NO2-	0	N	
+N(+5)	NO3-	0	N	
+Na	Na+	0	Na	22.9898
+Ni	Ni+2	0	Ni	58.69
+O	H2O	0	O	15.994
+O(-2)	H2O	0	0	
+O(0)	O2	0	O	
+P	HPO4-2	2	P	30.9738
+P(5)	HPO4-2	2	P	
+S	SO4-2	0	SO4	32.066
+S(-2)	HS-	1	S	
+S(+2)	S2O3-2	0	S	
+S(+3)	S2O4-2	0	S	
+S(+4)	SO3-2	0	S	
+S(+5)	S2O5-2	0	S	
+S(+6)	SO4-2	0	SO4	
+S(+7)	S2O8-2	0	S	
+S(+8)	HSO5-	0	S	
+Sc	Sc+3	0	Sc	44.9559
+Si	SiO2	0	SiO2	28.0855
+Sm	Sm+3	0	Sm	150.36
+Sm(+2)	Sm+2	0	Sm	
+Sm(+3)	Sm+3	0	Sm	
+Th	Th+4	0	Th	232.0381
+Ti	Ti(OH)4	0	Ti	47.88
+U	UO2+2	0	U	238.0289
+U(+3)	U+3	0	U	
+U(+4)	U+4	0	U	
+U(+5)	UO2+	0	U	
+U(+6)	UO2+2	0	U	
+Zn	Zn+2	0	Zn	65.39
+
+SOLUTION_SPECIES
+
+#------------------
+# 31 basis species
+#------------------
+
+Al+3 = Al+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-128.681	kcal/mol
+	-Vm   		-2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86
+
+B(OH)3 = B(OH)3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-256.82 	kcal/mol
+	-Vm 		7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89
+
+Ca+2 = Ca+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-129.8		kcal/mol
+	-Vm  		-0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14
+
+Cl- = Cl- 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-39.933		kcal/mol
+	-Vm		4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14
+
+Co+2 = Co+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-13.9		kcal/mol
+	-Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97
+
+CrO4-2 = CrO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-210.6		kcal/mol
+	-Vm		5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97
+
+Cu+2 = Cu+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		15.7		kcal/mol
+	-Vm		-1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14
+
+e- = e-
+
+Eu+3 = Eu+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-144.7		kcal/mol
+	-Vm		-3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88
+
+Fe+2 = Fe+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-22.05		kcal/mol
+	-Vm		-0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14
+
+Gd+3 = Gd+3 
+	-llnl_gamma	5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.2		kcal/mol
+	-Vm		-2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88
+
+H+ = H+ 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-0		kJ/mol
+
+HCO3- = HCO3- 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-164.898	kcal/mol
+	-Vm		7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88
+
+HPO4-2 = HPO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-308.815	kcal/mol
+	-Vm		3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88
+
+K+ = K+ 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-60.27		kcal/mol
+	-Vm		3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14
+
+Li+ = Li+ 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-66.552		kcal/mol
+	-Vm		-0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68 
+
+Mg+2 = Mg+2 
+	-llnl_gamma	8	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-111.367	kcal/mol
+	-Vm		-1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14
+
+Mn+2 = Mn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-52.724		kcal/mol
+	-Vm		-1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14
+
+MoO4-2 = MoO4-2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-238.5		kcal/mol
+	-Vm		6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97
+
+NH3 = NH3 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-19.44		kcal/mol
+	-Vm		5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89
+
+Na+ = Na+ 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-57.433		kcal/mol
+	-Vm		2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14
+
+Ni+2 = Ni+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-12.9		kcal/mol
+	-Vm		-1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88
+
+H2O = H2O 
+	-llnl_gamma	3	
+        log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-68.317		kcal/mol
+
+SO4-2 = SO4-2 
+	-llnl_gamma	4	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-217.4		kcal/mol
+	-Vm		8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14
+
+Sc+3 = Sc+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-146.8		kcal/mol
+	-Vm		-2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97
+
+SiO2 = SiO2 
+	-llnl_gamma	3	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-209.775	kcal/mol
+	-Vm		1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89
+
+Sm+3 = Sm+3 
+	-llnl_gamma	9	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-165.2		kcal/mol
+	-Vm		-3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88
+
+Th+4 = Th+4 
+	-llnl_gamma	11	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-183.8		kcal/mol
+	-Vm		-4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97
+
+Ti(OH)4 = Ti(OH)4 
+	-llnl_gamma	3	
+	log_k		0
+#	deltafH		-0		kcal/mol
+	-Vm		7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01
+
+UO2+2 = UO2+2 
+	-llnl_gamma	4.5	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-1019		kJ/mol
+	-Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97
+
+Zn+2 = Zn+2 
+	-llnl_gamma	6	
+	log_k		0
+	-delta_H	0		kJ/mol
+#	deltafH		-36.66		kcal/mol
+	-Vm		-1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14
+
+#-------------------
+# 40 Redox couples
+#-------------------
+
+2H2O = O2 + 4H+ + 4e-  
+	-CO2_llnl_gamma
+	log_k		-85.9951
+	-delta_H	559.543		kJ/mol
+#	deltafH		-2.9		kcal/mol
+	-analytic	38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
+#	Range		0-350
+	-Vm		5.7889 6.3536 3.2528 -3.0417 -0.3943
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ = HS- + 2 O2  
+	-llnl_gamma	3.5    
+	log_k		-138.3169
+	-delta_H	869.226		kJ/mol
+#	deltafH		-3.85		kcal/mol
+	-analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
+#	Range		0-350
+	-Vm		5.0119 4.9799 3.4765 -2.9849 1.44100
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+.5 O2 + 2 HS- = S2-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		33.2673
+#	deltafH		-0		kcal/mol
+	-analytic	0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
+	-mass_balance	S(-2)2
+#	Range		0-350
+	-Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2  = S2O3-2 + O2 + H2O
+	-llnl_gamma	4.0    
+	log_k		-40.2906
+#	deltafH		-0		kcal/mol
+	-analytic	0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
+#	Range		0-350
+	-Vm		6.6685 12.4951 -7.7281 -3.2955 2.96940
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+H+ + HCO3- + H2O = CH4 + 2 O2
+	-llnl_gamma	3.0    
+	log_k		-144.1412
+	-delta_H	863.599		kJ/mol
+#	deltafH		-21.01		kcal/mol
+	-analytic	-0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
+#	Range		0-350
+	-Vm		6.7617 8.7279 2.3212 -3.1397 -0.31790
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
+	-llnl_gamma	3.0    
+	log_k		-228.6072
+#	deltafH		-0		kcal/mol
+	#analytic	-0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
+	-analytic	-491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
+#	Range		0-350
+	-Vm		8.75 13.1051 1.6258 -3.3207 -0.06270
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+2 H+ + 2 HCO3- = C2H4 + 3 O2
+	-llnl_gamma	3.0
+	log_k		-254.5034
+	-delta_H	1446.6		kJ/mol
+#	deltafH		24.65		kcal/mol
+	#analytic	-0.30329e2 0.71187e-1 -0.73140e5
+	-analytic	6e-2 3.60e-2 -7.17e4
+#	Range		0-350
+	-Vm		7.856 12.6391 -1.8737 -3.3014 -0.4
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CO + H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-41.7002
+	-delta_H	277.069		kJ/mol
+#	deltafH		-28.91		kcal/mol
+	-analytic	1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
+#	Range		0-350
+	-Vm		6.2373 7.4498 2.8184 -3.0869 -0.37150
+#	Extrapol	supcrt92
+#	Ref		SM93
+ 
+Cl- + 0.5 O2 = ClO-   
+	-llnl_gamma	4.0    
+	log_k		-15.1014
+	-delta_H	66.0361		kJ/mol
+#	deltafH		-25.6		kcal/mol
+	-analytic	6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
+#	Range		0-350
+	-Vm		2.3599 -2.0164 6.5356 -2.6955 1.47670
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+O2 + Cl- = ClO2-   
+	-llnl_gamma	4.0    
+	log_k		-23.108
+	-delta_H	112.688		kJ/mol
+#	deltafH		-15.9		kcal/mol
+	-analytic	3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
+#	Range		0-350
+	-Vm		5.2163 4.958 3.7949 -2.9839 1.2637
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+1.5 O2 + Cl- = ClO3-   
+	-llnl_gamma	3.5    
+	log_k		-17.2608
+	-delta_H	81.3077		kJ/mol
+#	deltafH		-24.85		kcal/mol
+	-analytic	2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
+#	Range		0-350
+	-Vm		7.1665 9.7172 1.9307 -3.1807 1.0418
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + Cl- = ClO4-   
+	-llnl_gamma	3.5    
+	log_k		-15.7091
+	-delta_H	62.0194		kJ/mol
+#	deltafH		-30.91		kcal/mol
+	-analytic	7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
+#	Range		0-350
+	-Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-11.4845
+	-delta_H	10.3198		kJ/mol
+#	deltafH		22		kcal/mol
+	-analytic	-2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
+#	Range		0-350
+	-Vm		-2.8678 -14.7777 11.5439 -2.1680 2.6901
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 
+	-llnl_gamma	4.5    
+	log_k		-21.6373
+	-delta_H	153.829		kJ/mol
+#	deltafH		-34.3		kcal/mol
+	-analytic	6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
+#	Range		0-350
+	-Vm		-0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C 
+
+5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 
+	-llnl_gamma	9.0    
+	log_k		8.3842
+	-delta_H	-81.0336	kJ/mol
+#	deltafH		-57		kcal/mol
+	-analytic	5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
+#	Range		0-350
+	-Vm		-2.7824 -14.5709 11.4661 -2.1765 2.7403
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
+ 
+Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-18.7704
+	-delta_H	145.877		kJ/mol
+#	deltafH		17.132		kcal/mol
+	-analytic	3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
+#	Range		0-350
+	-Vm		0.807 -5.804 8.0165 -2.5390 0.40460
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-27.5115
+	-delta_H	217.708		kJ/mol
+#	deltafH		-126.1		kcal/mol
+	-analytic	3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
+#	Range		0-350
+	-Vm		0.0407 -7.6776 8.7578 -2.4615 1.0929
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O 
+	-llnl_gamma	9.0    
+	log_k		8.4899
+	-delta_H	-97.209		kJ/mol
+#	deltafH		-11.85		kcal/mol
+	-analytic	-1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
+#	Range		0-350
+	-Vm		-2.4256 -13.6961 11.1141 -2.2127 2.58120
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+H2O = H2 + 0.5 O2   
+	-CO2_llnl_gamma
+	log_k		-46.1066
+	-delta_H	275.588		kJ/mol
+#	deltafH		-1		kcal/mol
+	-analytic	6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
+#	Range		0-350
+	-Vm		5.1427 4.7758 3.8729 -2.9764 -0.209
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+SO4-2 + H+ + 0.5 O2 = HSO5-  
+	-llnl_gamma	4.0    
+	log_k		-17.2865
+	-delta_H	140.038		kJ/mol
+#	deltafH		-185.38		kcal/mol
+	-analytic	5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
+#	Range		0-350
+	-Vm		8.9391 14.043 0.2349 -3.3594 0.86110
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-4.0811
+	-delta_H	-65.2892	kJ/mol
+#	deltafH		-34.895		kcal/mol
+	-analytic	3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
+#	Range		0-350
+	-Vm		-2.932 -14.934 11.6041 -2.1615 2.70250
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 76mac match
+
+2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ 
+	-llnl_gamma	4.0    
+	log_k		-32.4146
+	-delta_H	151.703		kJ/mol
+#	deltafH		-156		kcal/mol
+	-analytic	-1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
+#	Range		0-350
+	-Vm		5.6596 6.0368 3.3786 -3.0285 2.98030
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 NH3 + 1.5 O2 = N2 + 3 H2O  
+	-llnl_gamma	3.0    
+	log_k		116.4609
+	-delta_H	-687.08		kJ/mol
+#	deltafH		-2.495		kcal/mol
+	-analytic	-8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
+#	Range		0-350
+	-Vm		6.2046 7.3685 2.8539 -3.0836 -0.34680
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+1.5 O2 + NH3 = NO2- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		+46.8653
+	-delta_H	-290.901	kJ/mol
+#	deltafH		-25		kcal/mol
+	-analytic	-1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
+#	Range		0-350
+	-Vm		5.5864 5.859 3.4472 -3.0212 1.18470
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 O2 + NH3 = NO3- + H+ + H2O 
+	-llnl_gamma	3.0    
+	log_k		62.1001
+	-delta_H	-387.045	kJ/mol
+#	deltafH		-49.429		kcal/mol
+	-analytic	-3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
+#	Range		0-350
+	-Vm		7.3161 6.7824 -4.6838 -3.0594 1.09770
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
+	-llnl_gamma	5.0    
+	log_k		-25.2076
+#	deltafH		-0		kcal/mol
+	-analytic	-2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
+#	Range		0-350
+	-Vm		6.6784 8.528 2.3917 -3.1314 2.87720
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		41.8289
+#	deltafH		-0		kcal/mol
+	-analytic	0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
+#	Range		0-350
+	-Vm		8.2257 12.3054 0.9087 -3.2876 2.75870
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		70.7489
+#	deltafH		-0		kcal/mol
+	-analytic	0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
+#	Range		0-350
+	-Vm		13.3622 24.8454 -4.0153 -3.8061 2.32810
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+O2 + H+ + 3 HS- = S3-2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		79.3915
+#	deltafH		-0		kcal/mol
+	-analytic	-0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
+	-mass_balance	S(-2)3
+#	Range		0-350
+	-Vm		6.7661 8.7396 2.315 -3.1403 2.97490
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
+	-llnl_gamma	4.0    
+	log_k		-6.2316
+#	deltafH		-0		kcal/mol
+	-analytic	0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
+#	Range		0-350
+	-Vm		8.4155 12.7691 0.7268 -3.3068 2.71310
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		125.2958
+#	deltafH		-0		kcal/mol
+	-analytic	0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
+	-mass_balance	S(-2)4
+#	Range		0-350
+	-Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+4 SO3-2 + 6 H+  = S4O6-2 + 1.5 O2 + 3 H2O
+	-llnl_gamma	4.0    
+	log_k		-38.3859
+#	deltafH		-0		kcal/mol
+	-analytic	0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
+#	Range		0-350
+	-Vm		10.2672 17.2902 -1.0502 -3.4937 2.28050
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		170.9802
+#	deltafH		-0		kcal/mol
+	-analytic	0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
+	-mass_balance	S(-2)5
+#	Range		0-350
+	-Vm		9.1107 14.4645 0.0649 -3.3770 2.70510
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
+	-llnl_gamma	4.0    
+	log_k		-99.4206
+#	deltafH		-0		kcal/mol
+	-analytic	0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
+#	Range		0-350
+	-Vm		8.8725 13.8806 0.2986 -3.3527 2.60760
+#	Extrapol	supcrt92
+#	Ref		SSW+97
+
+H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
+	-llnl_gamma	3.5    
+	log_k		3.0070
+#	deltafH		-0		kcal/mol
+	-analytic	0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
+#	Range		0-350
+	-Vm		7.0244 9.3687 2.0708 -3.1662 1.10730
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+SO4-2 = SO3-2 + 0.5 O2   
+	-llnl_gamma	4.5    
+	log_k		-46.6244
+	-delta_H	267.985		kJ/mol
+#	deltafH		-151.9		kcal/mol
+	-analytic	-1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
+#	Range		0-350
+	-Vm		2.4632 -1.7691 6.4494 -2.7058 3.321
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 
+	-llnl_gamma	4.5    
+	log_k		-47.9624
+	-delta_H	326.911		kJ/mol
+#	deltafH		-120.5		kcal/mol
+	-analytic	-1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
+#	Range		0-350
+	-Vm		-0.0353 -7.8592 8.8194 -2.454 1.1512
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O 
+	-llnl_gamma	5.0    
+	log_k		-64.8028
+	-delta_H	377.881		kJ/mol
+#	deltafH		-489.1		kJ/mol
+	-analytic	2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
+#	Range		0-350
+	-Vm		-2.8438 -14.722 11.528 -2.1703 2.27520
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 
+	-llnl_gamma	5.5    
+	log_k		-33.9491
+	-delta_H	135.895		kJ/mol
+#	deltafH		-591.2		kJ/mol
+	-analytic	4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
+#	Range		0-350
+	-Vm		-4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 
+	-llnl_gamma	4.0    
+	log_k		-20.0169
+	-delta_H	133.759		kJ/mol
+#	deltafH		-1025.13	kJ/mol
+	-analytic	8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
+#	Range		0-350
+	-Vm		3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+#---------------------------
+# 156 other aqueous species
+#---------------------------
+
+2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-5.595
+	-delta_H	-46.8566	kJ/mol
+#	deltafH		-372.08		kcal/mol
+	-analytic	-4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
+#	Range		0-350
+	-Vm		8.9971 14.1844 0.1805 -3.3653 1.39180
+#	Extrapol	supcrt92
+#	Ref		SK93, differ by 2.2 log K at 0C, 1 log K at 300C
+ 
+2 H2O + Al+3 = AlO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-22.8833
+	-delta_H	180.899		kJ/mol
+#	deltafH		-222.079	kcal/mol
+	-analytic	1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
+#	Range		0-350
+	-Vm		3.7221 3.9954 -1.5879 -2.9441 1.74180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+H2O + Al+3 = AlOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-4.9571
+	-delta_H	49.798		kJ/mol
+#	deltafH		-185.096	kcal/mol
+	-analytic	-2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
+#	Range		0-350
+	-Vm		-1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+B(OH)3 = BO2- + H+ + H2O
+	-llnl_gamma	4.0    
+	log_k		-9.2449
+	-delta_H	16.3302		kJ/mol
+#	deltafH		-184.6		kcal/mol
+	-analytic	-1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
+#	Range		0-350
+	-Vm		-2.2428 -6.2065 -6.3216 -2.5224 1.75950
+#	Extrapol	supcrt92
+#	Ref		SH88
+ 
+HCO3- + H+ = CO2 + H2O
+	-CO2_llnl_gamma
+	log_k		6.3447
+	-delta_H	-9.7027		kJ/mol
+#	deltafH		-98.9		kcal/mol
+	-analytic	-1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
+#	Range		0-350
+	-Vm		6.2466 7.4711 2.8136 -3.0879 -0.1934
+#	Extrapol	supcrt92
+#	Ref		SSW01, SHS89
+
+HCO3- = CO3-2 + H+
+	-llnl_gamma	4.5    
+	log_k		-10.3288
+	-delta_H	14.6984		kJ/mol
+#	deltafH		-161.385	kcal/mol
+	-analytic	-6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
+#	Range		0-350
+	-Vm		2.8524 -3.9844 6.4142 -2.6143 3.39140
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + HCO3- = CN- + 2 H2O + 0.5 O2 
+	-llnl_gamma	3.0    
+	log_k		-56.0505
+	-delta_H	344.151		kJ/mol
+#	deltafH		36		kcal/mol
+	-analytic	-1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
+#	Range		0-350
+	-Vm		5.4714 5.5813 3.5497 -3.0096 1.29000
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+HCO3- + H+ = HCOOH + 0.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-39.0524
+	-analytic	-16.6 0.041 -10000 0 0 -1.205e-5
+#	Range		0-350
+	-Vm		6.3957 7.7713 2.8318 -3.1002 -0.33
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+HCOOH = HCOO- + H+
+	-llnl_gamma	3.5		# EQ3/6 data0.sup
+	log_k		-3.752994
+	-analytic	-6.456 0.01694 0 0 0 -2.71e-5
+#	Range		0-350
+	-Vm		5.7842 4.7242 7.363 -2.9742 1.3003
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 HCO3- + 2 H+ = CH3COOH + 2 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-141.99219
+	-analytic	-6.037 0.0104 -42362 0 0 3.604e-5
+#	Range		0-350
+	-Vm		11.6198 5.218 2.5088 -2.9946 -0.15
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+CH3COOH = CH3COO- + H+ 
+	-llnl_gamma	4.5         
+	log_k		-4.7572
+#	deltafH		-0		kcal/mol
+	-analytic	-0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
+#	Range		0-350
+	-Vm		7.7525 8.6996 7.5825 -3.1385 1.31820
+#	Extrapol	supcrt92
+#	Ref		Sho95
+
+2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		6.631821
+	-analytic	15.98 -4.41e-2 0 0 0 4.25e-5
+#	Range		0-350
+	-Vm		7.7158 7.3031 10.9353 -3.0808 -0.3006
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
+	-llnl_gamma	3.0		# thermo.com.V8.R6+.tdat
+	log_k		-363.088
+	-analytic	-8.04e2 1.877 0 0 0 -1.33e-3
+#	Range		0-350
+	-Vm		10.768 17.6785 -0.5878 -3.5097 -0.165
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H+ + HCO3- + H2O = CH3OH + 1.5 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-117.9046
+	-analytic	-262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
+#	Range		0-350
+	-Vm		6.9383 5.5146 11.4018 -3.0069 -0.14760
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-224.1415
+	-analytic	-423.8 0.989 -10003 0 0 -6.93e-4
+#	Range		0-350
+	-Vm		9.2333 9.9581 12.1445 -3.1906 -0.2037
+#	Extrapol	supcrt92
+#	Ref		SH90
+
+HCO3- + H+ = CH2O + O2
+	-llnl_gamma	3.0		# EQ3/6 data0.sup
+	log_k		-86.57248
+	-analytic	-17.3 0.0404 -24072 0 0 -6.57e-6
+#	Range		0-350
+	-Vm		5.3113 5.3139 3.3901 -2.9986 -0.3984
+#	Extrapol	supcrt92
+#	Ref		SS93
+
+2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.3814
+	-delta_H	-2.7196		kJ/mol
+#	deltafH		-362.65		kcal/mol
+	-analytic	-1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
+#	Range		0-350
+	-Vm		12.9911 23.9379 -3.6556 -3.7685 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Ca+2 + CH3COOH = CaCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.8263
+	-delta_H	1.17152		kJ/mol
+#	deltafH		-245.62		kcal/mol
+	-analytic	-8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
+#	Range		0-350
+	-Vm		5.9002 6.6232 3.1505 -3.0527 0.36360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Ca+2 = CaCO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-7.0017
+	-delta_H	30.5767		kJ/mol
+#	deltafH		-287.39		kcal/mol
+	-analytic	2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
+#	Range		0-350
+	-Vm		-0.3907 -8.7325 9.1753 -2.4179 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Cl- + Ca+2 = CaCl+
+	-llnl_gamma	4.0    
+	log_k		-0.6956
+	-delta_H	2.02087		kJ/mol
+#	deltafH		-169.25		kcal/mol
+	-analytic	8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
+#	Range		0-350
+	-Vm		2.7148 -1.1497 6.1949 -2.7314 0.48620
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Ca+2 = CaCl2
+	-llnl_gamma	3.0    
+	log_k		-0.6436
+	-delta_H	-5.8325		kJ/mol
+#	deltafH		-211.06		kcal/mol
+	-analytic	1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
+#	Range		0-350
+	-Vm		6.2187 7.4058 2.8322 -3.0851 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+SO4-2 + Ca+2 = CaSO4
+	-llnl_gamma	3.0    
+	log_k		2.1111
+	-delta_H	5.4392		kJ/mol
+#	deltafH		-345.9		kcal/mol
+	-analytic	2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
+#	Range		0-350
+	-Vm		2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1468
+	-delta_H	-22.4262	kJ/mol
+#	deltafH		-251.46		kcal/mol
+	-analytic	-2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
+#	Range		0-350
+	-Vm		11.9141 21.312 -2.6321 -3.6599 3.49629
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.281
+	-delta_H	-48.2415	kJ/mol
+#	deltafH		-373.73		kcal/mol
+	-analytic	6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
+#	Range		0-350
+	-Vm		20.3474 41.8989 -10.7127 -4.5110 1.47140
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + CH3COOH = CoCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.2985
+	-delta_H	-8.70272	kJ/mol
+#	deltafH		-132.08		kcal/mol
+	-analytic	-5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
+#	Range		0-350
+	-Vm		5.0294 4.4992 3.9806 -2.9649 0.64720
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Co+2 + Cl- = CoCl+
+	-llnl_gamma	4.0    
+	log_k		0.1547
+	-delta_H	1.71962		kJ/mol
+#	deltafH		-53.422		kcal/mol
+	-analytic	1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
+#	Range		0-350
+	-Vm	1.8028 -3.3766 7.0702 -2.6394 0.71910
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 74nau/ryz match
+ 
+2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		14.5192
+	-delta_H	-13.8783	kJ/mol
+#	deltafH		-356.2		kcal/mol
+	-analytic	1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
+#	Range		0-350
+	-Vm		12.4303 22.568 -3.1161 -3.7119 2.12160
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-5.8824
+	-delta_H	-25.899		kJ/mol
+#	deltafH		-222.69		kcal/mol
+	-analytic	-2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
+#	Range		0-350
+	-Vm		11.8801 21.2264 -2.5925 -3.6564 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2139
+	-delta_H	-19.5476	kJ/mol
+#	deltafH		-219.74		kcal/mol
+	-analytic	-3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
+#	Range		0-350
+	-Vm		15.0715 29.0205 -5.6592 -3.9786 1.06910
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-9.3788
+	-delta_H	-53.2205	kJ/mol
+#	deltafH		-345.32		kcal/mol
+	-analytic	3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
+#	Range		0-350
+	-Vm		20.2654 41.7019 -10.6422 -4.5029 1.3408
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Cu+ + CH3COOH = CuCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4274
+	-delta_H	-4.19237	kJ/mol
+#	deltafH		-99.97		kcal/mol
+	-analytic	6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
+#	Range		0-350
+	-Vm		7.3009 10.0483 1.7946 -3.1943 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Cu+2 + CH3COOH = CuCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.5252
+	-delta_H	-11.3805	kJ/mol
+#	deltafH		-103.12		kcal/mol
+	-analytic	-1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
+#	Range		0-350
+	-Vm		4.9722 4.362 4.029 -2.9592 0.56810
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.6912
+	-delta_H	-28.3257	kJ/mol
+#	deltafH		-383.67		kcal/mol
+	-analytic	-2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
+#	Range		0-350
+	-Vm		9.3029 14.9307 -0.1123 -3.3961 0.7384
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.9824
+	-delta_H	-47.3629	kJ/mol
+#	deltafH		-504.32		kcal/mol
+	-analytic	-3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
+#	Range		0-350
+	-Vm		16.6413 32.8512 -7.1605 -4.137 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Eu+3 + CH3COOH = EuCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9571
+	-delta_H	-14.5603	kJ/mol
+#	deltafH		-264.28		kcal/mol
+	-analytic	-1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
+#	Range		0-350
+	-Vm		2.75 -1.0666 6.169 -2.7348 1.5269
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Eu+3 = EuCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.4057
+	-delta_H	90.7844		kJ/mol
+#	deltafH		-287.9		kcal/mol # OBIGT: -311.27 kcal/mol HSS95
+	-analytic	2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
+#	Range		0-350
+	-Vm		-0.9842 -10.1779 9.7343 -2.3581 1.2465
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+2 + Cl- = EuCl+
+	-llnl_gamma	4.0    
+	log_k		0.3819
+	-delta_H	8.50607		kJ/mol
+#	deltafH		-164		kcal/mol
+	-analytic	6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
+#	Range		0-350
+	-Vm		5.1742 4.8499 3.8487 -2.9794 0.2557
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Eu+3 + Cl- = EuCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	13.9453		kJ/mol
+#	deltafH		-181.3		kcal/mol
+	-analytic	7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
+#	Range		0-350
+	-Vm		-0.3777 -8.6968 9.1514 -2.4194 1.4671
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Eu+3 = EuCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	18.6857		kJ/mol
+#	deltafH		-220.1		kcal/mol # OBIGT: -204.6 kcal/mol HSS95
+	-analytic	2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
+#	Range		0-350
+	-Vm		9.1152 14.474 0.0641 -3.3773 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+3 = EuCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	11.2926		kJ/mol
+#	deltafH		-261.8		kcal/mol
+	-analytic	4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
+#	Range		0-350
+	-Vm		6.2132 7.3881 2.8493 -3.0843 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Eu+2 = EuCl3-
+	-llnl_gamma	4.0    
+	log_k		2.0253
+	-delta_H	-3.76978	kJ/mol
+#	deltafH		-246.8		kcal/mol
+	-analytic	1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
+#	Range		0-350
+	-Vm		13.946 26.2721 -4.579 -3.865 0.9527
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+3 = EuCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-9.90771	kJ/mol
+#	deltafH		-306.8		kcal/mol
+	-analytic	4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
+#	Range		0-350
+	-Vm		10.9946 19.066 -1.7473 -3.5671 1.787
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Eu+2 = EuCl4-2
+	-llnl_gamma	4.0    
+	log_k		2.8470
+	-delta_H	-19.9493	kJ/mol
+#	deltafH		-290.6		kcal/mol
+	-analytic	-1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
+#	Range		0-350
+	-Vm		19.473 39.7656 -9.8784 -4.4228 2.4755
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Eu+3 = EuH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-17.0916	kJ/mol
+#	deltafH		-457.6		kcal/mol
+	-analytic	1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
+#	Range		0-350
+	-Vm		1.4946 -4.1236 7.3517 -2.6084 1.5372
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Eu+3 = EuHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6258
+	-delta_H	8.77803		kJ/mol
+#	deltafH		-307.5		kcal/mol
+	-analytic	3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
+#	Range		0-350
+	-Vm		0.4928 -6.572 8.3198 -2.5072 1.286
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+NO3- + Eu+3 = EuNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8745
+	-delta_H	-32.0955	kJ/mol
+#	deltafH		-201.8		kcal/mol
+	-analytic	1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
+#	Range		0-350
+	-Vm		1.2198 -4.7951 7.6178 -2.5807 1.6556
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Eu+3 = EuO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	110.947		kJ/mol
+#	deltafH		-186.5		kcal/mol # OBIGT: -177.81 kcal/mol HSS95
+	-analytic	1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
+#	Range		0-350
+	-Vm		2.7458 -1.0743 6.1663 -2.7345 0.4322
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.5066
+	-delta_H	281.307		kJ/mol
+#	deltafH		-214.1		kcal/mol # OBIGT: -219.06 kcal/mol HSS95
+	-analytic	7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
+#	Range		0-350
+	-Vm		4.8468 4.0541 4.1548 -2.9465 1.1424
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Eu+3 = EuO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.4173
+	-delta_H	222.313		kJ/mol
+#	deltafH		-228.2		kcal/mol
+	-analytic	3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
+#	Range		0-350
+	-Vm		4.8064 3.954 4.1968 -2.9424 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+H2O + Eu+3 = EuOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	78.0065		kJ/mol
+#	deltafH		-194.373	kcal/mol
+	-analytic	6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
+#	Range		0-350
+	-Vm		2.6569 -1.2969 6.2659 -2.7253 1.1815
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Eu+3 = EuSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	62.3416		kJ/mol
+#	deltafH		-347.2		kcal/mol # OBIGT: -357.2 kcal/mol HSS95
+	-analytic	3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
+#	Range		0-350
+	-Vm		1.4399 -4.2627 7.4184 -2.6027 0.779
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.0295
+	-delta_H	-20.2924	kJ/mol
+#	deltafH		-259.1		kcal/mol
+	-analytic	-2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
+#	Range		0-350
+	-Vm		12.1698 21.937 -2.8791 -3.6858 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Fe+2 + CH3COOH = FeCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4671
+	-delta_H	-3.80744	kJ/mol
+#	deltafH		-139.06		kcal/mol
+	-analytic	-1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
+#	Range		0-350
+	-Vm		5.2246 4.9785 3.7863 -2.9848 0.57560
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+Fe+2 + Cl- = FeCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1605
+	-delta_H	3.02503		kJ/mol
+#	deltafH		-61.26		kcal/mol
+	-analytic	8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
+#	Range		0-350
+	-Vm		2.1468 -2.5367 6.7401 -2.6741 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Fe+3 + Cl- = FeCl+2
+	-llnl_gamma	4.5    
+	log_k		-0.8108
+	-delta_H	36.6421		kJ/mol
+#	deltafH		-180.018	kJ/mol
+	-analytic	1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
+#	Range		0-350
+	-Vm		-0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C
+
+2 Cl- + Fe+2 = FeCl2
+	-llnl_gamma	3.0    
+	log_k		-2.4541
+	-delta_H	6.46846		kJ/mol
+#	deltafH		-100.37		kcal/mol
+	-analytic	1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
+#	Range		0-350
+	-Vm		5.5057 5.665 3.5164 -3.0131 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
+ 
+H2O + Fe+2 = FeOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-9.5
+	-analytic	1.706e-1 0 -2.883e3
+#	Range		0-350
+	-Vm		-0.2561 -8.4039 9.0457 -2.4315 0.7003
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+03,08 match
+ 
+H2O + Fe+3 = FeOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.19
+#	deltafH		-0		kcal/mol
+	-analytic	5.300 0 -2.272e3
+#	Range		0-350
+	-Vm		-1.1562 -10.6009 9.9077 -2.3407 1.43820
+#	Extrapol	supcrt92
+#	Ref		SSW+97, Marion+08 match
+ 
+2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.9625
+	-delta_H	-22.3426	kJ/mol
+#	deltafH		-401.74		kcal/mol
+	-analytic	-4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
+#	Range		0-350
+	-Vm		9.4165 15.2134 -0.2342 -3.4078 0.6223
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-8.3489
+	-delta_H	-37.9907	kJ/mol
+#	deltafH		-521.58		kcal/mol
+	-analytic	-8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
+#	Range		0-350
+	-Vm		16.8116 33.2662 -7.3215 -4.1541 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+  
+Gd+3 + CH3COOH = GdCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-2.1037
+	-delta_H	-11.7152	kJ/mol
+#	deltafH		-283.1		kcal/mol
+	-analytic	-1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
+#	Range		0-350
+	-Vm		2.8605 -0.7945 6.0567 -2.7461 1.4477
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+HCO3- + Gd+3 = GdCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.9476		kJ/mol
+#	deltafH		-307.6		kcal/mol # OBIGT: -330.22 kcal/mol HSS95
+	-analytic	2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
+#	Range		0-350
+	-Vm		-0.953 -10.1036 9.7095 -2.3612 1.1729
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Gd+3 + Cl- = GdCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.7821		kJ/mol
+#	deltafH		-200.6		kcal/mol
+	-analytic	8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
+#	Range		0-350
+	-Vm		-0.263 -8.417 9.0425 -2.4309 1.4006
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Gd+3 = GdCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	21.1961		kJ/mol
+#	deltafH		-239		kcal/mol
+	-analytic	2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
+#	Range		0-350
+	-Vm		2.8492 -0.8272 6.0803 -2.7447 0.6305
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Gd+3 = GdCl3
+	-llnl_gamma	3.0    
+	log_k		-0.4669
+	-delta_H	15.895		kJ/mol
+#	deltafH		-280.2		kcal/mol
+	-analytic	4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
+#	Range		0-350
+	-Vm		6.3836 7.8028 2.6888 -3.1015 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Gd+3 = GdCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.8913
+	-delta_H	-1.53971	kJ/mol
+#	deltafH		-324.3		kcal/mol
+	-analytic	4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
+#	Range		0-350
+	-Vm		11.1317 19.3995 -1.8761 -3.5809 1.631
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HPO4-2 + H+ + Gd+3 = GdH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-14.9996	kJ/mol
+#	deltafH		-476.6		kcal/mol
+	-analytic	1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
+#	Range		0-350
+	-Vm		1.6048 -3.8632 7.2686 -2.6192 1.4574
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+HCO3- + Gd+3 = GdHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.6991
+	-delta_H	10.0332		kJ/mol
+#	deltafH		-326.7		kcal/mol
+	-analytic	4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
+#	Range		0-350
+	-Vm		0.6026 -6.3043 8.2153 -2.5183 1.2048
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+NO3- + Gd+3 = GdNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.4347
+	-delta_H	-25.8195	kJ/mol
+#	deltafH		-219.8		kcal/mol
+	-analytic	2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
+#	Range		0-350
+	-Vm		1.3205 -4.5535 7.5323 -2.5907 1.5475
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.337
+	-delta_H	113.039		kJ/mol
+#	deltafH		-205.5		kcal/mol # OBIGT: -196.63 kcal/mol HSS95
+	-analytic	2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
+#	Range		0-350
+	-Vm		2.8425 -0.8409 6.0801 -2.7441 0.3539
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-34.4333
+	-delta_H	283.817		kJ/mol
+#	deltafH		-233		kcal/mol # OBIGT: -237.73 kcal/mol HSS95
+	-analytic	1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
+#	Range		0-350
+	-Vm		5.0344 4.5111 3.9769 -2.9654 1.0495 -1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Gd+3 = GdO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.2707
+	-delta_H	224.405		kJ/mol
+#	deltafH		-247.2		kcal/mol
+	-analytic	3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
+#	Range		0-350
+	-Vm		5.0117 4.4582 3.9917 -2.9632 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+H2O + Gd+3 = GdOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9075
+	-delta_H	79.9855		kJ/mol
+#	deltafH		-213.4		kcal/mol # OBIGT: 212.9 kcal/mol HSS95
+	-analytic	8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
+#	Range		0-350
+	-Vm		2.7389 -1.0936 6.1786 -2.7337 1.1
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+SO4-2 + Gd+3 = GdSO4+
+	-llnl_gamma	4.0    
+	log_k		-3.687
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-376.8		kcal/mol
+	-analytic	3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
+	#analytic	3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
+#	Range		0-350
+	-Vm		1.4776 -4.1705 7.3822 -2.6065 0.7287
+#	Extrapol	supcrt92
+#	Ref		HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
+ 
+2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		12.0709
+	-delta_H	19.7192		kJ/mol
+#	deltafH		-544.6		kcal/mol
+	-analytic	1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
+#	Range		0-350
+	-Vm		9.0963 14.4299 0.076 -3.3754 2.62180
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+HPO4-2 + H+ = H2PO4-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	-4.20492	kJ/mol
+#	deltafH		-309.82		kcal/mol
+	-analytic	8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
+#	Range		0-350
+	-Vm		6.4875 8.0594 2.5823 -3.1122 1.3003
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+HS- + H+ = H2S
+	-llnl_gamma	3.0    
+	log_k		6.9877
+	-delta_H	-21.5518	kJ/mol
+#	deltafH		-9.001		kcal/mol
+	-analytic	3.9283e1 2.8727e-2  1.3477e3 -1.8331e1  2.1018e1
+#	Range		0-350
+	-Vm		7.81 2.96 -0.46 # phreeqc.dat
+#	Extrapol	supcrt92	
+#	Ref		SSW01, SHS89
+
+3 H+ + 2 HPO4-2 = H3P2O7- + H2O
+	-llnl_gamma	4.0    
+	log_k		14.4165
+	-delta_H	21.8112		kJ/mol
+#	deltafH		-544.1		kcal/mol
+	-analytic	2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
+#	Range		0-350
+	-Vm		9.1292 14.5122 0.0398 -3.3788 0.8568
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + HPO4-2 = H3PO4
+	-llnl_gamma	3.0    
+	log_k		9.3751
+	-delta_H	3.74468		kJ/mol
+#	deltafH		-307.92		kcal/mol
+	-analytic	1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
+#	Range		0-350
+	-Vm		8.2727 12.4182 0.8691 -3.2924 -0.22
+#	Extrapol	supcrt92
+#	Ref		SHS89
+ 
+4 H+ + 2 HPO4-2 = H4P2O7 + H2O
+	-llnl_gamma	3.0    
+	log_k		15.9263
+	-delta_H	29.7226		kJ/mol
+#	deltafH		-2268.6		kJ/mol
+	-analytic	6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
+#	Range		0-350
+	-Vm		9.2975 14.9199 -0.113 -3.3957 -0.62920
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82
+ 
+2 H2O + Al+3 = HAlO2 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-16.4329
+	-delta_H	144.704		kJ/mol
+#	deltafH		-230.73		kcal/mol
+	-analytic	4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
+#	Range		0-350
+	-Vm		3.5338 0.8485 5.4132 -2.8140 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel
+ 
+H+ + CN- = HCN
+	-llnl_gamma	3.0    
+	log_k		9.2359
+	-delta_H	-43.5136	kJ/mol
+#	deltafH		25.6		kcal/mol
+	-analytic	1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
+#	Range		0-350
+	-Vm		8.0083 11.7705 1.1286 -3.2655 -0.1113
+#	Extrapol	supcrt92
+#	Ref		SM93
+
+H+ + Cl- = HCl
+	-llnl_gamma	3.0    
+	log_k		-0.67
+#	deltafH		-0		kcal/mol
+	-analytic	4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
+#	Range		0-350
+	-Vm		1.2547 -4.7177 7.6043 -2.5840 -0.7
+#	Extrapol	supcrt92, ?
+#	Ref		MS97, 87rua/sew match
+ 
+H+ + CrO4-2 = HCrO4-
+	-llnl_gamma	4.0    
+	log_k		6.4944
+	-delta_H	2.9288		kJ/mol
+#	deltafH		-209.9		kcal/mol
+	-analytic	4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
+#	Range		0-350
+	-Vm		8.2211 12.2925 0.9174 -3.2871 0.923
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+NO2- + H+ = HNO2
+	-llnl_gamma	3.0    
+	log_k		3.2206
+	-delta_H	-14.782		kJ/mol
+#	deltafH		-119.382	kJ/mol
+	-analytic	1.9653 -1.1603e-4 0 0 1.1569e5
+#	Range		0-350
+	-Vm		5.9151 6.659 3.1378 -3.0542 -0.1507
+#	Extrapol	supcrt92, 69hel
+#	Ref		SSW+97, WEP+82 match
+
+NO3- + H+ = HNO3
+	-llnl_gamma	3.0    
+	log_k		-1.3025
+	-delta_H	16.8155		kJ/mol
+#	deltafH		-45.41		kcal/mol
+	-analytic	9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
+#	Range		0-350
+	-Vm		7.1623 9.7063 1.9367 -3.1802 -0.3066
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SHS89
+
+2 HPO4-2 + H+ = HP2O7-3 + H2O
+	-llnl_gamma	4.0    
+	log_k		5.4498
+	-delta_H	23.3326		kJ/mol
+#	deltafH		-2274.99	kJ/mol
+	-analytic	3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
+#	Range		0-350
+	-Vm		8.3302 12.5558 0.8208 -3.2980 4.647
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
+ 
+SO3-2 + H+ = HSO3-
+	-llnl_gamma	4.0    
+	log_k		7.2054
+	-delta_H	9.33032		kJ/mol
+#	deltafH		-149.67		kcal/mol
+	-analytic	5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
+#	Range		0-350
+	-Vm		6.7014 8.5816 2.3771 -0.31338 1.1233
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SO4-2 + H+ = HSO4-
+	-llnl_gamma	4.0    
+	log_k		1.9791
+	-delta_H	20.5016		kJ/mol
+#	deltafH		-212.5		kcal/mol
+	-analytic	4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
+#	Range		0-350
+	-Vm		8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+SiO2 + H2O = HSiO3- + H+
+	-llnl_gamma	4.0    
+	log_k		-9.9525
+	-delta_H	25.991		kJ/mol
+#	deltafH		-271.88		kcal/mol
+	-analytic	6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
+#	Range		0-350
+	-Vm		2.9735 -0.5158 5.9467 -2.7575 1.5511
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-10.2914
+	-delta_H	-1.79912	kJ/mol
+#	deltafH		-292.9		kcal/mol
+	-analytic	-2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + CH3COOH = KCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-5.0211
+	-delta_H	4.8116		kJ/mol
+#	deltafH		-175.22		kcal/mol
+	-analytic	-2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
+#	Range		0-350
+	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+K+ + Cl- = KCl
+	-llnl_gamma	3.0    
+	log_k		-1.4946
+	-delta_H	14.1963		kJ/mol
+#	deltafH		-96.81		kcal/mol
+	-analytic	1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
+#	Range		0-350
+	-Vm		6.9932 9.297 2.0889 -3.1633 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97 
+ 
+SO4-2 + K+ + H+ = KHSO4
+	-llnl_gamma	3.0    
+	log_k		0.8136
+	-delta_H	29.8319		kJ/mol
+#	deltafH		-270.54		kcal/mol
+	-analytic	1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
+#	Range		0-350
+	-Vm		9.1226 14.4964 0.0453 -3.3782 -0.001
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + K+ = KSO4-
+	-llnl_gamma	4.0    
+	log_k		0.8796
+	-delta_H	2.88696		kJ/mol
+#	deltafH		-276.98		kcal/mol
+	-analytic	9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
+#	Range		0-350
+	-Vm		6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.2674
+	-delta_H	-24.7609	kJ/mol
+#	deltafH		-304.67		kcal/mol
+	-analytic	-3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
+#	Range		0-350
+	-Vm		16.3412 32.1211 -6.8785 -4.1068 1.2422
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + CH3COOH = LiCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.4589
+	-delta_H	-6.64419	kJ/mol
+#	deltafH		-184.24		kcal/mol
+	-analytic	-3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
+#	Range		0-350
+	-Vm		8.388 12.6976 0.7639 -3.3038 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Li+ + Cl- = LiCl
+	-llnl_gamma	3.0    
+	log_k		-1.5115
+	-delta_H	3.36812		kJ/mol
+#	deltafH		-105.68		kcal/mol
+	-analytic	1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
+#	Range		0-350
+	-Vm		5.5837 5.8554 3.4416 -3.021 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.473
+	-delta_H	-23.8195	kJ/mol
+#	deltafH		-349.26		kcal/mol
+	-analytic	-4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
+#	Range		0-350
+	-Vm		12.3982 22.4898 -3.0853 -3.7086 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mg+2 + CH3COOH = MgCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.4781
+	-delta_H	-8.42239	kJ/mol
+#	deltafH		-229.48		kcal/mol
+	-analytic	-2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
+#	Range		0-350
+	-Vm		5.4981 5.6424 3.5341 -3.0122 0.7483
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mg+2 + HCO3- = MgCO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-7.3499
+	-delta_H	23.8279		kJ/mol
+#	deltafH		-270.57		kcal/mol
+	-analytic	2.3465e2 5.5538e-2 -8.3947e3 -9.3104e1 -1.3106e2
+#	Range		0-350
+	-Vm		-0.7355 -9.5745 9.5062 -2.3831 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Mg+2 + Cl- = MgCl+
+	-llnl_gamma	4.0    
+	log_k		-0.1349
+	-delta_H	-0.58576	kJ/mol
+#	deltafH		-151.44		kcal/mol
+	-analytic	4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
+#	Range		0-350
+	-Vm		2.223 -2.3505 6.6669 -2.6818 0.84490
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+SO4-2 + Mg+2 = MgSO4
+	-llnl_gamma	3.0    
+	log_k		2.4117
+	-delta_H	19.6051		kJ/mol
+#	deltafH		-1355.96	kJ/mol
+	-analytic	1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
+#	Range		0-350
+	-Vm		2.4 -0.97 6.1 -2.74 # APP14
+#	Extrapol	supcrt92, 69hel
+#	Ref		MS97, 82mar/smi match
+
+2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.4547
+	-delta_H	-11.4893	kJ/mol
+#	deltafH		-287.67		kcal/mol
+	-analytic	-9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
+#	Range		0-350
+	-Vm		13.1542 24.3405 -3.8236 -3.7851 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.8747
+	-delta_H	-30.3591	kJ/mol
+#	deltafH		-408.28		kcal/mol
+	-analytic	-3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
+#	Range		0-350
+	-Vm		21.6217 45.0124 -11.9409 -4.6397 1.15360
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Mn+2 + CH3COOH = MnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.5404
+	-delta_H	-3.07942	kJ/mol
+#	deltafH		-169.56		kcal/mol
+	-analytic	-1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
+#	Range		0-350
+	-Vm		6.0776 7.057 2.9786 -3.0706 0.4555
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Mn+2 + Cl- = MnCl+
+	-llnl_gamma	4.0    
+	log_k		0.3013
+	-delta_H	18.3134		kJ/mol
+#	deltafH		-88.28		kcal/mol
+	-analytic	8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
+#	Range		0-350
+	-Vm		7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
+	-llnl_gamma	3.5    
+	log_k		-20.2963
+	-delta_H	123.112		kJ/mol
+#	deltafH		-129.4		kcal/mol
+	-analytic	1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
+#	Range		0-350
+	-Vm		7.8248 11.3277 1.2912 -3.2472 0.9248
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+SO4-2 + Mn+2 = MnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3529
+	-delta_H	14.1168		kJ/mol
+#	deltafH		-266.75		kcal/mol
+	-analytic	2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
+#	Range		0-350
+	-Vm		-1.31 -1.83 62.3 -2.7 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+ 
+2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
+	-llnl_gamma	4.0    
+	log_k		-0.1928
+	-delta_H	-56.735		kJ/mol
+#	deltafH		-265.2		kcal/mol
+	-analytic	3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
+#	Range		0-350
+	-Vm		19.3685 39.509 -9.7736 -4.4122 0.6495
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+NH3 + H+ = NH4+
+	-llnl_gamma	2.5    
+	log_k		9.2410
+	-delta_H	-51.9234	kJ/mol
+#	deltafH		-31.85		kcal/mol
+	-analytic	-1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
+#	Range		0-350
+	-Vm		3.8763 2.3448 8.5605 -2.8759 0.1502
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+NH3 + CH3COOH = NH4CH3COO
+	-llnl_gamma	3.0    
+	log_k		4.6964
+	-delta_H	-48.911		kJ/mol
+#	deltafH		-147.23		kcal/mol
+	-analytic	1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
+#	Range		0-350
+	-Vm		11.2849 19.7719 -2.0187 -3.5963 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-9.9989
+	-delta_H	-11.5771	kJ/mol
+#	deltafH		-292.4		kcal/mol
+	-analytic	-2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
+#	Range		0-350
+	-Vm		16.2062 31.7884 -6.7416 -4.0930 0.9633
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + CH3COOH = NaCH3COO + H+
+	-llnl_gamma	3.0    
+	log_k		-4.8606
+	-delta_H	-0.029288	kJ/mol
+#	deltafH		-173.54		kcal/mol
+	-analytic	6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
+#	Range		0-350
+	-Vm		8.3514 12.6125 0.7884 -3.3003 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Na+ + Cl- = NaCl
+	-llnl_gamma	3.0    
+	log_k		-0.777
+	-delta_H	5.21326		kJ/mol
+#	deltafH		-96.12		kcal/mol
+	-analytic	1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
+#	Range		0-350
+	-Vm		5.0364 4.5189 3.9669 -2.9658 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Na+ + HCO3- = NaHCO3
+	-llnl_gamma	3.0    
+	log_k		0.1541
+	-delta_H	-13.7741	kJ/mol
+#	deltafH		-944.007	kJ/mol
+	-analytic	-9.0668e1 -2.9866e-2 2.7947e3 3.6515e1 4.7489e1
+#	Range		0-200
+	-Vm		0.431 # APP14
+#	Extrapol	69hel
+#	Ref		WEP+82
+
+SiO2 + Na+ + H2O = NaHSiO3 + H+
+	-llnl_gamma	3.0    
+	log_k		-8.304
+	-delta_H	11.6524		kJ/mol
+#	deltafH		-332.74		kcal/mol
+	-analytic	3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
+#	Range		0-350
+	-Vm		3.4928 0.75 5.4483 -2.8100 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+Na+ + H2O = NaOH + H+
+	-llnl_gamma	3.0    
+	log_k		-14.7948
+	-delta_H	53.6514		kJ/mol
+#	deltafH		-112.927	kcal/mol
+	-analytic	8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
+#	Range		0-350
+	-Vm		2.2338 -2.3287 6.6683 -2.6826 -0.03
+#	Extrapol	supcrt92
+#	Ref		SSW+97, 95pok/hel match
+
+2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-7.1908
+	-delta_H	-25.8571	kJ/mol
+#	deltafH		-251.28		kcal/mol
+	-analytic	-2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
+#	Range		0-350
+	-Vm		11.1327 19.4031 -1.8801 -3.5810 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-11.3543
+	-delta_H	-53.6807	kJ/mol
+#	deltafH		-374.03		kcal/mol
+	-analytic	5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
+#	Range		0-350
+	-Vm		19.5212 39.8827 -9.9226 -4.4277 0.1603
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + CH3COOH = NiCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.3278
+	-delta_H	-10.2508	kJ/mol
+#	deltafH		-131.45		kcal/mol
+	-analytic	-3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
+#	Range		0-350
+	-Vm		4.3556 2.8512 4.6343 -2.8968 0.7287
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Ni+2 + Cl- = NiCl+
+	-llnl_gamma	4.0    
+	log_k		-0.9962
+	-delta_H	5.99567		kJ/mol
+#	deltafH		-51.4		kcal/mol
+	-analytic	9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
+#	Range		0-350
+	-Vm		1.1319 -5.0147 7.714 -2.5716 0.8111
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+H2O = OH- + H+
+	-llnl_gamma	3.5    
+	log_k		-13.9951
+	-delta_H	55.8146		kJ/mol
+#	deltafH		-54.977		kcal/mol
+	-analytic	-6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
+#	Range		0-350
+	-Vm		-9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SH88
+
+2 HPO4-2 = P2O7-4 + H2O
+	-llnl_gamma	4.0    
+	log_k		-3.7463
+	-delta_H	27.2256		kJ/mol
+#	deltafH		-2271.1		kJ/mol
+	-analytic	4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
+#	Range		0-350
+	-Vm		7.0687 9.4773 2.0273 -3.1707 6.9069
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
+ 
+HPO4-2 = PO4-3 + H+
+	-llnl_gamma	4.0    
+	log_k		-12.3218
+	-delta_H	14.7068		kJ/mol
+#	deltafH		-305.3		kcal/mol
+	-analytic	-7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
+#	Range		0-350
+	-Vm		-0.5258 -9.0576 9.2927 -2.4045 5.61140
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+ 
+2 H+ + 2 SO3-2 = S2O5-2 + H2O
+	-llnl_gamma	4.0    
+	log_k		9.5934
+#	deltafH		-0		kcal/mol
+	-analytic	0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
+#	Range		0-350
+	-Vm		7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
+#	Extrapol	supcrt92
+#	Ref		SSW+97, SH88
+
+2 H+ + SO3-2 = SO2 + H2O
+	-llnl_gamma	3.0    
+	log_k		9.0656
+	-delta_H	26.7316		kJ/mol
+#	deltafH		-77.194		kcal/mol
+	-analytic	9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
+#	Range		0-350
+	-Vm		6.9502 9.189 2.1383 -3.1589 -0.0559
+#	Extrapol	supcrt92
+#	Ref		SHS89
+
+2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-3.7237
+	-delta_H	-43.1789	kJ/mol
+#	deltafH		-389.32		kcal/mol
+	-analytic	-4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
+#	Range		0-350
+	-Vm		9.2794 14.8737 -0.0899 -3.3938 0.9706
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-6.6777
+	-delta_H	-70.0402	kJ/mol
+#	deltafH		-511.84		kcal/mol
+	-analytic	-5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
+#	Range		0-350
+	-Vm		16.5277 32.5748 -7.0539 -4.1255 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sc+3 + CH3COOH = ScCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.4294
+	-delta_H	-21.7568	kJ/mol
+#	deltafH		-268.1		kcal/mol
+	-analytic	-2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
+#	Range		0-350
+	-Vm		2.7175 -1.1437 6.1937 -2.7316 1.7013
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-4.7132
+	-delta_H	-25.5224	kJ/mol
+#	deltafH		-403.5		kcal/mol
+	-analytic	-1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
+#	Range		0-350
+	-Vm		9.159 14.5839 0.0138 -3.3818 0.6644
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-7.8798
+	-delta_H	-43.5554	kJ/mol
+#	deltafH		-523.91		kcal/mol
+	-analytic	-2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
+#	Range		0-350
+	-Vm		16.5088 32.5307 -7.0412 -4.1237 -0.03
+#	Extrapol	supcrt92
+#	Ref		SK93
+ 
+Sm+3 + CH3COOH = SmCH3COO+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-1.9205
+	-delta_H	-13.598		kJ/mol
+#	deltafH		-284.55		kcal/mol
+	-analytic	-1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
+#	Range		0-350
+	-Vm		2.6264 -1.3667 6.2827 -2.7224 1.4769
+#	Extrapol	supcrt92
+#	Ref		SK93
+
+Sm+3 + HCO3- = SmCO3+ + H+
+	-llnl_gamma	4.0    
+	log_k		-2.479
+	-delta_H	89.1108		kJ/mol
+#	deltafH		-308.8		kcal/mol # OBIGT: -331.34 kcal/mol HSS95
+	-analytic	2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
+#	Range		0-350
+	-Vm		-1.0455 -10.3293 9.798 -2.3519 1.1907
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + Cl- = SmCl+2
+	-llnl_gamma	4.5    
+	log_k		0.3086
+	-delta_H	14.3637		kJ/mol
+#	deltafH		-201.7		kcal/mol
+	-analytic	9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
+#	Range		0-350
+	-Vm		-0.5006 -8.9988 9.2743 -2.4069 1.4192
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 Cl- + Sm+3 = SmCl2+
+	-llnl_gamma	4.0    
+	log_k		-0.0425
+	-delta_H	19.9409		kJ/mol
+#	deltafH		-240.3		kcal/mol
+	-analytic	2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
+#	Range		0-350
+	-Vm		2.5888 -1.4617 6.3276 -2.7185 0.6644
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+3 Cl- + Sm+3 = SmCl3
+	-llnl_gamma	3.0    
+	log_k		-0.3936
+	-delta_H	13.803		kJ/mol
+#	deltafH		-281.7		kcal/mol
+	-analytic	4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
+#	Range		0-350
+	-Vm		6.0808 7.0673 2.9692 -3.0711 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+4 Cl- + Sm+3 = SmCl4-
+	-llnl_gamma	4.0    
+	log_k		-0.818
+	-delta_H	-5.30531	kJ/mol
+#	deltafH		-326.2		kcal/mol
+	-analytic	6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
+#	Range		0-350
+	-Vm		10.8148 18.6261 -1.5732 -3.5489 1.6917
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HPO4-2 + H+ = SmH2PO4+2
+	-llnl_gamma	4.5    
+	log_k		9.4484
+	-delta_H	-15.8364	kJ/mol
+#	deltafH		-477.8		kcal/mol
+	-analytic	1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
+#	Range		0-350
+	-Vm		1.3708 -4.4295 7.4801 -2.5958 1.4867
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + HCO3- = SmHCO3+2
+	-llnl_gamma	4.5    
+	log_k		1.7724
+	-delta_H	9.19643		kJ/mol
+#	deltafH		-327.9		kcal/mol
+	-analytic	5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
+#	Range		0-350
+	-Vm		0.3694 -6.8727 8.4365 -2.4948 1.2366
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + NO3- = SmNO3+2
+	-llnl_gamma	4.5    
+	log_k		0.8012
+	-delta_H	-29.1667	kJ/mol
+#	deltafH		-221.6		kcal/mol
+	-analytic	3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
+#	Range		0-350
+	-Vm		1.0908 -5.1124 7.7478 -2.5676 1.5897
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmO+ + 2 H+
+	-llnl_gamma	4.0    
+	log_k		-16.4837
+	-delta_H	113.039		kJ/mol
+#	deltafH		-206.5		kcal/mol # OBIGT: -197.63 kcal/mol HSS95
+	-analytic	1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
+#	Range		0-350
+	-Vm		2.8115 -0.9157 6.1076 -2.741 0.3837
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2- + 4 H+
+	-llnl_gamma	4.0    
+	log_k		-35.0197
+	-delta_H	285.909		kJ/mol
+#	deltafH		-233.5		kcal/mol # OBIGT: -238.22 kcal/mol HSS95
+	-analytic	1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
+#	Range		0-350
+	-Vm		4.9642 4.3393 4.0456 -2.9583 1.0848
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+2 H2O + Sm+3 = SmO2H + 3 H+
+	-llnl_gamma	3.0    
+	log_k		-25.9304
+	-delta_H	226.497		kJ/mol
+#	deltafH		-247.7		kcal/mol
+	-analytic	3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
+#	Range		0-350
+	-Vm		4.9296 4.2552 4.0768 -2.9548 -0.03
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + H2O = SmOH+2 + H+
+	-llnl_gamma	4.5    
+	log_k		-7.9808
+	-delta_H	79.1487		kJ/mol
+#	deltafH		-214.6		kcal/mol # OBIGT: -213.97 kcal/mol HSS95
+	-analytic	6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
+#	Range		0-350
+	-Vm		2.7076 -1.1676 6.2027 -2.7306 1.1289
+#	Extrapol	supcrt92
+#	Ref		HSS95
+
+Sm+3 + SO4-2 = SmSO4+
+	-llnl_gamma	4.0    
+	log_k		3.6430
+	-delta_H	20.0832		kJ/mol
+#	deltafH		-377.8		kcal/mol
+	-analytic	3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
+#	Range		0-350
+	-Vm		-1.3885 -4.3882 7.4678 -2.5975 0.7483
+#	Extrapol	supcrt92
+#	Ref		HSS95
+ 
+UO2+2 + H2O = UO2OH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-5.2073
+	-delta_H	43.1813		kJ/mol
+#	deltafH		-1261.66	kJ/mol
+	-analytic	3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
+#	Range		0-350
+	-Vm		4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
+#	Extrapol	supcrt92, 64cri/cob
+#	Ref		SSW+97, 92gre/fug match
+
+2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
+	-llnl_gamma	3.0    
+	log_k		-6.062
+	-delta_H	-11.0458	kJ/mol
+#	deltafH		-271.5		kcal/mol
+	-analytic	-2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
+#	Range		0-350
+	-Vm		11.7443 20.8978 -2.4707 -3.6429 -0.038
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+
+3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
+	-llnl_gamma	4.0    
+	log_k		-10.0715
+	-delta_H	25.355		kJ/mol
+#	deltafH		-378.9		kcal/mol
+	-analytic	3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
+#	Range		0-350
+	-Vm		20.0332 41.1373 -10.4257 -4.4796 1.2513
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+   
+Zn+2 + CH3COOH = ZnCH3COO+ + H+
+	-llnl_gamma	4.0    
+	log_k		-3.1519
+	-delta_H	-9.87424	kJ/mol
+#	deltafH		-155.12		kcal/mol
+	-analytic	-7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
+#	Range		0-350
+	-Vm		4.8484 4.06 4.1473 -2.9468 0.41
+#	Extrapol	supcrt92
+#	Ref		SSH97, SK93
+ 
+Zn+2 + Cl- = ZnCl+
+	-llnl_gamma	4.0    
+	log_k		0.1986
+	-delta_H	43.317		kJ/mol
+#	deltafH		-66.24		kcal/mol
+	-analytic	1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
+#	Range		0-350
+	-Vm		14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+2 Cl- + Zn+2 = ZnCl2
+	-llnl_gamma	3.0    
+	log_k		0.2507
+	-delta_H	31.1541		kJ/mol
+#	deltafH		-109.08		kcal/mol
+	-analytic	1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
+#	Range		0-350
+	-Vm		-10.1 4.57 241 -2.97 -1e-3 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+3 Cl- + Zn+2 = ZnCl3-
+	-llnl_gamma	4.0    
+	log_k		-0.0198
+	-delta_H	22.5894		kJ/mol
+#	deltafH		-151.06		kcal/mol
+	-analytic	1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
+#	Range		0-350
+	-Vm		0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97
+
+4 Cl- + Zn+2 = ZnCl4-2
+	-llnl_gamma	4.0    
+	log_k		0.8605
+	-delta_H	4.98733		kJ/mol
+#	deltafH		-195.2		kcal/mol
+	-analytic	8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
+#	Range		0-300
+	-Vm		28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
+#	Extrapol	supcrt92
+#	Ref		SSH97?
+ 
+Zn+2 + H2O = ZnOH+ + H+
+	-llnl_gamma	4.0    
+	log_k		-8.96
+#	deltafH		-0		kcal/mol
+	-analytic	-7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
+#	Range		25-300
+	-Vm		1.1499 -4.9677 7.6896 -2.5735 0.326
+#	Extrapol	supcrt92, ?
+#	Ref		SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
+ 
+Zn+2 + SO4-2 = ZnSO4
+	-llnl_gamma	3.0    
+	log_k		2.3062
+	-delta_H	15.277		kJ/mol
+#	deltafH		-1047.71	kJ/mol
+	-analytic	1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
+#	Range		0-200
+	-Vm		2.51 0 18.8 # APP14
+#	Extrapol	69hel
+#	Ref		WEP+82
+ 
+PHASES
+
+#------------
+# 375 solids
+#------------
+
+[(6)(CB)(CB)S]
+	S + O2 = SO2
+	log_k		63.04
+	-analytic	137.16 -0.320465 0 0 0 0.000241
+#	Range		0-350
+	-Vm		16.5
+#	Extrapol	supcrt92
+#	Ref		R01, calculations and fit by N17
+
+[(aro)-O-(aro)]
+	O = 0.5 O2
+	log_k		-20.610681
+	-delta_H	30.240		kcal/mol
+	-analytic	-46.6 0.111 0 0 0 -7.99e-5
+#	Range		0-350
+	-Vm		-2.4
+#	Extrapol	supcrt92
+#	Ref		RH98
+
+Afwillite
+	Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
+	log_k		60.0452
+	-delta_H	-316.059	kJ/mol
+#	deltafH		-1143.31	kcal/mol
+	-analytic	1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
+#	Range		0-300
+	-Vm		129.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Akermanite
+	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
+	log_k		45.3190
+	-delta_H	-288.575	kJ/mol
+#	deltafH		-926.497	kcal/mol
+	-analytic	-4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
+#	Range		0-350
+	-Vm		92.81
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Al
+	Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
+	log_k		149.9292
+	-delta_H	-958.059	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
+#	Range		0-300
+	-Vm		9.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Al2(SO4)3
+	Al2(SO4)3 = 2 Al+3 + 3 SO4-2
+	log_k		19.0535
+	-delta_H	-364.566	kJ/mol
+#	deltafH		-3441.04	kJ/mol
+	-analytic	-6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
+#	Range		0-300
+	-Vm		126.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Alabandite
+	MnS + H+ = HS- + Mn+2
+	log_k		-0.3944
+	-delta_H	-23.3216	kJ/mol
+#	deltafH		-51		kcal/mol
+	-analytic	-1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
+#	Range		0-350
+	-Vm		21.46
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_high
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		4.0832
+	-delta_H	-62.8562	kJ/mol
+#	deltafH		-937.05		kcal/mol
+	-analytic	-1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Albite_low
+	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+	log_k		2.7645
+	-delta_H	-51.8523	kJ/mol
+#	deltafH		-939.68		kcal/mol
+	-analytic	-1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
+#	Range		0-350
+	-Vm		100.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Alum-K
+	KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
+	log_k		-4.8818
+	-delta_H	14.4139		kJ/mol
+#	deltafH		-1447		kcal/mol
+	-analytic	-8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
+#	Range		0-300
+	-Vm		269.54 # Marion+09
+#	Extrapol	Cp integration
+#	Ref		73bar/kna 
+
+Alunite
+	KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
+	log_k	-0.3479
+	-delta_H	-231.856	kJ/mol
+#	deltafH		-1235.6		kcal/mol
+	-analytic	-6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
+#	Range		0-350
+	-Vm		205.40 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Amesite-14A
+	Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
+	log_k		75.4571
+	-delta_H	-797.098	kJ/mol
+#	deltafH		-2145.67	kcal/mol
+	-analytic	-5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
+#	Range		0-300
+	-Vm		205.4
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Analcime
+	Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
+	log_k		6.1396
+	-delta_H	-75.844		kJ/mol
+#	deltafH		-3296.86	kJ/mol
+	-analytic	-6.8694 6.6052e-3 9.8260e3 -4.8540 -8.8780e5
+#	Range		0-350
+	-Vm		97.1 # 96.8 in thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92, Cp integration
+#	Ref		HDN+78, 82joh/flo match but differ from Wilson+06 by 1 log K at 0C, 0 log K a 300C
+
+Andalusite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.9445
+	-delta_H	-235.233	kJ/mol
+#	deltafH		-615.866	kcal/mol
+	-analytic	-7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
+#	Range		0-350
+	-Vm		51.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C
+
+Andradite
+	Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		33.3352
+	-delta_H	-301.173	kJ/mol
+#	deltafH		-1380.35	kcal/mol
+	-analytic	1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
+#	Range		0-350
+	-Vm		131.85
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	log_k		-4.3064
+	-delta_H	-18.577		kJ/mol
+#	deltafH		-342.76		kcal/mol
+	-analytic	-2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
+#	Range		0-350
+	-Vm		45.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Annite
+	KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
+	log_k		29.4693
+	-delta_H	-259.964	kJ/mol
+#	deltafH		-1232.19	kcal/mol
+	-analytic	-4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
+#	Range		0-350
+	-Vm		154.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anorthite
+	CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
+	log_k		26.5780
+	-delta_H	-303.039	kJ/mol
+#	deltafH		-1007.55	kcal/mol
+	-analytic	3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
+#	Range		0-350
+	-Vm		100.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Anthophyllite
+	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
+	log_k		66.7965
+	-delta_H	-483.486	kJ/mol
+#	deltafH		-2888.75	kcal/mol
+	-analytic	-1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
+#	Range		0-350
+	-Vm		264.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Antigorite
+	Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O 
+	log_k		477.1943
+	-delta_H	-3364.43	kJ/mol
+#	deltafH		-17070.9	kcal/mol
+	-analytic	-8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
+#	Range		0-350
+	-Vm		1749.13
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Aragonite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.9931
+	-delta_H	-25.8027	kJ/mol
+#	deltafH		-288.531	kcal/mol
+	-analytic	-1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
+#	Range		0-325
+	-Vm		34.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Arcanite
+	K2SO4 = SO4-2 + 2 K+
+	log_k		-1.8008
+	-delta_H	23.836		kJ/mol
+#	deltafH		-1437.78	kJ/mol
+	-analytic	-1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
+#	Range		0-300
+	-Vm		65.50 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Artinite
+	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
+	log_k		19.6560
+	-delta_H	-130.432	kJ/mol
+#	deltafH		-698.043	kcal/mol
+	-analytic	-2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
+#	Range		0-350
+	-Vm		96.9 # 97.85 Webmineral.com
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Atacamite
+	Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
+	log_k		14.2836
+	-delta_H	-132.001	kJ/mol
+#	deltafH		-1654.43	kJ/mol
+	-analytic	-2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
+#	Range		0-200
+	-Vm		56.80 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Azurite
+	Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
+	log_k		9.1607
+	-delta_H	-122.298	kJ/mol
+#	deltafH		-390.1		kcal/mol
+	-analytic	-4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
+#	Range		0-350
+	-Vm		91.01
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+B
+	B + 1.5 H2O + 0.75 O2 = B(OH)3
+	log_k		109.5654
+	-delta_H	-636.677	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
+#	Range		0-300
+	-Vm		4.386 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+B2O3
+	B2O3 + 3 H2O = 2 B(OH)3
+	log_k		5.5464
+	-delta_H	-18.0548	kJ/mol
+#	deltafH		-1273.5		kJ/mol
+	-analytic	9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
+#	Range		0-300
+	-Vm		28.30 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bassanite
+	CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
+	log_k		-3.6615
+	-delta_H	-18.711		kJ/mol
+#	deltafH		-1576.89	kJ/mol
+	-analytic	-2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
+#	Range		0-300
+	-Vm		52.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bassetite
+	Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-17.7240
+	-delta_H	-114.841	kJ/mol
+#	deltafH		-1099.33	kcal/mol
+	-analytic	-5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
+#	Range		0-200
+	-Vm		256.19 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Beidellite-Ca
+        Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5914
+	-delta_H	-162.403	kJ/mol
+#	deltafH		-1370.66	kcal/mol
+	-analytic	3.872e1 -1.431e-1 0 0 0 9.036e-5
+#	Range		0-300
+	-Vm		133.081
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C
+
+Beidellite-Fe
+	Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		4.6335
+	-delta_H	-154.65		kJ/mol
+#	deltafH		-1351.1		kcal/mol
+	-analytic	3.641e1 -1.391e-1 0 0 0 8.671e-5
+#	Range		0-300
+	-Vm		134.293
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Beidellite-K
+	K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.3088
+	-delta_H	-150.834	kJ/mol
+#	deltafH		-1371.9		kcal/mol
+	-analytic	3.307e1 -1.254e-1 0 0 0 7.660e-5
+#	Range		0-300
+	-Vm		137.214
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C
+
+Beidellite-Mg
+	Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.5537
+	-delta_H	-165.455	kJ/mol
+#	deltafH		-1366.89	kcal/mol
+	-analytic	3.750e1 -1.415e-1 0 0 0 8.929e-5
+#	Range		0-300
+	-Vm		132.116
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C
+
+Beidellite-Na
+	Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		5.6473
+	-delta_H	-155.846	kJ/mol
+#	deltafH		-1369.76	kcal/mol
+	-analytic	3.613e1 -1.347e-1 0 0 0 8.470e-5
+#	Range		0-300
+	-Vm		134.522
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C
+
+Berlinite
+	AlPO4 + H+ = Al+3 + HPO4-2
+	log_k		-7.2087
+	-delta_H	-96.6313	kJ/mol
+#	deltafH		-1733.85	kJ/mol
+	-analytic	-2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
+#	Range		0-300
+	-Vm		46.19 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bieberite
+	CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
+	log_k		-2.5051
+	-delta_H	11.3885		kJ/mol
+#	deltafH		-2980.02	kJ/mol
+	-analytic	-2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
+#	Range		0-300
+	-Vm		147.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Bixbyite
+	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+	log_k		-0.9655
+	-delta_H	-190.545	kJ/mol
+#	deltafH		-958.971	kJ/mol
+	-analytic	-1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
+#	Range		0-300
+	-Vm		31.89 # Webmineral.com, density 4.95
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Boehmite
+	AlO2H + 3 H+ = Al+3 + 2 H2O
+	log_k		7.5642
+	-delta_H	-113.282	kJ/mol
+#	deltafH		-238.24		kcal/mol
+	-analytic	-1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
+#	Range		0-225
+	-Vm		19.535
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Borax
+	Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
+	log_k		12.0395
+	-delta_H	80.5145		kJ/mol
+#	deltafH		-6288.44	kJ/mol
+	-analytic	7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
+#	Range		0-300
+	-Vm		222.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Boric_acid
+	B(OH)3 = B(OH)3
+	log_k		-0.1583
+	-delta_H	20.2651		kJ/mol
+#	deltafH		-1094.8		kJ/mol
+	-analytic	3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
+#	Range		0-300
+	-Vm		43.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Bornite
+	Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
+	log_k		-102.4369
+	-delta_H	530.113		kJ/mol
+#	deltafH		-79.922		kcal/mol
+	-analytic	-7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
+#	Range		0-350
+	-Vm		98.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Brezinaite
+	Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
+	log_k		2.7883
+	-delta_H	-216.731	kJ/mol
+#	deltafH		-111.9		kcal/mol
+	-analytic	-7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
+#	Range		0-200
+	-Vm		69.16 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Brochantite
+	Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
+	log_k		15.4363
+	-delta_H	-163.158	kJ/mol
+#	deltafH		-2198.72	kJ/mol
+	-analytic	-2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
+#	Range		0-200
+	-Vm		113.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Brucite
+	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k		16.2980
+	-delta_H	-111.34		kJ/mol
+#	deltafH		-221.39		kcal/mol
+	-analytic	-1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
+#	Range		0-350
+	-Vm		24.63
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Bunsenite
+	NiO + 2 H+ = H2O + Ni+2
+	log_k		12.4719
+	-delta_H	-100.069	kJ/mol
+#	deltafH		-57.3		kcal/mol
+	-analytic	-8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
+#	Range		0-350
+	-Vm		10.97
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+C
+	C + H2O + O2 = H+ + HCO3-
+	log_k		64.1735
+	-delta_H	-391.961	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
+#	Range		0-350
+	-Vm		5.298
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca
+	Ca  +2 H+ + 0.5 O2 = Ca+2 + H2O
+	log_k		139.8465
+	-delta_H	-822.855	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
+#	Range		0-300
+	-Vm		26.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ca-Al_Pyroxene
+	CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
+	log_k		35.9759
+	-delta_H	-361.548	kJ/mol
+#	deltafH		-783.793	kcal/mol
+	-analytic	-1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
+#	Range		0-350
+	-Vm		63.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ca3Al2O6
+	Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
+	log_k		113.0460
+	-delta_H	-833.336	kJ/mol
+#	deltafH		-857.492	kcal/mol
+	-analytic	-2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
+#	Range		0-200
+	-Vm		88.94 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Ca4Al2Fe2O10
+	Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
+	log_k		140.5050
+	-delta_H	-1139.86	kJ/mol
+#	deltafH		-1211		kcal/mol
+	-analytic	-4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
+#	Range		0-200
+	-Vm		130.28 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaAl2O4
+	CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
+	log_k		46.9541
+	-delta_H	-436.952	kJ/mol
+#	deltafH		-555.996	kcal/mol
+	-analytic	-3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
+#	Range		0-300
+	-Vm		53.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+CaAl4O7
+	CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
+	log_k		68.6138
+	-delta_H	-718.464	kJ/mol
+#	deltafH		-951.026	kcal/mol
+	-analytic	-3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
+#	Range		0-200
+	-Vm		89.35 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+CaUO4
+	CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
+	log_k		15.9420
+	-delta_H	-131.46		kJ/mol
+#	deltafH		-2002.3		kJ/mol
+	-analytic	-8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
+#	Range		0-300
+	-Vm		45.92 # M13
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Calcite
+	CaCO3 + H+ = Ca+2 + HCO3-
+	log_k		1.8487
+	-delta_H	-25.7149	kJ/mol
+#	deltafH		-288.552	kcal/mol
+	-analytic	-1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
+#	Range		0-350
+	-Vm		36.934
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cattierite
+	CoS2 = Co+2 + S2-2
+	log_k		-29.9067
+#	deltafH		-36.589		kcal/mol
+	-analytic	-2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
+#	Range		0-300
+	-Vm		25.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Celadonite
+	KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
+	log_k		7.4575
+	-delta_H	-74.3957	kJ/mol
+#	deltafH		-1394.9		kcal/mol
+	-analytic	-3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
+#	Range		0-300
+	-Vm		157.1
+#	Extrapol	supcrt92, Cp integration
+#	Ref		HDN+78, 78wol match
+
+Chalcanthite
+	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+	log_k		-2.6215
+	-delta_H	6.57556		kJ/mol
+#	deltafH		-2279.68	kJ/mol
+	-analytic	-1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
+#	Range		0-200
+	-Vm		108.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Chalcedony
+	SiO2 = SiO2
+	log_k		-3.7281
+	-delta_H	31.4093		kJ/mol
+#	deltafH		-217.282	kcal/mol
+	-analytic	-9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocite
+	Cu2S + H+ = HS- + 2 Cu+
+	log_k		-34.7342
+	-delta_H	206.748		kJ/mol
+#	deltafH		-19		kcal/mol
+	-analytic	-1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
+#	Range		0-350
+	-Vm		27.48
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chalcocyanite
+	CuSO4 = Cu+2 + SO4-2
+        log_k		2.9239
+	-delta_H	-72.5128	kJ/mol
+#	deltafH		-771.4		kJ/mol
+	-analytic	5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
+#	Range		0-200
+	-Vm		40.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		CWM89
+
+Chalcopyrite
+	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+	log_k		-32.5638
+	-delta_H	127.206		kJ/mol
+#	deltafH		-44.453		kcal/mol
+	-analytic	-3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
+#	Range		0-350
+	-Vm		42.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Chamosite
+	Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
+	log_k		32.8416
+	-delta_H	-364.213	kJ/mol
+#	deltafH		-902.407	kcal/mol
+	-analytic	1.577e2 -4.614e-1 0 0 0 3.413e-4
+#	Range		0-300
+	-Vm		213.42
+#	Extrapol	supcrt92
+#	Ref		Wilson+06
+
+Chloromagnesite
+	MgCl2 = Mg+2 + 2 Cl-
+	log_k		21.8604
+	-delta_H	-158.802	kJ/mol
+#	deltafH		-641.317	kJ/mol
+	-analytic	-2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
+#	Range		0-300
+	-Vm		40.95 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Chromite
+	FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
+	log_k		15.1685
+	-delta_H	-267.755	kJ/mol
+#	deltafH		-1444.83	kJ/mol
+	-analytic	-1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
+#	Range		0-300
+	-Vm		44.01 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Chrysotile
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		31.1254
+	-delta_H	-218.041	kJ/mol
+#	deltafH		-1043.12	kcal/mol
+	-analytic	-9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
+#	Range		0-350
+	-Vm		108.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinochlore-14A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		67.2391
+	-delta_H	-612.379	kJ/mol
+#	deltafH		-2116.96	kcal/mol
+	-analytic	-2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
+#	Range		0-350
+	-Vm		207.11
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C
+
+Clinochlore-7A
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+	log_k		70.6124
+	-delta_H	-628.14		kJ/mol
+#	deltafH		-2113.2		kcal/mol
+	-analytic	-2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
+#	Range		0-350
+	-Vm		211.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Clinoptilolite-Ca
+	Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
+	log_k		-7.0095
+	-delta_H	-74.6745	kJ/mol 
+#	deltafH		-4919.84	kcal/mol
+	-analytic	-4.4820e1 5.3696e-2 5.4878e4 -3.1459e1 -7.5491e6
+#	Range		0-300
+	-Vm		625.19 # Webmineral.com, density 2.15
+#	Extrapol	Cp integration
+#	Ref		89db 7
+
+Clinoptilolite-K
+	K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
+	log_k		-10.9485
+	-delta_H	67.4862		kJ/mol
+#	deltafH		-4937.77	kcal/mol
+	-analytic	1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
+#	Range		0-300
+	-Vm		655.93 # Webmineral.com, density 2.15
+#	Extrapol	Cp integration
+#	Ref		89db 7
+
+Clinoptilolite-Na
+	Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
+	log_k		-7.1363
+	-delta_H	2.32824		kJ/mol
+#	deltafH		-4912.36	kcal/mol
+	-analytic	-3.4572e1 6.8377e-2 5.1962e4 -3.3426e1 -7.5586e6
+#	Range		0-300
+	-Vm		629.95 # Webmineral.com, density 2.15
+#	Extrapol	Cp integration
+#	Ref		89db 7
+
+Clinozoisite
+	Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.2569
+	-delta_H	-457.755	kJ/mol
+#	deltafH		-1643.78	kcal/mol
+	-analytic	-2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
+#	Range		0-300
+	-Vm		136.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78, SH88
+
+Co
+	Co + 2 H+ + 0.5 O2 = Co+2 + H2O
+	log_k		52.5307
+	-delta_H	-337.929	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
+#	Range		0-300
+	-Vm		6.67 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Co2SiO4
+	Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
+	log_k		6.6808
+	-delta_H	-88.6924	kJ/mol
+#	deltafH		-353.011	kcal/mol
+	-analytic	-3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
+#	Range		0-300
+	-Vm		44.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2
+	CoCl2 = Co+2 + 2 Cl-
+	log_k		8.2641
+	-delta_H	-79.5949	kJ/mol
+#	deltafH		-312.722	kJ/mol
+	-analytic	-2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
+#	Range		0-300
+	-Vm		38.69 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoCl2:2H2O
+	CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
+        log_k		4.6661
+	-delta_H	-40.7876	kJ/mol
+#	deltafH		-923.206	kJ/mol
+        -analytic	-5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
+#  	Range		0-200
+	-Vm		66.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoCl2:6H2O
+	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+	log_k		2.6033
+	-delta_H	8.32709		kJ/mol
+#	deltafH		-2115.67	kJ/mol
+	-analytic	-1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
+#	Range		0-200
+	-Vm		123.66 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CoFe2O4
+	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
+	log_k		0.8729
+	-delta_H	-160.674	kJ/mol
+#	deltafH		-272.466	kcal/mol
+	-analytic	-3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
+#	Range		0-300
+	-Vm		44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoO
+	CoO + 2 H+ = Co+2 + H2O
+	log_k		13.5553
+	-delta_H	-106.05		kJ/mol
+#	deltafH		-237.946	kJ/mol
+	-analytic	-8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
+#	Range		0-300
+	-Vm		11.64 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoS
+	CoS + H+ = Co+2 + HS-
+	log_k		-7.3740
+	-delta_H	10.1755		kJ/mol
+#	deltafH		-20.182		kcal/mol
+	-analytic	-1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
+#	Range		0-300
+	-Vm		22.91 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+CoSO4
+	CoSO4 = Co+2 + SO4-2
+	log_k		2.8996
+	-delta_H	-79.7952	kJ/mol
+#	deltafH		-887.964	kJ/mol
+	-analytic	-1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
+#	Range		0-300
+	-Vm		41.78 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:6H2O
+	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+	log_k		-2.3512
+	-delta_H	1.08483		kJ/mol
+#	deltafH		-2683.87	kJ/mol
+	-analytic	-2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
+#	Range		0-300
+	-Vm		130.30 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CoSO4:H2O
+	CoSO4:H2O = Co+2 + H2O + SO4-2
+	log_k		-1.2111
+	-delta_H	-52.6556	kJ/mol
+#	deltafH		-287.032	kcal/mol
+	-analytic	-1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
+#	Range		0-200
+	-Vm		56.26 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Coesite
+	SiO2 = SiO2
+	log_k		-3.1893
+	-delta_H	28.6144		kJ/mol
+#	deltafH		-216.614	kcal/mol
+	-analytic	-9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
+#	Range		0-350
+	-Vm		20.641
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Coffinite
+	USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
+	log_k		-8.0530
+	-delta_H	-49.2493	kJ/mol
+#	deltafH		-1991.33	kJ/mol
+	-analytic	2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
+#	Range		0-200
+	-Vm		46.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		92gre/fug
+
+Cordierite_anhyd
+	Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
+	log_k		52.3035
+	-delta_H	-626.219	kJ/mol
+#	deltafH		-2183.2		kcal/mol
+	-analytic	2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
+#	Range		0-350
+	-Vm		233.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C
+
+Cordierite_hydr
+	Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
+	log_k		49.8235
+	-delta_H	-608.814	kJ/mol
+#	deltafH		-2255.68	kcal/mol
+	-analytic	-1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
+#	Range		0-350
+	-Vm		241.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C
+
+Corundum
+	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+	log_k		18.3121
+	-delta_H	-258.626	kJ/mol
+#	deltafH		-400.5		kcal/mol
+	-analytic	-1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
+#	Range		0-350
+	-Vm		25.575
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag
+
+Covellite
+	CuS + H+ = Cu+2 + HS-
+	log_k		-22.8310
+	-delta_H	101.88		kJ/mol
+#	deltafH		-12.5		kcal/mol
+	-analytic	-1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
+#	Range		0-350
+	-Vm		20.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cr
+	Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
+	log_k		98.6784
+	-delta_H	-658.145	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
+#	Range		0-300
+	-Vm		7.231 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+CrCl3
+	CrCl3 = Cr+3 + 3 Cl-
+	log_k		17.9728
+	-delta_H	-183.227	kJ/mol
+#	deltafH		-556.5		kJ/mol
+	-analytic	-2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
+#	Range		0-300
+	-Vm		57.38 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+CrO2
+	CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
+	log_k		-19.1332
+	-delta_H	85.9812		kJ/mol
+#	deltafH		-143		kcal/mol
+	-analytic	2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
+#	Range		0-200
+	-Vm		16.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+CrO3
+	CrO3 + H2O = CrO4-2 + 2 H+
+	log_k		-3.5221
+	-delta_H	-5.78647	kJ/mol
+#	deltafH		-140.9		kcal/mol
+	-analytic	-1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
+#	Range		0-300
+	-Vm		35.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+CrS
+	CrS + H+ = Cr+2 + HS-
+	log_k		-0.6304
+	-delta_H	-26.15		kJ/mol
+#	deltafH		-31.9		kcal/mol
+	-analytic	-1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
+#	Range		0-300
+	-Vm		17.33 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		76del/hal
+
+Cristobalite(alpha)
+	SiO2 = SiO2
+	log_k		-3.4488
+	-delta_H	29.2043		kJ/mol
+#	deltafH		-216.755	kcal/mol
+	-analytic	-1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
+#	Range		0-350
+	-Vm		25.74
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cristobalite(beta)
+	SiO2 = SiO2
+	log_k		-3.0053
+	-delta_H	24.6856		kJ/mol
+#	deltafH		-215.675	kcal/mol
+	-analytic	-4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
+#	Range		0-350
+	-Vm		27.38
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Cronstedtite-7A
+	Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
+	log_k		16.2603
+	-delta_H	-244.266	kJ/mol
+#	deltafH		-697.413	kcal/mol
+	-analytic	-2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
+#	Range		0-300
+	-Vm		110.9 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Cu
+	Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
+	log_k		31.5118
+	-delta_H	-214.083	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
+#	Range		0-300
+	-Vm		7.113
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+
+CuCl2
+	CuCl2 = Cu+2 + 2 Cl-
+	log_k		3.7308
+	-delta_H	-48.5965	kJ/mol
+#	deltafH		-219.874	kJ/mol
+	-analytic	-1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
+#	Range		0-200
+	-Vm		39.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+CuCr2O4
+	CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
+	log_k		16.2174
+	-delta_H	-268.768	kJ/mol
+#	deltafH		-307.331	kcal/mol
+	-analytic	-1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
+#	Range		0-200
+	-Vm		42.74 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Cuprite
+	Cu2O + 2 H+ = H2O + 2 Cu+
+	log_k		-1.9031
+	-delta_H	28.355		kJ/mol
+#	deltafH		-40.83		kcal/mol
+	-analytic	-8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
+#	Range		0-350
+	-Vm		23.437
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-14A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k		52.2821
+	-delta_H	-517.561	kJ/mol
+#	deltafH		-1693.04	kcal/mol
+	-analytic	-1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
+#	Range		0-350
+	-Vm		213.42
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Daphnite-7A
+	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+	log_k	55.6554
+	-delta_H	-532.326	kJ/mol
+#	deltafH		-1689.51	kcal/mol
+	-analytic	-1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
+#	Range		0-300
+	-Vm		221.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dawsonite
+	NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
+	log_k		4.3464
+	-delta_H	-76.3549	kJ/mol
+#	deltafH		-1963.96	kJ/mol
+	-analytic	-1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
+#	Range		0-200
+	-Vm		59.50 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Delafossite
+	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+	log_k		-6.4172
+	-delta_H	-18.6104	kJ/mol
+#	deltafH		-126.904	kcal/mol
+	-analytic	-1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
+#	Range		0-300
+	-Vm		27.52 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+Diaspore
+	AlHO2 + 3 H+ = Al+3 + 2 H2O
+	log_k		7.1603
+	-delta_H	-110.42		kJ/mol
+#	deltafH		-238.924	kcal/mol
+	-analytic	-1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
+#	Range		0-225
+	-Vm		17.76
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Dicalcium_silicate
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		37.1725
+	-delta_H	-217.642	kJ/mol
+#	deltafH		-2317.9		kJ/mol
+	-analytic	-5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
+#	Range		0-300
+	-Vm		59.11 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Diopside
+	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
+	log_k		20.9643
+	-delta_H	-133.775	kJ/mol
+#	deltafH		-765.378	kcal/mol
+	-analytic	7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
+#	Range		0-350
+	-Vm		66.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dioptase
+	CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
+	log_k		6.0773
+	-delta_H	-25.2205	kJ/mol
+#	deltafH		-1358.47	kJ/mol
+	-analytic	2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
+#	Range		0-200
+	-Vm		48.24 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87woo/gar
+
+Dolomite
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		2.5135
+	-delta_H	-59.9651	kJ/mol
+#	deltafH		-556.631	kcal/mol
+	-analytic	-3.1782e2 -9.8179e-2 1.0845e4 1.2657e2 1.6932e2
+#	Range		0-350
+	-Vm		64.365
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dolomite-dis
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		4.0579
+	-delta_H	-72.2117	kJ/mol
+#	deltafH		-553.704	kcal/mol
+	-analytic	-3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
+#	Range		0-350
+	-Vm		64.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Dolomite-ord
+	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+	log_k		2.5135
+	-delta_H	-59.9651	kJ/mol
+#	deltafH		-556.631	kcal/mol
+	-analytic	-3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
+#	Range		0-350
+	-Vm		64.34
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Enstatite
+	MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
+	log_k		11.3269
+	-delta_H	-82.7302	kJ/mol
+#	deltafH		-369.686	kcal/mol
+	-analytic	-4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
+#	Range		0-350
+	-Vm		31.276
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote
+	Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.451	kJ/mol
+#	deltafH		-1543.99	kcal/mol
+	-analytic	-2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Epidote-ord
+	FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+	log_k		32.9296
+	-delta_H	-386.351	kJ/mol
+#	deltafH		-1544.02	kcal/mol
+	-analytic	1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
+#	Range		0-350
+	-Vm		139.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Eskolaite
+	Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
+	log_k		-9.1306
+	-delta_H	-32.6877	kJ/mol
+#	deltafH		-1139.74	kJ/mol
+	-analytic	-2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
+#	Range		0-300
+	-Vm		29.09 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ettringite
+	Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
+	log_k		62.5362
+	-delta_H	-382.451	kJ/mol
+#	deltafH		-4193		kcal/mol
+	-analytic	-1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
+#	Range		0-200
+	-Vm		697.28 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Eu
+	Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
+	log_k		165.1443
+	-delta_H	-1025.08	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
+#	Range		0-300
+	-Vm		28.97 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		85rar 2
+
+Eu(OH)3
+	Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
+	log_k		15.3482
+	-delta_H	-126.897	kJ/mol
+#	deltafH		-1336.04	kJ/mol
+	-analytic	-6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
+#	Range		0-200
+	-Vm		38.44 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+Eu2(SO4)3:8H2O
+	Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
+	log_k		-10.8524
+	-delta_H	-86.59		kJ/mol
+#	deltafH		-6139.77	kJ/mol
+	-analytic	-5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
+#	Range		0-200
+	-Vm		245.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(cubic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+	log_k		51.7818
+	-delta_H	-406.403	kJ/mol
+#	deltafH		-1661.96	kJ/mol
+	-analytic	-5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
+#	Range		0-200
+	-Vm		48.29 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu2O3(monoclinic)
+	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+        log_k		53.3936
+	-delta_H	-417.481	kJ/mol
+#	deltafH		-1650.88	kJ/mol
+	-analytic	-5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
+#	Range		0-200
+	-Vm		44.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eu3O4
+	Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
+        log_k		87.0369
+	-delta_H	-611.249	kJ/mol
+#	deltafH		-2270.56	kJ/mol
+	-analytic	-1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
+#	Range		0-200
+	-Vm		64.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl2
+	EuCl2 = Eu+2 + 2 Cl-
+	log_k		5.9230
+	-delta_H	-39.2617	kJ/mol
+#	deltafH		-822.5		kJ/mol
+	-analytic	-2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
+#	Range		0-200
+	-Vm		45.49 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuCl3
+	EuCl3 = Eu+3 + 3 Cl-
+	log_k		19.7149
+	-delta_H	-170.861	kJ/mol
+#	deltafH		-935.803	kJ/mol
+	-analytic	3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
+#	Range		0-200
+	-Vm		52.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuCl3:6H2O
+	EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
+	log_k		4.9090
+	-delta_H	-40.0288	kJ/mol
+#	deltafH		-2781.66	kJ/mol
+	-analytic	-1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
+#	Range		0-200
+	-Vm		151.22 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuOCl
+	EuOCl + 2 H+ = Cl- + Eu+3 + H2O
+        log_k		15.6683
+	-delta_H	-147.173	kJ/mol
+#	deltafH		-911.17		kJ/mol
+	-analytic	-7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
+#	Range		0-200
+	-Vm		31.68 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87rar 2
+
+EuS
+	EuS + H+ = Eu+2 + HS-
+	log_k		14.9068
+	-delta_H	-96.4088	kJ/mol
+#	deltafH		-447.302	kJ/mol
+        -analytic	-4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
+#	Range		0-200
+	-Vm		32.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+EuSO4
+	EuSO4 = Eu+2 + SO4-2
+        log_k		-8.8449
+	-delta_H	33.873		kJ/mol
+#	deltafH		-1471.08	kJ/mol
+	-analytic	3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
+#	Range		0-200
+	-Vm		49.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		85rar 2
+
+Eucryptite
+	LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
+	log_k		13.6106
+	-delta_H	-141.818	kJ/mol
+#	deltafH		-2124.41	kJ/mol
+	-analytic	-2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
+#	Range		0-300
+	-Vm		53.63 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fayalite
+	Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
+	log_k		19.1113
+	-delta_H	-152.256	kJ/mol
+#	deltafH		-354.119	kcal/mol
+	-analytic	1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
+#	Range		0-350
+	-Vm		46.39
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Fe
+	Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
+	log_k		59.0325
+	-delta_H	-372.029	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
+#	Range		0-350
+	-Vm		7.092 # thermo.com.V8.R6+.tdat
+#	Extrapol	supcrt92
+#	Ref		RHF79
+
+Fe(OH)2
+	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
+	log_k		13.9045
+	-delta_H	-95.4089	kJ/mol
+#	deltafH		-568.525	kJ/mol
+	-analytic	-8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
+#	Range		0-300
+	-Vm		26.43 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe(OH)3
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	log_k		5.6556
+	-delta_H	-84.0824	kJ/mol
+#	deltafH		-823.013	kJ/mol
+        -analytic	-1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
+#	Range		0-300
+	-Vm		34.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Fe2(SO4)3
+	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+	log_k		3.2058
+	-delta_H	-250.806	kJ/mol
+#	deltafH		-2577.16	kJ/mol
+	-analytic	-5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
+#	Range		0-300
+	-Vm		130.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79	
+
+FeO
+	FeO + 2 H+ = Fe+2 + H2O
+	log_k		13.5318
+	-delta_H	-106.052	kJ/mol
+#	deltafH		-65.02		kcal/mol
+	-analytic	-7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
+#	Range		0-350
+	-Vm		12
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+FeSO4
+	FeSO4 = Fe+2 + SO4-2
+	log_k		2.6565
+	-delta_H	-73.0878	kJ/mol
+#	deltafH		-928.771	kJ/mol
+	-analytic	-2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
+#	Range		0-300
+	-Vm		41.58 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Ca
+	CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
+	log_k		21.5217
+	-delta_H	-264.738	kJ/mol
+#	deltafH		-363.494	kcal/mol
+        -analytic	-2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
+#	Range		0-300
+	-Vm		44.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Ferrite-Cu
+	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+	log_k		10.3160
+	-delta_H	-211.647	kJ/mol
+#	deltafH		-965.178	kJ/mol
+	-analytic	-3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
+#	Range		0-300
+	-Vm		44.53 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrite-Dicalcium
+	Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
+	log_k		56.8331
+	-delta_H	-475.261	kJ/mol
+#	deltafH		-2139.26	kJ/mol
+	-analytic	-3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
+#	Range		0-300
+	-Vm		67.18 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Mg
+	MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+	log_k		21.0551
+	-delta_H	-280.056	kJ/mol
+#	deltafH		-1428.42	kJ/mol
+	-analytic	-2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
+#	Range		0-300
+	-Vm		44.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ferrite-Zn
+	ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
+	log_k		11.7342
+	-delta_H	-226.609	kJ/mol
+#	deltafH		-1169.29	kJ/mol
+	-analytic	-2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
+#	Range		0-300
+	-Vm		45.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Ferrosilite
+	FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
+	log_k		7.4471
+	-delta_H	-60.6011	kJ/mol
+#	deltafH		-285.658	kcal/mol
+	-analytic	9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
+#	Range		0-350
+	-Vm		32.952
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Forsterite
+	Mg2SiO4 + 4 H+ =  SiO2 + 2 H2O + 2 Mg+2
+	log_k		27.8626
+	-delta_H	-205.614	kJ/mol
+#	deltafH		-520		kcal/mol
+	-analytic	-7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
+#	Range		0-350
+	-Vm		43.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Foshagite
+	Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
+	log_k		65.9210
+	-delta_H	-359.839	kJ/mol
+#	deltafH		-1438.27	kcal/mol
+	-analytic	2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
+#	Range		0-300
+	-Vm		154.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+
+Gd
+	Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
+	log_k		180.7573
+	-delta_H	-1106.67	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
+#	Range		0-300
+	-Vm		19.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gehlenite
+	Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
+	log_k		56.2997
+	-delta_H	-489.934	kJ/mol
+#	deltafH		-951.225	kcal/mol
+	-analytic	-2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
+#	Range		0-350
+	-Vm		90.24
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gibbsite
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	log_k		7.7560
+	-delta_H	-102.788	kJ/mol
+#	deltafH		-309.065	kcal/mol
+	-analytic	-1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
+#	Range		0-150
+	-Vm		31.956
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 95pok/hel
+
+Goethite
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	log_k		0.5345
+	-delta_H	-61.9291	kJ/mol
+#	deltafH		-559.328	kJ/mol
+	-analytic	-6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
+#	Range		0-200
+	-Vm		20.82
+#	Extrapol	supcrt92, Constant H approx
+#	Ref		Sho09, MLS+03, RHF79 match
+
+Greenalite
+	Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
+	log_k		22.6701
+	-delta_H	-165.297	kJ/mol
+#	deltafH		-787.778	kcal/mol
+	-analytic	-1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
+#	Range		0-350
+	-Vm		115
+#	Extrapol	supcrt92
+#	Ref		HDN+78, 78wol, Wilson+06 match
+
+Grossular
+	Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		51.9228
+	-delta_H	-432.006	kJ/mol
+#	deltafH		-1582.74	kcal/mol
+	-analytic	2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
+#	Range		0-350
+	-Vm		125.3
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	log_k		-4.4823
+	-delta_H	-1.66746	kJ/mol
+#	deltafH		-2022.69	kJ/mol
+	-analytic	-2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
+#	Range		0-300
+	-Vm		74.69 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Gyrolite
+	Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
+	log_k		22.9099
+	-delta_H	-82.862		kJ/mol
+#	deltafH		-1176.55	kcal/mol
+	-analytic	-2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
+#	-Range		0-300
+	-Vm		136.85 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Halite
+	NaCl = Cl- + Na+
+	log_k		1.5855
+	-delta_H	3.7405		kJ/mol
+#	deltafH		-98.26		kcal/mol
+	-analytic	-1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
+#	Range		0-350
+	-Vm		27.015
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hatrurite
+	Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
+	log_k		73.4056
+	-delta_H	-434.684	kJ/mol
+#	deltafH		-700.234	kcal/mol
+	-analytic	-4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
+#	Range		0-300
+	-Vm		75.60 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Hausmannite
+	Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
+	log_k		10.1598
+	-delta_H	-268.121	kJ/mol
+#	deltafH		-1387.83	kJ/mol
+	-analytic	-2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
+#	Range		0-300
+	-Vm		48.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Heazlewoodite
+	Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
+	log_k		28.2477
+	-delta_H	-270.897	kJ/mol
+#	deltafH		-203.012	kJ/mol
+	-analytic	-3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
+#	Range		0-300
+	-Vm		40.95 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Hedenbergite
+	CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
+	log_k		19.6060
+	-delta_H	-124.507	kJ/mol
+#	deltafH		-678.276	kcal/mol
+	-analytic	-1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
+#	Range		0-350
+	-Vm		68.27
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hematite
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	log_k		0.1086
+	-delta_H	-129.415	kJ/mol
+#	deltafH		-197.72		kcal/mol
+	-analytic	-2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
+#	Range		0-350
+	-Vm		30.274
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hercynite
+	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+	log_k		28.8484
+	-delta_H	-345.961	kJ/mol
+#	deltafH		-1966.45	kJ/mol
+	-analytic	-3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
+#	Range		0-300
+	-Vm		40.75 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hillebrandite
+	Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
+	log_k		36.8190
+	-delta_H	-203.074	kJ/mol
+#	deltafH		-637.404	kcal/mol
+	-analytic	-1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
+#	Range		0-300
+	-Vm		71.79 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Huntite
+	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
+	log_k		10.3010
+	-delta_H	-171.096	kJ/mol
+#	deltafH		-1082.6		kcal/mol
+	-analytic	-6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
+#	Range		0-350
+	-Vm		122.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydromagnesite
+	Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
+	log_k		30.8539
+	-delta_H	-289.696	kJ/mol
+#	deltafH		-1557.09	kcal/mol
+	-analytic	-7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
+#	Range		0-350
+	-Vm		208.8
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Hydrophilite
+	CaCl2 = Ca+2 + 2 Cl-
+	log_k		11.7916
+	-delta_H	-81.4545	kJ/mol
+#	deltafH		-795.788	kJ/mol
+	-analytic	-2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
+#	Range		0-300
+	-Vm		49.99 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Hydroxyapatite
+	Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+	log_k		-3.0746
+	-delta_H	-191.982	kJ/mol
+#	deltafH		-6685.52	kJ/mol
+	-analytic	-8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
+#	Range		0-300
+	-Vm		128.9
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ice
+	H2O = H2O
+	log_k		0.1387
+	-delta_H	6.74879		kJ/mol
+#	deltafH		-69.93		kcal/mol
+	-analytic	-2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
+#	Range		0-200
+	-Vm		19.635 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		87kee/rup
+
+Ilmenite
+	FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
+	log_k		0.9046
+#	deltafH		-1236.65	kJ/mol
+	-Vm		32.15 # Webmineral.com
+#	Ref		RHF79
+
+Jadeite
+	NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
+	log_k		8.3888
+	-delta_H	-84.4415	kJ/mol
+#	deltafH		-722.116	kcal/mol
+	-analytic	1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
+#	Range		0-350
+	-Vm		60.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Jarosite
+	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
+	log_k		-9.3706
+	-delta_H	-191.343	kJ/mol
+#	deltafH		-894.79		kcal/mol
+	-analytic	-1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
+#	Range		0-200
+	-Vm		162.07 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		75kas/bor
+
+K
+	K + H+ + 0.25 O2 = 0.5 H2O + K+
+	log_k		70.9861
+	-delta_H	-392.055	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
+#	Range		0-300
+	-Vm		45.94 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+K-Feldspar
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
+#	Range		0-350
+	-Vm		108.87
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+K2O
+	K2O + 2 H+ = H2O + 2 K+
+	log_k		84.0405
+	-delta_H	-427.006	kJ/mol
+#	deltafH		-86.8		kcal/mol
+	-analytic	-1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
+#	Range		0-350
+	-Vm		40.085 # gfw/density
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+KAl(SO4)2
+	KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
+	log_k		3.3647
+	-delta_H	-139.485	kJ/mol
+#	deltafH		-2470.29	kJ/mol
+	-analytic	-4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
+#	Range		0-300
+	-Vm		146.71 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Kalsilite
+	KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
+	log_k		10.8987
+	-delta_H	-108.583	kJ/mol
+#	deltafH		-509.408	kcal/mol
+	-analytic	-6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
+#	Range		0-350
+	-Vm		59.89
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Kaolinite
+	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
+	log_k		6.8101
+	-delta_H	-151.779	kJ/mol
+#	deltafH		-982.221	kcal/mol
+	-analytic	1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
+#	Range		0-350
+	-Vm		99.52
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C
+
+KerogenC128
+	C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
+	log_k		10740.654
+	-delta_H	-14623.902	kcal/mol
+	-analytic	23405.37 -54.726 0 0 0 0.041
+#	Range		0-350
+	-Vm		1320.7
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC292
+	C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
+	log_k		27153.69
+	-delta_H	-36994.127	kcal/mol
+	-analytic	59184.26 -138.37 0 0 0 0.10
+#	Range		0-350
+	-Vm		3398.2
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+KerogenC515
+	C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
+	log_k		48112.16
+	-delta_H 	-65346.703	kcal/mol
+	-analytic	104660.55 -244.27 0 0 0 0.183
+#	Range		0-350
+	-Vm		6989.3
+#	Extrapol	supcrt92
+#	Ref		RH98, Hel+09
+
+Kyanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		15.6740
+	-delta_H	-230.919	kJ/mol
+#	deltafH		-616.897	kcal/mol
+	-analytic	-7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
+#	Range		0-175
+	-Vm		44.09
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Larnite
+	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+	log_k		38.4665
+	-delta_H	-227.061	kJ/mol
+#	deltafH		-551.74		kcal/mol
+	-analytic	2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
+#	Range		0-300
+	-Vm		51.6 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Laumontite
+	CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O
+	log_k		13.6667
+	-delta_H	-184.657	kJ/mol
+#	deltafH		-1728.66	kcal/mol
+	-analytic	1.1904 8.1763e-3 1.9005e4 -1.4561e1 -1.5851e6
+#	Range		0-350
+	-Vm		207.55
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 1.7 log K at 0C, 0.1 log K at 350C
+
+Lawrencite
+	FeCl2 = Fe+2 + 2 Cl-
+	log_k		9.0945
+	-delta_H	-84.7665	kJ/mol
+#	deltafH		-341.65		kJ/mol
+	-analytic	-2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
+#	Range		0-300
+	-Vm		40.31 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Lawsonite
+	CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
+	log_k		22.2132
+	-delta_H	-244.806	kJ/mol
+#	deltafH		-1158.1		kcal/mol
+	-analytic	1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
+#	Range		0-350
+	-Vm		101.32
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Li
+	Li + H+ +0.25 O2 = 0.5 H2O + Li+
+	log_k		72.7622
+	-delta_H	-418.339	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
+#	Range		0-300
+	-Vm		13.017 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Lime
+	CaO + 2 H+ = Ca+2 + H2O
+	log_k		32.5761
+	-delta_H	-193.832	kJ/mol
+#	deltafH		-151.79		kcal/mol
+	-analytic	-7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
+#	Range		0-350
+	-Vm		16.764
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Linnaeite
+	Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
+	log_k		-106.9017
+	-delta_H	420.534		kJ/mol
+#	deltafH		-85.81		kcal/mol
+	-analytic	-6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
+#	Range		0-300
+	-Vm		63.55 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		78vau/cra
+
+Lizardite
+	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+	log_k		30.560
+	-analytic	7.886e1 -2.108e-1 0 0 0 1.637e-4
+#	Range		0-300
+	-Vm		107.31
+#	Extrapol	supcrt92
+#	Ref		Wilson+06
+
+Lopezite
+	K2Cr2O7 + H2O =  2 CrO4-2 + 2 H+ + 2 K+
+	log_k		-17.4366
+	-delta_H	81.9227		kJ/mol
+#	deltafH		-493.003	kcal/mol
+	-analytic	7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
+#	Range		0-200
+	-Vm		109.93 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		76del/hal
+
+Magnesiochromite
+	MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
+	log_k		21.6927
+	-delta_H	-302.689	kJ/mol
+#	deltafH		-1783.6		kJ/mol
+	-analytic	-1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
+#	Range		0-200
+	-Vm		43.564 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H Approx
+#	Ref		WEP+82
+
+Magnesite
+	MgCO3 + H+ = HCO3- + Mg+2
+	log_k		2.2936
+	-delta_H	-44.4968	kJ/mol
+#	deltafH		-265.63		kcal/mol
+	-analytic	-1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
+#	Range		0-350
+	-Vm		28.018
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Magnetite
+	Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
+	log_k		10.4724
+	-delta_H	-216.597	kJ/mol
+#	deltafH		-267.25		kcal/mol
+	-analytic	-3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
+#	Range		0-350
+	-Vm		44.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Malachite
+	Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
+	log_k		5.9399
+	-delta_H	-76.2827	kJ/mol
+#	deltafH		-251.9		kcal/mol
+	-analytic	-2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
+#	Range		0-350
+	-Vm		54.86
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Manganosite
+	MnO + 2 H+ = H2O + Mn+2
+	log_k		17.9240
+	-delta_H	-121.215	kJ/mol
+#	deltafH		-92.07		kcal/mol
+	-analytic	-8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
+#	Range		0-350
+	-Vm		13.221
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Margarite
+	CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
+	log_k		41.0658
+	-delta_H	-522.192	kJ/mol
+#	deltafH		-1485.8		kcal/mol
+	-analytic	-2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
+#	Range		0-350
+	-Vm		129.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C
+
+Maximum_Microcline
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		-0.2753
+	-delta_H	-23.9408	kJ/mol
+#	deltafH		-949.188	kcal/mol
+	-analytic	-9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
+#	Range		0-350
+	-Vm		108.741
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mayenite
+	Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
+	log_k		494.2199
+	-delta_H	-4056.77	kJ/mol
+#	deltafH		-4644		kcal/mol
+	-analytic	-1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
+#	Range		0-200
+	-Vm		517.41 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Melanterite
+	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+	log_k		-2.3490
+	-delta_H	11.7509		kJ/mol
+#	deltafH		-3014.48	kJ/mol
+	-analytic	-2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
+#	Range		0-300
+	-Vm		146.48 # Marion+08
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Merwinite
+	MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
+	log_k		68.5140
+	-delta_H	-430.069	kJ/mol
+#	deltafH		-1090.8		kcal/mol
+	-analytic	-2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
+#	Range		0-350
+	-Vm		104.4
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Mesolite
+	Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
+	log_k		13.6191
+	-delta_H	-179.744	kJ/mol
+#	deltafH		-5947.05	kJ/mol
+	-analytic	7.1993 5.9356e-3 1.4717e4 -1.3627e1 -9.8863e5
+#	Range		0-300
+	-Vm		171.2 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		89db 6
+
+Mg
+	Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
+	log_k		122.5365
+	-delta_H	-745.731	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
+#	Range		0-300
+	-Vm		13.996 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+MgOHCl
+	MgOHCl + H+ = Cl- + H2O + Mg+2
+	log_k		15.9138
+	-delta_H	-118.897	kJ/mol
+#	deltafH		-191.2		kcal/mol
+	-analytic	-1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
+#	Range		0-300
+	-Vm		33.23 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+MgSO4
+	MgSO4 = Mg+2 + SO4-2
+	log_k		4.8781
+	-delta_H	-90.6421	kJ/mol
+#	deltafH		-1284.92	kJ/mol
+	-analytic	-2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
+#	Range		0-300
+	-Vm		45.25 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Millerite
+	NiS + H+ = HS- + Ni+2
+	log_k		-8.0345
+	-delta_H	12.089		kJ/mol
+#	deltafH		-82.171		kJ/mol
+	-analytic	-1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
+#	Range		0-300
+	-Vm		16.89 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Minnesotaite
+	Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
+	log_k		13.9805
+	-delta_H	-105.211	kJ/mol
+#	deltafH		-1153.37	kcal/mol
+	-analytic	-1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
+#	Range		0-300
+	-Vm		147.86 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C
+
+Mirabilite
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	log_k		-1.1398
+	-delta_H	79.4128		kJ/mol
+#	deltafH		-4328		kJ/mol
+	-analytic	-2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
+#	Range		0-200
+	-Vm		219.80 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Mn
+	Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
+	log_k		82.9505
+	-delta_H	-500.369	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
+#	Range		0-300
+	-Vm		7.354 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mn(OH)2(am)
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	log_k		15.3102
+	-delta_H	-97.1779	kJ/mol
+#	deltafH		-695.096	kJ/mol
+	-analytic	-7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
+#	Range		0-200
+	-Vm		22.36 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:2H2O
+	MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
+	log_k		4.0067
+	-delta_H	-34.4222	kJ/mol
+#	deltafH		-1092.01	kJ/mol
+	-analytic	-6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
+#	Range		0-200
+	-Vm		71.12 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:4H2O
+	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+	log_k		2.7563
+	-delta_H	-10.7019	kJ/mol
+#	deltafH		-1687.41	kJ/mol
+	-analytic	-1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
+#	Range		0-200
+	-Vm		98.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnCl2:H2O
+	MnCl2:H2O = H2O + Mn+2 + 2 Cl-
+	log_k		5.5517
+	-delta_H	-50.8019	kJ/mol
+#	deltafH		-789.793	kJ/mol
+	-analytic	-4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
+#	Range		0-200
+	-Vm		42.27 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+MnSO4
+	MnSO4 = Mn+2 + SO4-2
+	log_k		2.6561
+	-delta_H	-64.8718	kJ/mol
+#	deltafH		-1065.33	kJ/mol
+	-analytic	-2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
+#	Range		0-300
+	-Vm		46.46 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Mo
+	Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
+	log_k		109.3230
+	-delta_H	-693.845	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
+#	Range		0-300
+	-Vm		9.387 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Molysite
+	FeCl3 = Fe+3 + 3 Cl-
+	log_k		13.5517
+	-delta_H	-151.579	kJ/mol
+#	deltafH		-399.24		kJ/mol
+	-analytic	-3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
+#	Range		0-300
+	-Vm		55.86 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Monohydrocalcite
+	CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
+	log_k		2.6824
+	-delta_H	-20.5648	kJ/mol
+#	deltafH		-1498.29	kJ/mol
+	-analytic	-7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
+#	Range		0-200
+	-Vm		49.62 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Monticellite
+	CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
+	log_k		29.5852
+	-delta_H	-195.711	kJ/mol
+#	deltafH		-540.8		kcal/mol
+	-analytic	1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
+#	Range		0-300
+	-Vm		51.47
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Montmor-Ca
+	Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4952
+	-delta_H	-100.154	kJ/mol
+#	deltafH		-1361.5		kcal/mol
+	-analytic	2.459e1	-9.080e-2 0 0 0 5.223e-5
+#	Range		0-300
+	-Vm		136.007
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-K
+	K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.1423
+	-delta_H	-88.184		kJ/mol
+#	deltafH		-1362.83	kcal/mol
+	-analytic	2.022e1	-7.624e-2 0 0 0	4.102e-5
+#	Range		0-300
+	-Vm		140.140
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Mg
+	Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.3879
+	-delta_H	-102.608	kJ/mol
+#	deltafH		-1357.87	kcal/mol
+	-analytic	2.381e1 -9.031e-2 0 0 0 5.203e-5
+#	Range		0-300
+	-Vm		135.042
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match
+
+Montmor-Na
+	Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
+	log_k		2.4844
+	-delta_H	-93.2165	kJ/mol
+#	deltafH		-1360.69	kcal/mol
+	-analytic	2.348e1	-8.604e-2 0 0 0 4.951e-5
+#	Range		0-300
+	-Vm		137.449
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C
+
+Mordenite
+	Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
+	log_k		-5.1969
+	-delta_H	16.7517		kJ/mol
+#	deltafH		-6736.64	kJ/mol
+	-analytic	-5.4675e1 3.2513e-2 2.3412e4 -1.0419 -3.2292e6
+#	Range		0-300
+	-Vm		209.90 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		91joh/tas
+
+Morenosite
+	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+	log_k		-2.0140
+	-delta_H	12.0185		kJ/mol
+#	deltafH		-2976.46	kJ/mol
+	-analytic	-2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
+#	Range		0-300
+	-Vm		144.17 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Muscovite
+	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		13.5858
+	-delta_H	-243.224	kJ/mol
+#	deltafH		-1427.41	kcal/mol
+	-analytic	3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
+#	Range		0-350
+	-Vm		140.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na
+	Na + H+ + 0.25 O2 = 0.5 H2O + Na+
+	log_k		67.3804
+	-delta_H	-380.185	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
+#	Range		0-300
+	-Vm		23.812 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Na2CO3
+	Na2CO3 + H+ = HCO3- + 2 Na+
+	log_k		11.1822
+	-delta_H	-39.8526	kJ/mol
+#	deltafH		-1130.68	kJ/mol
+	-analytic	-1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
+#	Range		0-300
+	-Vm		41.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Na2CO3:7H2O
+	Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
+	log_k		9.9459
+	-delta_H	27.7881		kJ/mol
+#	deltafH		-3199.19	kJ/mol
+	-analytic	-2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
+#	Range		0-200
+	-Vm		153.71 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Na2Cr2O7
+	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
+	log_k		-10.1597
+	-delta_H	21.9702		kJ/mol
+#	deltafH		-473		kcal/mol
+	-analytic	4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
+#	Range		0-200
+	-Vm		103.96 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2CrO4
+	Na2CrO4 = CrO4-2 + 2 Na+
+	log_k		2.9103
+	-delta_H	-19.5225	kJ/mol
+#	deltafH		-320.8		kcal/mol
+	-analytic	5.4985 -9.9008e-3 1.0510e2
+#	Range		0-200
+	-Vm		59.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Na2O
+	Na2O + 2 H+ = H2O + 2 Na+
+	log_k		67.4269
+	-delta_H	-351.636	kJ/mol
+#	deltafH		-99.14		kcal/mol
+	-analytic	-6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
+#	Range		0-350
+	-Vm		25
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Na2SiO3
+	Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
+	log_k		22.2418
+	-delta_H	-82.7093	kJ/mol
+#	deltafH		-373.19		kcal/mol
+	-analytic	-3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
+#	Range		0-300
+	-Vm		50.86 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Na2U2O7
+	Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
+	log_k		22.5917
+	-delta_H	-172.314	kJ/mol
+#	deltafH		-3203.8		kJ/mol
+	-analytic	-8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
+#	Range		0-300
+	-Vm		95.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+NaFeO2
+	NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
+	log_k		19.8899
+	-delta_H	-163.339	kJ/mol
+#	deltafH		-698.218	kJ/mol
+	-analytic	-7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
+#	Range		0-200
+	-Vm		33.48 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NaUO3
+	NaUO3 + 2 H+ = H2O + Na+ + UO2+
+	log_k		8.3371
+	-delta_H	-56.365		kJ/mol
+#	deltafH		-1494.9		kJ/mol
+	-analytic	-3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
+#	Range		0-300
+	-Vm		42.56 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Nahcolite
+	NaHCO3 = HCO3- + Na+
+	log_k		-0.1118
+	-delta_H	17.0247		kJ/mol
+#	deltafH		-226.4		kcal/mol
+	-analytic	-2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
+#	Range		0-300
+	-Vm		38.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		73bar/kna
+
+Nantokite
+	CuCl = Cl- + Cu+
+	log_k	-6.7623
+	-delta_H	41.9296		kJ/mol
+#	deltafH		-137.329	kJ/mol
+	-analytic	-2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
+#	Range		0-200
+	-Vm		23.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Natrolite
+	Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
+	log_k		18.5204
+	-delta_H	-186.971	kJ/mol
+#	deltafH		-5718.56	kJ/mol
+	-analytic	-2.7712e1 -2.7963e-3 1.6075e4 1.5332 -9.5765e5
+#	Range		0-300
+	-Vm		169.72 # HDN+78
+#	Extrapol	Cp integration
+#	Ref		83joh/flo
+
+Natron
+	Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
+	log_k		9.6102
+	-delta_H	50.4781		kJ/mol
+#	deltafH		-4079.39	kJ/mol
+	-analytic	-1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
+#	Range		0-300
+	-Vm		195.99 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Natrosilite
+	Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
+	log_k		18.1337
+	-delta_H	-51.7686	kJ/mol
+#	deltafH		-590.36		kcal/mol
+	-analytic	-2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
+#	Range		0-300
+	-Vm		72.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Nepheline
+	NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
+	log_k		13.8006
+	-delta_H	-135.068	kJ/mol
+#	deltafH		-500.241	kcal/mol
+	-analytic	-2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
+#	Range		0-350
+	-Vm		54.16
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Nesquehonite
+	MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
+	log_k		4.9955
+	-delta_H	-36.1498	kJ/mol
+#	deltafH		-472.576	kcal/mol
+	-analytic	1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
+#	Range		0-50
+	-Vm		74.79
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+NH4Cl 
+	NH4Cl = NH4+ + Cl-
+	log_k		1.3252
+	-analytic	-3.078 1.550e-2 0 0 0 -3.451e-6  
+#	Range		0-30
+	-Vm		34.96
+#	Extrapol	Marion+12
+#	Ref		Marion+12, WangLi11 match 
+
+NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
+	NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
+	log_k		-2.7243
+	-analytic	-7.434e1 3.080e-1 0 0 0 -2.270e-4
+#	Range		25-325
+	-Vm		114.78 # Webmineral.com (Hovis04: 109.08-112.23)
+#	Extrapol	N17
+#	Ref		Wat81
+
+NH4HCO3
+	NH4HCO3 = NH4+ + HCO3-
+	log_k		-0.0207
+	-analytic	-1.587e1 9.703e-2 0 0 0 -1.472e-4
+#	Range		0-40
+	-Vm		50.04
+#	Extrapol	Marion+12
+#	Ref		Marion+12
+
+NH4-muscovite # Tobelite
+	NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		6.8109
+	-analytical	-6.638e1 3.170e-1 0 0 0 -2.386e-4
+#	Range		25-325
+	-Vm		146.07 # Hovis04
+#	Extrapol	N17
+#	Ref		Wat81
+
+Ni
+	Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
+	log_k		50.9914
+	-delta_H	-333.745	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
+#	Range		0-350
+	-Vm		6.588
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Ni(OH)2
+	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+	log_k		12.7485
+	-delta_H	-95.6523	kJ/mol
+#	deltafH		-529.998	kJ/mol
+	-analytic	-6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
+#	Range		0-200
+	-Vm		22.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ni2SiO4
+	Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
+	log_k		14.3416
+	-delta_H	-127.629	kJ/mol
+#	deltafH		-341.705	kcal/mol
+	-analytic	-4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
+#	Range		0-300
+	-Vm		42.61 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		74nau/ryz
+
+NiCl2
+	NiCl2 = Ni+2 + 2 Cl-
+	log_k		8.6113
+	-delta_H	-82.7969	kJ/mol
+#	deltafH		-305.336	kJ/mol
+	-analytic	-1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
+#	Range		0-200
+	-Vm		36.70 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiCl2:2H2O
+	NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
+	log_k		3.9327
+	-delta_H	-37.6746	kJ/mol
+#	deltafH		-922.135	kJ/mol
+	-analytic	-4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
+#	Range		0-200
+	-Vm		64.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+NiSO4
+	NiSO4 = Ni+2 + SO4-2
+	log_k		5.3197
+	-delta_H	-90.5092	kJ/mol
+#	deltafH		-873.066	kJ/mol
+	-analytic	-1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
+#	Range		0-300
+	-Vm		42.05 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+NiSO4:6H2O(alpha)
+	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+	log_k		-2.0072
+	-delta_H	4.37983		kJ/mol
+#	deltafH		-2682.99	kJ/mol
+	-analytic	-1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
+#	Range		0-200
+	-Vm		126.6 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Nickelbischofite
+	NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
+	log_k		3.1681
+	-delta_H	0.064088	kJ/mol
+#	deltafH		-2103.23	kJ/mol
+	-analytic	-1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
+#	Range		0-200
+	-Vm		123.15 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Ningyoite
+	CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
+	log_k		-29.7931
+	-delta_H	-36.4769	kJ/mol
+#	deltafH		-1016.65	kcal/mol
+	-analytic	-1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
+#	Range		0-200
+	-Vm		116.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Niter
+	KNO3 = K+ + NO3-
+	log_k		-0.2061
+	-delta_H	35.4794		kJ/mol
+#	deltafH		-494.46		kJ/mol
+	-analytic	-6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
+#	Range		0-300
+	-Vm		48.04 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Nontronite-Ca
+	Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5822
+	-delta_H	-38.138		kJ/mol
+#	deltafH		-1166.7		kcal/mol
+	-analytic	3.697 -4.892e-2 0 0 0 1.489e-5
+#	Range		0-300
+	-Vm		137.780
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C
+
+Nontronite-K
+	K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.8648
+	-delta_H	-26.5822	kJ/mol
+#	deltafH		-1167.93	kcal/mol
+	-analytic	-1.959 -3.115e-2 0 0 0 1.139e-6
+#	Range		0-300
+	-Vm		141.913
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C
+
+Nontronite-Mg
+	Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.6200
+	-delta_H	-41.1779	kJ/mol
+#	deltafH		-1162.93	kcal/mol
+	-analytic	2.476 -4.730e-2 0 0 0 1.382e-5
+#	Range		0-300
+	-Vm		136.815
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol
+
+Nontronite-Na
+	Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
+	log_k		-11.5263
+	-delta_H	-31.5687	kJ/mol
+#	deltafH		-1165.8		kcal/mol
+	-analytic	1.106 -4.045e-2 0 0 0 9.229e-6
+#	Range		0-300
+	-Vm		139.221
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C
+
+Okenite
+	CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
+	log_k		10.3816
+	-delta_H	-19.4974	kJ/mol
+#	deltafH		-749.641	kcal/mol
+	-analytic	-7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
+#	Range		0-300
+	-Vm		94.77 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+P
+	P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
+	log_k		132.1032
+	-delta_H	-848.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
+#	Range		0-300
+	-Vm		17.2 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Paragonite
+	NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
+	log_k		17.5220
+	-delta_H	-275.056	kJ/mol
+#	deltafH		-1416.96	kcal/mol
+	-analytic	3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
+#	Range		0-350
+	-Vm		132.53
+#	Extrapol	supcrt92
+#	Ref		HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06
+
+Pargasite
+	NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
+	log_k		101.9939
+	-delta_H	-880.205	kJ/mol
+#	deltafH		-3016.62	kcal/mol
+	-analytic	-6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
+#	Range		0-350
+	-Vm		273.5
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Periclase
+	MgO + 2 H+ = H2O + Mg+2
+	log_k		21.3354
+	-delta_H	-150.139	kJ/mol
+#	deltafH		-143.8		kcal/mol
+	-analytic	-8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
+#	Range		0-350
+	-Vm		11.248
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Petalite
+	LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
+	log_k		-3.8153
+	-delta_H	-13.1739	kJ/mol
+#	deltafH		-4886.15	kJ/mol
+	-analytic	-6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
+#	Range		0-300
+	-Vm		128.4 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Phlogopite
+	KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
+	log_k		37.4400
+	-delta_H	-310.503	kJ/mol
+#	deltafH		-1488.07	kcal/mol
+	-analytic	-8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
+#	Range		0-350
+	-Vm		149.66
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Polydymite
+	Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
+	log_k		-48.9062
+#	deltafH		-78.014		kcal/mol
+	-analytic	-1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
+#	Range		0-200
+	-Vm		64.14 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Portlandite
+	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+	log_k		22.5552
+	-delta_H	-128.686	kJ/mol
+#	deltafH		-986.074	kJ/mol
+	-analytic	-8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
+#	Range		0-300
+	-Vm		33.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Prehnite
+	Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
+	log_k		32.9305
+	-delta_H	-311.875	kJ/mol
+#	deltafH		-1481.65	kcal/mol
+	-analytic	-3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
+#	Range		0-350
+	-Vm		140.33
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pseudowollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.9997
+	-delta_H	-79.4625	kJ/mol
+#	deltafH		-388.9		kcal/mol
+	-analytic	2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
+#	Range		0-300
+	-Vm		40.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Pyridine
+	C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
+	log_k		490.7474
+	-delta_H	-669.9574	kcal/mol
+	-analytic	1071.04 -2.50773 0 0 0 0.00188
+#	Range		0-350
+	-Vm		64.4
+#	Extrapol	supcrt92
+#	Ref		Hel+98
+
+Pyrite
+	FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
+	log_k		-24.6534
+	-delta_H	109.535		kJ/mol
+#	deltafH		-41		kcal/mol
+	-analytic	-2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
+#	Range		0-350
+	-Vm		23.94
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Pyrolusite
+	MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
+	log_k		-17.6439
+	-delta_H	83.3804		kJ/mol
+#	deltafH		-520.031	kJ/mol
+	-analytic	-1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
+#	Range		0-300
+	-Vm		18.38 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Pyrophyllite
+	Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
+	log_k		0.4397
+	-delta_H	-102.161	kJ/mol
+#	deltafH		-1345.31	kcal/mol
+	-analytic	1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
+#	Range		0-350
+	-Vm		126.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Pyrrhotite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.7193
+	-delta_H	-7.9496		kJ/mol
+#	deltafH		-24		kcal/mol
+	-analytic	-1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
+#	Range		0-350
+	-Vm		18.2
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Quartz
+	SiO2 = SiO2
+	log_k		-3.9993
+	-delta_H	32.949		kJ/mol
+#	deltafH		-217.65		kcal/mol
+	-analytic	7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
+#	Range		0-350
+	-Vm		22.68
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rankinite
+	Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
+	log_k		51.9078
+	-delta_H	-302.089	kJ/mol
+#	deltafH		-941.7		kcal/mol
+	-analytic	-9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
+#	Range		0-300
+	-Vm		96.13 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		77bar/kna
+
+Rhodochrosite
+	MnCO3 + H+ = HCO3- + Mn+2
+	log_k		-0.1928
+	-delta_H	-21.3426	kJ/mol
+#	deltafH		-212.521	kcal/mol
+	-analytic	-1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
+#	Range		0-350
+	-Vm		31.075
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Rhodonite
+	MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
+	log_k		9.7301
+	-delta_H	-64.7121	kJ/mol
+#	deltafH		-1319.42	kJ/mol
+	-analytic	2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
+#	Range		0-300
+	-Vm		35.87 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Ripidolite
+	Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
+	log_k		60.9638
+	-delta_H	-572.472	kJ/mol
+#	deltafH		-1947.87	kcal/mol
+	-analytic	2.122e2 -6.025e-1 0 0 0 4.579e-4
+#	Range		0-300
+	-Vm		208.614
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Rutherfordine
+	UO2CO3 + H+ = HCO3- + UO2+2
+	log_k		-4.1064
+	-delta_H	-19.4032	kJ/mol
+#	deltafH		-1689.53	kJ/mol
+	-analytic	-8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
+#	Range		0-300
+	-Vm		57.90 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Rutile
+	TiO2 + 2 H2O = Ti(OH)4
+	log_k		-9.6452
+#	deltafH		-226.107	kcal/mol
+	-Vm		18.82
+#	Ref		RHF79
+
+S
+	S + H2O = 0.5 O2 + H+ + HS-
+	log_k		-45.0980
+	-delta_H	263.663		kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
+#	Range		0-300
+	-Vm		15.511 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Saleeite
+	Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
+	log_k		-19.4575
+	-delta_H	-110.816	kJ/mol
+#	deltafH		-1189.61	kcal/mol
+	-analytic	-6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
+#	Range		0-200
+	-Vm		285.77 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		78lan
+
+Sanidine_high
+	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+	log_k		0.9239
+	-delta_H	-35.0284	kJ/mol
+#	deltafH		-946.538	kcal/mol
+	-analytic	-3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
+#	Range		0-350
+	-Vm		109.008
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Saponite-Fe-Ca
+	Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		20.3624
+	-analytic	5.992e1 -1.681e-1 0 0 0 1.174e-4
+#	Range		0-300
+	-Vm		143.506
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Fe
+	Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.9359
+	-analytic	5.762e1 -1.630e-1 0 0 0 1.099e-4
+#	Range		0-300
+	-Vm		142.672
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-K
+	K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		18.7937
+	-analytic	5.427e1 -1.504e-1 0 0 0 1.037e-4
+#	Range		0-300
+	-Vm		147.639
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Mg
+	Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.5290
+	-analytic	5.870e1 -1.665e-1 0 0 0 1.163e-4
+#	Range		0-300
+	-Vm		142.541
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Fe-Na
+	Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		19.7977
+	-analytic	5.733e1 -1.597e-1 0 0 0 1.117e-4
+#	Range		0-300
+	-Vm		144.947
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-Ca
+	Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2900
+	-delta_H	-207.971	kJ/mol
+#	deltafH		-1436.51	kcal/mol
+	-analytic	8.088e1 -2.233e-1 0 0 0 1.655e-4
+#	Range		0-300
+	-Vm		141.250
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol match
+
+Saponite-Mg-Fe
+	Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		27.6789
+	-analytic	7.825e1 -2.180e-1 0 0 0 1.612e-4
+#	Range		0-300
+	-Vm		140.416
+#	Extrapol	supcrt92
+#	Ref		Catalano13
+
+Saponite-Mg-K
+	K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.0075
+	-delta_H	-196.402	kJ/mol
+#	deltafH		-1437.74	kcal/mol
+	-analytic	7.522e1 -2.055e-1 0 0 0 1.517e-4
+#	Range		0-300
+	-Vm		145.383
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C
+
+Saponite-Mg-Mg
+	Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.2523
+	-delta_H	-210.822	kJ/mol
+#	deltafH		-1432.79	kcal/mol
+	-analytic	7.965e1 -2.217e-1 0 0 0 1.644e-4
+#	Range		0-300
+	-Vm		140.285
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C
+
+Saponite-Mg-Na
+	Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
+	log_k		26.3459
+	-delta_H	-201.401	kJ/mol
+#	deltafH		-1435.61	kcal/mol
+	-analytic	7.829e1 -2.148e-1 0 0 0 1.598e-4
+#	Range		0-300
+	-Vm		142.691
+#	Extrapol	supcrt92, Cp integration
+#	Ref		Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C
+
+Sc
+	Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
+	log_k		167.2700
+	-delta_H	-1033.87	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
+#	Range		0-300
+	-Vm		15.038 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Scacchite
+	MnCl2 = Mn+2 + 2 Cl-
+	log_k		8.7785
+	-delta_H	-73.4546	kJ/mol
+#	deltafH		-481.302	kJ/mol
+	-analytic	-2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
+#	Range		0-300
+	-Vm		42.27 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Schoepite
+	UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
+	log_k		4.8333
+	-delta_H	-50.415		kJ/mol
+#	deltafH		-1826.1		kJ/mol
+	-analytic	1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
+#	Range		0-300
+	-Vm		66.08 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+Scolecite
+	CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
+	log_k		15.8767
+	-delta_H	-204.93		kJ/mol
+#	deltafH		-6048.92	kJ/mol
+	-analytic	5.0656e1 -3.1485e-3 1.0574e4 -2.5663e1 -5.2769e5
+#	Range		0-300
+	-Vm		172.29 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		83joh/flo
+
+Sepiolite
+	Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
+	log_k		30.4439
+	-delta_H	-157.339	kJ/mol
+#	deltafH		-2418		kcal/mol
+	-analytic	1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
+#	Range		0-350
+	-Vm		285.6
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Si
+	Si + O2 = SiO2
+	log_k		148.9059
+	-delta_H	-865.565	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
+#	Range		0-300
+	-Vm		12.056 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Siderite
+	FeCO3 + H+ = Fe+2 + HCO3-
+	log_k		-0.1920
+	-delta_H	-32.5306	kJ/mol
+#	deltafH		-179.173	kcal/mol
+	-analytic	-1.5990e2 -4.9361e-2 5.4947e3 6.3032e1 8.5787e1
+#	Range		0-350
+	-Vm		29.378
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sillimanite
+	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+	log_k		16.3080
+	-delta_H	-238.442	kJ/mol
+#	deltafH		-615.099	kcal/mol
+	-analytic	-7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
+#	Range		0-350
+	-Vm		49.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+SiO2(am)
+	SiO2 = SiO2
+        log_k		-2.7136
+	-delta_H	20.0539		kJ/mol
+#	deltafH		-214.568	kcal/mol
+	-analytic	1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
+#	Range		0-325
+	-Vm		29
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sm
+	Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
+	log_k		133.1614
+	-delta_H	-783.944	kJ/mol
+#	deltafH 	0		kJ/mol
+	-analytic	-7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
+#	Range		0-300
+	-Vm		19.98 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Smectite-high-Fe-Mg
+        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O 
+	log_k		17.4200
+	-delta_H	-199.841	kJ/mol
+#	deltafH		-1351.39	kcal/mol
+	-analytic	-9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
+#	Range		0-300
+	-Vm		139.07 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smectite-low-Fe-Mg
+        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O 
+	log_k		11.0405
+	-delta_H	-144.774	kJ/mol
+#	deltafH		-1352.12	kcal/mol
+	-analytic	-1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
+#	Range		0-300
+	-Vm		139.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		78wol
+
+Smithsonite
+	ZnCO3 + H+ = HCO3- + Zn+2
+	log_k		0.4633
+	-delta_H	-30.5348	kJ/mol
+#	deltafH		-194.26		kcal/mol
+	-analytic	-1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
+#	Range		0-350
+	-Vm		28.275
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Sphaerocobaltite
+	CoCO3 + H+ = Co+2 + HCO3-
+	log_k		-0.2331
+	-delta_H	-30.7064	kJ/mol
+#	deltafH		-171.459	kcal/mol
+	-analytic	-1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
+#	Range		0-300
+	-Vm		28.8 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		84sve
+
+Sphalerite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-11.4400
+	-delta_H	35.5222		kJ/mol
+#	deltafH		-49		kcal/mol
+	-analytic	-1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
+#	Range		0-350
+	-Vm		23.83
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel
+	Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+	log_k		37.6295
+	-delta_H	-398.108	kJ/mol
+#	deltafH		-546.847	kcal/mol
+	-analytic	-3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
+#	Range		0-350
+	-Vm		39.71
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Spinel-Co
+	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
+	log_k		-6.4852
+	-delta_H	-126.415	kJ/mol
+#	deltafH		-891		kJ/mol
+	-analytic	-3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
+#	Range		0-300
+	-Vm		39.41 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Spodumene
+	LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
+	log_k		6.9972
+	-delta_H	-89.1817	kJ/mol
+#	deltafH		-3054.75	kJ/mol
+	-analytic	-9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
+#	Range		0-300
+	-Vm		58.37 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Stilbite
+	Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
+	log_k		1.0545
+	-delta_H	-83.0019	kJ/mol
+#	deltafH		-11005.7	kJ/mol
+	-analytic	-2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
+#	Range		0-300
+	-Vm		333.50 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		90how/joh
+
+Strengite
+	FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
+	log_k		-11.3429
+	-delta_H	-37.107		kJ/mol
+#	deltafH		-1876.23	kJ/mol
+	-analytic	-2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
+#	Range		0-300
+	-Vm		65.10 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Sylvite
+	KCl = Cl- + K+
+	log_k		0.8459
+	-delta_H	17.4347		kJ/mol
+#	deltafH		-104.37		kcal/mol
+	-analytic	-8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
+#	Range		0-350
+	-Vm		37.524
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Talc
+	Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
+	log_k		21.1383
+	-delta_H	-148.737	kJ/mol
+#	deltafH		-1410.92	kcal/mol
+	-analytic	1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
+#	Range		0-350
+	-Vm		136.25
+#	Extrapol	supcrt92
+#	Ref		HDN+78, Wilson+06 match
+
+Tarapacaite
+	K2CrO4 = CrO4-2 + 2 K+
+	log_k		-0.4037
+	-delta_H	17.8238		kJ/mol
+#	deltafH		-335.4		kcal/mol
+	-analytic	2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
+#	Range		0-200
+	-Vm		70.87 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+Tenorite
+	CuO + 2 H+ = Cu+2 + H2O
+	log_k		7.6560
+	-delta_H	-64.5047	kJ/mol
+#	deltafH		-37.2		kcal/mol
+	-analytic	-8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
+#	Range		0-350
+	-Vm		12.22
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Tephroite
+	Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
+	log_k		23.0781
+	-delta_H	-160.1		kJ/mol
+#	deltafH		-1730.47	kJ/mol
+	-analytic	-3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
+#	Range		0-300
+	-Vm		47.52 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th
+	Th + 4 H+ + O2 = Th+4 + 2 H2O
+	log_k		209.6028
+	-delta_H	-1328.56	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
+#	Range		0-300
+	-Vm		19.83 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Th(NO3)4:5H2O
+	Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
+	log_k		1.7789
+	-delta_H	-18.1066	kJ/mol
+#	deltafH		-3007.35	kJ/mol
+	-analytic	-1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
+#	Range		0-200
+	-Vm		203.62 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th(SO4)2
+	Th(SO4)2 = Th+4 + 2 SO4-2
+	log_k		-20.3006
+	-delta_H	-46.1064	kJ/mol
+#	deltafH		-2542.12	kJ/mol
+	-analytic	-8.4525 -3.5442e-2 0 0 -1.1540e5
+#	Range		0-200
+	-Vm		100.39 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Th2S3
+	Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
+	log_k		95.2290
+	-delta_H	-783.243	kJ/mol
+#	deltafH		-1082.89	kJ/mol
+	-analytic	-3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
+#	Range		0-300
+	-Vm		71.19 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Th7S12
+	Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
+	log_k		204.0740
+	-delta_H	-1999.4		kJ/mol
+#	deltafH		-4136.58	kJ/mol
+	-analytic	-2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
+#	Range		0-200
+	-Vm		248.02 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ThCl4
+	ThCl4 = Th+4 + 4 Cl-
+	log_k		23.8491
+	-delta_H	-251.094	kJ/mol
+#	deltafH		-283.519	kcal/mol
+	-analytic	-5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
+#	Range		0-200
+	-Vm		81.45 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		80lan/her
+
+ThS2
+	ThS2 + 2 H+ = Th+4 + 2 HS-
+	log_k		10.7872
+	-delta_H	-175.369	kJ/mol
+#	deltafH		-625.867	kJ/mol
+	-analytic	-3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
+#	Range		0-200
+	-Vm		40.57 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Thenardite
+	Na2SO4 = SO4-2 + 2 Na+
+	log_k		-0.3091
+	-delta_H	-2.33394	kJ/mol
+#	deltafH		-1387.87	kJ/mol
+	-analytic	-2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
+#	Range		0-300
+	-Vm		53.33 # Marion+05
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+Thermonatrite
+	Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
+	log_k		10.9623
+	-delta_H	-27.5869	kJ/mol
+#	deltafH		-1428.78	kJ/mol
+	-analytic	-1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
+#	Range		0-300
+	-Vm		54.92 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Thorianite
+	ThO2 + 4 H+ = Th+4 + 2 H2O
+	log_k		1.8624
+	-delta_H	-114.296	kJ/mol
+#	deltafH		-1226.4		kJ/mol
+	-analytic	-1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
+#	Range		0-300
+	-Vm		26.373 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Ti
+	Ti + 2 H2O + O2 = Ti(OH)4
+	log_k		149.2978
+#	deltafH		0		kJ/mol
+	-Vm		10.631 # thermo.com.V8.R6+.tdat
+#	Ref		CWM89
+
+Ti2O3
+	Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
+	log_k		42.9866
+#	deltafH		-1520.78	kJ/mol
+	-Vm		32.02 # gfw/density
+#	Ref		WEP+82
+
+Ti3O5
+	Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
+	log_k		34.6557
+#	deltafH		-2459.24	kJ/mol
+	-Vm		48.93 # gfw/density
+#	Ref		WEP+82
+
+TiB2
+	TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
+	log_k		312.4194
+#	deltafH		-323.883	kJ/mol
+	-Vm		15.37 # gfw/density
+#	Ref		WEP+82
+
+TiC
+	TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
+	log_k		181.8139
+#	deltafH		-184.346	kJ/mol
+	-Vm		12.15 # gfw/density
+#	Ref		WEP+82
+
+TiCl2
+	TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
+	log_k		70.9386
+#	deltafH		-514.012	kJ/mol
+	-Vm		37.95 # gfw/density
+#	Ref		WEP+82
+
+TiCl3
+	TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
+	log_k		39.3099
+#	deltafH		-720.775	kJ/mol
+	-Vm		58.42 # gfw/density
+#	Ref		WEP+82
+
+TiN
+	TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
+	log_k		35.2344
+#	deltafH		-338.304	kJ/mol
+	-Vm		11.46 # gfw/density
+#	Ref		WEP+82
+
+Titanite
+	CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
+	log_k		719.5839
+#	deltafH		0		kcal/mol
+	-Vm		55.65
+#	Ref		RHF79
+
+Tobermorite-11A
+	Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
+	log_k		65.6121
+	-delta_H	-286.861	kJ/mol
+#	deltafH		-2556.42	kcal/mol
+	-analytic	7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
+#	Range		0-300
+	-Vm		286.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		82sar/bar
+
+Tremolite
+	Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
+	log_k		61.2367
+	-delta_H	-406.404	kJ/mol
+#	deltafH		-2944.04	kcal/mol
+	-analytic	8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
+#	Range		0-350
+	-Vm		272.92
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Trevorite
+	NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
+	log_k		9.7876
+	-delta_H	-215.338	kJ/mol
+#	deltafH		-1081.15	kJ/mol
+	-analytic	-1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
+#	Range		0-200
+	-Vm		44.89 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		RHF79
+
+Tridymite
+	SiO2 = SiO2
+	log_k		-3.8278
+	-delta_H	31.3664		kJ/mol
+#	deltafH		-909.065	kJ/mol
+	-analytic	3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
+#	Range		0-200
+	-Vm		26.12 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Troilite
+	FeS + H+ = Fe+2 + HS-
+	log_k		-3.8184
+	-delta_H	-7.3296		kJ/mol
+#	deltafH		-101.036	kJ/mol
+	-analytic	-1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
+#	Range		0-300
+	-Vm		19.07 # Webmineral.com
+#	Extrapol	Cp integration
+#	Ref		RHF79
+
+U
+	U + 2 H+ + 1.5 O2 = H2O + UO2+2
+	log_k		212.7800
+	-delta_H	-1286.64	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
+#	Range		0-300
+	-Vm		12.49 # Webelements.com
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+U2O2Cl5
+	U2O2Cl5 = U+4 + UO2+ + 5 Cl-
+	log_k		19.2752
+	-delta_H	-254.325	kJ/mol
+#	deltafH		-2197.4		kJ/mol
+	-analytic	-4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
+#	Range		0-300
+	-Vm		142.48 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+U3S5
+	U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
+	log_k		-0.3680
+	-delta_H	-218.942	kJ/mol
+#	deltafH		-1431		kJ/mol
+	-analytic	-1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
+#	Range		0-200
+	-Vm		106.12 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UC
+	UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
+	log_k		194.8241
+	-delta_H	-1202.82	kJ/mol
+#	deltafH		-97.9		kJ/mol
+	-analytic	-4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
+#	Range		0-300
+	-Vm		18.34 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl3
+	UCl3 = U+3 + 3 Cl-
+	log_k		13.0062
+	-delta_H	-126.639	kJ/mol
+#	deltafH		-863.7		kJ/mol
+	-analytic	-2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
+#	Range		0-300
+	-Vm		62.62 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl4
+	UCl4 = U+4 + 4 Cl-
+	log_k		21.9769
+	-delta_H	-240.719	kJ/mol
+#	deltafH		-1018.8		kJ/mol
+	-analytic	-3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
+#	Range		0-300
+	-Vm		78.00 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UCl6
+	UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
+	log_k		57.5888
+	-delta_H	-383.301	kJ/mol
+#	deltafH		-1066.5		kJ/mol
+	-analytic	-4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
+#	Range		0-300
+	-Vm		125.21 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UH3(beta)
+	UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
+	log_k		199.7683
+	-delta_H	-1201.43	kJ/mol
+#	deltafH		-126.98		kJ/mol
+	-analytic	5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
+#	Range		0-200
+	-Vm		22.01 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UN
+	UN + 3 H+ = NH3 + U+3
+	log_k		41.7130
+	-delta_H	-280.437	kJ/mol
+#	deltafH		-290		kJ/mol
+	-analytic	-1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
+#	Range		0-300
+	-Vm		45.85 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(NO3)2
+	UO2(NO3)2 = UO2+2 + 2 NO3-
+	log_k		11.9598
+	-delta_H	-81.6219	kJ/mol
+#	deltafH		-1351		kJ/mol
+	-analytic	-1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
+#	Range		0-200
+	-Vm		140.23 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO2(NO3)2:6H2O
+	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+	log_k		2.3189
+	-delta_H	19.8482		kJ/mol
+#	deltafH		-3167.5		kJ/mol
+	-analytic	-1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
+#	Range		0-300
+	-Vm		178.88 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2(OH)2(beta)
+	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+	log_k		4.9457
+	-delta_H	-56.8767	kJ/mol
+#	deltafH		-1533.8		kJ/mol
+	-analytic	-1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
+#	Range		0-300
+	-Vm		51.31 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4
+	UO2SO4 = SO4-2 + UO2+2
+	log_k		1.9681
+	-delta_H	-83.4616	kJ/mol
+#	deltafH		-1845.14	kJ/mol
+	-analytic	-1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
+#	Range		0-300
+	-Vm		111.61 # gfw/density
+#	Extrapol	Cp integration
+#	Ref		92gre/fug
+
+UO2SO4:3H2O
+	UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
+	log_k		-1.4028
+	-delta_H	-34.6176	kJ/mol
+#	deltafH		-2751.5		kJ/mol
+	-analytic	-5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
+#	Range		0-200
+	-Vm		108.34 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+UO3(beta)
+	UO3 + 2 H+ = H2O + UO2+2
+	log_k		8.3095
+	-delta_H	-84.5383	kJ/mol
+#	deltafH		-1220.3		kJ/mol
+	-analytic	-1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
+#	Range		0-300
+	-Vm		34.46 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		92gre/fug
+
+Uraninite
+	UO2 + 4 H+ = U+4 + 2 H2O
+	log_k		-4.8372
+	-delta_H	-77.8767	kJ/mol
+#	deltafH		-1085		kJ/mol
+	-analytic	-7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
+#	Range		0-325
+	-Vm		24.638
+#	Extrapol	Cp integration
+#	Ref		CWM89, SSB97 match
+
+Vaesite
+	NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
+	log_k		-26.7622
+	-delta_H	110.443		kJ/mol
+#	deltafH		-32.067		kcal/mol
+	-analytic	1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
+#	Range		0-200
+	-Vm		27.697 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		78vau/cra
+
+Wairakite
+	CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O
+	log_k		18.0762
+	-delta_H	-237.781	kJ/mol
+#	deltafH		-1579.33	kcal/mol
+	-analytic	-1.7914e1 3.2944e-3 2.2782e4 -9.0981 -1.6934e6
+#	Range		0-350
+	-Vm		186.87
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wollastonite
+	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+	log_k		13.7605
+	-delta_H	-76.5756	kJ/mol
+#	deltafH		-389.59		kcal/mol
+	-analytic	3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
+#	Range		0-350
+	-Vm		39.93
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wurtzite
+	ZnS + H+ = HS- + Zn+2
+	log_k		-9.1406
+	-delta_H	22.3426		kJ/mol
+#	deltafH		-45.85		kcal/mol
+	-analytic	-1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
+#	Range		0-350
+	-Vm		23.846
+#	Extrapol	supcrt92
+#	Ref		HDN+78
+
+Wustite
+	Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
+	log_k		12.4113
+	-delta_H	-102.417	kJ/mol
+#	deltafH		-266.265	kJ/mol
+	-analytic	-7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
+#	Range		0-300
+	-Vm		12.04 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+Xonotlite
+	Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
+	log_k		91.8267
+	-delta_H	-495.457	kJ/mol
+#	deltafH		-2397.25	kcal/mol
+	-analytic	1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
+#	Range		0-200
+	-Vm		264.81 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		82sar/bar
+
+Zincite
+	ZnO + 2 H+ = H2O + Zn+2
+	log_k		11.2087
+	-delta_H	-88.7638	kJ/mol
+#	deltafH		-350.46		kJ/mol
+	-analytic	-8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
+#	Range		0-350
+	-Vm		14.338
+#	Extrapol	supcrt92, Cp integration
+#	Ref		SSW+97, CWM89 match
+
+Zn
+	Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
+	log_k		68.8035
+	-delta_H	-433.157	kJ/mol
+#	deltafH		0		kJ/mol
+	-analytic	-6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
+#	Range		0-300
+	-Vm		9.162 # thermo.com.V8.R6+.tdat
+#	Extrapol	Cp integration
+#	Ref		CWM89
+
+Zn(NO3)2:6H2O
+	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+	log_k		3.4102
+	-delta_H	24.7577		kJ/mol
+#	deltafH		-2306.8		kJ/mol
+	-analytic	-1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
+#	Range		0-200
+	-Vm		144.06 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(beta)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.9341
+	-delta_H	-83.2111	kJ/mol
+#	deltafH		-641.851	kJ/mol
+	-analytic	-7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn(OH)2(epsilon)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k		11.6625
+	-delta_H	-81.7811	kJ/mol
+#	deltafH		-643.281	kJ/mol
+	-analytic	-7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
+#	Range		0-200
+	-Vm		32.60 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zn2SiO4
+	Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
+	log_k		13.8695
+	-delta_H	-119.399	kJ/mol
+#	deltafH		-1636.75	kJ/mol
+	-analytic	2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
+#	Range		0-200
+	-Vm		55.03 # Webmineral.com
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCl2
+	ZnCl2 = Zn+2 + 2 Cl-
+	log_k		7.0880
+	-delta_H	-72.4548	kJ/mol
+#	deltafH		-415.09		kJ/mol
+	-analytic	-1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
+#	Range		0-200
+	-Vm		46.84 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnCr2O4
+	ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
+	log_k		7.9161
+	-delta_H	-221.953	kJ/mol
+#	deltafH		-370.88		kcal/mol
+	-analytic	-1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
+#	Range		0-200
+	-Vm		44.03 # thermo.com.V8.R6+.tdat
+#	Extrapol	Constant H approx
+#	Ref		76del/hal
+
+ZnSO4
+	ZnSO4 = SO4-2 + Zn+2
+	log_k		3.5452
+	-delta_H	-80.132		kJ/mol
+#	deltafH		-982.855	kJ/mol
+	-analytic	6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
+#	Range		0-200
+	-Vm		45.61 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+ZnSO4:6H2O
+	ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
+	log_k		-1.6846
+	-delta_H	-0.412008	kJ/mol
+#	deltafH		-2777.61	kJ/mol
+	-analytic	-1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
+#	Range		0-200
+	-Vm		130.08 # gfw/density
+#	Extrapol	Constant H approx
+#	Ref		WEP+82
+
+Zoisite
+	Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+	log_k		43.3017
+	-delta_H	-458.131	kJ/mol
+#	deltafH		-1643.69	kcal/mol
+	-analytic	2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
+#	Range		0-350
+	-Vm		135.9
+#	Extrapol	supcrt92
+#	Ref		HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C
+
+#----------
+# 15 gases
+#----------
+
+C2H4(g)
+	C2H4 = C2H4
+	log_k		-2.323631
+	-delta_H	-3.930		kcal/mol
+	-analytic	-14.5616 0.0176 2192.2 0 0 -3.8657e-6
+#	Range		0-350
+	-T_c		283 # K
+	-P_c		50.53
+	-Omega		0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+C2H6(g)
+	C2H6 = C2H6
+	log_k		-2.93276
+	-delta_H	-4.509		kcal/mol
+	-analytic	-23.1154 0.0354 3289.1 0 0 -1.5637e-5
+#	Range		0-350
+	-T_c		305 # K
+	-P_c		48.16
+	-Omega		0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98	
+
+C3H8(g)
+	C3H8 = C3H8
+	log_k		-2.876
+	-analytic	1.885	-2.55e-2 0 0 0 3.20e-5 # Not the best
+#	Range		0-350
+	-T_c		369.522 # K
+	-P_c		42.4924
+	-Omega		0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		HOK+98
+
+CH4(g)
+	CH4 = CH4 
+	log_k		-2.8502
+	-delta_H	-13.0959	kJ/mol
+#	deltafH		-17.88		kcal/mol
+	-analytic	-24.027 4.7146e-3 372.27 6.4264 2.3362e5
+#	Range		0-350
+	-T_c		190.6 # K
+	-P_c		45.40
+	-Omega		0.008 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+CO(g)
+	CO = CO
+	log_k		-3.0068
+	-delta_H	-10.4349	kJ/mol
+#	deltafH		-26.416		kcal/mol
+	-analytic	-8.0849 9.2114e-3 0 0 2.0813e5
+#	Range		0-350
+	-T_c		133 # K
+	-P_c		34.54
+	-Omega		0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Sho93
+
+CO2(g)
+	CO2 + H2O = H+ + HCO3-   
+	log_k		-7.8136
+	-delta_H	-10.5855	kJ/mol
+#	deltafH		-94.051		kcal/mol
+	-analytic	-8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
+#	Range		0-350
+	-T_c		304.25 # K
+	-P_c		72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
+	-Omega		0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2(g)
+	H2 = H2
+	log_k		-3.1050
+	-delta_H	-4.184		kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+#	Range		0-350
+	-T_c		33.2 # K
+	-P_c		12.80
+	-Omega		0.225 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+H2O(g)
+	H2O = H2O       
+	log_k		1.5854
+	-delta_H	-43.4383	kJ/mol
+#	deltafH		-57.935		kcal/mol
+	-analytic	-1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
+#	Range		0-350
+	-T_c		647.3 # K
+	-P_c		218.31
+	-Omega		0.344 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
+#	Ref		Joh90
+
+H2S(g)
+	H2S = H+ + HS-     
+	log_k		-7.9759
+	-delta_H	4.5229		kJ/mol
+#	deltafH		-4.931		kcal/mol
+	-analytic	-97.354 -3.1576e-2 1.8285e3 37.44 28.56
+#	Range		0-350
+	-T_c		373.2 # K
+	-P_c		88.20
+	-Omega		0.1
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+N2(g)
+	N2 = N2
+	log_k		-3.1864 
+	-delta_H	-10.4391	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
+#	Range		0-350
+	-T_c		126.2 # K
+	-P_c		33.50
+	-Omega		0.039
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NH3(g)
+	NH3 = NH3       
+	log_k		1.7966
+	-delta_H	-35.2251	kJ/mol
+#	deltafH		-11.021		kcal/mol
+	-analytic	-18.758 3.3670e-4 2.5113e3 4.8619 39.192
+#	Range		0-350
+	-T_c		405.6 # K
+	-P_c		111.3
+	-Omega		0.25
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+NO(g)
+	NO + 0.5 H2O + 0.25 O2 = H+ + NO2- 
+	log_k		0.7554
+	-delta_H	-48.8884	kJ/mol
+#	deltafH		90.241		kJ/mol
+	-analytic	8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
+#	Range		0-300
+	-T_c		180 # K
+	-P_c		64.64
+	-Omega		0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92, Cp integration
+#	Ref		AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag
+
+NO2(g)
+	NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- 
+	log_k		8.3673
+	-delta_H	-94.0124	kJ/mol
+#	deltafH		33.154		kJ/mol
+	-analytic	9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
+#	Range		0-300
+	-T_c		431 # K
+	-P_c		99.67
+	-Omega		0 # Not found
+#	Extrapol	Cp integration
+#	Ref		WEP+82
+
+O2(g)
+	O2 = O2       
+	log_k		-2.8983
+	-delta_H	-12.1336	kJ/mol
+#	deltafH		0		kcal/mol
+	-analytic	-7.5001 7.8981e-3 0.0 0.0 2.0027e5
+#	Range		0-300
+	-T_c		154.6 # K phreeqc.dat
+	-P_c		49.80 # phreeqc.dat
+	-Omega		0.021 # phreeqc.dat
+#	Extrapol	supcrt92
+#	Ref		WEP+82, Kel60
+
+SO2(g)
+	SO2 = SO2
+	log_k		0.1700
+	-delta_H	0
+#	deltafH		0		kcal/mol
+	-analytic	-2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
+#	Range		0-300
+	-T_c		430 # K
+	-P_c		77.67
+	-Omega		0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
+#	Extrapol	supcrt92
 #	Ref		WEP+82, Kel60
\ No newline at end of file
diff --git a/database/iso.dat b/database/iso.dat
index 8558cd69..c922df33 100644
--- a/database/iso.dat
+++ b/database/iso.dat
@@ -1,737 +1,741 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\iso.dat, 15/03/2024  15:26, 7231 lines, 260799 bytes, md5=319d28e882b25a6f83f095da65c50849
+# Created 17 May 2024 14:30:37
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "iso.dat"
+
 SOLUTION_MASTER_SPECIES
-E            e-             0       0               0.0
-H            H3O+           -1      H               1.008
-H(0)         H2             0       H
-H(1)         H3O+           -1      H
-O            H2O            0       O               16.00
-O(0)         O2             0       O
-O(-2)        H2O            0       O
-Ca           Ca+2           0       Ca              40.08
-Mg           Mg+2           0       Mg              24.312
-Na           Na+            0       Na              22.9898
-K            K+             0       K               39.102
-Fe           Fe+2           0.0     Fe              55.847
-Fe(+2)       Fe+2           0.0     Fe
-Fe(+3)       Fe+3           -2.0    Fe
-Al           Al+3           0.0     Al              26.9815
-Si           H4SiO4         0.0     SiO2            28.0843
-Cl           Cl-            0       Cl              35.453
-C            CO2            0       HCO3            12.0111
-C(4)         CO2            0       HCO3
-C(-4)        CH4            0       CH4
-S            SO4-2          0       S               31.972
-S(6)         SO4-2          0       SO4
-S(-2)        HS-            1       S
-N            NO3-           0       N               14.0067
-N(+5)        NO3-           0       N
-N(+3)        NO2-           0       N
-N(0)         N2             0       N
-N(-3)        NH4+           0       N
-P            PO4-3          2.0     P               30.9738
-F            F-             0.0     F               18.9984
-Br           Br-            0.0     Br              79.904
-Alkalinity   CO2            0.0     50.05           50.05
+E e- 1 0 0
+H H3O+ -1 H 1.008
+H(0) H2 0 H
+H(1) H3O+ -1 H
+O H2O 0 O 16
+O(0) O2 0 O
+O(-2) H2O 0 O
+Ca Ca+2 0 Ca 40.08
+Mg Mg+2 0 Mg 24.312
+Na Na+ 0 Na 22.9898
+K K+ 0 K 39.102
+Fe Fe+2 0 Fe 55.847
+Fe(+2) Fe+2 0 Fe
+Fe(+3) Fe+3 -2 Fe
+Al Al+3 0 Al 26.9815
+Si H4SiO4 0 SiO2 28.0843
+Cl Cl- 0 Cl 35.453
+C CO2 0 HCO3 12.0111
+C(4) CO2 0 HCO3
+C(-4) CH4 0 CH4
+S SO4-2 0 S 31.972
+S(6) SO4-2 0 SO4
+S(-2) HS- 1 S
+N NO3- 0 N 14.0067
+N(+5) NO3- 0 N
+N(+3) NO2- 0 N
+N(0) N2 0 N
+N(-3) NH4+ 0 N
+P PO4-3 2 P 30.9738
+F F- 0 F 18.9984
+Br Br- 0 Br 79.904
+Alkalinity CO2 0 50.05 50.05
 
 SOLUTION_SPECIES
 H3O+ = H3O+
-     log_k           0.000
-     -gamma          9.0000    0.0000
+     log_k 0
+     -gamma 9 0
 
 e- = e-
-     log_k           0.000
+     log_k 0
 
 H2O = H2O
-     log_k           0.000
+     log_k 0
 
 Ca+2 = Ca+2
-     log_k           0.000
-     -gamma          5.0000    0.1650
+     log_k 0
+     -gamma 5 0.165
 
 Mg+2 = Mg+2
-     log_k           0.000
-     -gamma          5.5000    0.2000
+     log_k 0
+     -gamma 5.5 0.2
 
 Na+ = Na+
-     log_k           0.000
-     -gamma          4.0000    0.0750
+     log_k 0
+     -gamma 4 0.075
 
 K+ = K+
-     log_k           0.000
-     -gamma          3.5000    0.0150
+     log_k 0
+     -gamma 3.5 0.015
 
 Fe+2 = Fe+2
-     log_k           0.000
-     -gamma          6.0000    0.0000
+     log_k 0
+     -gamma 6 0
 
 Al+3 = Al+3
-     log_k           0.000
-     -gamma          9.0000    0.0000
+     log_k 0
+     -gamma 9 0
 
 H4SiO4 = H4SiO4
-        log_k           0.000
+        log_k 0
 
 Cl- = Cl-
-     log_k           0.000
-     -gamma          3.5000    0.0150
+     log_k 0
+     -gamma 3.5 0.015
 
 SO4-2 = SO4-2
-     log_k           0.000
-     -gamma          5.0000   -0.0400
+     log_k 0
+     -gamma 5 -0.04
 
 NO3- = NO3-
-     log_k           0.000
-     -gamma          3.0000    0.0000
+     log_k 0
+     -gamma 3 0
 
 PO4-3 = PO4-3
-        log_k           0.000
-        -gamma    4.0000    0.0000
+        log_k 0
+        -gamma 4 0
 
 F- = F-
-        log_k           0.000
-        -gamma    3.5000    0.0000
+        log_k 0
+        -gamma 3.5 0
 
 Br- = Br-
-        log_k           0.000
-        -gamma    3.0000    0.0000
+        log_k 0
+        -gamma 3 0
 
-2H2O = OH- + H3O+
-     log_k           -14.000
-     delta_h         13.362 kcal
-     -analytic       -283.971       -0.05069842  13323.0    102.24447      -1119669.0
-     -gamma          3.5000    0.0000
+2 H2O = OH- + H3O+
+     log_k -14
+     delta_h 13.362 kcal
+     -analytic -283.971 -0.05069842 13323 102.24447 -1119669
+     -gamma 3.5 0
 
 6 H2O = O2 + 4 H3O+ + 4 e-
-     log_k           -86.08
-     delta_h         134.79 kcal
+     log_k -86.08
+     delta_h 134.79 kcal
 
-2 H3O+ + 2 e- = H2 + 2H2O
-     log_k           -3.15
-     delta_h         -1.759 kcal
+2 H3O+ + 2 e- = H2 + 2 H2O
+     log_k -3.15
+     delta_h -1.759 kcal
 
-CO2 + 2H2O = HCO3- + H3O+
-     log_k           -6.352  
-     delta_h         2.177 kcal
-     -analytic       -356.3094       -0.06092        21834.37        126.8339        -1684915 
+CO2 + 2 H2O = HCO3- + H3O+
+     log_k -6.352
+     delta_h 2.177 kcal
+     -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915
 
-CO2 + 3H2O = CO3-2 + 2H3O+
-     log_k           -16.681
-     delta_h         5.738 kcal
-     -analytic       -464.1965       -0.09344813  26986.16    165.75951      -2248628.9
+CO2 + 3 H2O = CO3-2 + 2 H3O+
+     log_k -16.681
+     delta_h 5.738 kcal
+     -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9
 
 CO3-2 + 10 H3O+ + 8 e- = CH4 + 13 H2O
-     log_k           41.071
-     delta_h         -61.039 kcal
+     log_k 41.071
+     delta_h -61.039 kcal
 
 SO4-2 + H3O+ = HSO4- + H2O
-     log_k           1.988
-     delta_h         3.85 kcal
-     -analytic       -56.889        0.006473    2307.9       19.8858         0.0
+     log_k 1.988
+     delta_h 3.85 kcal
+     -analytic -56.889 0.006473 2307.9 19.8858 0
 
 SO4-2 + 9 H3O+ + 8 e- = HS- + 13 H2O
-     log_k           33.65
-     delta_h         -60.140 kcal
-     -gamma          3.5000    0.0000
+     log_k 33.65
+     delta_h -60.14 kcal
+     -gamma 3.5 0
 
 HS- + H2O = S-2 + H3O+
-     log_k           -12.918
-     delta_h         12.1 kcal
-     -gamma          5.0000    0.0000
+     log_k -12.918
+     delta_h 12.1 kcal
+     -gamma 5 0
 
 HS- + H3O+ = H2S + H2O
-     log_k           6.994
-     delta_h         -5.300 kcal
-     -analytic       -11.17    0.02386       3279.0
+     log_k 6.994
+     delta_h -5.3 kcal
+     -analytic -11.17 0.02386 3279
 
-NO3- + 2 H3O+ + 2 e- = NO2- + 3H2O
-     log_k           28.570
-     delta_h         -43.760 kcal
-     -gamma          3.0000    0.0000
+NO3- + 2 H3O+ + 2 e- = NO2- + 3 H2O
+     log_k 28.57
+     delta_h -43.76 kcal
+     -gamma 3 0
 
-2 NO3- + 12 H3O+ + 10e- = N2 + 18 H2O
-     log_k           207.080
-     delta_h         -312.130 kcal
+2 NO3- + 12 H3O+ + 10 e- = N2 + 18 H2O
+     log_k 207.08
+     delta_h -312.13 kcal
 
 NH4+ + H2O = NH3 + H3O+
-     log_k           -9.252
-     delta_h         12.48 kcal
-     -analytic       0.6322    -0.001225  -2835.76
+     log_k -9.252
+     delta_h 12.48 kcal
+     -analytic 0.6322 -0.001225 -2835.76
 
 NO3- + 10 H3O+ + 8 e- = NH4+ + 13 H2O
-     log_k           119.077
-     delta_h         -187.055 kcal
-     -gamma          2.5000    0.0000
+     log_k 119.077
+     delta_h -187.055 kcal
+     -gamma 2.5 0
 
 NH4+ + SO4-2 = NH4SO4-
-     log_k           1.11
+     log_k 1.11
 
 PO4-3 + H3O+ = HPO4-2 + H2O
-        log_k           12.346
-        delta_h -3.530  kcal
-        -gamma    4.0000    0.0000
+        log_k 12.346
+        delta_h -3.53 kcal
+        -gamma 4 0
 
-PO4-3 + 2 H3O+ = H2PO4- + 2H2O
-        log_k           19.553
-        delta_h -4.520  kcal
-        -gamma    4.5000    0.0000
+PO4-3 + 2 H3O+ = H2PO4- + 2 H2O
+        log_k 19.553
+        delta_h -4.52 kcal
+        -gamma 4.5 0
 
 H3O+ + F- = HF + H2O
-        log_k           3.18
-        delta_h 3.18    kcal
-        -analytic       -2.033         0.012645      429.01
+        log_k 3.18
+        delta_h 3.18 kcal
+        -analytic -2.033 0.012645 429.01
 
 H3O+ + 2 F- = HF2- + H2O
-        log_k           3.760
-        delta_h 4.550   kcal
+        log_k 3.76
+        delta_h 4.55 kcal
 
 Ca+2 + OH- = CaOH+
-     log_k           -12.780
+     log_k -12.78
 
 Ca+2 + CO3-2 = CaCO3
-     log_k           3.224
-     delta_h         3.545 kcal
-     -analytic       -1228.732     -0.299440    35512.75      485.818
+     log_k 3.224
+     delta_h 3.545 kcal
+     -analytic -1228.732 -0.29944 35512.75 485.818
 
 #Ca+2 + HCO3- = CaHCO3+
 Ca+2 + CO3-2 + H3O+ = CaHCO3+ + H2O
-     log_k           11.435
-     delta_h         -0.871 kcal
-     -analytic       1317.0071     0.34546894   -39916.84     -517.70761     563713.9
-     -gamma          5.4000    0.0000
+     log_k 11.435
+     delta_h -0.871 kcal
+     -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
+     -gamma 5.4 0
 
 Ca+2 + SO4-2 = CaSO4
-     log_k           2.300
-     delta_h         1.650 kcal
+     log_k 2.3
+     delta_h 1.65 kcal
 
 Ca+2 + HSO4- = CaHSO4+
-     log_k           1.08
+     log_k 1.08
 
 Ca+2 + PO4-3 = CaPO4-
-     log_k           6.459
-     delta_h         3.100 kcal
+     log_k 6.459
+     delta_h 3.1 kcal
 
 Ca+2 + HPO4-2 = CaHPO4
-     log_k           2.739
-     delta_h         3.3 kcal
+     log_k 2.739
+     delta_h 3.3 kcal
 
 Ca+2 + H2PO4- = CaH2PO4+
-     log_k           1.408
-     delta_h         3.4 kcal
+     log_k 1.408
+     delta_h 3.4 kcal
 
 Ca+2 + F- = CaF+
-        log_k           0.940
-        delta_h 4.120   kcal
+        log_k 0.94
+        delta_h 4.12 kcal
 
 Mg+2 + OH- = MgOH+
-     log_k           -11.440
-     delta_h         15.952 kcal
+     log_k -11.44
+     delta_h 15.952 kcal
 
 Mg+2 + CO3-2 = MgCO3
-     log_k           2.98
-     delta_h         2.713 kcal
-     -analytic       0.9910        0.00667
+     log_k 2.98
+     delta_h 2.713 kcal
+     -analytic 0.991 0.00667
 
 Mg+2 + H3O+ + CO3-2 = MgHCO3+ + H2O
-     log_k           11.399
-     delta_h         -2.771 kcal
-     -analytic       48.6721       0.03252849   -2614.335     -18.00263      563713.9
+     log_k 11.399
+     delta_h -2.771 kcal
+     -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
 
 Mg+2 + SO4-2 = MgSO4
-     log_k           2.370
-     delta_h         4.550 kcal
+     log_k 2.37
+     delta_h 4.55 kcal
 
 Mg+2 + PO4-3 = MgPO4-
-        log_k           6.589
-        delta_h 3.100   kcal
+        log_k 6.589
+        delta_h 3.1 kcal
 
 Mg+2 + HPO4-2 = MgHPO4
-        log_k           2.87
+        log_k 2.87
         delta_h 3.3 kcal
 
 Mg+2 + H2PO4- = MgH2PO4+
-        log_k           1.513
+        log_k 1.513
         delta_h 3.4 kcal
 
 Mg+2 + F- = MgF+
-        log_k           1.820
-        delta_h 3.200   kcal
+        log_k 1.82
+        delta_h 3.2 kcal
 
 Na+ + OH- = NaOH
-     log_k           -14.180
+     log_k -14.18
 
 Na+ + CO3-2 = NaCO3-
-     log_k           1.270
-     delta_h         8.910 kcal
+     log_k 1.27
+     delta_h 8.91 kcal
 
 Na+ + HCO3- = NaHCO3
-     log_k           -0.25
+     log_k -0.25
 
 Na+ + SO4-2 = NaSO4-
-     log_k           0.700
-     delta_h         1.120 kcal
+     log_k 0.7
+     delta_h 1.12 kcal
 
 Na+ + HPO4-2 = NaHPO4-
-        log_k           0.29
+        log_k 0.29
 
 Na+ + F- = NaF
-        log_k           -0.240
+        log_k -0.24
 
 K+ + OH- = KOH
-     log_k           -14.460
+     log_k -14.46
 
 K+ + SO4-2 = KSO4-
-     log_k           0.850
-     delta_h         2.250 kcal
-     -analytic       3.106  0.0   -673.6
+     log_k 0.85
+     delta_h 2.25 kcal
+     -analytic 3.106 0 -673.6
 
 K+ + HPO4-2 = KHPO4-
-        log_k           0.29
+        log_k 0.29
 
-Fe+2 + 2H2O = FeOH+ + H3O+
-     log_k           -9.500
-     delta_h         13.200 kcal
+Fe+2 + 2 H2O = FeOH+ + H3O+
+     log_k -9.5
+     delta_h 13.2 kcal
 
 Fe+2 + Cl- = FeCl+
-     log_k           0.140
+     log_k 0.14
 
 Fe+2 + CO3-2 = FeCO3
-     log_k           4.380
+     log_k 4.38
 
 Fe+2 + HCO3- = FeHCO3+
-     log_k           2.0
+     log_k 2
 
 Fe+2 + SO4-2 = FeSO4
-     log_k           2.250
-     delta_h         3.230 kcal
+     log_k 2.25
+     delta_h 3.23 kcal
 
 Fe+2 + HSO4- = FeHSO4+
-     log_k           1.08
+     log_k 1.08
 
-Fe+2 + 2HS- = Fe(HS)2
-     log_k           8.95
+Fe+2 + 2 HS- = Fe(HS)2
+     log_k 8.95
 
-Fe+2 + 3HS- = Fe(HS)3-
-     log_k           10.987
+Fe+2 + 3 HS- = Fe(HS)3-
+     log_k 10.987
 
 Fe+2 + HPO4-2 = FeHPO4
-        log_k           3.6
+        log_k 3.6
 
 Fe+2 + H2PO4- = FeH2PO4+
-        log_k           2.7
+        log_k 2.7
 
 Fe+2 + F- = FeF+
-        log_k           1.000
+        log_k 1
 
 Fe+2 = Fe+3 + e-
-        log_k           -13.020
-        delta_h 9.680   kcal
-        -gamma    9.0000    0.0000
+        log_k -13.02
+        delta_h 9.68 kcal
+        -gamma 9 0
 
-Fe+3 + 2H2O = FeOH+2 + H3O+
-        log_k           -2.19
-        delta_h 10.4    kcal
+Fe+3 + 2 H2O = FeOH+2 + H3O+
+        log_k -2.19
+        delta_h 10.4 kcal
 
-Fe+3 + 4H2O = Fe(OH)2+ + 2 H3O+
-        log_k           -5.67
-        delta_h 17.1    kcal
+Fe+3 + 4 H2O = Fe(OH)2+ + 2 H3O+
+        log_k -5.67
+        delta_h 17.1 kcal
 
 Fe+3 + 6 H2O = Fe(OH)3 + 3 H3O+
-        log_k           -12.56
-        delta_h 24.8    kcal
+        log_k -12.56
+        delta_h 24.8 kcal
 
 Fe+3 + 8 H2O = Fe(OH)4- + 4 H3O+
-        log_k           -21.6
-        delta_h 31.9    kcal
+        log_k -21.6
+        delta_h 31.9 kcal
 
 2 Fe+3 + 4 H2O = Fe2(OH)2+4 + 2 H3O+
-        log_k           -2.95
-        delta_h 13.5    kcal
+        log_k -2.95
+        delta_h 13.5 kcal
 
 3 Fe+3 + 8 H2O = Fe3(OH)4+5 + 4 H3O+
-        log_k           -6.3
-        delta_h 14.3    kcal
+        log_k -6.3
+        delta_h 14.3 kcal
 
 Fe+3 + Cl- = FeCl+2
-        log_k           1.48
-        delta_h 5.6     kcal
+        log_k 1.48
+        delta_h 5.6 kcal
 
 Fe+3 + 2 Cl- = FeCl2+
-        log_k           2.13
+        log_k 2.13
 
 Fe+3 + 3 Cl- = FeCl3
-        log_k           1.13
+        log_k 1.13
 
 Fe+3 + SO4-2 = FeSO4+
-        log_k           4.04
-        delta_h 3.91    kcal
+        log_k 4.04
+        delta_h 3.91 kcal
 
 Fe+3 + HSO4- = FeHSO4+2
-        log_k           2.48
+        log_k 2.48
 
 Fe+3 + 2 SO4-2 = Fe(SO4)2-
-        log_k           5.38
-        delta_h 4.60            kcal
+        log_k 5.38
+        delta_h 4.6 kcal
 
 Fe+3 + HPO4-2 = FeHPO4+
-        log_k           5.43
-        delta_h 5.76            kcal
+        log_k 5.43
+        delta_h 5.76 kcal
 
 Fe+3 + H2PO4- = FeH2PO4+2
-        log_k           5.43
+        log_k 5.43
 
 Fe+3 + F- = FeF+2
-        log_k           6.2
-        delta_h 2.7             kcal
+        log_k 6.2
+        delta_h 2.7 kcal
 
 Fe+3 + 2 F- = FeF2+
-        log_k           10.8
-        delta_h 4.8             kcal
+        log_k 10.8
+        delta_h 4.8 kcal
 
 Fe+3 + 3 F- = FeF3
-        log_k           14.0
-        delta_h 5.4             kcal
+        log_k 14
+        delta_h 5.4 kcal
 
-Al+3 + 2H2O = AlOH+2 + H3O+
-        log_k           -5.00
-        delta_h 11.49   kcal
-        -analytic       -38.253        0.0          -656.27        14.327
+Al+3 + 2 H2O = AlOH+2 + H3O+
+        log_k -5
+        delta_h 11.49 kcal
+        -analytic -38.253 0 -656.27 14.327
 
 Al+3 + 4 H2O = Al(OH)2+ + 2 H3O+
-        log_k           -10.1
-        delta_h 26.90           kcal
-        -analytic       88.500        0.0          -9391.6       -27.121
+        log_k -10.1
+        delta_h 26.9 kcal
+        -analytic 88.5 0 -9391.6 -27.121
 
 Al+3 + 6 H2O = Al(OH)3 + 3 H3O+
-        log_k           -16.9
-        delta_h 39.89           kcal
-        -analytic       226.374       0.0          -18247.8      -73.597
+        log_k -16.9
+        delta_h 39.89 kcal
+        -analytic 226.374 0 -18247.8 -73.597
 
 Al+3 + 8 H2O = Al(OH)4- + 4 H3O+
-        log_k           -22.7
-        delta_h 42.30           kcal
-        -analytic       51.578        0.0          -11168.9      -14.865
+        log_k -22.7
+        delta_h 42.3 kcal
+        -analytic 51.578 0 -11168.9 -14.865
 
 Al+3 + SO4-2 = AlSO4+
-        log_k           3.5
+        log_k 3.5
         delta_h 2.29 kcal
 
-Al+3 + 2SO4-2 = Al(SO4)2-
-        log_k           5.0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+        log_k 5
         delta_h 3.11 kcal
 
 Al+3 + HSO4- = AlHSO4+2
-        log_k           0.46
+        log_k 0.46
 
 Al+3 + F- = AlF+2
-        log_k           7.000
-        delta_h 1.060   kcal
+        log_k 7
+        delta_h 1.06 kcal
 
 Al+3 + 2 F- = AlF2+
-        log_k           12.700
-        delta_h 1.980   kcal
+        log_k 12.7
+        delta_h 1.98 kcal
 
 Al+3 + 3 F- = AlF3
-        log_k           16.800
-        delta_h 2.160   kcal
+        log_k 16.8
+        delta_h 2.16 kcal
 
 Al+3 + 4 F- = AlF4-
-        log_k           19.400
-        delta_h 2.200   kcal
+        log_k 19.4
+        delta_h 2.2 kcal
 
 Al+3 + 5 F- = AlF5-2
-        log_k           20.600
-        delta_h 1.840   kcal
+        log_k 20.6
+        delta_h 1.84 kcal
 
 Al+3 + 6 F- = AlF6-3
-        log_k           20.600
-        delta_h -1.670  kcal
+        log_k 20.6
+        delta_h -1.67 kcal
 
 H4SiO4 + H2O = H3SiO4- + H3O+
-        log_k           -9.83
-        delta_h 6.12            kcal
-        -analytic       -302.3724     -0.050698      15669.69      108.18466    -1119669.0
+        log_k -9.83
+        delta_h 6.12 kcal
+        -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669
 
-H4SiO4 + 2H2O= H2SiO4-2 + 2 H3O+
-        log_k           -23.0
-        delta_h 17.6            kcal
-        -analytic       -294.0184     -0.072650      11204.49      108.18466    -1119669.0
+H4SiO4 + 2 H2O = H2SiO4-2 + 2 H3O+
+        log_k -23
+        delta_h 17.6 kcal
+        -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669
 
 H4SiO4 + 4 H3O+ + 6 F- = SiF6-2 + 8 H2O
-        log_k           30.180
-        delta_h -16.260         kcal
+        log_k 30.18
+        delta_h -16.26 kcal
 PHASES
 Calcite
      CaCO3 = CO3-2 + Ca+2
-     log_k           -8.480
-     delta_h         -2.297 kcal
-     -analytic       -171.9065     -0.077993      2839.319      71.595
+     log_k -8.48
+     delta_h -2.297 kcal
+     -analytic -171.9065 -0.077993 2839.319 71.595
 
 Dolomite
         CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
-        log_k           -17.090
+        log_k -17.09
         delta_h -9.436 kcal
 
 Siderite
         FeCO3 = Fe+2 + CO3-2
-        log_k           -10.890
-        delta_h -2.480 kcal
+        log_k -10.89
+        delta_h -2.48 kcal
 
 Gypsum
      CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
-     log_k           -4.580
-     delta_h         -0.109 kcal
-     -analytic       68.2401       0.0          -3221.51      -25.0627
+     log_k -4.58
+     delta_h -0.109 kcal
+     -analytic 68.2401 0 -3221.51 -25.0627
 
 Anhydrite
      CaSO4 = Ca+2 + SO4-2
-     log_k           -4.360
-     delta_h         -1.710 kcal
-     -analytic       197.52        0.0          -8669.8       -69.835
+     log_k -4.36
+     delta_h -1.71 kcal
+     -analytic 197.52 0 -8669.8 -69.835
 
 Hydroxyapatite
-        Ca5(PO4)3OH + 4 H3O+ = 5H2O + 3 HPO4-2 + 5 Ca+2
-        log_k           -3.421
+        Ca5(PO4)3OH + 4 H3O+ = 5 H2O + 3 HPO4-2 + 5 Ca+2
+        log_k -3.421
         delta_h -36.155 kcal
 
 Fluorite
         CaF2 = Ca+2 + 2 F-
-        log_k           -10.600
-        delta_h 4.690 kcal
-        -analytic       66.348        0.0          -4298.2       -25.271
+        log_k -10.6
+        delta_h 4.69 kcal
+        -analytic 66.348 0 -4298.2 -25.271
 
 SiO2(a)
         SiO2 + 2 H2O = H4SiO4
-        log_k           -2.710
-        delta_h 3.340 kcal
-        -analytic       -0.26          0.0          -731.0
+        log_k -2.71
+        delta_h 3.34 kcal
+        -analytic -0.26 0 -731
 
 Chalcedony
         SiO2 + 2 H2O = H4SiO4
-        log_k           -3.550
-        delta_h 4.720 kcal
-        -analytic       -0.09          0.0          -1032.0
+        log_k -3.55
+        delta_h 4.72 kcal
+        -analytic -0.09 0 -1032
 
 Quartz
         SiO2 + 2 H2O = H4SiO4
-        log_k           -3.980
-        delta_h 5.990 kcal
-        -analytic       0.41          0.0          -1309.0
+        log_k -3.98
+        delta_h 5.99 kcal
+        -analytic 0.41 0 -1309
 
 Gibbsite
         Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O
-        log_k           8.110
-        delta_h -22.800 kcal
+        log_k 8.11
+        delta_h -22.8 kcal
 
 Al(OH)3(a)
         Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O
-        log_k           10.800
-        delta_h -26.500 kcal
+        log_k 10.8
+        delta_h -26.5 kcal
 
 Kaolinite
-        Al2Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 2 Al+3
-        log_k           7.435
-        delta_h -35.300 kcal
+        Al2Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 2 Al+3
+        log_k 7.435
+        delta_h -35.3 kcal
 
 Albite
         NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
-        log_k           -18.002
+        log_k -18.002
         delta_h 25.896 kcal
 
 Anorthite
         CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
-        log_k           -19.714
-        delta_h 11.580 kcal
+        log_k -19.714
+        delta_h 11.58 kcal
 
 K-feldspar
         KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
-        log_k           -20.573
-        delta_h 30.820  kcal
+        log_k -20.573
+        delta_h 30.82 kcal
 
 K-mica
-        KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10H2O
-        log_k           12.703
+        KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10 H2O
+        log_k 12.703
         delta_h -59.376 kcal
 
 Chlorite(14A)
-        Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 22H2O
-        log_k           68.38
+        Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 22 H2O
+        log_k 68.38
         delta_h -151.494 kcal
 
 Ca-Montmorillonite
-        Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+
-        log_k           -45.027
-        delta_h 58.373  kcal
+        Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+
+        log_k -45.027
+        delta_h 58.373 kcal
 
 Talc
-        Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6H2O
-        log_k           21.399
+        Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6 H2O
+        log_k 21.399
         delta_h -46.352 kcal
 
 Illite
-        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H3O+
-        log_k           -40.267
+        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H3O+
+        log_k -40.267
         delta_h 54.684 kcal
 
 Chrysotile
-        Mg3Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 3 Mg+2
-        log_k           32.200
-        delta_h -46.800 kcal
-        -analytic       13.248        0.0          10217.1       -6.1894
+        Mg3Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 3 Mg+2
+        log_k 32.2
+        delta_h -46.8 kcal
+        -analytic 13.248 0 10217.1 -6.1894
 
 Sepiolite
-        Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O
-        log_k           15.760
-        delta_h -10.700 kcal
+        Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O
+        log_k 15.76
+        delta_h -10.7 kcal
 
 Sepiolite(d)
-        Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O
-        log_k           18.660
+        Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O
+        log_k 18.66
 
 Hematite
         Fe2O3 + 6 H3O+ = 2 Fe+3 + 9 H2O
-        log_k           -4.008
+        log_k -4.008
         delta_h -30.845 kcal
 
 Goethite
         FeOOH + 3 H3O+ = Fe+3 + 5 H2O
-        log_k           -1.000
-        delta_h         -14.48 kcal
+        log_k -1
+        delta_h -14.48 kcal
 
 Fe(OH)3(a)
         Fe(OH)3 + 3 H3O+ = Fe+3 + 6 H2O
-        log_k           4.891
+        log_k 4.891
 
 Pyrite
-     FeS2 + 2H3O+ + 2e- = Fe+2 + 2HS- + 2H2O
-     log_k           -18.479
-     delta_h         11.300 kcal
+     FeS2 + 2 H3O+ + 2 e- = Fe+2 + 2 HS- + 2 H2O
+     log_k -18.479
+     delta_h 11.3 kcal
 
 FeS(ppt)
         FeS + H3O+ = Fe+2 + HS- + H2O
-        log_k           -3.915
+        log_k -3.915
 
 Mackinawite
         FeS + H3O+ = Fe+2 + HS- + H2O
-        log_k           -4.648
+        log_k -4.648
 
 Sulfur
-        S + 2 H3O+ + 2e- = H2S + 2H2O
-        log_k           4.882
+        S + 2 H3O+ + 2 e- = H2S + 2 H2O
+        log_k 4.882
         delta_h -9.5 kcal
 
 Vivianite
         Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
-        log_k           -36.000
+        log_k -36
 
 Halite
-        NaCl = Na+ + Cl- 
-        log_k           1.582
+        NaCl = Na+ + Cl-
+        log_k 1.582
         delta_h 0.918 kcal
 
 CO2(g)
      CO2(g) = CO2
-     log_k           -1.468
-     delta_h         -4.776 kcal
-     -analytic       108.3865      0.01985076   -6919.53      -40.45154      669365.0
+     log_k -1.468
+     delta_h -4.776 kcal
+     -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365
 
 O2(g)
      O2 = O2
 #	log_k	   -2.960
 #	delta_h -1.844  kcal
 	 # log K from llnl.dat  Dec 8, 2010
-	log_k	   -2.8983
-	-analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005     
+	log_k -2.8983
+	-analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
 
 H2(g)
      H2 = H2
-     log_k           -3.150
-     delta_h         -1.759 kcal
+     log_k -3.15
+     delta_h -1.759 kcal
 
 H2O(g)
      H2O = H2O
-     log_k           1.51
-     delta_h         -44.03 kJ
+     log_k 1.51
+     delta_h -44.03 kJ
 
 N2(g)
      N2 = N2
-     log_k           -3.260
-     delta_h         -1.358 kcal
+     log_k -3.26
+     delta_h -1.358 kcal
 
 H2S(g)
      H2S = H2S
-     log_k           -0.997
-     delta_h         -4.570 kcal
+     log_k -0.997
+     delta_h -4.57 kcal
 
 CH4(g)
      CH4 = CH4
-     log_k           -2.860
-     delta_h         -3.373 kcal
+     log_k -2.86
+     delta_h -3.373 kcal
 
 NH3(g)
      NH3 = NH3
-     log_k           1.770
-     delta_h         -8.170 kcal
+     log_k 1.77
+     delta_h -8.17 kcal
 
 Melanterite
         FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
-        log_k           -2.209
-        delta_h 4.910           kcal
-        -analytic       1.447        -0.004153      0.0           0.0          -214949.0
+        log_k -2.209
+        delta_h 4.91 kcal
+        -analytic 1.447 -0.004153 0 0 -214949
 
 Alunite
-        KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12H2O
-        log_k           -1.400
-        delta_h -50.250 kcal
+        KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12 H2O
+        log_k -1.4
+        delta_h -50.25 kcal
 
 Jarosite-K
         KFe3(SO4)2(OH)6 + 6 H3O+ = 3 Fe+3 + 12 H2O + K+ + 2 SO4-2
-        log_k           -9.210
-        delta_h -31.280 kcal
+        log_k -9.21
+        delta_h -31.28 kcal
 
 EXCHANGE_MASTER_SPECIES
-        X       X-
+        X X-
 EXCHANGE_SPECIES
         X- = X-
-        log_k           0.0
+        log_k 0
 
         Na+ + X- = NaX
-        log_k   0.0
-        -gamma  4.0     0.075
+        log_k 0
+        -gamma 4 0.075
 
         K+ + X- = KX
-        log_k   0.7
-        -gamma  3.5     0.015
-        delta_h  -4.3   # Jardine & Sparks, 1984
+        log_k 0.7
+        -gamma 3.5 0.015
+        delta_h -4.3 # Jardine & Sparks, 1984
 
         NH4+ + X- = NH4X
-        log_k   0.6
-        -gamma  2.5     0.0
-        delta_h  -2.4   # Laudelout et al., 1968
+        log_k 0.6
+        -gamma 2.5 0
+        delta_h -2.4 # Laudelout et al., 1968
 
-        Ca+2 + 2X- = CaX2
-        log_k   0.8
-        -gamma  5.0     0.165
-        delta_h  7.2    # Van Bladel & Gheyl, 1980
+        Ca+2 + 2 X- = CaX2
+        log_k 0.8
+        -gamma 5 0.165
+        delta_h 7.2 # Van Bladel & Gheyl, 1980
 
-        Mg+2 + 2X- = MgX2
-        log_k   0.6
-        -gamma  5.5     0.2
-        delta_h  7.4    # Laudelout et al., 1968
+        Mg+2 + 2 X- = MgX2
+        log_k 0.6
+        -gamma 5.5 0.2
+        delta_h 7.4 # Laudelout et al., 1968
 
-        Fe+2 + 2X- = FeX2
-        log_k   0.44
-        -gamma  6.0     0.0
+        Fe+2 + 2 X- = FeX2
+        log_k 0.44
+        -gamma 6 0
 
-        Al+3 + 3X- = AlX3
-        log_k   0.41
-        -gamma  9.0     0.0
+        Al+3 + 3 X- = AlX3
+        log_k 0.41
+        -gamma 9 0
 
-        AlOH+2 + 2X- = AlOHX2
-        log_k   0.89
-        -gamma  0.0     0.0
+        AlOH+2 + 2 X- = AlOHX2
+        log_k 0.89
+        -gamma 0 0
 
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 
 SURFACE_SPECIES
 #   All surface data from
@@ -743,24 +747,24 @@ SURFACE_SPECIES
 #   strong binding site--Hfo_s,
 
         Hfo_sOH = Hfo_sOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_sOH  + H3O+ = Hfo_sOH2+ + H2O
-        log_k  7.29    # = pKa1,int
+        Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O
+        log_k 7.29 # = pKa1,int
 
         Hfo_sOH + H2O = Hfo_sO- + H3O+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 #   weak binding site--Hfo_w
 
         Hfo_wOH = Hfo_wOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_wOH  + H3O+ = Hfo_wOH2+ + H2O
-        log_k  7.29    # = pKa1,int
+        Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O
+        log_k 7.29 # = pKa1,int
 
         Hfo_wOH + H2O = Hfo_wO- + H3O+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 ###############################################
 #             CATIONS                         #
@@ -770,7 +774,7 @@ SURFACE_SPECIES
 #
 #   Calcium
         Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k  4.97
+        log_k 4.97
 
         Hfo_wOH + Ca+2 + H2O = Hfo_wOCa+ + H3O+
         log_k -5.85
@@ -789,12 +793,12 @@ SURFACE_SPECIES
 
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
          Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+
-         log_k   -0.95
+         log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
          Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+
          log_k -2.98
 
-         Hfo_wOH + Fe+2 + 3H2O = Hfo_wOFeOH + 2H3O+
+         Hfo_wOH + Fe+2 + 3 H2O = Hfo_wOFeOH + 2 H3O+
          log_k -11.55
 
 ###############################################
@@ -804,38 +808,38 @@ SURFACE_SPECIES
 #   Anions from table 10.6
 #
 #   Phosphate
-        Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4H2O
-        log_k   31.29
+        Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4 H2O
+        log_k 31.29
 
-        Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3H2O
-        log_k   25.39
+        Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3 H2O
+        log_k 25.39
 
-        Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2H2O
-        log_k   17.72
+        Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2 H2O
+        log_k 17.72
 #
 #   Anions from table 10.7
 #
 #   Sulfate
-        Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2H2O
-        log_k   7.78
+        Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2 H2O
+        log_k 7.78
 
         Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
+        log_k 0.79
 #
 #   Derived constants table 10.10
 #
-        Hfo_wOH + F- + H3O+ = Hfo_wF + 2H2O
-        log_k   8.7
+        Hfo_wOH + F- + H3O+ = Hfo_wF + 2 H2O
+        log_k 8.7
 
         Hfo_wOH + F- = Hfo_wOHF-
-        log_k   1.6
+        log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for HFO
 # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
 #
 #        Hfo_wOH + CO3-2 + H3O+ = Hfo_wCO3- + 2H2O
 #        log_k   12.56
-# 
+#
 #        Hfo_wOH + CO3-2 + 2 H3O+= Hfo_wHCO3 + 3 H2O
 #        log_k   20.62
 
@@ -850,641 +854,641 @@ SURFACE_SPECIES
 ###############################################################################################
 SOLUTION_MASTER_SPECIES
 ###############################################################################################
-D            D2O            0       D               2
-D(1)         D2O            0       D  
-D(0)         HD             0       D  
-T            HTO            0       T               3
-T(1)         HTO            0       T
-T(0)         HT             0       T
-[18O]        H2[18O]        0       [18O]           18
-[18O](-2)    H2[18O]        0       [18O]           18
-[18O](0)     O[18O]         0       [18O]           18
-[13C]        [13C]O2        0       [13C]           13
-[13C](4)     [13C]O2        0       [13C]      
-[13C](-4)    [13C]H4        0       [13C]
-[14C]        [14C]O2        0       [14C]           14
-[14C](4)     [14C]O2        0       [14C]     
-[14C](-4)    [14C]H4        0       [14C]     
-[34S]        [34S]O4-2      0       [34S]           33.967
-[34S](6)     [34S]O4-2      0       [34S]
-[34S](-2)    H[34S]-        0       [34S]
-[15N]        [15N]O3-       0       [15N]           15.00010897312
-[15N](5)     [15N]O3-       0       [15N]
-[15N](3)     [15N]O2-       0       [15N]
-[15N](0)     N[15N]         0       [15N]
-[15N](-3)    [15N]H4+       0       [15N]
+D D2O 0 D 2
+D(1) D2O 0 D
+D(0) HD 0 D
+T HTO 0 T 3
+T(1) HTO 0 T
+T(0) HT 0 T
+[18O] H2[18O] 0 [18O] 18
+[18O](-2) H2[18O] 0 [18O] 18
+[18O](0) O[18O] 0 [18O] 18
+[13C] [13C]O2 0 [13C] 13
+[13C](4) [13C]O2 0 [13C]
+[13C](-4) [13C]H4 0 [13C]
+[14C] [14C]O2 0 [14C] 14
+[14C](4) [14C]O2 0 [14C]
+[14C](-4) [14C]H4 0 [14C]
+[34S] [34S]O4-2 0 [34S] 33.967
+[34S](6) [34S]O4-2 0 [34S]
+[34S](-2) H[34S]- 0 [34S]
+[15N] [15N]O3- 0 [15N] 15.00010897312
+[15N](5) [15N]O3- 0 [15N]
+[15N](3) [15N]O2- 0 [15N]
+[15N](0) N[15N] 0 [15N]
+[15N](-3) [15N]H4+ 0 [15N]
 ###############################################################################################
 ISOTOPES
 ###############################################################################################
 H
-     -isotope        D       permil  155.76e-6               # VSMOW (Clark and Fritz, 1997)
-     -isotope        T       TU      1e-18                   # Solomon and Cook, in eds, Cook and Herczeg, 2000
+     -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997)
+     -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000
 H(0)
-     -isotope        D(0)    permil  155.76e-6               # VSMOW (Clark and Fritz, 1997)
-     -isotope        T(0)    TU      1e-18                   # Solomon and Cook, in eds, Cook and Herczeg, 2000
+     -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997)
+     -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000
                                                              # 1 THO in 10^18 H2O
 #     -isotope        T       pCi/L   3.125e-18               #
 #1e-18/3.2 = T/mol H2O
-C       
-     -isotope        [13C]   permil  0.0111802               # VPDB, Vienna Pee Dee Belemnite
+C
+     -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
                                                              # Chang and Li, 1990, Chinese Science Bulletin
-     -isotope        [13C](4)        permil  0.0111802       # VPDB, Vienna Pee Dee Belemnite
+     -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
                                                              # Chang and Li, 1990, Chinese Science Bulletin
-     -isotope        [13C](-4)       permil  0.0111802       # VPDB, Vienna Pee Dee Belemnite
-     -isotope        [14C]           pmc     1.175887709e-12 # Mole fraction of 14C in Modern Carbon
-     -isotope        [14C](4)        pmc     1.175887709e-12 # Mole fraction of 14C in Modern Carbon
+     -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
+     -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
+     -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
                                                              # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
-     -isotope        [14C](-4)       pmc     1.175887709e-12 # Mole fraction of 14C in Modern Carbon
-C(4)    
-     -isotope        [13C](4)        permil  0.0111802       # VPDB, Vienna Pee Dee Belemnite
+     -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
+C(4)
+     -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
                                                              # Chang and Li, 1990, Chinese Science Bulletin
-     -isotope        [14C](4)        pmc     1.175887709e-12 # Mole fraction of 14C in Modern Carbon
+     -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
                                                              # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
                                                              # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000)
-C(-4)    
-     -isotope        [13C](-4)       permil  0.0111802       # VPDB, Vienna Pee Dee Belemnite
-     -isotope        [14C](-4)       pmc     1.175887709e-12 # Mole fraction of 14C in Modern Carbon
+C(-4)
+     -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite
+     -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon
      # 14C calculation
      #
      # lambda = ln(2)/(5730 yrs * 3.15576e7 sec/yr)
-     # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 
+     # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23
      # mole C/g C NBS Oxalic Acid with 13C = -19.3:  0.08325783313
      # mole 14C/mol Modern Carbon mol/g carbon/ (mole C/g C) = 1.175887709e-12
      #
 O
-     -isotope        [18O]           permil  2005.2e-6       # VSMOW (Clark and Fritz, 1997)
-     -isotope        [18O](0)        permil  2005.2e-6       # VSMOW (Clark and Fritz, 1997)
+     -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
+     -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
 O(0)
-     -isotope        [18O](0)        permil  2005.2e-6       # VSMOW (Clark and Fritz, 1997)
+     -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997)
 
 S
                                                               # Coplen and others, 2002
-     -isotope        [34S]           permil  0.04416264       # VCDT, Vienna Canyon Diablo Troilite
-     -isotope        [34S](6)        permil  0.04416264       # VCDT
-     -isotope        [34S](-2)       permil  0.04416264       # VCDT
+     -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite
+     -isotope [34S](6) permil 0.04416264 # VCDT
+     -isotope [34S](-2) permil 0.04416264 # VCDT
 S(6)
-     -isotope        [34S](6)        permil  0.04416264       # VCDT
+     -isotope [34S](6) permil 0.04416264 # VCDT
 S(-2)
-     -isotope        [34S](-2)       permil  0.04416264       # VCDT
+     -isotope [34S](-2) permil 0.04416264 # VCDT
 N
                                                               # Coplen and others, 2002
-     -isotope        [15N]           permil  0.003676867      # Air
-     -isotope        [15N](5)        permil  0.003676867      # Air
-     -isotope        [15N](3)        permil  0.003676867      # Air
-     -isotope        [15N](0)        permil  0.003676867      # Air
-     -isotope        [15N](-3)       permil  0.003676867      # Air
+     -isotope [15N] permil 0.003676867 # Air
+     -isotope [15N](5) permil 0.003676867 # Air
+     -isotope [15N](3) permil 0.003676867 # Air
+     -isotope [15N](0) permil 0.003676867 # Air
+     -isotope [15N](-3) permil 0.003676867 # Air
 N(5)
-     -isotope        [15N](5)        permil  0.003676867      # Air
+     -isotope [15N](5) permil 0.003676867 # Air
 N(3)
-     -isotope        [15N](3)        permil  0.003676867      # Air
+     -isotope [15N](3) permil 0.003676867 # Air
 N(0)
-     -isotope        [15N](0)        permil  0.003676867      # Air
+     -isotope [15N](0) permil 0.003676867 # Air
 N(-3)
-     -isotope        [15N](-3)       permil  0.003676867      # Air
+     -isotope [15N](-3) permil 0.003676867 # Air
 ###############################################################################################
 ISOTOPE_RATIOS
 ###############################################################################################
 #
 #  Total aqueous ratios
 #
-        R(D)                    D
-        R(T)                    T
-        R(18O)                  [18O]
-        R(13C)                  [13C]
-        R(14C)                  [14C]
-        R(15N)                  [15N]
-        R(34S)                  [34S]
+        R(D) D
+        R(T) T
+        R(18O) [18O]
+        R(13C) [13C]
+        R(14C) [14C]
+        R(15N) [15N]
+        R(34S) [34S]
 # H2O(l) ratios
-        R(D)_H2O(l)             D
-        R(T)_H2O(l)             T
-        R(18O)_H2O(l)           [18O]
+        R(D)_H2O(l) D
+        R(T)_H2O(l) T
+        R(18O)_H2O(l) [18O]
 # OH- ratios
-        R(D)_OH-                D
-        R(T)_OH-                T
-        R(18O)_OH-              [18O]
+        R(D)_OH- D
+        R(T)_OH- T
+        R(18O)_OH- [18O]
 # H3O+ ratios
-        R(D)_H3O+               D
-        R(T)_H3O+               T
-        R(18O)_H3O+             [18O]
+        R(D)_H3O+ D
+        R(T)_H3O+ T
+        R(18O)_H3O+ [18O]
 # O2(aq) ratios
-        R(18O)_O2(aq)           [18O]
+        R(18O)_O2(aq) [18O]
 # H2(aq) ratios
-        R(D)_H2(aq)             D
-        R(T)_H2(aq)             T
+        R(D)_H2(aq) D
+        R(T)_H2(aq) T
 # CO2(aq) ratios
-        R(13C)_CO2(aq)          [13C]
-        R(14C)_CO2(aq)          [14C]
-        R(18O)_CO2(aq)          [18O]
+        R(13C)_CO2(aq) [13C]
+        R(14C)_CO2(aq) [14C]
+        R(18O)_CO2(aq) [18O]
 # HCO3- ratios
-        R(D)_HCO3-              D
-        R(T)_HCO3-              T
-        R(18O)_HCO3-            [18O]
-        R(13C)_HCO3-            [13C]
-        R(14C)_HCO3-            [14C]
+        R(D)_HCO3- D
+        R(T)_HCO3- T
+        R(18O)_HCO3- [18O]
+        R(13C)_HCO3- [13C]
+        R(14C)_HCO3- [14C]
 # CO3-2 ratios
-        R(18O)_CO3-2            [18O]
-        R(13C)_CO3-2            [13C]
-        R(14C)_CO3-2            [14C]
+        R(18O)_CO3-2 [18O]
+        R(13C)_CO3-2 [13C]
+        R(14C)_CO3-2 [14C]
 # CH4(aq) ratios
-        R(D)_CH4(aq)            D
-        R(T)_CH4(aq)            T
-        R(13C)_CH4(aq)          [13C]
-        R(14C)_CH4(aq)          [14C]
+        R(D)_CH4(aq) D
+        R(T)_CH4(aq) T
+        R(13C)_CH4(aq) [13C]
+        R(14C)_CH4(aq) [14C]
 # SO4-2 ratios
-        R(34S)_SO4-2            [34S]
+        R(34S)_SO4-2 [34S]
 # HSO4- ratios
-        R(D)_HSO4-              D
-        R(T)_HSO4-              T
-        R(34S)_HSO4-            [34S]
+        R(D)_HSO4- D
+        R(T)_HSO4- T
+        R(34S)_HSO4- [34S]
 # S-2 ratios
-        R(34S)_S-2              [34S]
+        R(34S)_S-2 [34S]
 # HS- ratios
-        R(D)_HS-                D
-        R(T)_HS-                T
-        R(34S)_HS-              [34S]
+        R(D)_HS- D
+        R(T)_HS- T
+        R(34S)_HS- [34S]
 # H2S ratios
-        R(D)_H2S(aq)            D
-        R(T)_H2S(aq)            T
-        R(34S)_H2S(aq)          [34S]
+        R(D)_H2S(aq) D
+        R(T)_H2S(aq) T
+        R(34S)_H2S(aq) [34S]
 # NO3- ratios
-        R(15N)_NO3-             [15N]
+        R(15N)_NO3- [15N]
 # NO2- ratios
-        R(15N)_NO2-             [15N]
+        R(15N)_NO2- [15N]
 # N2(aq) ratios
-        R(15N)_N2(aq)           [15N]
+        R(15N)_N2(aq) [15N]
 # NH3(aq) ratios
-        R(D)_NH3(aq)            D
-        R(T)_NH3(aq)            T
-        R(15N)_NH3(aq)          [15N]
+        R(D)_NH3(aq) D
+        R(T)_NH3(aq) T
+        R(15N)_NH3(aq) [15N]
 # NH4+ ratios
-        R(D)_NH4+               D
-        R(T)_NH4+               T
-        R(15N)_NH4+             [15N]
+        R(D)_NH4+ D
+        R(T)_NH4+ T
+        R(15N)_NH4+ [15N]
 #
 #  Ratios for minerals and gases
 #
 # H2O(g) ratios
-        R(D)_H2O(g)             D
-        R(T)_H2O(g)             T
-        R(18O)_H2O(g)           [18O]
+        R(D)_H2O(g) D
+        R(T)_H2O(g) T
+        R(18O)_H2O(g) [18O]
 # O2(g) ratios
-        R(18O)_O2(g)            [18O]
+        R(18O)_O2(g) [18O]
 # H2(g) ratios
-        R(D)_H2(g)              D
-        R(T)_H2(g)              T
+        R(D)_H2(g) D
+        R(T)_H2(g) T
 # CO2(g) ratios
-        R(18O)_CO2(g)           [18O]
-        R(13C)_CO2(g)           [13C]
-        R(14C)_CO2(g)           [14C]
+        R(18O)_CO2(g) [18O]
+        R(13C)_CO2(g) [13C]
+        R(14C)_CO2(g) [14C]
 # Calcite ratios
-        R(18O)_Calcite          [18O]
-        R(13C)_Calcite          [13C]
-        R(14C)_Calcite          [14C]
+        R(18O)_Calcite [18O]
+        R(13C)_Calcite [13C]
+        R(14C)_Calcite [14C]
 # Pyrite ratios
-        R(34S)_Pyrite           [34S]
+        R(34S)_Pyrite [34S]
 # CH4(g) ratios
-        R(D)_CH4(g)             D
-        R(T)_CH4(g)             T
-        R(13C)_CH4(g)           [13C]
-        R(14C)_CH4(g)           [14C]
+        R(D)_CH4(g) D
+        R(T)_CH4(g) T
+        R(13C)_CH4(g) [13C]
+        R(14C)_CH4(g) [14C]
 # H2S(g) ratios
-        R(D)_H2S(g)             D
-        R(T)_H2S(g)             T
-        R(34S)_H2S(g)           [34S]
+        R(D)_H2S(g) D
+        R(T)_H2S(g) T
+        R(34S)_H2S(g) [34S]
 # Gypsum ratios
-        R(34S)_Gypsum           [34S]
+        R(34S)_Gypsum [34S]
 # Anhydrite ratios
-        R(34S)_Anhydrite        [34S]
+        R(34S)_Anhydrite [34S]
 # N2(g) ratios
-        R(15N)_N2(g)            [15N]
+        R(15N)_N2(g) [15N]
 # NH3(g) ratios
-        R(D)_NH3(g)             D
-        R(T)_NH3(g)             T
-        R(15N)_NH3(g)           [15N]
+        R(D)_NH3(g) D
+        R(T)_NH3(g) T
+        R(15N)_NH3(g) [15N]
 
 ISOTOPE_ALPHAS
 # OH-
-        Alpha_D_OH-/H2O(l)                      Log_alpha_D_OH-/H2O(l)
-        Alpha_T_OH-/H2O(l)                      Log_alpha_T_OH-/H2O(l)
-        Alpha_18O_OH-/H2O(l)                    Log_alpha_18O_OH-/H2O(l)
+        Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l)
+        Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l)
+        Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l)
 # H3O+
-        Alpha_D_H3O+/H2O(l)                     Log_alpha_D_H3O+/H2O(l)
-        Alpha_T_H3O+/H2O(l)                     Log_alpha_T_H3O+/H2O(l)
-        Alpha_18O_H3O+/H2O(l)                   Log_alpha_18O_H3O+/H2O(l)
+        Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l)
+        Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l)
+        Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l)
 # O2(aq)
-        Alpha_18O_O2(aq)/H2O(l)                 Log_alpha_18O_O2(aq)/H2O(l)
+        Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l)
 # H2(aq)
-        Alpha_D_H2(aq)/H2O(l)                   Log_alpha_D_H2(aq)/H2O(l)
-        Alpha_T_H2(aq)/H2O(l)                   Log_alpha_T_H2(aq)/H2O(l)
+        Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l)
+        Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l)
 # CO2(aq)
-        Alpha_18O_CO2(aq)/H2O(l)                Log_alpha_18O_CO2(aq)/H2O(l)
-        Alpha_13C_CO2(aq)/CO2(g)                Log_alpha_13C_CO2(aq)/CO2(g)
-        Alpha_14C_CO2(aq)/CO2(g)                Log_alpha_14C_CO2(aq)/CO2(g)
+        Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l)
+        Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g)
+        Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g)
 # HCO3-
-        Alpha_D_HCO3-/H2O(l)                    Log_alpha_D_HCO3-/H2O(l)
-        Alpha_T_HCO3-/H2O(l)                    Log_alpha_T_HCO3-/H2O(l)
-        Alpha_18O_HCO3-/H2O(l)                  Log_alpha_18O_HCO3-/H2O(l)
-        Alpha_13C_HCO3-/CO2(aq)                 Log_alpha_13C_HCO3-/CO2(aq)
-        Alpha_14C_HCO3-/CO2(aq)                 Log_alpha_14C_HCO3-/CO2(aq)
-        Alpha_13C_HCO3-/CO2(g)                  Log_alpha_13C_HCO3-/CO2(g)
-        Alpha_14C_HCO3-/CO2(g)                  Log_alpha_14C_HCO3-/CO2(g)
+        Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l)
+        Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l)
+        Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l)
+        Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq)
+        Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq)
+        Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g)
+        Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g)
 # CO3-2
-        Alpha_18O_CO3-2/H2O(l)                  Log_alpha_18O_CO3-2/H2O(l)
-        Alpha_13C_CO3-2/CO2(aq)                 Log_alpha_13C_CO3-2/CO2(aq)
-        Alpha_14C_CO3-2/CO2(aq)                 Log_alpha_14C_CO3-2/CO2(aq)
-        Alpha_13C_CO3-2/CO2(g)                  Log_alpha_13C_CO3-2/CO2(g)
-        Alpha_14C_CO3-2/CO2(g)                  Log_alpha_14C_CO3-2/CO2(g)
+        Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l)
+        Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq)
+        Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq)
+        Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g)
+        Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g)
 # CH4(aq)
-        Alpha_D_CH4(aq)/H2O(l)                  Log_alpha_D_CH4(aq)/H2O(l)
-        Alpha_T_CH4(aq)/H2O(l)                  Log_alpha_T_CH4(aq)/H2O(l)
-        Alpha_13C_CH4(aq)/CO2(aq)               Log_alpha_13C_CH4(aq)/CO2(aq)
-        Alpha_14C_CH4(aq)/CO2(aq)               Log_alpha_14C_CH4(aq)/CO2(aq)
+        Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l)
+        Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l)
+        Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq)
+        Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq)
 # HSO4-
-        Alpha_D_HSO4-/H2O(l)                    Log_alpha_D_HSO4-/H2O(l)
-        Alpha_T_HSO4-/H2O(l)                    Log_alpha_T_HSO4-/H2O(l)
-        Alpha_34S_HSO4-/SO4-2                   Log_alpha_34S_HSO4-/SO4-2
+        Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l)
+        Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l)
+        Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2
 # S-2
-        Alpha_34S_S-2/HS-                       Log_alpha_34S_S-2/HS-
+        Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS-
 # HS-
-        Alpha_D_HS-/H2O(l)                      Log_alpha_D_HS-/H2O(l)
-        Alpha_T_HS-/H2O(l)                      Log_alpha_T_HS-/H2O(l)
-        Alpha_34S_HS-/SO4-2                     Log_alpha_34S_HS-/SO4-2
+        Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l)
+        Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l)
+        Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2
 # H2S
-        Alpha_D_H2S(aq)/H2O(l)                  Log_alpha_D_H2S(aq)/H2O(l)
-        Alpha_T_H2S(aq)/H2O(l)                  Log_alpha_T_H2S(aq)/H2O(l)
-        Alpha_34S_H2S(aq)/HS-                   Log_alpha_34S_H2S(aq)/HS-
+        Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l)
+        Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l)
+        Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS-
 # NO2-
-        Alpha_15N_NO2-/NO3-                     Log_alpha_15N_NO2-/NO3- 
+        Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3-
 # N2(aq)
-        Alpha_15N_N2(aq)/NO3-                   Log_alpha_15N_N2(aq)/NO3-
+        Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3-
 # NH3(aq)
-	Alpha_D_NH3(aq)/H2O(l)                  Log_alpha_D_NH3(aq)/H2O(l)
-	Alpha_T_NH3(aq)/H2O(l)                  Log_alpha_T_NH3(aq)/H2O(l)
-        Alpha_15N_NH3(aq)/NO3-                  Log_alpha_15N_NH3(aq)/NO3-
+	Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l)
+	Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l)
+        Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3-
 # NH4+
-        Alpha_D_NH4+/H2O(l)                     Log_alpha_D_NH4+/H2O(l)
-        Alpha_T_NH4+/H2O(l)                     Log_alpha_T_NH4+/H2O(l)
-        Alpha_15N_NH4+/NH3(aq)                  Log_alpha_15N_NH4+/NH3(aq)
+        Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l)
+        Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l)
+        Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq)
 # H2O(g)
-        Alpha_D_H2O(g)/H2O(l)                   Log_alpha_D_H2O(g)/H2O(l)
-        Alpha_T_H2O(g)/H2O(l)                   Log_alpha_T_H2O(g)/H2O(l)
-        Alpha_18O_H2O(g)/H2O(l)                 Log_alpha_18O_H2O(g)/H2O(l)
+        Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l)
+        Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l)
+        Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l)
 # O2(g)
-        Alpha_18O_O2(g)/H2O(l)                  Log_alpha_18O_O2(g)/H2O(l) #?
+        Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #?
 # H2(g)
-        Alpha_D_H2(g)/H2O(l)                    Log_alpha_D_H2(g)/H2O(l)   #?
-        Alpha_T_H2(g)/H2O(l)                    Log_alpha_T_H2(g)/H2O(l)   #?
+        Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #?
+        Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #?
 # CO2(g)
-        Alpha_18O_CO2(g)/H2O(l)                 Log_alpha_18O_CO2(g)/H2O(l)
-        Alpha_13C_CO2(g)/CO2(aq)                Log_alpha_13C_CO2(g)/CO2(aq)
-        Alpha_14C_CO2(g)/CO2(aq)                Log_alpha_14C_CO2(g)/CO2(aq)
+        Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l)
+        Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq)
+        Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq)
 # Calcite
-        Alpha_18O_Calcite/H2O(l)                Log_alpha_18O_Calcite/H2O(l)
-        Alpha_13C_Calcite/CO2(aq)               Log_alpha_13C_Calcite/CO2(aq)
-        Alpha_13C_Calcite/CO2(g)                Log_alpha_13C_Calcite/CO2(g)
-        Alpha_14C_Calcite/CO2(aq)               Log_alpha_14C_Calcite/CO2(aq)
-        Alpha_14C_Calcite/CO2(g)                Log_alpha_14C_Calcite/CO2(g)
+        Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l)
+        Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq)
+        Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g)
+        Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq)
+        Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g)
 # Pyrite
-        Alpha_34S_Pyrite/HS-                    Log_alpha_34S_Pyrite/HS-
+        Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS-
 # CH4(g)
-        Alpha_D_CH4(g)/H2O(l)                   Log_alpha_D_CH4(g)/H2O(l)
-        Alpha_T_CH4(g)/H2O(l)                   Log_alpha_T_CH4(g)/H2O(l)
-        Alpha_13C_CH4(g)/CO2(aq)                Log_alpha_13C_CH4(g)/CO2(aq) #?
-        Alpha_14C_CH4(g)/CO2(aq)                Log_alpha_14C_CH4(g)/CO2(aq) #?
+        Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l)
+        Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l)
+        Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #?
+        Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #?
 # H2S(g)
-        Alpha_D_H2S(g)/H2S(aq)                  Log_alpha_D_H2S(g)/H2S(aq)
-        Alpha_T_H2S(g)/H2S(aq)                  Log_alpha_T_H2S(g)/H2S(aq)
-        Alpha_34S_H2S(g)/H2S(aq)                Log_alpha_34S_H2S(g)/H2S(aq)
+        Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq)
+        Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq)
+        Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq)
 # Gypsum
-        Alpha_34S_Gypsum/SO4-2                  Log_alpha_34S_Gypsum/SO4-2
+        Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2
 # Anhydrite
-        Alpha_34S_Anhydrite/SO4-2               Log_alpha_34S_Anhydrite/SO4-2
+        Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2
 # N2(g)
-        Alpha_15N_N2(g)/N2(aq)                  Log_alpha_15N_N2(g)/N2(aq)
+        Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq)
 # NH3(g)
-        Alpha_D_NH3(g)/H2O(l)                   Log_alpha_D_NH3(g)/H2O(l)
+        Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l)
         #Alpha_T_NH3(g)/H2O(l)                  Log_alpha_T_NH3(g)/H2O(l)
-        Alpha_15N_NH3(g)/NH3(aq)                Log_alpha_15N_NH3(g)/NH3(aq)
+        Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq)
 
 NAMED_EXPRESSIONS
 #
 # OH- fractionation factors
 #
-Log_alpha_D_OH-/H2O(l)                  # 1000ln(alpha(25C)) = -1435
+Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435
      # 13.5 C
-     -ln_alpha1000   -1435.0     
+     -ln_alpha1000 -1435
 
-Log_alpha_T_OH-/H2O(l)                  # 1000ln(alpha(25C)) = -2870
+Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870
      # 13.5 C
-     -ln_alpha1000   -2870.0
+     -ln_alpha1000 -2870
 
-Log_alpha_18O_OH-/H2O(l)                # 1000ln(alpha(25C)) = -37.8
+Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8
      # 25 C
-     -ln_alpha1000   -37.777
+     -ln_alpha1000 -37.777
 #
 # H3O- fractionation factors
 #
-Log_alpha_D_H3O+/H2O(l)                 # 1000ln(alpha(25C)) = 40.8
+Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8
      # 13.5 C
-     -ln_alpha1000   40.82
-     
-Log_alpha_T_H3O+/H2O(l)                 # 1000ln(alpha(25C)) = 81.6
+     -ln_alpha1000 40.82
+
+Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6
      # 13.5 C
-     -ln_alpha1000   81.64
-     
-Log_alpha_18O_H3O+/H2O(l)               # 1000ln(alpha(25C)) = 22.9
+     -ln_alpha1000 81.64
+
+Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9
      # 25 C
-     -ln_alpha1000   22.86   
+     -ln_alpha1000 22.86
 #
 # O2(aq) fractionation factors
 #
 Log_alpha_18O_O2(aq)/H2O(l)
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # H2(aq) fractionation factors
 #
 Log_alpha_D_H2(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_H2(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # CO2(aq) fractionation factors
 #
-Log_alpha_18O_CO2(aq)/H2O(l)            # 1000ln(alpha(25C)) = 41.2
+Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2
      # 0-100 C
-     -ln_alpha1000   -21.9285        0.0     19.43596e3      0.0     -0.181115e6
+     -ln_alpha1000 -21.9285 0 19.43596e3 0 -0.181115e6
 
-Log_alpha_13C_CO2(aq)/CO2(g)             # 1000ln(alpha(25C))  -0.84
+Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84
      # Deines and others (1974)
-     -ln_alpha1000   -0.91           0.0     0.0             0.0     .0063e6
+     -ln_alpha1000 -0.91 0 0 0 .0063e6
 
-Log_alpha_14C_CO2(aq)/CO2(g)             # 1000ln(alpha(25C))  -0.84
-     -add_logk       Log_alpha_13C_CO2(aq)/CO2(g)            2
+Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84
+     -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2
 #
 # HCO3- fractionation factors
 #
-Log_alpha_18O_HCO3-/H2O(l) 
-     -ln_alpha1000   0.0 #?
+Log_alpha_18O_HCO3-/H2O(l)
+     -ln_alpha1000 0 #?
 
 Log_alpha_D_HCO3-/H2O(l)
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 
-Log_alpha_T_HCO3-/H2O(l)                    
-     -ln_alpha1000   0.0
+Log_alpha_T_HCO3-/H2O(l)
+     -ln_alpha1000 0
 
-Log_alpha_13C_HCO3-/CO2(g)              # 1000ln(alpha(25C)) = 7.82
+Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82
      # Deines and others (1974)
-     -ln_alpha1000   -4.54   0.0     0.0     0.0     1.099e6
+     -ln_alpha1000 -4.54 0 0 0 1.099e6
 
-Log_alpha_13C_HCO3-/CO2(aq)             # 1000ln(alpha(25C)) = 8.7
+Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7
      # 0-100 C
 #     -ln_alpha1000   -3.63   0.0     0.0     0.0     1.0927e6
-      -add_logk       Log_alpha_13C_HCO3-/CO2(g)      1
-      -add_logk       Log_alpha_13C_CO2(aq)/CO2(g)   -1
+      -add_logk Log_alpha_13C_HCO3-/CO2(g) 1
+      -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
 
-Log_alpha_14C_HCO3-/CO2(g)              # 1000ln(alpha(25C)) = 7.82
+Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82
      # Deines and others (1974)
-     -add_logk        Log_alpha_13C_HCO3-/CO2(g)      2
+     -add_logk Log_alpha_13C_HCO3-/CO2(g) 2
 
-Log_alpha_14C_HCO3-/CO2(aq)             # 1000ln(alpha(25C)) = 17.3
+Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3
      # 0-100 C
 #     -ln_alpha1000   -7.26   0.0     0.0     0.0     2.1854e6
-      -add_logk       Log_alpha_14C_HCO3-/CO2(g)      1
-      -add_logk       Log_alpha_14C_CO2(aq)/CO2(g)   -1
+      -add_logk Log_alpha_14C_HCO3-/CO2(g) 1
+      -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
 #
 # CO3-2 fractionation factors
 #
 Log_alpha_18O_CO3-2/H2O(l)
-     -ln_alpha1000   0.0
-     
-Log_alpha_13C_CO3-2/CO2(g)             # 1000ln(alpha(25C)) 
-     # Deines and others (1974)
-     -ln_alpha1000   -3.4    0.0     0.0     0.0     0.870e6
+     -ln_alpha1000 0
 
-Log_alpha_13C_CO3-2/CO2(aq)             # 1000ln(alpha(25C)) 
+Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C))
+     # Deines and others (1974)
+     -ln_alpha1000 -3.4 0 0 0 0.87e6
+
+Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C))
      # 0-100 C
 #     -ln_alpha1000   -2.49   0.0     0.0     0.0     0.8637e6
-      -add_logk       Log_alpha_13C_CO3-2/CO2(g)      1
-      -add_logk       Log_alpha_13C_CO2(aq)/CO2(g)   -1
+      -add_logk Log_alpha_13C_CO3-2/CO2(g) 1
+      -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
 
-Log_alpha_14C_CO3-2/CO2(g)             # 1000ln(alpha(25C)) 
+Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C))
      # Deines and others (1974)
-     -add_logk        Log_alpha_13C_CO3-2/CO2(g)      2
+     -add_logk Log_alpha_13C_CO3-2/CO2(g) 2
 
-Log_alpha_14C_CO3-2/CO2(aq)             # 1000ln(alpha(25C))
-     # 
+Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C))
+     #
 #     -ln_alpha1000   -2.49   0.0     0.0     0.0     0.8637e6
-      -add_logk       Log_alpha_14C_CO3-2/CO2(g)      1
-      -add_logk       Log_alpha_14C_CO2(aq)/CO2(g)   -1
+      -add_logk Log_alpha_14C_CO3-2/CO2(g) 1
+      -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
 #
 # CH4(aq) fractionation factors
 #
 Log_alpha_D_CH4(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_CH4(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_13C_CH4(aq)/CO2(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_14C_CH4(aq)/CO2(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
-# HSO4- fractionation factors     
+# HSO4- fractionation factors
 #
 Log_alpha_D_HSO4-/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_HSO4-/H2O(l)
-     -ln_alpha1000   0
-     
+     -ln_alpha1000 0
+
 Log_alpha_34S_HSO4-/SO4-2
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # S-2 fractionation factors
 #
 Log_alpha_34S_S-2/HS-
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # HS- fractionation factors
 #
 Log_alpha_D_HS-/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_HS-/H2O(l)
-     -ln_alpha1000   0
-     
+     -ln_alpha1000 0
+
 Log_alpha_34S_HS-/SO4-2
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # H2S fractionation factors
 #
 Log_alpha_D_H2S(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_H2S(aq)/H2O(l)
-     -ln_alpha1000   0
-     
+     -ln_alpha1000 0
+
 Log_alpha_34S_H2S(aq)/HS-
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # NO2- fractionation factors
 #
-Log_alpha_15N_NO2-/NO3- 
-     -ln_alpha1000   0.0
+Log_alpha_15N_NO2-/NO3-
+     -ln_alpha1000 0
 #
 # N2(aq) fractionation factors
-#     
+#
 Log_alpha_15N_N2(aq)/NO3-
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # NH3(aq) fractionation factors
-#     
+#
 Log_alpha_D_NH3(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_NH3(aq)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_15N_NH3(aq)/NO3-
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # NH4+ fractionation factors
-#     
+#
 Log_alpha_D_NH4+/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_NH4+/H2O(l)
-     -ln_alpha1000   0
-     
+     -ln_alpha1000 0
+
 Log_alpha_15N_NH4+/NH3(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # H2O(g) fractionation factors
 #
-Log_alpha_D_H2O(g)/H2O(l)               # 1000ln(alpha(25C)) = -76.4
+Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4
      # 0-100 C
-     -ln_alpha1000   -52.612  0.0     76.248e3       0.0     -24.844e6
+     -ln_alpha1000 -52.612 0 76.248e3 0 -24.844e6
 
-Log_alpha_T_H2O(g)/H2O(l)               # 1000ln(alpha(25C)) = -152.7
+Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7
      # 0-100 C
-     -ln_alpha1000   -105.224 0.0     152.496e3      0.0     -49.688e6
+     -ln_alpha1000 -105.224 0 152.496e3 0 -49.688e6
 
-Log_alpha_18O_H2O(g)/H2O(l)             # 1000ln(alpha(25C)) = -9.3
+Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3
      # 0-100 C
-     -ln_alpha1000   2.0667   0.0     0.4156e3       0.0     -1.137e6
+     -ln_alpha1000 2.0667 0 0.4156e3 0 -1.137e6
 #
 # O2(g) fractionaton factors
 #
-Log_alpha_18O_O2(g)/H2O(l)      
-     -ln_alpha1000   0.0
+Log_alpha_18O_O2(g)/H2O(l)
+     -ln_alpha1000 0
 #
 # H2(g) fractionaton factors
 #
 Log_alpha_D_H2(g)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_H2(g)/H2O(l)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # CO2(g) fractionaton factors
-#     
-Log_alpha_18O_CO2(g)/H2O(l)             # 1000ln(alpha(25C)) = 40.151
+#
+Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151
      # 0-100 C
-     -ln_alpha1000   -19.97  0.0     17.9942e3        0.0     -0.0206e6
+     -ln_alpha1000 -19.97 0 17.9942e3 0 -0.0206e6
      # Battinga, written commun. 1973, cited in Friedman and O'Neill
 
-Log_alpha_13C_CO2(g)/CO2(aq)            # 1000ln(alpha(25C)) = 0.84
+Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84
      # 0-100 C
-     -ln_alpha1000   0.91   0.0     0.0     0.0     -0.0063e6
+     -ln_alpha1000 0.91 0 0 0 -0.0063e6
 
-Log_alpha_14C_CO2(g)/CO2(aq)            # 1000ln(alpha(25C)) = 1.7
+Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7
      # 0-100 C
-     -ln_alpha1000   1.82   0.0     0.0     0.0     -0.0126e6
+     -ln_alpha1000 1.82 0 0 0 -0.0126e6
 #
 # CO2-Calcite fractionation factors
 #
 #Log_alpha_18O_CO2(aq)/Calcite           # 1000ln(alpha(25C)) = 13.6
 #     # 0-100 C
 #     -ln_alpha1000   -4.7383 0.0     12.05276e3      0.0     -1.963915e6
-Log_alpha_18O_Calcite/H2O(l)           # 1000ln(alpha(25C)) = 28.38
+Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38
      # O'Neil, Clayton and Mayeda (1969)
-     -ln_alpha1000    -2.89   0       0               0       2.78e6
-     
-Log_alpha_13C_Calcite/CO2(g)           # 1000ln(alpha(25C)) 
-     # Deines and others (1974)
-     -ln_alpha1000   -3.63    0.0     0.0     0.0     1.194e6
+     -ln_alpha1000 -2.89 0 0 0 2.78e6
 
-Log_alpha_13C_Calcite/CO2(aq)          # 1000ln(alpha(25C)) 
+Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C))
      # Deines and others (1974)
-     -add_logk       Log_alpha_13C_Calcite/CO2(g)     1
-     -add_logk       Log_alpha_13C_CO2(aq)/CO2(g)    -1     
+     -ln_alpha1000 -3.63 0 0 0 1.194e6
 
-Log_alpha_14C_Calcite/CO2(g)           # 1000ln(alpha(25C)) 
-     -add_logk       Log_alpha_13C_Calcite/CO2(g)     2
-
-Log_alpha_14C_Calcite/CO2(aq)          # 1000ln(alpha(25C)) 
+Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C))
      # Deines and others (1974)
-     -add_logk       Log_alpha_14C_Calcite/CO2(g)     1
-     -add_logk       Log_alpha_14C_CO2(aq)/CO2(g)    -1     
+     -add_logk Log_alpha_13C_Calcite/CO2(g) 1
+     -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1
+
+Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C))
+     -add_logk Log_alpha_13C_Calcite/CO2(g) 2
+
+Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C))
+     # Deines and others (1974)
+     -add_logk Log_alpha_14C_Calcite/CO2(g) 1
+     -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1
 #
 # Pyrite fractionation factors
-#     
+#
 Log_alpha_34S_Pyrite/HS-
-     -ln_alpha1000   0 
+     -ln_alpha1000 0
 #
 # CH4(g) fractionation factors
-#     
+#
 Log_alpha_D_CH4(g)/H2O(l) #?
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 
 Log_alpha_T_CH4(g)/H2O(l) #?
-     -ln_alpha1000   0.0
-     
+     -ln_alpha1000 0
+
 Log_alpha_13C_CH4(g)/CO2(aq) #?
-     -ln_alpha1000   0.0
-     
+     -ln_alpha1000 0
+
 Log_alpha_14C_CH4(g)/CO2(aq) #?
-     -ln_alpha1000   0.0
+     -ln_alpha1000 0
 #
 # H2S(g) fractionation factors
 #
 Log_alpha_D_H2S(g)/H2S(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_H2S(g)/H2S(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_34S_H2S(g)/H2S(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # Gypsum fractionation factors
 #
 Log_alpha_34S_Gypsum/SO4-2
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # Anhydrite fractionation factors
 #
 Log_alpha_34S_Anhydrite/SO4-2
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # N2(g) fractionation factors
 #
 Log_alpha_15N_N2(g)/N2(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 #
 # NH3(g) fractionation factors
 #
 Log_alpha_D_NH3(g)/H2O(l) #?
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_T_NH3(g)/H2O(l) #?
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 Log_alpha_15N_NH3(g)/NH3(aq)
-     -ln_alpha1000   0
+     -ln_alpha1000 0
 
 ###############################################################################################
 CALCULATE_VALUES
@@ -1502,7 +1506,7 @@ R(D)
 100 save ratio
      -end
 
-R(T)  ??
+R(T) ??
      -start
 10 ratio = -9999.999
 20 if (TOT("T") <= 0) THEN GOTO 100
@@ -2056,7 +2060,7 @@ R(D)_NH3(aq)
      -start
 10 ratio = -9999.999
 20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("{[15N],N}{H,D,T}3","D") 
+30 total_D = sum_species("{[15N],N}{H,D,T}3","D")
 40 total_H = sum_species("{[15N],N}{H,D,T}3","H")
 50 if (total_H <= 0) THEN GOTO 100
 60 ratio = total_D/total_H
@@ -2067,7 +2071,7 @@ R(T)_NH3(aq)
      -start
 10 ratio = -9999.999
 20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("{[15N],N}{H,D,T}3","T") 
+30 total_T = sum_species("{[15N],N}{H,D,T}3","T")
 40 total_H = sum_species("{[15N],N}{H,D,T}3","H")
 50 if (total_H <= 0) THEN GOTO 100
 60 ratio = total_T/total_H
@@ -2078,7 +2082,7 @@ R(15N)_NH3(aq)
      -start
 10 ratio = -9999.999
 20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") 
+30 total_15N = sum_species("[15N]{H,D,T}3","[15N]")
 40 total_N = sum_species("N{H,D,T}3","N")
 50 if (total_N <= 0) THEN GOTO 100
 60 ratio = total_15N/total_N
@@ -2091,7 +2095,7 @@ R(D)_NH4+
      -start
 10 ratio = -9999.999
 20 if (TOT("D") <= 0) THEN GOTO 100
-30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") 
+30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D")
 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H")
 50 if (total_H <= 0) THEN GOTO 100
 60 ratio = total_D/total_H
@@ -2102,7 +2106,7 @@ R(T)_NH4+
      -start
 10 ratio = -9999.999
 20 if (TOT("T") <= 0) THEN GOTO 100
-30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") 
+30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T")
 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H")
 50 if (total_H <= 0) THEN GOTO 100
 60 ratio = total_T/total_H
@@ -2113,7 +2117,7 @@ R(15N)_NH4+
      -start
 10 ratio = -9999.999
 20 if (TOT("[15N]") <= 0) THEN GOTO 100
-30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") 
+30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]")
 40 total_N = sum_species("*N{H,D,T}4*","N")
 50 if (total_N <= 0) THEN GOTO 100
 60 ratio = total_15N/total_N
@@ -3725,209 +3729,209 @@ SOLUTION_SPECIES
 ###############################################################################################
 D2O = D2O
      -activity_water
-     log_k           0
+     log_k 0
 
 HTO = HTO
      -activity_water
-     log_k           0
+     log_k 0
 
 H2[18O] = H2[18O]
      -activity_water
-     log_k           0
+     log_k 0
 
 CO2 = CO2
-     log_k           0
+     log_k 0
 
 [13C]O2 = [13C]O2
-     log_k           0
+     log_k 0
 
 [14C]O2 = [14C]O2
-     log_k           0
+     log_k 0
 
 [34S]O4-2 = [34S]O4-2
-     log_k           0.0
-     -gamma          5.0000   -0.0400
+     log_k 0
+     -gamma 5 -0.04
 
-[15N]O3- = [15N]O3- 
-     log_k           0.0
-     -gamma          3.0000    0.0000
+[15N]O3- = [15N]O3-
+     log_k 0
+     -gamma 3 0
 
 #
-# H2O reactions 
+# H2O reactions
 # last update July 31, 2006
 # checked September 19, 2006
 #
-0.5H2O + 0.5D2O = HDO
-     log_k           0.301029995663                          # log10(2)
+0.5 H2O + 0.5 D2O = HDO
+     log_k 0.301029995663 # log10(2)
      -activity_water
 
 HDO + HTO = DTO + H2O
-     -mole_balance   DTO
-     log_k           -0.301029995663                         # log10(1/2)
+     -mole_balance DTO
+     log_k -0.301029995663 # log10(1/2)
      -activity_water
 
-2HTO = T2O + H2O
-     -mole_balance   T2O
-     log_k           -0.6020599913279623960                  # log10(1/4)
+2 HTO = T2O + H2O
+     -mole_balance T2O
+     log_k -0.602059991327962396 # log10(1/4)
      -activity_water
 
 H2[18O] + HDO = HD[18O] + H2O
-     -mole_balance   HD[18O]
-     log_k           0.0
+     -mole_balance HD[18O]
+     log_k 0
      -activity_water
 
 H2[18O] + HTO = HT[18O] + H2O
-     -mole_balance   HT[18O]
-     log_k           0.0
+     -mole_balance HT[18O]
+     log_k 0
      -activity_water
-     
-DTO  + H2[18O] = DT[18O] + H2O
-     -mole_balance   DT[18O]
-     log_k           0.0
+
+DTO + H2[18O] = DT[18O] + H2O
+     -mole_balance DT[18O]
+     log_k 0
      -activity_water
-     
+
 D2O + H2[18O] = D2[18O] + H2O
-     -mole_balance   D2[18O] 
-     log_k           0.0
+     -mole_balance D2[18O]
+     log_k 0
      -activity_water
-     
+
 H2[18O] + T2O = T2[18O] + H2O
-     -mole_balance   T2[18O]
-     log_k           0.0
+     -mole_balance T2[18O]
+     log_k 0
      -activity_water
 #
-# OH- reactions 
+# OH- reactions
 # last update July 31, 2006
 # checked September 19, 2006
 #
 OH- + HDO = OD- + H2O
-     -mole_balance   OD
-     log_k           -0.301029995663                         # -log10(2)
-     -add_logk       Log_alpha_D_OH-/H2O(l)                  1.0
-     -gamma          3.5000    0.0000
-     
+     -mole_balance OD
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_D_OH-/H2O(l) 1
+     -gamma 3.5 0
+
 OH- + HTO = OT- + H2O
-     -mole_balance   OT
-     log_k           -0.301029995663                         # -log10(2)
-     -add_logk       Log_alpha_T_OH-/H2O(l)                  1.0
-     -gamma          3.5000    0.0000
-     
+     -mole_balance OT
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_T_OH-/H2O(l) 1
+     -gamma 3.5 0
+
 OH- + H2[18O] = [18O]H- + H2O
-     -mole_balance   [18O]H
-     -add_logk       Log_alpha_18O_OH-/H2O(l)                1.0
-     -gamma          3.5000    0.0000
-     
+     -mole_balance [18O]H
+     -add_logk Log_alpha_18O_OH-/H2O(l) 1
+     -gamma 3.5 0
+
 [18O]H- + OD- = [18O]D- + OH-
-     -mole_balance   [18O]D
-     log_k           0.0
-     -gamma          3.5000    0.0000
-     
+     -mole_balance [18O]D
+     log_k 0
+     -gamma 3.5 0
+
 [18O]H- + OT- = [18O]T- + OH-
-     -mole_balance   [18O]T
-     log_k           0.0
-     -gamma          3.5000    0.0000
+     -mole_balance [18O]T
+     log_k 0
+     -gamma 3.5 0
 #
 # H3O+ reactions
 # last update July 31, 2006
 # checked September 19, 2006
 #
 H3O+ + HDO = H2DO+ + H2O
-     -mole_balance   H2DO
-     log_k           0.176091259055                          # log10(1.5)
-     -add_logk       Log_alpha_D_H3O+/H2O(l)                 1.0
-     -gamma          9.0000    0.0000
-     
-2H2DO+ = HD2O+ + H3O+
-     -mole_balance   HD2O
-     log_k           -0.477121254719662                      # log10(1/3)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance H2DO
+     log_k 0.176091259055 # log10(1.5)
+     -add_logk Log_alpha_D_H3O+/H2O(l) 1
+     -gamma 9 0
+
+2 H2DO+ = HD2O+ + H3O+
+     -mole_balance HD2O
+     log_k -0.477121254719662 # log10(1/3)
+     -gamma 9 0
+
 H2DO+ + HD2O+ = D3O+ + H3O+
-     -mole_balance   D3O
-     log_k           -0.954242509439324                     # log10(1/9)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance D3O
+     log_k -0.954242509439324 # log10(1/9)
+     -gamma 9 0
+
 H3O+ + HTO = H2TO+ + H2O
-     -mole_balance   H2TO
-     log_k           0.176091259055                          # log10(1.5)
-     -add_logk       Log_alpha_T_H3O+/H2O(l)                 1.0
-     -gamma          9.0000    0.0000
-     
-2H2TO+ = HT2O+ + H3O+
-     -mole_balance   HT2O
-     log_k           -0.477121254719662                      # log10(1/3)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance H2TO
+     log_k 0.176091259055 # log10(1.5)
+     -add_logk Log_alpha_T_H3O+/H2O(l) 1
+     -gamma 9 0
+
+2 H2TO+ = HT2O+ + H3O+
+     -mole_balance HT2O
+     log_k -0.477121254719662 # log10(1/3)
+     -gamma 9 0
+
 H2TO+ + HT2O+ = T3O+ + H3O+
-     -mole_balance   T3O
-     log_k           -0.954242509439324                     # log10(1/9)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance T3O
+     log_k -0.954242509439324 # log10(1/9)
+     -gamma 9 0
+
 H2TO+ + H2DO+ = HDTO+ + H3O+
-     -mole_balance   HDTO
-     log_k           -0.477121254719662                      # log10(1/3)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance HDTO
+     log_k -0.477121254719662 # log10(1/3)
+     -gamma 9 0
+
 H2TO+ + HD2O+ = D2TO+ + H3O+
-     -mole_balance   D2TO
-     log_k           -0.477121254719662                      # log10(1/3)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance D2TO
+     log_k -0.477121254719662 # log10(1/3)
+     -gamma 9 0
+
 H2DO+ + HT2O+ = DT2O+ + H3O+
-     -mole_balance   DT2O
-     log_k           -0.477121254719662                      # log10(1/3)
-     -gamma          9.0000    0.0000
-     
+     -mole_balance DT2O
+     log_k -0.477121254719662 # log10(1/3)
+     -gamma 9 0
+
 H3O+ + H2[18O] = H3[18O]+ + H2O
-     -mole_balance   H3[18O]
-     -add_logk       Log_alpha_18O_H3O+/H2O(l)               1.0
-     -gamma          9.0000    0.0000
+     -mole_balance H3[18O]
+     -add_logk Log_alpha_18O_H3O+/H2O(l) 1
+     -gamma 9 0
 
 H3[18O]+ + H2DO+ = H2D[18O]+ + H3O+
-     -mole_balance   H2D[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance H2D[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + HD2O+ = HD2[18O]+ + H3O+
-     -mole_balance   HD2[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance HD2[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + D3O+ = D3[18O]+ + H3O+
-     -mole_balance   D3[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance D3[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + H2TO+ = H2T[18O]+ + H3O+
-     -mole_balance   H2T[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance H2T[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + HT2O+ = HT2[18O]+ + H3O+
-     -mole_balance   HT2[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance HT2[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + T3O+ = T3[18O]+ + H3O+
-     -mole_balance   T3[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance T3[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + HDTO+ = HDT[18O]+ + H3O+
-     -mole_balance   HDT[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance HDT[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + D2TO+ = D2T[18O]+ + H3O+
-     -mole_balance   D2T[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance D2T[18O]
+     log_k 0
+     -gamma 9 0
+
 H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+
-     -mole_balance   DT2[18O]
-     log_k           0.0
-     -gamma          9.0000    0.0000
-     
+     -mole_balance DT2[18O]
+     log_k 0
+     -gamma 9 0
+
 #
 # O2 reactions
 # last update July 31, 2006
@@ -3935,79 +3939,79 @@ H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+
 #
 
 O2 + H2[18O] = O[18O] + H2O
-     log_k           0.301029995663                          # log10(2)
-     -add_logk       Log_alpha_18O_O2(aq)/H2O(l)              1.0
-     -mole_balance   O(0)[18O](0)
-     
-2O[18O] = [18O]2 + O2
-     log_k           -0.602059991327962396                   # -log10(4)
-     -mole_balance   [18O](0)2
+     log_k 0.301029995663 # log10(2)
+     -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1
+     -mole_balance O(0)[18O](0)
+
+2 O[18O] = [18O]2 + O2
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance [18O](0)2
 #
 # H2 reactions
 # last update July 31, 2006
 # checked September 19, 2006
 #
 H2 + HDO = HD + H2O
-     -mole_balance   H(0)D(0)
-     -add_logk       Log_alpha_D_H2(aq)/H2O(l)                 1.0
-     
-2HD = D2 + H2
-     -mole_balance   D(0)2
-     log_k           -0.602059991327962396                   # -log10(4)
-     
+     -mole_balance H(0)D(0)
+     -add_logk Log_alpha_D_H2(aq)/H2O(l) 1
+
+2 HD = D2 + H2
+     -mole_balance D(0)2
+     log_k -0.602059991327962396 # -log10(4)
+
 H2 + HTO = HT + H2O
-     -mole_balance   H(0)T(0)
-     -add_logk       Log_alpha_T_H2(aq)/H2O(l)                 1.0
-     
-2HT = T2 + H2
-     -mole_balance   T(0)2
-     log_k           -0.602059991327962396                   # -log10(4)
-     
+     -mole_balance H(0)T(0)
+     -add_logk Log_alpha_T_H2(aq)/H2O(l) 1
+
+2 HT = T2 + H2
+     -mole_balance T(0)2
+     log_k -0.602059991327962396 # -log10(4)
+
 HT + HD = DT + H2
-     -mole_balance   D(0)T(0)
-     log_k           -0.301029995663                         # -log10(2)
+     -mole_balance D(0)T(0)
+     log_k -0.301029995663 # -log10(2)
 #
 # CO2 reactions
 # last update July 31, 2006
 # Checked September 19, 2006
 #
 CO2 + H2[18O] = CO[18O] + H2O
-     log_k           0.301029995663                          # log10(2)
-     -add_logk       Log_alpha_18O_CO2(aq)/H2O(l)            1.0
-     
-2CO[18O] = C[18O]2 + CO2
-     log_k           -0.6020599913279623960                  # log10(1/4)
-     
+     log_k 0.301029995663 # log10(2)
+     -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1
+
+2 CO[18O] = C[18O]2 + CO2
+     log_k -0.602059991327962396 # log10(1/4)
+
 [13C]O2 + CO[18O] = [13C]O[18O] + CO2
-     log_k           0
-     
+     log_k 0
+
 [13C]O2 + C[18O]2 = [13C][18O]2 + CO2
-     log_k           0
+     log_k 0
 
 [14C]O2 + CO[18O] = [14C]O[18O] + CO2
-     log_k           0
+     log_k 0
 
 [14C]O2 + C[18O]2 = [14C][18O]2 + CO2
-     log_k           0
+     log_k 0
 #
 # HCO3- reactions
 # last update July 31, 2006
 # Checked September 19, 2006
 #
 HCO3- + H2[18O] = HCO2[18O]- + H2O
-     -add_logk       Log_alpha_18O_HCO3-/H2O(l)                   1.0
-     
+     -add_logk Log_alpha_18O_HCO3-/H2O(l) 1
+
 HCO2[18O]- = HCO[18O]O-
-HCO2[18O]- = HC[18O]O2- 
-2HCO2[18O]- = HCO[18O]2- + HCO3-
-HCO[18O]2- = HC[18O]O[18O]- 
-HCO[18O]2- = HC[18O]2O- 
-3HCO2[18O]- = HC[18O]3- + 2HCO3-
+HCO2[18O]- = HC[18O]O2-
+2 HCO2[18O]- = HCO[18O]2- + HCO3-
+HCO[18O]2- = HC[18O]O[18O]-
+HCO[18O]2- = HC[18O]2O-
+3 HCO2[18O]- = HC[18O]3- + 2 HCO3-
 
 HDO + HCO3- = DCO3- + H2O
-     log_k           -0.301029995663                         # -log10(2)
-     -add_logk       Log_alpha_D_HCO3-/H2O(l)                   1.0
-     
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_D_HCO3-/H2O(l) 1
+
 DCO3- + HCO2[18O]- = DCO2[18O]- + HCO3-
 DCO3- + HCO[18O]O- = DCO[18O]O- + HCO3-
 DCO3- + HC[18O]O2- = DC[18O]O2- + HCO3-
@@ -4017,9 +4021,9 @@ DCO3- + HC[18O]2O- = DC[18O]2O- + HCO3-
 DCO3- + HC[18O]3- = DC[18O]3- + HCO3-
 
 HTO + HCO3- = TCO3- + H2O
-     log_k           -0.301029995663                         # -log10(2)
-     -add_logk       Log_alpha_T_HCO3-/H2O(l)                1.0
-     
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_T_HCO3-/H2O(l) 1
+
 TCO3- + HCO2[18O]- = TCO2[18O]- + HCO3-
 TCO3- + HCO[18O]O- = TCO[18O]O- + HCO3-
 TCO3- + HC[18O]O2- = TC[18O]O2- + HCO3-
@@ -4029,8 +4033,8 @@ TCO3- + HC[18O]2O- = TC[18O]2O- + HCO3-
 TCO3- + HC[18O]3- = TC[18O]3- + HCO3-
 
 HCO3- + [13C]O2 = H[13C]O3- + CO2
-     -add_logk       Log_alpha_13C_HCO3-/CO2(aq)             1.0
-     
+     -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1
+
 H[13C]O3- + HCO2[18O]- = H[13C]O2[18O]- + HCO3-
 H[13C]O3- + HCO[18O]O- = H[13C]O[18O]O- + HCO3-
 H[13C]O3- + HC[18O]O2- = H[13C][18O]O2- + HCO3-
@@ -4056,8 +4060,8 @@ H[13C]O3- + TC[18O]2O- = T[13C][18O]2O- + HCO3-
 H[13C]O3- + TC[18O]3- = T[13C][18O]3- + HCO3-
 
 HCO3- + [14C]O2 = H[14C]O3- + CO2
-     -add_logk       Log_alpha_14C_HCO3-/CO2(aq)             1.0
-     
+     -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1
+
 H[14C]O3- + HCO2[18O]- = H[14C]O2[18O]- + HCO3-
 H[14C]O3- + HCO[18O]O- = H[14C]O[18O]O- + HCO3-
 H[14C]O3- + HC[18O]O2- = H[14C][18O]O2- + HCO3-
@@ -4087,210 +4091,210 @@ H[14C]O3- + TC[18O]3- = T[14C][18O]3- + HCO3-
 # Checked September 19, 2006
 #
 CO3-2 + H2[18O] = CO2[18O]-2 + H2O
-     log_k           0.477121254719                          # log10(3)
-     -add_logk       Log_alpha_18O_CO3-2/H2O(l)              1.0
-     
-2CO2[18O]-2 = CO[18O]2-2 + CO3-2
-     log_k           -0.477121254719                         # -log10(3)
-     
+     log_k 0.477121254719 # log10(3)
+     -add_logk Log_alpha_18O_CO3-2/H2O(l) 1
+
+2 CO2[18O]-2 = CO[18O]2-2 + CO3-2
+     log_k -0.477121254719 # -log10(3)
+
 CO2[18O]-2 + CO[18O]2-2 = C[18O]3-2 + CO3-2
-     log_k           -0.954242509439324                     # log10(1/9)
-     
+     log_k -0.954242509439324 # log10(1/9)
+
 CO3-2 + [13C]O2 = [13C]O3-2 + CO2
-     -add_logk       Log_alpha_13C_CO3-2/CO2(aq)             1.0
-     
+     -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1
+
 [13C]O3-2 + CO2[18O]-2 = [13C]O2[18O]-2 + CO3-2
-     log_k           0.0
-     
+     log_k 0
+
 [13C]O3-2 + CO[18O]2-2 = [13C]O[18O]2-2 + CO3-2
-     log_k           0.0
-     
+     log_k 0
+
 [13C]O3-2 + C[18O]3-2 = [13C][18O]3-2 + CO3-2
-     log_k           0.0
-     
+     log_k 0
+
 CO3-2 + [14C]O2 = [14C]O3-2 + CO2
-     -add_logk       Log_alpha_14C_CO3-2/CO2(aq)             1.0
-     
+     -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1
+
 [14C]O3-2 + CO2[18O]-2 = [14C]O2[18O]-2 + CO3-2
-     log_k           0.0
-     
+     log_k 0
+
 [14C]O3-2 + CO[18O]2-2 = [14C]O[18O]2-2 + CO3-2
-     log_k           0.0
-     
+     log_k 0
+
 [14C]O3-2 + C[18O]3-2 = [14C][18O]3-2 + CO3-2
-     log_k           0.0
+     log_k 0
 #
 # CH4 reactions
 # Updated September 19, 2006
 # Checked September 19, 2006
 #
 CH4 + HDO = CH3D + H2O
-     log_k           0.301029995663981198                    # log10(2)
-     -add_logk       Log_alpha_D_CH4(aq)/H2O(l)                 1.0
-     
-2CH3D = CH2D2 + CH4
-     log_k           -0.42596873227228                    # log10(3/8)
-     
-3CH3D = CHD3 + 2CH4
-     log_k           -1.20411998265                          # log10(1/16)
-     
-4CH3D = CD4 + 3CH4
-     log_k           -2.408239965311                        # log10(1/256)
+     log_k 0.301029995663981198 # log10(2)
+     -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1
+
+2 CH3D = CH2D2 + CH4
+     log_k -0.42596873227228 # log10(3/8)
+
+3 CH3D = CHD3 + 2 CH4
+     log_k -1.20411998265 # log10(1/16)
+
+4 CH3D = CD4 + 3 CH4
+     log_k -2.408239965311 # log10(1/256)
 
 CH4 + HTO = CH3T + H2O
-     log_k           0.301029995663981198                    # log10(2)
-     -add_logk       Log_alpha_T_CH4(aq)/H2O(l)                 1.0
+     log_k 0.301029995663981198 # log10(2)
+     -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1
 
-2CH3T = CH2T2 + CH4
-     log_k           -0.42596873227228                    # log10(3/8)
+2 CH3T = CH2T2 + CH4
+     log_k -0.42596873227228 # log10(3/8)
 
-3CH3T = CHT3 + 2CH4
-     log_k           -1.20411998265                          # log10(1/16)
+3 CH3T = CHT3 + 2 CH4
+     log_k -1.20411998265 # log10(1/16)
 
-4CH3T = CT4 + 3CH4
-     log_k           -2.408239965311                        # log10(1/256)
+4 CH3T = CT4 + 3 CH4
+     log_k -2.408239965311 # log10(1/256)
 #
 #  Added mixed DT C methane species May 19, 2006
 #
 CH3T + CHD3 = CD3T + CH4
-     log_k           -0.602059991327962396                  # -log10(4)
+     log_k -0.602059991327962396 # -log10(4)
 
 CH2T2 + CH2D2 = CD2T2 + CH4
-     log_k           -0.7781512503836                     # -log10(6)
+     log_k -0.7781512503836 # -log10(6)
 
 CHT3 + CH3D = CDT3 + CH4
-     log_k           -0.602059991327962396                  # -log10(4)
+     log_k -0.602059991327962396 # -log10(4)
 
 [13C]O2 + CH4 = [13C]H4 + CO2
-     -add_logk       Log_alpha_13C_CH4(aq)/CO2(aq)           1.0
+     -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1
 
-[13C]H4 + CH3D = [13C]H3D  + CH4
+[13C]H4 + CH3D = [13C]H3D + CH4
 [13C]H4 + CH2D2 = [13C]H2D2 + CH4
-[13C]H4 + CHD3 = [13C]HD3  + CH4
-[13C]H4 + CD4 = [13C]D4   + CH4
-[13C]H4 + CH3T = [13C]H3T  + CH4
+[13C]H4 + CHD3 = [13C]HD3 + CH4
+[13C]H4 + CD4 = [13C]D4 + CH4
+[13C]H4 + CH3T = [13C]H3T + CH4
 [13C]H4 + CH2T2 = [13C]H2T2 + CH4
-[13C]H4 + CHT3 = [13C]HT3  + CH4
-[13C]H4 + CT4 = [13C]T4   + CH4
-[13C]H4 + CD3T = [13C]D3T  + CH4
+[13C]H4 + CHT3 = [13C]HT3 + CH4
+[13C]H4 + CT4 = [13C]T4 + CH4
+[13C]H4 + CD3T = [13C]D3T + CH4
 [13C]H4 + CD2T2 = [13C]D2T2 + CH4
-[13C]H4 + CDT3 = [13C]DT3  + CH4
+[13C]H4 + CDT3 = [13C]DT3 + CH4
 
 [14C]O2 + CH4 = [14C]H4 + CO2
-     -add_logk       Log_alpha_14C_CH4(aq)/CO2(aq)           1.0
+     -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1
 #
 #  Added mixed DT 14C methane species May 19, 2006
 #
-[14C]H4 + CH3D = [14C]H3D  + CH4
+[14C]H4 + CH3D = [14C]H3D + CH4
 [14C]H4 + CH2D2 = [14C]H2D2 + CH4
-[14C]H4 + CHD3 = [14C]HD3  + CH4
-[14C]H4 + CD4 = [14C]D4   + CH4
-[14C]H4 + CH3T = [14C]H3T  + CH4
+[14C]H4 + CHD3 = [14C]HD3 + CH4
+[14C]H4 + CD4 = [14C]D4 + CH4
+[14C]H4 + CH3T = [14C]H3T + CH4
 [14C]H4 + CH2T2 = [14C]H2T2 + CH4
-[14C]H4 + CHT3 = [14C]HT3  + CH4
-[14C]H4 + CT4 = [14C]T4   + CH4
-[14C]H4 + CD3T = [14C]D3T  + CH4
+[14C]H4 + CHT3 = [14C]HT3 + CH4
+[14C]H4 + CT4 = [14C]T4 + CH4
+[14C]H4 + CD3T = [14C]D3T + CH4
 [14C]H4 + CD2T2 = [14C]D2T2 + CH4
-[14C]H4 + CDT3 = [14C]DT3  + CH4
+[14C]H4 + CDT3 = [14C]DT3 + CH4
 #
 #  HSO4- reactions
 #  Updated September 28, 2006
 #  Checked September 28, 2006
 #
 HSO4- + HDO = DSO4- + H2O
-     log_k           -0.301029995663                  # -log10(2)
-     -add_logk       Log_alpha_D_HSO4-/H2O(l)           1.0
-     -mole_balance   DS(6)O4-
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_D_HSO4-/H2O(l) 1
+     -mole_balance DS(6)O4-
 
 HSO4- + HTO = TSO4- + H2O
-     log_k           -0.301029995663                  # -log10(2)
-     -add_logk       Log_alpha_T_HSO4-/H2O(l)           1.0
-     -mole_balance   TS(6)O4-
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_T_HSO4-/H2O(l) 1
+     -mole_balance TS(6)O4-
 
 [34S]O4-2 + HSO4- = H[34S]O4- + SO4-2
-     -add_logk       Log_alpha_34S_HSO4-/SO4-2       1.0
-     -mole_balance   H[34S](6)O4-
+     -add_logk Log_alpha_34S_HSO4-/SO4-2 1
+     -mole_balance H[34S](6)O4-
 
 H[34S]O4- + DSO4- = D[34S]O4- + HSO4-
-     -mole_balance   D[34S](6)O4
+     -mole_balance D[34S](6)O4
 
 H[34S]O4- + TSO4- = T[34S]O4- + HSO4-
-     -mole_balance   T[34S](6)O4-
+     -mole_balance T[34S](6)O4-
 #
 # S-2 reactions
 #
 S-2 + H[34S]- = [34S]-2 + HS-
-     -add_logk       Log_alpha_34S_S-2/HS-           1.0
-     -mole_balance   [34S](-2)
-     -gamma          5.0000    0.0000
+     -add_logk Log_alpha_34S_S-2/HS- 1
+     -mole_balance [34S](-2)
+     -gamma 5 0
 #
 #  HS- reactions
 #
 HS- + HDO = DS- + H2O
-     log_k           -0.301029995663                 # -log10(2)
-     -add_logk       Log_alpha_D_HS-/H2O(l)             1.0
-     -mole_balance   DS(-2)
-     -gamma          3.5000    0.0000
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_D_HS-/H2O(l) 1
+     -mole_balance DS(-2)
+     -gamma 3.5 0
 
 HS- + HTO = TS- + H2O
-     log_k           -0.301029995663                 # -log10(2)
-     -add_logk       Log_alpha_T_HS-/H2O(l)             1.0
-     -mole_balance   TS(-2)
-     -gamma          3.5000    0.0000
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_T_HS-/H2O(l) 1
+     -mole_balance TS(-2)
+     -gamma 3.5 0
 
 HS- + [34S]O4-2 = H[34S]- + SO4-2
-     -add_logk       Log_alpha_34S_HS-/SO4-2         1.0
-     -mole_balance   H[34S](-2)
-     -gamma          3.5000    0.0000
+     -add_logk Log_alpha_34S_HS-/SO4-2 1
+     -mole_balance H[34S](-2)
+     -gamma 3.5 0
 
 H[34S]- + DS- = D[34S]- + HS-
-     -gamma          3.5000    0.0000
-     -mole_balance   D[34S](-2)
+     -gamma 3.5 0
+     -mole_balance D[34S](-2)
 
 H[34S]- + TS- = T[34S]- + HS-
-     -gamma          3.5000    0.0000
-     -mole_balance   T[34S](-2)
+     -gamma 3.5 0
+     -mole_balance T[34S](-2)
 #
 # H2S reactions
 #
 H2S + HDO = HDS + H2O
-     -add_logk       Log_alpha_D_H2S(aq)/H2O(l)         1.0
-     -mole_balance   HDS(-2)
+     -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1
+     -mole_balance HDS(-2)
 
-2HDS = D2S + H2S
-     log_k           -0.602059991327962396           # -log10(4)
-     -mole_balance   D2S(-2)
+2 HDS = D2S + H2S
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance D2S(-2)
 
 H2S + HTO = HTS + H2O
-     -add_logk       Log_alpha_T_H2S(aq)/H2O(l)         1.0
-     -mole_balance   HTS(-2)
+     -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1
+     -mole_balance HTS(-2)
 
-2HTS = T2S + H2S
-     log_k           -0.602059991327962396           # -log10(4)
-     -mole_balance   T2S(-2)
+2 HTS = T2S + H2S
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance T2S(-2)
 
 HDS + HTS = DTS + H2S
-     log_k           -0.301029995663                         # log10(1/2)
-     -mole_balance   DTS(-2)
+     log_k -0.301029995663 # log10(1/2)
+     -mole_balance DTS(-2)
 
 H[34S]- + H2S = H2[34S] + HS-
-     -add_logk       Log_alpha_34S_H2S(aq)/HS-           1.0
-     -mole_balance   H2[34S](-2)
+     -add_logk Log_alpha_34S_H2S(aq)/HS- 1
+     -mole_balance H2[34S](-2)
 
 H2[34S] + HDS = HD[34S] + H2S
-     -mole_balance   HD[34S](-2)
+     -mole_balance HD[34S](-2)
 
 H2[34S] + D2S = D2[34S] + H2S
-     -mole_balance   D2[34S](-2)
+     -mole_balance D2[34S](-2)
 
 H2[34S] + HTS = HT[34S] + H2S
-     -mole_balance   HT[34S](-2)
+     -mole_balance HT[34S](-2)
 
 H2[34S] + T2S = T2[34S] + H2S
-     -mole_balance   T2[34S](-2)
+     -mole_balance T2[34S](-2)
 
 H2[34S] + DTS = DT[34S] + H2S
-     -mole_balance   DT[34S](-2)
+     -mole_balance DT[34S](-2)
 #
 #   NO2- reactions
 #   Updated March 20, 2006
@@ -4298,177 +4302,177 @@ H2[34S] + DTS = DT[34S] + H2S
 #   Checked September 19, 2006
 #
 [15N]O3- + NO2- = [15N]O2- + NO3-
-     -add_logk       Log_alpha_15N_NO2-/NO3-                1.0
-     -gamma          3.0000    0.0000
+     -add_logk Log_alpha_15N_NO2-/NO3- 1
+     -gamma 3 0
 #
 # N2 reactions
 #
 N2 + [15N]O3- = N[15N] + NO3-
-     log_k           0.301029995663                         # log10(2)
-     -add_logk       Log_alpha_15N_N2(aq)/NO3-                  1.0
-     -mole_balance   [15N](0)N(0)
-2N[15N] = [15N]2 + N2
-     log_k           -0.602059991327962396                   # -log10(4)
-     -mole_balance   [15N](0)2
+     log_k 0.301029995663 # log10(2)
+     -add_logk Log_alpha_15N_N2(aq)/NO3- 1
+     -mole_balance [15N](0)N(0)
+2 N[15N] = [15N]2 + N2
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance [15N](0)2
 #
 # NH3 reactions
-#     
+#
 HDO + NH3 = NH2D + H2O
-     log_k           0.176091259055                        # log10(1.5)
-     -add_logk       Log_alpha_D_NH3(aq)/H2O(l)                1.0
-     
-2NH2D = NHD2 + NH3
-     log_k           -0.477121254719                         # -log10(3)
-     
-3NH2D = ND3 + 2NH3
-     -logk           -1.431363764158                         # log10(1/27)
+     log_k 0.176091259055 # log10(1.5)
+     -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1
+
+2 NH2D = NHD2 + NH3
+     log_k -0.477121254719 # -log10(3)
+
+3 NH2D = ND3 + 2 NH3
+     -logk -1.431363764158 # log10(1/27)
 
 HTO + NH3 = NH2T + H2O
-     log_k           0.176091259055                       # log10(1.5)
-     -add_logk       Log_alpha_T_NH3(aq)/H2O(l)                1.0
+     log_k 0.176091259055 # log10(1.5)
+     -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1
 
-2NH2T = NHT2 + NH3
-     log_k           -0.477121254719662                      # log10(1/3)
+2 NH2T = NHT2 + NH3
+     log_k -0.477121254719662 # log10(1/3)
+
+3 NH2T = NT3 + 2 NH3
+     -logk -1.431363764158 # log10(1/27)
 
-3NH2T = NT3 + 2NH3
-     -logk           -1.431363764158                         # log10(1/27)
-     
 NHD2 + NH2T = ND2T + NH3
-     log_k           -0.477121254719                       # -log10(3)
-     
+     log_k -0.477121254719 # -log10(3)
+
 NH2D + NHT2 = NDT2 + NH3
-     log_k           -0.477121254719                       # -log10(3)
-     
+     log_k -0.477121254719 # -log10(3)
+
 # Checked September 19, 2006
-     
+
 NH3 + [15N]O3- = [15N]H3 + NO3-
-     -add_logk       Log_alpha_15N_NH3(aq)/NO3-                 1.0
-     -mole_balance   [15N](-3)H3
-     
+     -add_logk Log_alpha_15N_NH3(aq)/NO3- 1
+     -mole_balance [15N](-3)H3
+
 [15N]H3 + NH2D = [15N]H2D + NH3
 [15N]H3 + NHD2 = [15N]HD2 + NH3
-[15N]H3 + ND3 = [15N]D3  + NH3
+[15N]H3 + ND3 = [15N]D3 + NH3
 [15N]H3 + NH2T = [15N]H2T + NH3
 [15N]H3 + NHT2 = [15N]HT2 + NH3
-[15N]H3 + NT3 = [15N]T3  + NH3
+[15N]H3 + NT3 = [15N]T3 + NH3
 [15N]H3 + ND2T = [15N]D2T + NH3
 [15N]H3 + NDT2 = [15N]DT2 + NH3
-#     
+#
 # NH4+ reactions
 # Updated September 19, 2006
 # Checked September 19, 2006
-#     
+#
 HDO + NH4+ = NH3D+ + H2O
-     log_k           0.301029995663                         # log10(2)
-     -add_logk       Log_alpha_D_NH4+/H2O(l)                   1.0
-     -mole_balance   N(-3)H3D
-     -gamma          2.5000    0.0000
-     
-2NH3D+ = NH2D2+ + NH4+
-     log_k           -0.42596873227228                    # log10(3/8)
-     -mole_balance   N(-3)H2D2
-     -gamma          2.5000    0.0000
-     
-3NH3D+ = NHD3+ + 2NH4+
-     log_k           -1.20411998265                          # log10(1/16)
-     -mole_balance   N(-3)HD3
-     -gamma          2.5000    0.0000
-     
-4NH3D+ = ND4+ + 3NH4+
-     log_k           -2.408239965311                        # log10(1/256)
-     -mole_balance   N(-3)D4
-     -gamma          2.5000    0.0000
-     
+     log_k 0.301029995663 # log10(2)
+     -add_logk Log_alpha_D_NH4+/H2O(l) 1
+     -mole_balance N(-3)H3D
+     -gamma 2.5 0
+
+2 NH3D+ = NH2D2+ + NH4+
+     log_k -0.42596873227228 # log10(3/8)
+     -mole_balance N(-3)H2D2
+     -gamma 2.5 0
+
+3 NH3D+ = NHD3+ + 2 NH4+
+     log_k -1.20411998265 # log10(1/16)
+     -mole_balance N(-3)HD3
+     -gamma 2.5 0
+
+4 NH3D+ = ND4+ + 3 NH4+
+     log_k -2.408239965311 # log10(1/256)
+     -mole_balance N(-3)D4
+     -gamma 2.5 0
+
 HTO + NH4+ = NH3T+ + H2O
-     log_k           0.301029995663                         # log10(2)
-     -add_logk       Log_alpha_T_NH4+/H2O(l)                   1.0
-     -mole_balance   N(-3)H3T
-     -gamma          2.5000    0.0000
-     
-2NH3T+ = NH2T2+ + NH4+
-     log_k           -0.42596873227228                    # log10(3/8)
-     -mole_balance   N(-3)H2T2
-     -gamma          2.5000    0.0000
-     
-3NH3T+ = NHT3+ + 2NH4+
-     log_k           -1.20411998265                          # log10(1/16)
-     -mole_balance   N(-3)HT3
-     -gamma          2.5000    0.0000
-     
-4NH3T+ = NT4+ + 3NH4+
-     log_k           -2.408239965311                        # log10(1/256)
-     -mole_balance   N(-3)T4
-     -gamma          2.5000    0.0000
-#     
+     log_k 0.301029995663 # log10(2)
+     -add_logk Log_alpha_T_NH4+/H2O(l) 1
+     -mole_balance N(-3)H3T
+     -gamma 2.5 0
+
+2 NH3T+ = NH2T2+ + NH4+
+     log_k -0.42596873227228 # log10(3/8)
+     -mole_balance N(-3)H2T2
+     -gamma 2.5 0
+
+3 NH3T+ = NHT3+ + 2 NH4+
+     log_k -1.20411998265 # log10(1/16)
+     -mole_balance N(-3)HT3
+     -gamma 2.5 0
+
+4 NH3T+ = NT4+ + 3 NH4+
+     log_k -2.408239965311 # log10(1/256)
+     -mole_balance N(-3)T4
+     -gamma 2.5 0
+#
 # Updated September 19, 2006
 # Checked September 19, 2006
-#     
+#
 NHD3+ + NH3T+ = ND3T+ + NH4+
-     log_k           -0.602059991327962396                   # -log10(4)
-     -mole_balance   N(-3)D3T
-     -gamma          2.5000    0.0000
-     
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance N(-3)D3T
+     -gamma 2.5 0
+
 NH2D2+ + NH2T2+ = ND2T2+ + NH4+
-     log_k           -0.7781512503836                      # -log10(6)
-     -mole_balance   N(-3)D2T2
-     -gamma          2.5000    0.0000
-     
+     log_k -0.7781512503836 # -log10(6)
+     -mole_balance N(-3)D2T2
+     -gamma 2.5 0
+
 NH3D+ + NHT3+ = NDT3+ + NH4+
-     log_k           -0.602059991327962396                   # -log10(4)
-     -mole_balance   N(-3)DT3
-     -gamma          2.5000    0.0000
-     
+     log_k -0.602059991327962396 # -log10(4)
+     -mole_balance N(-3)DT3
+     -gamma 2.5 0
+
 [15N]H3 + NH4+ = [15N]H4+ + NH3
-     -add_logk       Log_alpha_15N_NH4+/NH3(aq)              1.0
-     -mole_balance   [15N](-3)H4
-     -gamma          2.5000    0.0000
-     
+     -add_logk Log_alpha_15N_NH4+/NH3(aq) 1
+     -mole_balance [15N](-3)H4
+     -gamma 2.5 0
+
 [15N]H4+ + NH3D+ = [15N]H3D+ + NH4+
-     -mole_balance   [15N](-3)H3D
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)H3D
+     -gamma 2.5 0
+
 [15N]H4+ + NH2D2+ = [15N]H2D2+ + NH4+
-     -mole_balance   [15N](-3)H2D2
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)H2D2
+     -gamma 2.5 0
+
 [15N]H4+ + NHD3+ = [15N]HD3+ + NH4+
-     -mole_balance   [15N](-3)HD3
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)HD3
+     -gamma 2.5 0
+
 [15N]H4+ + ND4+ = [15N]D4+ + NH4+
-     -mole_balance   [15N](-3)D4+
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)D4+
+     -gamma 2.5 0
+
 [15N]H4+ + NH3T+ = [15N]H3T+ + NH4+
-     -mole_balance   [15N](-3)H3T
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)H3T
+     -gamma 2.5 0
+
 [15N]H4+ + NH2T2+ = [15N]H2T2+ + NH4+
-     -mole_balance   [15N](-3)H2T2
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)H2T2
+     -gamma 2.5 0
+
 [15N]H4+ + NHT3+ = [15N]HT3+ + NH4+
-     -mole_balance   [15N](-3)HT3
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)HT3
+     -gamma 2.5 0
+
 [15N]H4+ + NT4+ = [15N]T4+ + NH4+
-     -mole_balance   [15N](-3)T4+
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)T4+
+     -gamma 2.5 0
+
 [15N]H4+ + ND3T+ = [15N]D3T+ + NH4+
-     -mole_balance   [15N](-3)D3T
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)D3T
+     -gamma 2.5 0
+
 [15N]H4+ + ND2T2+ = [15N]D2T2+ + NH4+
-     -mole_balance   [15N](-3)D2T2
-     -gamma          2.5000    0.0000
-     
+     -mole_balance [15N](-3)D2T2
+     -gamma 2.5 0
+
 [15N]H4+ + NDT3+ = [15N]DT3+ + NH4+
-     -mole_balance   [15N](-3)DT3
-     -gamma          2.5000    0.0000
-#     
+     -mole_balance [15N](-3)DT3
+     -gamma 2.5 0
+#
 # Missing NH4SO4- reactions
-#     
+#
 #
 # Missing PO4-2 reactions
 #
@@ -4489,18 +4493,18 @@ HF + HTO = TF + H2O
 HF2- + HDO = DF2- + H2O
 HF2- + HTO = TF2- + H2O
 #
-# CaOH reactions 
+# CaOH reactions
 #
 CaOH+ + [18O]H- = Ca[18O]H+ + OH-
-     -mole_balance   Ca[18O]H
+     -mole_balance Ca[18O]H
 CaOH+ + OD- = CaOD+ + OH-
-     -mole_balance   CaOD
+     -mole_balance CaOD
 CaOH+ + [18O]D- = Ca[18O]D+ + OH-
-     -mole_balance   Ca[18O]D
+     -mole_balance Ca[18O]D
 CaOH+ + OT- = CaOT+ + OH-
-     -mole_balance   CaOT+
+     -mole_balance CaOT+
 CaOH+ + [18O]T- = Ca[18O]T+ + OH-
-     -mole_balance   Ca[18O]T
+     -mole_balance Ca[18O]T
 #
 # CaCO3 reactions
 #
@@ -4519,219 +4523,219 @@ CaCO3 + [14C][18O]3-2 = Ca[14C][18O]3 + CO3-2
 # CaHCO3+ reactions
 #
 CaHCO3+ + HCO2[18O]- = CaHCO2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HCO[18O]O- = CaHCO[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HC[18O]O2- = CaHC[18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HCO[18O]2- = CaHCO[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HC[18O]O[18O]- = CaHC[18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HC[18O]2O- = CaHC[18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + HC[18O]3- = CaHC[18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C]O3- = CaH[13C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C]O2[18O]- = CaH[13C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C]O[18O]O- = CaH[13C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C][18O]O2- = CaH[13C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C]O[18O]2- = CaH[13C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C][18O]O[18O]- = CaH[13C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C][18O]2O- = CaH[13C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[13C][18O]3- = CaH[13C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C]O3- = CaH[14C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C]O2[18O]- = CaH[14C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C]O[18O]O- = CaH[14C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C][18O]O2- = CaH[14C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C]O[18O]2- = CaH[14C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C][18O]O[18O]- = CaH[14C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C][18O]2O- = CaH[14C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + H[14C][18O]3- = CaH[14C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 # DCO3-
 CaHCO3+ + DCO3- = CaDCO3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DCO2[18O]- = CaDCO2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DCO[18O]O- = CaDCO[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DC[18O]O2- = CaDC[18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DCO[18O]2- = CaDCO[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DC[18O]O[18O]- = CaDC[18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DC[18O]2O- = CaDC[18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + DC[18O]3- = CaDC[18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C]O3- = CaD[13C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C]O2[18O]- = CaD[13C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C]O[18O]O- = CaD[13C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C][18O]O2- = CaD[13C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C]O[18O]2- = CaD[13C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C][18O]O[18O]- = CaD[13C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C][18O]2O- = CaD[13C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[13C][18O]3- = CaD[13C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C]O3- = CaD[14C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C]O2[18O]- = CaD[14C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C]O[18O]O- = CaD[14C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C][18O]O2- = CaD[14C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C]O[18O]2- = CaD[14C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C][18O]O[18O]- = CaD[14C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C][18O]2O- = CaD[14C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + D[14C][18O]3- = CaD[14C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 # TCO3-
 CaHCO3+ + TCO3- = CaTCO3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TCO2[18O]- = CaTCO2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TCO[18O]O- = CaTCO[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TC[18O]O2- = CaTC[18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TCO[18O]2- = CaTCO[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TC[18O]O[18O]- = CaTC[18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TC[18O]2O- = CaTC[18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + TC[18O]3- = CaTC[18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C]O3- = CaT[13C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C]O2[18O]- = CaT[13C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C]O[18O]O- = CaT[13C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C][18O]O2- = CaT[13C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C]O[18O]2- = CaT[13C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C][18O]O[18O]- = CaT[13C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C][18O]2O- = CaT[13C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[13C][18O]3- = CaT[13C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C]O3- = CaT[14C]O3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C]O2[18O]- = CaT[14C]O2[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C]O[18O]O- = CaT[14C]O[18O]O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C][18O]O2- = CaT[14C][18O]O2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C]O[18O]2- = CaT[14C]O[18O]2+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C][18O]O[18O]- = CaT[14C][18O]O[18O]+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C][18O]2O- = CaT[14C][18O]2O+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 
 CaHCO3+ + T[14C][18O]3- = CaT[14C][18O]3+ + HCO3-
-     -gamma          5.4000    0.0000
+     -gamma 5.4 0
 #
 # CaSO4 reactions
 #
@@ -4858,13 +4862,13 @@ MgHCO3+ + T[14C][18O]3- = MgT[14C][18O]3+ + HCO3-
 MgSO4 + [34S]O4-2 = Mg[34S]O4 + SO4-2
 #
 # Missing MgPO4- reactions
-#     
+#
 #
 # Missing MgHPO4 reactions
-#     
+#
 #
 # Missing Mg2PO4+ reactions
-#     
+#
 #
 # NaOH reactions
 #
@@ -4982,7 +4986,7 @@ KOH + OT- = KOT + OH-
 KOH + [18O]T- = K[18O]T + OH-
 #
 # KSO4- reactions
-#     
+#
 KSO4- + [34S]O4-2 = K[34S]O4- + SO4-2
 #
 # Added FeOH+ reactions 16Dec09
@@ -5098,171 +5102,171 @@ FeHSO4+ + T[34S]O4- = FeT[34S]O4+ + HSO4-
 # Added Fe(HS)2 reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe(HS)2 + HS- + DS- = FeHSDS + 2HS-
-Fe(HS)2 + HS- + TS- = FeHSTS + 2HS-
-Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2HS-
-Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2HS-
-Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2HS-
-Fe(HS)2 + DS- + HS- = FeDSHS + 2HS-
-Fe(HS)2 + DS- + DS- = FeDSDS + 2HS-
-Fe(HS)2 + DS- + TS- = FeDSTS + 2HS-
-Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2HS-
-Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2HS-
-Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2HS-
-Fe(HS)2 + TS- + HS- = FeTSHS + 2HS-
-Fe(HS)2 + TS- + DS- = FeTSDS + 2HS-
-Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2HS-
-Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2HS-
-Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2HS-
-Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2HS-
-Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2HS-
-Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2HS-
-Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2HS-
-Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2HS-
-Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2HS-
-Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2HS-
-Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2HS-
-Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2HS-
-Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2HS-
-Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2HS-
-Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2HS-
-Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2HS-
-Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2HS-
-Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2HS-
+Fe(HS)2 + HS- + DS- = FeHSDS + 2 HS-
+Fe(HS)2 + HS- + TS- = FeHSTS + 2 HS-
+Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2 HS-
+Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2 HS-
+Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2 HS-
+Fe(HS)2 + DS- + HS- = FeDSHS + 2 HS-
+Fe(HS)2 + DS- + DS- = FeDSDS + 2 HS-
+Fe(HS)2 + DS- + TS- = FeDSTS + 2 HS-
+Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2 HS-
+Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2 HS-
+Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2 HS-
+Fe(HS)2 + TS- + HS- = FeTSHS + 2 HS-
+Fe(HS)2 + TS- + DS- = FeTSDS + 2 HS-
+Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2 HS-
+Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2 HS-
+Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2 HS-
+Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2 HS-
+Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2 HS-
+Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2 HS-
+Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2 HS-
+Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2 HS-
+Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2 HS-
+Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2 HS-
+Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2 HS-
+Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2 HS-
+Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2 HS-
+Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2 HS-
+Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2 HS-
+Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2 HS-
+Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2 HS-
+Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2 HS-
 #
 # Added Fe(HS)3- reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3HS-
-Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3HS-
-Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3HS-
-Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3HS-
-Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3HS-
-Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3HS-
-Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3HS-
-Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3HS-
-Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3HS-
-Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3HS-
-Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3HS-
-Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3HS-
-Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3HS-
-Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3HS-
-Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3HS-
-Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3HS-
-Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3HS-
-Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3HS-
-Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3HS-
-Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3HS-
-Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3HS-
-Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3HS-
-Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3HS-
-Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3HS-
-Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3HS-
-Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3HS-
-Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3HS-
-Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3HS-
-Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3HS-
-Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3HS-
-Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3HS-
-Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3HS-
-Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3HS-
-Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3HS-
-Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3HS-
-Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3HS-
-Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3HS-
-Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3HS-
-Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3HS-
-Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3HS-
-Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3HS-
-Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3HS-
-Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3HS-
-Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3HS-
-Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3HS-
-Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3HS-
-Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3HS-
-Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3HS-
+Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3 HS-
+Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3 HS-
+Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3 HS-
+Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3 HS-
+Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3 HS-
+Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3 HS-
+Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3 HS-
+Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3 HS-
+Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3 HS-
+Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3 HS-
+Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3 HS-
+Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3 HS-
+Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3 HS-
+Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3 HS-
+Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3 HS-
+Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3 HS-
+Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3 HS-
+Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3 HS-
+Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3 HS-
+Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3 HS-
+Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3 HS-
+Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3 HS-
+Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3 HS-
+Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3 HS-
+Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3 HS-
+Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3 HS-
+Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3 HS-
+Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3 HS-
+Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3 HS-
+Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3 HS-
+Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3 HS-
+Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3 HS-
+Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3 HS-
+Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3 HS-
+Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3 HS-
+Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3 HS-
+Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3 HS-
+Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3 HS-
+Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3 HS-
+Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3 HS-
+Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3 HS-
+Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3 HS-
+Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3 HS-
+Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3 HS-
+Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3 HS-
+Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3 HS-
+Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3 HS-
+Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3 HS-
+Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3 HS-
+Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3 HS-
+Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3 HS-
+Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3 HS-
+Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3 HS-
+Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3 HS-
+Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3 HS-
+Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3 HS-
+Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3 HS-
+Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3 HS-
+Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3 HS-
+Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3 HS-
+Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3 HS-
+Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3 HS-
+Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3 HS-
+Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3 HS-
+Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3 HS-
+Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3 HS-
+Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3 HS-
+Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3 HS-
+Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3 HS-
+Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3 HS-
+Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3 HS-
+Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3 HS-
+Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3 HS-
+Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3 HS-
+Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3 HS-
+Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3 HS-
+Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3 HS-
+Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3 HS-
+Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3 HS-
+Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3 HS-
+Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3 HS-
+Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3 HS-
+Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3 HS-
+Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3 HS-
+Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3 HS-
 #
 # Missing FeHPO4 reactions
 #
@@ -5281,919 +5285,919 @@ FeOH+2 + [18O]T- = Fe[18O]T+2 + OH-
 # Added Fe(OH)2+ reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2OH-
-Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2OH-
-Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2OH-
-Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2OH-
-Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2OH-
-Fe(OH)2+ + OD- + OH- = FeODOH+ + 2OH-
-Fe(OH)2+ + OD- + OD- = FeODOD+ + 2OH-
-Fe(OH)2+ + OD- + OT- = FeODOT+ + 2OH-
-Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2OH-
-Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2OH-
-Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2OH-
-Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2OH-
-Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2OH-
-Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2OH-
-Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2OH-
-Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2OH-
-Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2OH-
-Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2OH-
-Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2OH-
-Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2OH-
-Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2OH-
-Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2OH-
-Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2OH-
-Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2OH-
-Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2OH-
+Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2 OH-
+Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2 OH-
+Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2 OH-
+Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2 OH-
+Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2 OH-
+Fe(OH)2+ + OD- + OH- = FeODOH+ + 2 OH-
+Fe(OH)2+ + OD- + OD- = FeODOD+ + 2 OH-
+Fe(OH)2+ + OD- + OT- = FeODOT+ + 2 OH-
+Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2 OH-
+Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2 OH-
+Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2 OH-
+Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2 OH-
+Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2 OH-
+Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2 OH-
+Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2 OH-
+Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2 OH-
+Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2 OH-
+Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2 OH-
+Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2 OH-
+Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2 OH-
+Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2 OH-
+Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2 OH-
+Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2 OH-
+Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2 OH-
+Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2 OH-
+Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2 OH-
+Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2 OH-
+Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2 OH-
+Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2 OH-
+Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2 OH-
+Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2 OH-
 #
 # Added Fe(OH)3 reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3OH-
-Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3OH-
-Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3OH-
-Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3OH-
-Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3OH-
-Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3OH-
-Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3OH-
-Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3OH-
-Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3OH-
-Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3OH-
-Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3OH-
-Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3OH-
-Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3OH-
-Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3OH-
-Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3OH-
-Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3OH-
-Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3OH-
-Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3OH-
-Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3OH-
-Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3OH-
-Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3OH-
-Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3OH-
-Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3OH-
-Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3OH-
-Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3OH-
-Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3OH-
-Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3OH-
-Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3OH-
-Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3OH-
-Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3OH-
-Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3OH-
-Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3OH-
-Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3OH-
-Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3OH-
-Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3OH-
-Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3OH-
-Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3OH-
-Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3OH-
-Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3OH-
-Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3OH-
-Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3OH-
-Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3OH-
-Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3OH-
-Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3OH-
-Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3OH-
-Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3OH-
-Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3OH-
-Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3OH-
-Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3OH-
-Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3OH-
-Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3OH-
-Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3OH-
-Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3OH-
-Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3OH-
-Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3OH-
-Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3OH-
-Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3OH-
-Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3OH-
-Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3OH-
-Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3OH-
-Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3OH-
-Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3OH-
-Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3OH-
-Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3OH-
-Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3OH-
-Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3OH-
-Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3OH-
-Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3OH-
-Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3OH-
-Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3OH-
-Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3OH-
-Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3OH-
-Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3OH-
-Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3OH-
-Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3OH-
-Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3OH-
-Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3OH-
-Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3OH-
-Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3OH-
-Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3OH-
-Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3OH-
-Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3OH-
-Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3OH-
+Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3 OH-
+Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3 OH-
+Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3 OH-
+Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3 OH-
+Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3 OH-
+Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3 OH-
+Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3 OH-
+Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3 OH-
+Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3 OH-
+Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3 OH-
+Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3 OH-
+Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3 OH-
+Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3 OH-
+Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3 OH-
+Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3 OH-
+Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3 OH-
+Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3 OH-
+Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3 OH-
+Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3 OH-
+Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3 OH-
+Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3 OH-
+Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3 OH-
+Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3 OH-
+Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3 OH-
+Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3 OH-
+Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3 OH-
+Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3 OH-
+Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3 OH-
+Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3 OH-
+Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3 OH-
+Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3 OH-
+Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3 OH-
+Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3 OH-
+Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3 OH-
+Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3 OH-
+Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3 OH-
+Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3 OH-
+Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3 OH-
+Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3 OH-
+Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3 OH-
+Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3 OH-
+Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3 OH-
+Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3 OH-
+Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3 OH-
+Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3 OH-
+Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3 OH-
+Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3 OH-
+Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3 OH-
+Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3 OH-
+Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3 OH-
+Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3 OH-
+Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3 OH-
+Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3 OH-
+Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3 OH-
+Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3 OH-
+Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3 OH-
+Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3 OH-
+Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3 OH-
+Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3 OH-
+Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3 OH-
+Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3 OH-
+Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3 OH-
+Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3 OH-
+Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3 OH-
+Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3 OH-
+Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3 OH-
+Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3 OH-
+Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3 OH-
+Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3 OH-
+Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3 OH-
+Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3 OH-
+Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3 OH-
+Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3 OH-
+Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3 OH-
+Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3 OH-
+Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3 OH-
+Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3 OH-
+Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3 OH-
+Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3 OH-
+Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3 OH-
+Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3 OH-
+Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3 OH-
+Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3 OH-
+Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3 OH-
+Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3 OH-
+Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3 OH-
 #
 # Added Fe(OH)4- reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4OH-
-Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4OH-
-Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4OH-
-Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4OH-
-Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4OH-
-Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4OH-
-Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4OH-
-Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4OH-
-Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4OH-
-Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4OH-
-Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4OH-
-Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4OH-
-Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4OH-
-Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4OH-
-Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4OH-
-Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4OH-
-Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4OH-
-Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4OH-
-Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4OH-
+Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4 OH-
+Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4 OH-
+Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4 OH-
+Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4 OH-
+Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4 OH-
+Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4 OH-
+Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4 OH-
+Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4 OH-
+Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4 OH-
+Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4 OH-
+Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4 OH-
+Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4 OH-
+Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4 OH-
+Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4 OH-
+Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4 OH-
+Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4 OH-
+Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4 OH-
+Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4 OH-
+Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4 OH-
+Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4 OH-
+Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4 OH-
+Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4 OH-
+Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4 OH-
+Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4 OH-
+Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4 OH-
+Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4 OH-
+Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4 OH-
+Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4 OH-
+Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4 OH-
+Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4 OH-
+Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4 OH-
+Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4 OH-
+Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4 OH-
+Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4 OH-
+Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4 OH-
+Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4 OH-
+Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4 OH-
+Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4 OH-
+Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4 OH-
+Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4 OH-
+Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4 OH-
+Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4 OH-
+Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4 OH-
+Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4 OH-
+Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4 OH-
+Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4 OH-
+Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4 OH-
+Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4 OH-
+Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4 OH-
+Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4 OH-
+Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4 OH-
+Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4 OH-
+Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4 OH-
+Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4 OH-
+Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4 OH-
+Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4 OH-
+Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4 OH-
+Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4 OH-
+Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4 OH-
+Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4 OH-
+Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4 OH-
+Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4 OH-
+Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4 OH-
+Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4 OH-
+Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4 OH-
+Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4 OH-
+Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4 OH-
 #
 # Added Fe2(OH)2+4 reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2OH-
-Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2OH-
-Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2OH-
-Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2OH-
-Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2OH-
-Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2OH-
-Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2OH-
-Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2OH-
-Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2OH-
-Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2OH-
-Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2OH-
-Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2OH-
-Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2OH-
+Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2 OH-
+Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2 OH-
+Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2 OH-
+Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2 OH-
+Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2 OH-
+Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2 OH-
+Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2 OH-
+Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2 OH-
+Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2 OH-
+Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2 OH-
+Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2 OH-
+Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2 OH-
+Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2 OH-
+Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2 OH-
+Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2 OH-
+Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2 OH-
+Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2 OH-
+Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2 OH-
 #
 # Added Fe3(OH)4+5 reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4OH-
-Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4OH-
+Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4 OH-
+Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4 OH-
+Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4 OH-
+Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4 OH-
 #
 # Added FeSO4+ reactions 16Dec09
 #
@@ -6210,9 +6214,9 @@ FeHSO4+2 + T[34S]O4- = FeT[34S]O4+2 + HSO4-
 # Added Fe(SO4)2- reactions 16Dec09
 # Revised 17Dec09
 #
-Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2SO4-2
-Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2SO4-2
-Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2SO4-2
+Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2 SO4-2
+Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2 SO4-2
+Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2 SO4-2
 #
 # Missing FeHPO4+ reactions
 #
@@ -6231,524 +6235,524 @@ AlOH+2 + [18O]T- = Al[18O]T+2 + OH-
 # Added Al(OH)2+ reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Al(OH)2+ + OH- + OD- = AlOHOD+ + 2OH-
-Al(OH)2+ + OH- + OT- = AlOHOT+ + 2OH-
-Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2OH-
-Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2OH-
-Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2OH-
-Al(OH)2+ + OD- + OH- = AlODOH+ + 2OH-
-Al(OH)2+ + OD- + OD- = AlODOD+ + 2OH-
-Al(OH)2+ + OD- + OT- = AlODOT+ + 2OH-
-Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2OH-
-Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2OH-
-Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2OH-
-Al(OH)2+ + OT- + OH- = AlOTOH+ + 2OH-
-Al(OH)2+ + OT- + OD- = AlOTOD+ + 2OH-
-Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2OH-
-Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2OH-
-Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2OH-
-Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2OH-
-Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2OH-
-Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2OH-
-Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2OH-
-Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2OH-
-Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2OH-
-Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2OH-
-Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2OH-
-Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2OH-
-Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2OH-
-Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2OH-
+Al(OH)2+ + OH- + OD- = AlOHOD+ + 2 OH-
+Al(OH)2+ + OH- + OT- = AlOHOT+ + 2 OH-
+Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2 OH-
+Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2 OH-
+Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2 OH-
+Al(OH)2+ + OD- + OH- = AlODOH+ + 2 OH-
+Al(OH)2+ + OD- + OD- = AlODOD+ + 2 OH-
+Al(OH)2+ + OD- + OT- = AlODOT+ + 2 OH-
+Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2 OH-
+Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2 OH-
+Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2 OH-
+Al(OH)2+ + OT- + OH- = AlOTOH+ + 2 OH-
+Al(OH)2+ + OT- + OD- = AlOTOD+ + 2 OH-
+Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2 OH-
+Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2 OH-
+Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2 OH-
+Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2 OH-
+Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2 OH-
+Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2 OH-
+Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2 OH-
+Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2 OH-
+Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2 OH-
+Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2 OH-
+Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2 OH-
+Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2 OH-
+Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2 OH-
+Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2 OH-
+Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2 OH-
+Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2 OH-
+Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2 OH-
+Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2 OH-
 #
 # Added Al(OH)3 reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3OH-
-Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3OH-
-Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3OH-
-Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3OH-
-Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3OH-
-Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3OH-
-Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3OH-
-Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3OH-
-Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3OH-
-Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3OH-
-Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3OH-
-Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3OH-
-Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3OH-
-Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3OH-
-Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3OH-
-Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3OH-
-Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3OH-
-Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3OH-
-Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3OH-
-Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3OH-
-Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3OH-
-Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3OH-
-Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3OH-
-Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3OH-
-Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3OH-
-Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3OH-
-Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3OH-
-Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3OH-
-Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3OH-
-Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3OH-
-Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3OH-
-Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3OH-
-Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3OH-
-Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3OH-
-Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3OH-
-Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3OH-
-Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3OH-
-Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3OH-
-Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3OH-
-Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3OH-
-Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3OH-
-Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3OH-
-Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3OH-
-Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3OH-
-Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3OH-
-Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3OH-
-Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3OH-
-Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3OH-
-Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3OH-
-Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3OH-
-Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3OH-
-Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3OH-
-Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3OH-
-Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3OH-
-Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3OH-
-Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3OH-
-Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3OH-
-Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3OH-
-Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3OH-
-Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3OH-
-Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3OH-
-Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3OH-
-Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3OH-
-Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3OH-
-Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3OH-
-Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3OH-
-Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3OH-
-Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3OH-
-Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3OH-
-Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3OH-
-Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3OH-
-Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3OH-
-Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3OH-
-Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3OH-
-Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3OH-
-Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3OH-
-Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3OH-
-Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3OH-
-Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3OH-
-Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3OH-
-Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3OH-
-Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3OH-
-Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3OH-
-Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3OH-
-Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3OH-
-Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3OH-
-Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3OH-
-Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3OH-
-Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3OH-
-Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3OH-
-Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3OH-
-Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3OH-
-Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3OH-
-Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3OH-
-Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3OH-
-Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3OH-
-Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3OH-
-Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3OH-
-Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3OH-
-Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3OH-
-Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3OH-
-Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3OH-
+Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3 OH-
+Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3 OH-
+Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3 OH-
+Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3 OH-
+Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3 OH-
+Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3 OH-
+Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3 OH-
+Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3 OH-
+Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3 OH-
+Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3 OH-
+Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3 OH-
+Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3 OH-
+Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3 OH-
+Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3 OH-
+Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3 OH-
+Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3 OH-
+Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3 OH-
+Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3 OH-
+Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3 OH-
+Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3 OH-
+Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3 OH-
+Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3 OH-
+Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3 OH-
+Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3 OH-
+Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3 OH-
+Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3 OH-
+Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3 OH-
+Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3 OH-
+Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3 OH-
+Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3 OH-
+Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3 OH-
+Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3 OH-
+Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3 OH-
+Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3 OH-
+Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3 OH-
+Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3 OH-
+Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3 OH-
+Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3 OH-
+Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3 OH-
+Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3 OH-
+Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3 OH-
+Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3 OH-
+Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3 OH-
+Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3 OH-
+Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3 OH-
+Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3 OH-
+Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3 OH-
+Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3 OH-
+Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3 OH-
+Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3 OH-
+Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3 OH-
+Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3 OH-
+Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3 OH-
+Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3 OH-
+Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3 OH-
+Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3 OH-
+Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3 OH-
+Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3 OH-
+Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3 OH-
+Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3 OH-
+Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3 OH-
+Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3 OH-
+Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3 OH-
+Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3 OH-
+Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3 OH-
+Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3 OH-
+Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3 OH-
+Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3 OH-
+Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3 OH-
+Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3 OH-
+Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3 OH-
+Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3 OH-
+Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3 OH-
+Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3 OH-
+Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3 OH-
+Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3 OH-
+Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3 OH-
+Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3 OH-
+Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3 OH-
+Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3 OH-
+Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3 OH-
+Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3 OH-
+Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3 OH-
+Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3 OH-
+Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3 OH-
+Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3 OH-
+Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3 OH-
+Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3 OH-
+Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3 OH-
+Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3 OH-
+Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3 OH-
+Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3 OH-
+Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3 OH-
+Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3 OH-
+Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3 OH-
+Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3 OH-
+Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3 OH-
+Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3 OH-
+Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3 OH-
+Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3 OH-
+Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3 OH-
+Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3 OH-
+Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3 OH-
+Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3 OH-
+Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3 OH-
+Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3 OH-
+Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3 OH-
+Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3 OH-
+Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3 OH-
+Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3 OH-
+Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3 OH-
+Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3 OH-
+Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3 OH-
+Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3 OH-
+Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3 OH-
+Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3 OH-
+Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3 OH-
+Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3 OH-
+Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3 OH-
+Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3 OH-
+Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3 OH-
+Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3 OH-
+Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3 OH-
 #
 # Added Al(OH)4- reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4OH-
-Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4OH-
-Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4OH-
-Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4OH-
-Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4OH-
-Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4OH-
-Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4OH-
-Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4OH-
-Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4OH-
-Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4OH-
-Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4OH-
-Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4OH-
-Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4OH-
-Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4OH-
-Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4OH-
-Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4OH-
-Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4OH-
-Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4OH-
-Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4OH-
-Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4OH-
-Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4OH-
-Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4OH-
-Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4OH-
-Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4OH-
-Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4OH-
-Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4OH-
-Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4OH-
-Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4OH-
-Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4OH-
-Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4OH-
-Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4OH-
-Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4OH-
-Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4OH-
-Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4OH-
-Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4OH-
+Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4 OH-
+Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4 OH-
+Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4 OH-
+Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4 OH-
+Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4 OH-
+Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4 OH-
+Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4 OH-
+Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4 OH-
+Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4 OH-
+Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4 OH-
+Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4 OH-
+Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4 OH-
+Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4 OH-
+Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4 OH-
+Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4 OH-
+Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4 OH-
+Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4 OH-
+Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4 OH-
+Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4 OH-
+Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4 OH-
+Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4 OH-
+Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4 OH-
+Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4 OH-
+Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4 OH-
+Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4 OH-
+Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4 OH-
+Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4 OH-
+Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4 OH-
+Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4 OH-
+Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4 OH-
+Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4 OH-
+Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4 OH-
+Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4 OH-
+Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4 OH-
+Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4 OH-
+Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4 OH-
+Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4 OH-
+Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4 OH-
+Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4 OH-
+Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4 OH-
+Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4 OH-
+Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4 OH-
+Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4 OH-
+Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4 OH-
+Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4 OH-
+Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4 OH-
+Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4 OH-
+Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4 OH-
+Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4 OH-
+Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4 OH-
+Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4 OH-
+Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4 OH-
+Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4 OH-
+Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4 OH-
+Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4 OH-
+Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4 OH-
+Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4 OH-
+Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4 OH-
+Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4 OH-
+Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4 OH-
+Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4 OH-
+Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4 OH-
+Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4 OH-
+Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4 OH-
+Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4 OH-
+Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4 OH-
+Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4 OH-
+Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4 OH-
+Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4 OH-
+Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4 OH-
+Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4 OH-
+Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4 OH-
+Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4 OH-
+Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4 OH-
+Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4 OH-
+Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4 OH-
+Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4 OH-
+Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4 OH-
+Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4 OH-
+Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4 OH-
+Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4 OH-
+Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4 OH-
+Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4 OH-
+Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4 OH-
+Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4 OH-
+Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4 OH-
+Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4 OH-
+Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4 OH-
+Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4 OH-
+Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4 OH-
+Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4 OH-
+Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4 OH-
+Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4 OH-
+Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4 OH-
+Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4 OH-
+Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4 OH-
+Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4 OH-
+Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4 OH-
+Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4 OH-
+Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4 OH-
+Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4 OH-
+Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4 OH-
+Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4 OH-
+Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4 OH-
+Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4 OH-
+Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4 OH-
+Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4 OH-
+Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4 OH-
+Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4 OH-
 #
 # Added AlSO4+ reactions 16Dec09
 #
@@ -6757,9 +6761,9 @@ AlSO4+ + [34S]O4-2 = Al[34S]O4+ + SO4-2
 # Added Al(SO4)2- reactions 16Dec09
 # Revised 17Dec09, limited the number of species
 #
-Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2SO4-2
-Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2SO4-2
-Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2SO4-2
+Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2 SO4-2
+Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2 SO4-2
+Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2 SO4-2
 #
 # Added AlHSO4+2 reactions 16Dec09
 #
@@ -6789,47 +6793,47 @@ PHASES
 #
 HDO(g)
      HDO(g) + H2O(l) = H2O(g) + HDO(aq)
-     -add_logk       Log_alpha_D_H2O(g)/H2O(l)              -1.0
+     -add_logk Log_alpha_D_H2O(g)/H2O(l) -1
 
 HTO(g)
      HTO(g) + H2O(l) = H2O(g) + HTO(aq)
-     -add_logk       Log_alpha_T_H2O(g)/H2O(l)              -1.0
+     -add_logk Log_alpha_T_H2O(g)/H2O(l) -1
 
 DTO(g)
      DTO(g) + H2O(g) = HDO(g) + HTO(g)
-     log_k           0.301029995663                          # log10(2)
+     log_k 0.301029995663 # log10(2)
 
 D2O(g)
-     D2O(g) + H2O(g) = 2HDO(g)
-     log_k           0.602059991327962396                   # log10(4)
+     D2O(g) + H2O(g) = 2 HDO(g)
+     log_k 0.602059991327962396 # log10(4)
 
 T2O(g)
-     T2O(g) + H2O(g) = 2HTO(g)
-     log_k           0.602059991327962396                   # log10(4)
+     T2O(g) + H2O(g) = 2 HTO(g)
+     log_k 0.602059991327962396 # log10(4)
 
 H2[18O](g)
      H2[18O](g) + H2O(l) = H2O(g) + H2[18O](aq)
-     -add_logk       Log_alpha_18O_H2O(g)/H2O(l)              -1.0
+     -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1
 
 HD[18O](g)
      HD[18O](g) + H2O(g) = HDO(g) + H2[18O](g)
-     log_k           0.0
+     log_k 0
 
 HT[18O](g)
      HT[18O](g) + H2O(g) = HTO(g) + H2[18O](g)
-     log_k           0.0
+     log_k 0
 
 D2[18O](g)
      D2[18O](g) + H2O(g) = D2O(g) + H2[18O](g)
-     log_k           0.0
+     log_k 0
 
 T2[18O](g)
      T2[18O](g) + H2O(g) = T2O(g) + H2[18O](g)
-     log_k           0.0
+     log_k 0
 
 DT[18O](g)
      DT[18O](g) + H2O(g) = DTO(g) + H2[18O](g)
-     log_k           0.0
+     log_k 0
 #
 # O2 gas - O2 aqueous
 # last update March 20, 2006
@@ -6839,11 +6843,11 @@ DT[18O](g)
 O[18O](g)
      O[18O](g) + H2O(l) = O2(g) + H2[18O](aq)
 ## symmetry K ??
-     -add_logk       Log_alpha_18O_O2(g)/H2O(l)               -1.0
+     -add_logk Log_alpha_18O_O2(g)/H2O(l) -1
 
 [18O]2(g)
-     [18O]2(g) + O2(g) = 2O[18O](g)
-     log_k           0.602059991327962396                   # log10(4)
+     [18O]2(g) + O2(g) = 2 O[18O](g)
+     log_k 0.602059991327962396 # log10(4)
 #
 # H2 gas - H2 aqueous
 # last update March 20, 2006
@@ -6852,23 +6856,23 @@ O[18O](g)
 #
 HD(g)
      HD(g) + H2O(l) = H2(g) + HDO(aq)
-     -add_logk       Log_alpha_D_H2(g)/H2O(l)               -1.0
+     -add_logk Log_alpha_D_H2(g)/H2O(l) -1
 
 HT(g)
      HT(g) + H2O(l) = H2(g) + HTO(aq)
-     -add_logk       Log_alpha_T_H2(g)/H2O(l)               -1.0
+     -add_logk Log_alpha_T_H2(g)/H2O(l) -1
 
 D2(g)
-     D2(g) + H2(g) = 2HD(g)
-     log_k           0.602059991327962396                   # log10(4)
-         
+     D2(g) + H2(g) = 2 HD(g)
+     log_k 0.602059991327962396 # log10(4)
+
 T2(g)
-     T2(g) + H2(g) = 2HT(g)
-     log_k           0.602059991327962396                   # log10(4)
+     T2(g) + H2(g) = 2 HT(g)
+     log_k 0.602059991327962396 # log10(4)
 
 DT(g)
      DT(g) + H2(g) = HD(g) + HT(g)
-     log_k           0.301029995663                          # log10(2)
+     log_k 0.301029995663 # log10(2)
 #
 # CO2 gas - CO2 aqueous
 # last update March 20, 2006
@@ -6877,36 +6881,36 @@ DT(g)
 #
 CO[18O](g)
      CO[18O](g) + H2O(l) = H2[18O](aq) + CO2(g)
-     log_k           -0.301029995663                          # -log10(2)
-     -add_logk       Log_alpha_18O_CO2(g)/H2O(l)            -1.0
+     log_k -0.301029995663 # -log10(2)
+     -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1
 
 C[18O]2(g)
-     C[18O]2(g) + CO2(g) = 2CO[18O](g)
-     log_k           0.602059991327962396                   # log10(4)
+     C[18O]2(g) + CO2(g) = 2 CO[18O](g)
+     log_k 0.602059991327962396 # log10(4)
 
 [13C]O2(g)
      [13C]O2(g) + CO2(aq) = [13C]O2(aq) + CO2(g)
-     -add_logk       Log_alpha_13C_CO2(g)/CO2(aq)            -1.0
+     -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1
 
 [13C]O[18O](g)
      [13C]O[18O](g) + CO2(g) = [13C]O2(g) + CO[18O](g)
-     log_k           0
+     log_k 0
 
 [13C][18O]2(g)
      [13C][18O]2(g) + CO2(g) = C[18O]2(g) + [13C]O2(g)
-     log_k           0
+     log_k 0
 
 [14C]O2(g)
      [14C]O2(g) + CO2(aq) = [14C]O2(aq) + CO2(g)
-     -add_logk       Log_alpha_14C_CO2(g)/CO2(aq)            -1.0
+     -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1
 
 [14C]O[18O](g)
      [14C]O[18O](g) + CO2(g) = [14C]O2(g) + CO[18O](g)
-     log_k           0
+     log_k 0
 
 [14C][18O]2(g)
-     [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) 
-     log_k           0
+     [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g)
+     log_k 0
 #
 # Calcite
 # last update Feb 13, 2006
@@ -6914,63 +6918,63 @@ C[18O]2(g)
 # Checked September 19, 2006
 #
 CaCO2[18O](s)
-     CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) 
-     log_k           -0.477121254719                          # -log10(3) ???
-     -add_logk       Log_alpha_18O_Calcite/H2O(l)            -1.0
+     CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s)
+     log_k -0.477121254719 # -log10(3) ???
+     -add_logk Log_alpha_18O_Calcite/H2O(l) -1
 
 CaCO[18O]2(s)
-     CaCO[18O]2(s) + Calcite(s) = 2CaCO2[18O](s)
-     log_k           0.477121254719                        # log10(3)
+     CaCO[18O]2(s) + Calcite(s) = 2 CaCO2[18O](s)
+     log_k 0.477121254719 # log10(3)
 
 CaC[18O]3(s)
-     CaC[18O]3(s) + 2Calcite(s) = 3CaCO2[18O](s)
-     log_k           1.431363764158                         # log10(27)
+     CaC[18O]3(s) + 2 Calcite(s) = 3 CaCO2[18O](s)
+     log_k 1.431363764158 # log10(27)
 
 Ca[13C]O3(s)
      Ca[13C]O3(s) + CO2 = [13C]O2 + Calcite(s)
-     -add_logk       Log_alpha_13C_Calcite/CO2(aq)           -1.0
+     -add_logk Log_alpha_13C_Calcite/CO2(aq) -1
 
 Ca[13C]O2[18O](s)
      Ca[13C]O2[18O](s) + Calcite(s) = Ca[13C]O3(s) + CaCO2[18O](s)
-     log_k           0
+     log_k 0
 
 Ca[13C]O[18O]2(s)
      Ca[13C]O[18O]2(s) + Calcite(s) = Ca[13C]O3(s) + CaCO[18O]2(s)
-     log_k           0
+     log_k 0
 
 Ca[13C][18O]3(s)
      Ca[13C][18O]3(s) + Calcite(s) = Ca[13C]O3(s) + CaC[18O]3(s)
-     log_k           0
+     log_k 0
 
 Ca[14C]O3(s)
      Ca[14C]O3(s) + CO2 = Calcite(s) + [14C]O2
-     -add_logk       Log_alpha_14C_Calcite/CO2(aq)           -1.0
+     -add_logk Log_alpha_14C_Calcite/CO2(aq) -1
 
 Ca[14C]O2[18O](s)
      Ca[14C]O2[18O](s) + Calcite(s) = Ca[14C]O3(s) + CaCO2[18O](s)
-     log_k           0
+     log_k 0
 
 Ca[14C]O[18O]2(s)
      Ca[14C]O[18O]2(s) + Calcite(s) = Ca[14C]O3(s) + CaCO[18O]2(s)
-     log_k           0
+     log_k 0
 
 Ca[14C][18O]3(s)
      Ca[14C][18O]3(s) + Calcite(s) = Ca[14C]O3(s) + CaC[18O]3(s)
-     log_k           0
+     log_k 0
 #
 # Pyrite, March 20, 2006
 # Update September 28, 2006
 # Checked September 28, 2006
-# 
+#
 Pyrite_FeS[34S]
      FeS[34S](s) + HS- = Pyrite(s) + H[34S]-
-     -add_logk       Log_alpha_34S_Pyrite/HS-               -1.0
+     -add_logk Log_alpha_34S_Pyrite/HS- -1
 
 Pyrite_Fe[34S]S
      Fe[34S]S(s) = Pyrite_FeS[34S](s)
 
 Pyrite_Fe[34S]2
-     Fe[34S]2(s) + Pyrite(s) = 2Pyrite_FeS[34S](s)
+     Fe[34S]2(s) + Pyrite(s) = 2 Pyrite_FeS[34S](s)
 #
 # CH4 reactions
 # last update March 20, 2006
@@ -6979,53 +6983,53 @@ Pyrite_Fe[34S]2
 #
 CH3D(g)
      CH3D(g) + H2O(l) = CH4(g) + HDO(aq)
-     log_k           -0.301029995663                          # -log10(2)   ???
-     -add_logk       Log_alpha_D_CH4(g)/H2O(l)      -1.0
+     log_k -0.301029995663 # -log10(2) ???
+     -add_logk Log_alpha_D_CH4(g)/H2O(l) -1
 
 CH2D2(g)
-     CH2D2(g) + CH4(g) = 2CH3D(g)
-     log_k           0.42596873227228                    # log10(8/3)
+     CH2D2(g) + CH4(g) = 2 CH3D(g)
+     log_k 0.42596873227228 # log10(8/3)
 
 CHD3(g)
-     CHD3(g) + 2CH4(g) = 3CH3D(g)
-     log_k           1.20411998265                          # log10(16)
+     CHD3(g) + 2 CH4(g) = 3 CH3D(g)
+     log_k 1.20411998265 # log10(16)
 
 CD4(g)
-     CD4(g) + 3CH4(g) = 4CH3D(g)
-     log_k           2.408239965311                        # log10(256)
+     CD4(g) + 3 CH4(g) = 4 CH3D(g)
+     log_k 2.408239965311 # log10(256)
 
 CH3T(g)
      CH3T(g) + H2O(l) = CH4(g) + HTO(aq)
-     log_k           -0.301029995663                          # -log10(2)   ???
-     -add_logk       Log_alpha_T_CH4(g)/H2O(l)           -1.0
+     log_k -0.301029995663 # -log10(2) ???
+     -add_logk Log_alpha_T_CH4(g)/H2O(l) -1
 
 CH2T2(g)
-     CH2T2(g) + CH4(g) = 2CH3T(g)
-     log_k           0.42596873227228                    # log10(8/3)
+     CH2T2(g) + CH4(g) = 2 CH3T(g)
+     log_k 0.42596873227228 # log10(8/3)
 
 CHT3(g)
-     CHT3(g) + 2CH4(g) = 3CH3T(g)
-     log_k           1.20411998265                          # log10(16)
+     CHT3(g) + 2 CH4(g) = 3 CH3T(g)
+     log_k 1.20411998265 # log10(16)
 
 CT4(g)
-     CT4(g) + 3CH4(g) = 4CH3T(g)
-     log_k           2.408239965311                        # log10(256)
+     CT4(g) + 3 CH4(g) = 4 CH3T(g)
+     log_k 2.408239965311 # log10(256)
 
 CD3T(g)
      CD3T(g) + CH4(g) = CHD3(g) + CH3T(g)
-     log_k           0.602059991327962396                   # log10(4)
+     log_k 0.602059991327962396 # log10(4)
 
 CD2T2(g)
      CD2T2(g) + CH4(g) = CH2D2(g) + CH2T2(g)
-     log_k           0.7781512503836                      # log10(6)
+     log_k 0.7781512503836 # log10(6)
 
 CDT3(g)
      CDT3(g) + CH4(g) = CHT3(g) + CH3D(g)
-     log_k           0.602059991327962396                   # log10(4)
+     log_k 0.602059991327962396 # log10(4)
 
 [13C]H4(g)
      [13C]H4(g) + CO2(aq) = [13C]O2(aq) + CH4(g)
-     -add_logk       Log_alpha_13C_CH4(g)/CO2(aq)    -1.0
+     -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1
 
 [13C]H3D(g)
      [13C]H3D(g) + CH4(g) = CH3D(g) + [13C]H4(g)
@@ -7056,50 +7060,50 @@ CDT3(g)
 
 [13C]D2T2(g)
      [13C]D2T2(g) + CH4(g) = CD2T2(g) + [13C]H4(g)
-     
+
 [13C]DT3(g)
      [13C]DT3(g) + CH4(g) = CDT3(g) + [13C]H4(g)
-     
+
 [13C]T4(g)
      [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g)
-     
+
 [14C]H4(g)
      [14C]H4(g) + CO2(aq) = [14C]O2(aq) + CH4(g)
-     -add_logk       Log_alpha_14C_CH4(g)/CO2(aq)    -1.0
-     
+     -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1
+
 [14C]H3D(g)
      [14C]H3D(g) + CH4(g) = CH3D(g) + [14C]H4(g)
-     
+
 [14C]H2D2(g)
      [14C]H2D2(g) + CH4(g) = CH2D2(g) + [14C]H4(g)
-     
+
 [14C]HD3(g)
      [14C]HD3(g) + CH4(g) = CHD3(g) + [14C]H4(g)
 
 [14C]D4(g)
      [14C]D4(g) + CH4(g) = CD4(g) + [14C]H4(g)
-     
+
 [14C]H3T(g)
      [14C]H3T(g) + CH4(g) = CH3T(g) + [14C]H4(g)
-     
+
 [14C]H2T2(g)
      [14C]H2T2(g) + CH4(g) = CH2T2(g) + [14C]H4(g)
-     
+
 [14C]HT3(g)
      [14C]HT3(g) + CH4(g) = CHT3(g) + [14C]H4(g)
-     
+
 [14C]T4(g)
      [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g)
-     
+
 [14C]D3T(g)
      [14C]D3T(g) + CH4(g) = CD3T(g) + [14C]H4(g)
-     
+
 [14C]D2T2(g)
      [14C]D2T2(g) + CH4(g) = CD2T2(g) + [14C]H4(g)
-     
+
 [14C]DT3(g)
      [14C]DT3(g) + CH4(g) = CDT3(g) + [14C]H4(g)
-     
+
 [14C]T4(g)
      [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g)
 #
@@ -7109,27 +7113,27 @@ CDT3(g)
 #
 HDS(g)
      HDS(g) + H2S(aq) = HDS(aq) + H2S(g)
-     -add_logk       Log_alpha_D_H2S(g)/H2S(aq)      -1.0
+     -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1
 
 D2S(g)
-     D2S(g) + H2S(g) = 2HDS(g)
-     log_k           0.602059991327962396             # log10(4)
+     D2S(g) + H2S(g) = 2 HDS(g)
+     log_k 0.602059991327962396 # log10(4)
 
 HTS(g)
      HTS(g) + H2S(aq) = HTS(aq) + H2S(g)
-     -add_logk       Log_alpha_T_H2S(g)/H2S(aq)      -1.0
+     -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1
 
 T2S(g)
-     T2S(g) + H2S(g) = 2HTS(g)
-     log_k           0.602059991327962396             # log10(4)
+     T2S(g) + H2S(g) = 2 HTS(g)
+     log_k 0.602059991327962396 # log10(4)
 
 DTS(g)
      DTS(g) + H2S(g) = HDS(g) + HTS(g)
-     log_k           0.301029995663                  # log10(2)
+     log_k 0.301029995663 # log10(2)
 
 H2[34S](g)
      H2[34S](g) + H2S(aq) = H2[34S](aq) + H2S(g)
-     -add_logk       Log_alpha_34S_H2S(g)/H2S(aq)    -1.0
+     -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1
 
 HD[34S](g)
      HD[34S](g) + H2S(g) = HDS(g) + H2[34S](g)
@@ -7151,60 +7155,60 @@ DT[34S](g)
 #
 Ca[34S]O4:2H2O
      Ca[34S]O4:2H2O + SO4-2 = [34S]O4-2 + Gypsum(s)
-     -add_logk       Log_alpha_34S_Gypsum/SO4-2       -1.0
+     -add_logk Log_alpha_34S_Gypsum/SO4-2 -1
 
 Ca[34S]O4
      Ca[34S]O4 + SO4-2 = [34S]O4-2 + Anhydrite(s)
-     -add_logk       Log_alpha_34S_Anhydrite/SO4-2    -1.0
+     -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1
 #
 #  Nitrogen phases
 #  Checked September 19, 2006
 #
 N[15N](g)
      N[15N](g) + N2(aq) = N[15N](aq) + N2(g)
-     -add_logk       Log_alpha_15N_N2(g)/N2(aq)              -1.0            
+     -add_logk Log_alpha_15N_N2(g)/N2(aq) -1
 
 [15N]2(g)
-     [15N]2(g) + N2(g) = 2N[15N](g)
-     log_k           0.602059991327962396                   # log10(4)
+     [15N]2(g) + N2(g) = 2 N[15N](g)
+     log_k 0.602059991327962396 # log10(4)
 
 NH2D(g)
      NH2D(g) + H2O(l) = NH3(g) + HDO(aq)
 ## symmetry K??
-     -add_logk       Log_alpha_D_NH3(g)/H2O(l)                -1.0
+     -add_logk Log_alpha_D_NH3(g)/H2O(l) -1
 
 NHD2(g)
-     NHD2(g) + NH3(g) = 2NH2D(g)
-     log_k           0.477121254719                        # log10(3)
+     NHD2(g) + NH3(g) = 2 NH2D(g)
+     log_k 0.477121254719 # log10(3)
 
 ND3(g)
-     ND3(g) + 2NH3(g) = 3NH2D(g)
-         -logk           1.431363764158                         # log10(27)
+     ND3(g) + 2 NH3(g) = 3 NH2D(g)
+         -logk 1.431363764158 # log10(27)
 
 NH2T(g)
      NH2T(g) + H2O(l) = NH3(g) + HTO(aq)
 ## symmetry K??
-     -add_logk       Log_alpha_T_NH3(g)/H2O(l)                -1.0
+     -add_logk Log_alpha_T_NH3(g)/H2O(l) -1
 
 NHT2(g)
-     NHT2(g) + NH3(g) = 2NH2T(g)
-     log_k           0.477121254719                        # log10(3)
+     NHT2(g) + NH3(g) = 2 NH2T(g)
+     log_k 0.477121254719 # log10(3)
 
 NT3(g)
-     NT3(g) + 2NH3(g) = 3NH2T(g)
-         -logk           1.431363764158                         # log10(27)
+     NT3(g) + 2 NH3(g) = 3 NH2T(g)
+         -logk 1.431363764158 # log10(27)
 
 ND2T(g)
      ND2T(g) + NH3(g) = NHD2(g) + NH2T(g)
-     log_k           0.477121254719                        # log10(3)
+     log_k 0.477121254719 # log10(3)
 
 NDT2(g)
      NDT2(g) + NH3(g) = NH2D(g) + NHT2(g)
-     log_k           0.477121254719                        # log10(3)
+     log_k 0.477121254719 # log10(3)
 
 [15N]H3(g)
      [15N]H3(g) + NH3(aq) = [15N]H3(aq) + NH3(g)
-     -add_logk       Log_alpha_15N_NH3(g)/NH3(aq)            -1.0            
+     -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1
 
 [15N]H2D(g)
      [15N]H2D(g) + NH3(g) = NH2D(g) + [15N]H3(g)
diff --git a/database/llnl-organics/llnl_organics.dat b/database/llnl-organics/llnl_organics.dat
index d88d35d9..491b2c57 100644
--- a/database/llnl-organics/llnl_organics.dat
+++ b/database/llnl-organics/llnl_organics.dat
@@ -1,22834 +1,22834 @@
-#  $Id: llnl.dat 4023 2010-02-09 21:02:42Z dlpark $
-#Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at
-#Lawrence Livermore National Laboratory, in Geochemist's Workbench
-#format. Converted to Phreeqc format by Greg Anderson with help from
-#David Parkhurst. A few organic species have been omitted.  
-
-#Delta H of reaction calculated from Delta H of formations given in
-#thermo.com.V8.R6.230 (8 Mar 2000).
-
-#Note that species have various valid temperature ranges, noted in
-#the Range parameter. However, Phreeqc at present makes no use of
-#this parameter, so it is the user's responsibility to remain in the
-#valid temperature range for all the data used.
-
-#This version is relatively untested. Kindly send comments or
-#corrections to Greg Anderson at greg@geology.utoronto.ca.
-
-LLNL_AQUEOUS_MODEL_PARAMETERS
--temperatures
-         0.0100   25.0000   60.0000  100.0000
-       150.0000  200.0000  250.0000  300.0000
-#debye huckel a (adh)
--dh_a
-         0.4939    0.5114    0.5465    0.5995
-         0.6855    0.7994    0.9593    1.2180
-#debye huckel b (bdh)
--dh_b
-         0.3253    0.3288    0.3346    0.3421
-         0.3525    0.3639    0.3766    0.3925
--bdot
-         0.0374    0.0410    0.0438    0.0460
-         0.0470    0.0470    0.0340    0.0000
-#cco2   (coefficients for the Drummond (1981) polynomial)
--co2_coefs
-        -1.0312              0.0012806
-          255.9                 0.4445
-      -0.001606
-NAMED_EXPRESSIONS
-#
-# formation of O2 from H2O 
-# 2H2O =  O2 + 4H+ + 4e-  
-#
-	Log_K_O2
-	 	log_k      -85.9951
-		-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
-#	Enthalpy of formation:	-2.9 kcal/mol
-	        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
-#	Range:  0-300
-
-
-SOLUTION_MASTER_SPECIES
-
-#element species        alk     gfw_formula     element_gfw
-
-Acetate	 CH3COO-	0.0	CH3COO-		59.0252
-Ag	 Ag+		0.0	Ag		107.8682
-Ag(1)	 Ag+		0	Ag
-Ag(2)	 Ag+2   	0	Ag
-Al       Al+3           0.0     Al              26.9815
-Alkalinity HCO3-        1.0     Ca0.5(CO3)0.5   50.05
-Am	 Am+3		0.0	Am		243.0000
-Am(+2)	 Am+2		0.0	Am
-Am(+3)	 Am+3		0.0	Am
-Am(+4)	 Am+4		0.0	Am
-Am(+5)	 AmO2+		0.0	Am
-Am(+6)	 AmO2+2		0.0	Am
-Ar	 Ar		0.0	Ar		39.948
-As	 H2AsO4-	0.0	As		74.9216
-As(-3)	 AsH3		0.0	As
-As(+3)	 H2AsO3-	0.0	As
-As(+5)	 H2AsO4-	0.0	As
-Au	 Au+		0.0	Au		196.9665
-Au(+1)	 Au+		0.0	Au
-Au(+3)	 Au+3		0.0	Au
-#B        H3BO3          0.0     B               10.811
-B        B(OH)3         0.0     B               10.811
-B(3)	 B(OH)3	 	0	B
-B(-5)	 BH4-	 	0	B
-Ba       Ba+2           0.0     Ba              137.3270
-Be	 Be+2		0.0	Be		9.0122
-Br       Br-            0.0     Br              79.904
-Br(-03)	 Br3- 		0	Br
-Br(-1)	 Br-		0	Br
-Br(0)	 Br2		0	Br
-Br(1)	 BrO-		0	Br
-Br(5)	 BrO3-		0	Br
-Br(7)	 BrO4-		0	Br
-C(-4)	 CH4		0.0	CH4
-C(-3)	 C2H6		0.0	C2H6
-C(-2.667) C3H8		0	C3H8
-C(-2)	 C2H4		0.0	C2H4
-C(-1.14) C7H8	 	0	C7H8
-C(-1)	 C6H6		0	C6H6
-C(-0.667) C6H5OH	0	C6H5OH
-C(-.286) C7H6O2		0	C7H6O2
-C        HCO3-          1.0     HCO3		12.0110 
-C(+1)	 C3H7COOH	0	C3H7COOH	
-C(+2)	 CO		0	C
-C(+4)    HCO3-          1.0     HCO3
-Ca       Ca+2           0.0     Ca              40.078
-Cyanide  Cyanide-	1.0     CN		26.
-Cd       Cd+2           0.0     Cd              112.411
-Ce	 Ce+3		0.0	Ce		140.115
-Ce(+2)	 Ce+2		0.0	Ce
-Ce(+3)	 Ce+3		0.0	Ce
-Ce(+4)	 Ce+4		0.0	Ce
-Cl       Cl-            0.0     Cl              35.4527
-Cl(-1)	 Cl-		0	Cl
-Cl(1)	 ClO-		0	Cl
-Cl(3)	 ClO2-		0	Cl
-Cl(5)	 ClO3-		0	Cl
-Cl(7)	 ClO4-		0	Cl
-Co	 Co+2		0.0	Co		58.9332
-Co(+2)	 Co+2		0.0	Co
-Co(+3)	 Co+3		0.0	Co
-Cr	 CrO4-2		0.0	CrO4-2  	51.9961
-Cr(+2)	 Cr+2		0.0	Cr
-Cr(+3)	 Cr+3		0.0	Cr
-Cr(+5)	 CrO4-3		0.0	Cr
-Cr(+6)	 CrO4-2		0.0	Cr
-Cs	 Cs+		0.0	Cs		132.9054
-Cu       Cu+2           0.0     Cu              63.546
-Cu(+1)   Cu+1           0.0     Cu
-Cu(+2)   Cu+2           0.0     Cu
-Dy	 Dy+3		0.0	Dy		162.50
-Dy(+2)	 Dy+2		0.0	Dy
-Dy(+3)	 Dy+3		0.0	Dy
-E        e-             0.0     0.0             0.0
-Er	 Er+3		0.0	Er		167.26
-Er(+2)	 Er+2		0.0	Er
-Er(+3)	 Er+3		0.0	Er
-#Ethylene C2H4	        0.0     C2H4	        28.0536 
-Eu	 Eu+3		0.0	Eu		151.965
-Eu(+2)	 Eu+2		0.0	Eu
-Eu(+3)	 Eu+3		0.0	Eu
-F        F-             0.0     F               18.9984
-Fe       Fe+2           0.0     Fe              55.847
-Fe(+2)   Fe+2           0.0     Fe
-Fe(+3)   Fe+3           -2.0    Fe
-Ga	 Ga+3		0.0	Ga		69.723
-Gd	 Gd+3		0.0	Gd		157.25
-Gd(+2)	 Gd+2		0.0	Gd
-Gd(+3)	 Gd+3		0.0	Gd
-H        H+             -1.     H               1.0079
-H(0)     H2             0.0     H
-H(+1)    H+             -1.     0.0
-He	 He		0.0	He		4.0026
-He(0)	 He		0.0	He
-Hf	 Hf+4		0.0	Hf		178.49
-Hg	 Hg+2		0.0	Hg		200.59
-Hg(+1)	 Hg2+2		0.0	Hg
-Hg(+2)	 Hg+2		0.0	Hg
-Ho	 Ho+3		0.0	Ho		164.9303
-Ho(+2)	 Ho+2		0.0	Ho
-Ho(+3)	 Ho+3		0.0	Ho
-I	 I-		0.0	I		126.9045
-I(-03)   I3-		0	I
-I(-1)	 I-		0.0	I
-I(+1)	 IO-		0.0	I
-I(+5)	 IO3-		0.0	I
-I(+7)	 IO4-		0.0	I
-In	 In+3		0.0	In		114.82
-K        K+             0.0     K               39.0983
-Kr	 Kr		0.0	Kr		83.80
-Kr(0)	 Kr		0.0	Kr
-La	 La+3		0.0	La		138.9055
-La(2)	 La+2		0	La
-La(3)	 La+3		0	La
-Li       Li+            0.0     Li              6.9410
-Lu	 Lu+3		0.0	Lu		174.967
-Mg       Mg+2           0.0     Mg              24.305
-Mn       Mn+2           0.0     Mn              54.938
-Mn(+2)   Mn+2           0.0     Mn
-Mn(+3)   Mn+3           0.0     Mn
-Mn(+6)   MnO4-2		0	Mn
-Mn(+7)   MnO4-		0	Mn
-Mo	 MoO4-2		0.0	Mo		95.94
-N        NH3            1.0     N               14.0067
-N(-3)    NH3            1.0     N
-N(-03)   N3-		0.0	N
-N(0)     N2             0.0     N
-N(+3)    NO2-           0.0     N
-N(+5)    NO3-           0.0     N
-Na       Na+            0.0     Na              22.9898
-Nd	 Nd+3		0.0	Nd		144.24
-Nd(+2)	 Nd+2		0.0	Nd
-Nd(+3)	 Nd+3		0.0	Nd
-Ne	 Ne		0.0	Ne		20.1797
-#Ne(0)	 Ne		0.0	Ne
-Ni	 Ni+2		0.0	Ni		58.69
-Np	 Np+4		0.0	Np		237.048
-Np(+3)	 Np+3		0.0	Np
-Np(+4)	 Np+4		0.0	Np
-Np(+5)	 NpO2+		0.0	Np
-Np(+6)	 NpO2+2		0.0	Np
-O        H2O            0.0     O               15.994
-O(-2)    H2O            0.0     0.0
-O(0)     O2             0.0     O
-O_phthalate O_phthalate-2 0 1 1
-P        HPO4-2         2.0     P               30.9738
-P(-3)	 PH4+		0	P
-P(5)     HPO4-2         2.0     P
-Pb       Pb+2           0.0     Pb              207.20 
-Pb(+2)	 Pb+2		0.0	Pb
-Pb(+4)	 Pb+4		0.0	Pb
-Pd	 Pd+2		0.0	Pd		106.42
-Pm	 Pm+3		0.0	Pm		147.00
-Pm(+2)	 Pm+2		0.0	Pm
-Pm(+3)	 Pm+3		0.0	Pm
-Pr	 Pr+3		0.0	Pr		140.9076
-Pr(+2)	 Pr+2		0.0	Pr
-Pr(+3)	 Pr+3		0.0	Pr
-Pu	 Pu+4		0.0	Pu		244.00
-Pu(+3)	 Pu+3		0.0	Pu
-Pu(+4)	 Pu+4		0.0	Pu
-Pu(+5)	 PuO2+		0.0	Pu
-Pu(+6)	 PuO2+2		0.0	Pu
-Ra	 Ra+2		0.0	Ra		226.025
-Rb	 Rb+		0.0	Rb		85.4678
-Re	 ReO4-		0.0	Re		186.207
-Rn	 Rn		0.0	Rn		222.00
-Ru	 RuO4-2		0.0	Ru		101.07
-Ru(+2)	 Ru+2		0.0	Ru
-Ru(+3)	 Ru+3		0.0	Ru
-Ru(+4)	 Ru(OH)2+2	0.0	Ru
-Ru(+6)	 RuO4-2		0.0	Ru
-Ru(+7)	 RuO4-		0.0	Ru
-Ru(+8)	 RuO4		0.0	Ru
-S	 SO4-2          0.0     SO4             32.066
-S(-2)	 HS-            1.0     S
-S(+2)	 S2O3-2		0.0	S
-S(+3)	 S2O4-2		0.0	S
-S(+4)	 SO3-2		0.0	S
-S(+5)	 S2O5-2		0.0	S
-S(+6)	 SO4-2          0.0     SO4
-S(+7)	 S2O8-2		0.0	S
-S(+8)	 HSO5-		0.0	S
-Sb	 Sb(OH)3	0.0	Sb		121.75
-Sc	 Sc+3		0.0	Sc		44.9559
-Se	 SeO3-2		0.0	Se		78.96
-Se(-2)	 HSe-		0.0	Se
-Se(+4)	 SeO3-2		0.0	Se
-Se(+6)	 SeO4-2		0.0	Se
-Si       SiO2           0.0     SiO2            28.0855
-Sm	 Sm+3		0.0	Sm		150.36
-Sm(+2)	 Sm+2		0.0	Sm
-Sm(+3)	 Sm+3		0.0	Sm
-Sn	 Sn+2		0.0	Sn		118.71
-Sn(+2)	 Sn+2		0.0	Sn
-Sn(+4)	 Sn+4		0.0	Sn
-Sr       Sr+2           0.0     Sr              87.62
-Tb	 Tb+3		0.0	Tb		158.9253
-Tb(+2)	 Tb+2		0.0	Tb
-Tb(+3)	 Tb+3		0.0	Tb
-Tc	 TcO4-		0.0	Tc		98.00
-Tc(+3)	 Tc+3		0.0	Tc
-Tc(+4)	 TcO+2		0.0	Tc
-Tc(+5)	 TcO4-3		0.0	Tc
-Tc(+6)	 TcO4-2		0.0	Tc
-Tc(+7)	 TcO4-		0.0	Tc
-Thiocyanate Thiocyanate- 0.0    SCN             58.
-Th	 Th+4		0.0	Th		232.0381
-Ti	 Ti(OH)4	0.0	Ti		47.88
-Tl	 Tl+		0.0	Tl		204.3833
-Tl(+1)	 Tl+		0.0	Tl
-Tl(+3)	 Tl+3		0.0	Tl
-Tm	 Tm+3		0.0	Tm		168.9342
-Tm(+2)	 Tm+2		0.0	Tm
-Tm(+3)	 Tm+3		0.0	Tm
-U	 UO2+2		0.0	U		238.0289
-U(+3)	 U+3		0.0	U
-U(+4)	 U+4		0.0	U
-U(+5)	 UO2+		0.0	U
-U(+6)	 UO2+2		0.0	U
-V	 VO+2		0.0	V		50.9415
-V(+3)	 V+3		0.0	V
-V(+4)	 VO+2		0.0	V
-V(+5)	 VO2+		0.0	V
-W	 WO4-2		0.0	W		183.85
-Xe	 Xe		0.0	Xe		131.29
-Xe(0)	 Xe		0.0	Xe
-Y	 Y+3		0.0	Y		88.9059
-Yb	 Yb+3		0.0	Yb		173.04
-Yb(+2)	 Yb+2		0.0	Yb
-Yb(+3)	 Yb+3		0.0	Yb
-Zn       Zn+2           0.0     Zn              65.39
-Zr	 Zr(OH)2+2	0.0	Zr		91.224
-
-SOLUTION_SPECIES
-
-#HAcetate =  HAcetate 
-#	-llnl_gamma	3.0000	
-#	log_k 0
-#	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HAcetate
-#	Enthalpy of formation:	-116.1 kcal/mol
-CH3COO- = CH3COO-
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	CH3COO-
-#	Enthalpy of formation:	-116.374 kcal/mol
-Ag+ =  Ag+ 
-	-llnl_gamma	2.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ag+
-#	Enthalpy of formation:	25.275 kcal/mol
-Al+3 =  Al+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Al+3
-#	Enthalpy of formation:	-128.681 kcal/mol
-Am+3 =  Am+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Am+3
-#	Enthalpy of formation:	-616.7 kJ/mol
-Ar =  Ar 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ar
-#	Enthalpy of formation:	-2.87 kcal/mol
-Au+ =  Au+ 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Au+
-#	Enthalpy of formation:	47.58 kcal/mol
-B(OH)3 =  B(OH)3 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	B(OH)3
-#	Enthalpy of formation:	-256.82 kcal/mol
-Ba+2 =  Ba+2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
-#	Enthalpy of formation:	-128.5 kcal/mol
-Be+2 =  Be+2 
-	-llnl_gamma	8.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Be+2
-#	Enthalpy of formation:	-91.5 kcal/mol
-Br- =  Br- 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Br-
-#	Enthalpy of formation:	-29.04 kcal/mol
-Ca+2 =  Ca+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ca+2
-#	Enthalpy of formation:	-129.8 kcal/mol
-Cd+2 =  Cd+2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
-#	Enthalpy of formation:	-18.14 kcal/mol
-Ce+3 =  Ce+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
-#	Enthalpy of formation:	-167.4 kcal/mol
-Cl- =  Cl- 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cl-
-#	Enthalpy of formation:	-39.933 kcal/mol
-Co+2 =  Co+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Co+2
-#	Enthalpy of formation:	-13.9 kcal/mol
-CrO4-2 =  CrO4-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	CrO4-2
-#	Enthalpy of formation:	-210.6 kcal/mol
-Cs+ =  Cs+ 
-	-llnl_gamma	2.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cs+
-#	Enthalpy of formation:	-61.67 kcal/mol
-Cu+2 =  Cu+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cu+2
-#	Enthalpy of formation:	15.7 kcal/mol
-Dy+3 =  Dy+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Dy+3
-#	Enthalpy of formation:	-166.5 kcal/mol
-e- =  e- 
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	e-
-#	Enthalpy of formation:	-0 kJ/mol
-Er+3 =  Er+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Er+3
-#	Enthalpy of formation:	-168.5 kcal/mol
-#Ethylene =  Ethylene 
-#	-llnl_gamma	3.0000	
-#	log_k 0
-#	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ethylene
-#	Enthalpy of formation:	8.57 kcal/mol
-Eu+3 =  Eu+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Eu+3
-#	Enthalpy of formation:	-144.7 kcal/mol
-F- =  F- 
-	-llnl_gamma	3.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	F-
-#	Enthalpy of formation:	-80.15 kcal/mol
-Fe+2 =  Fe+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Fe+2
-#	Enthalpy of formation:	-22.05 kcal/mol
-Ga+3 =  Ga+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ga+3
-#	Enthalpy of formation:	-50.6 kcal/mol
-Gd+3 =  Gd+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Gd+3
-#	Enthalpy of formation:	-164.2 kcal/mol
-H+ =  H+ 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H+
-#	Enthalpy of formation:	-0 kJ/mol
-He =  He 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	He
-#	Enthalpy of formation:	-0.15 kcal/mol
-H2AsO4- =  H2AsO4- 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2AsO4-
-#	Enthalpy of formation:	-217.39 kcal/mol
-HCO3- =  HCO3- 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HCO3-
-#	Enthalpy of formation:	-164.898 kcal/mol
-HPO4-2 =  HPO4-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HPO4-2
-#	Enthalpy of formation:	-308.815 kcal/mol
-Hf+4 =  Hf+4 
-	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf+4
-#	Enthalpy of formation:	-0 kcal/mol
-Hg+2 =  Hg+2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Hg+2
-#	Enthalpy of formation:	40.67 kcal/mol
-Ho+3 =  Ho+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ho+3
-#	Enthalpy of formation:	-169 kcal/mol
-I- =  I- 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	I-
-#	Enthalpy of formation:	-13.6 kcal/mol
-In+3 =  In+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	In+3
-#	Enthalpy of formation:	-25 kcal/mol
-K+ =  K+ 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	K+
-#	Enthalpy of formation:	-60.27 kcal/mol
-Kr =  Kr 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Kr
-#	Enthalpy of formation:	-3.65 kcal/mol
-La+3 =  La+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	La+3
-#	Enthalpy of formation:	-169.6 kcal/mol
-Li+ =  Li+ 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Li+
-#	Enthalpy of formation:	-66.552 kcal/mol
-Lu+3 =  Lu+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Lu+3
-#	Enthalpy of formation:	-167.9 kcal/mol
-Mg+2 =  Mg+2 
-	-llnl_gamma	8.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mg+2
-#	Enthalpy of formation:	-111.367 kcal/mol
-Mn+2 =  Mn+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mn+2
-#	Enthalpy of formation:	-52.724 kcal/mol
-MoO4-2 =  MoO4-2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	MoO4-2
-#	Enthalpy of formation:	-238.5 kcal/mol
-NH3 =  NH3 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	NH3
-#	Enthalpy of formation:	-19.44 kcal/mol
-Na+ =  Na+ 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Na+
-#	Enthalpy of formation:	-57.433 kcal/mol
-Nd+3 =  Nd+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Nd+3
-#	Enthalpy of formation:	-166.5 kcal/mol
-Ne =  Ne 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ne
-#	Enthalpy of formation:	-0.87 kcal/mol
-Ni+2 =  Ni+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ni+2
-#	Enthalpy of formation:	-12.9 kcal/mol
-Np+4 =  Np+4 
-	-llnl_gamma	5.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Np+4
-#	Enthalpy of formation:	-556.001 kJ/mol
-H2O =  H2O 
-	-llnl_gamma	3.0000	
-        log_k   0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2O
-#	Enthalpy of formation:	-68.317 kcal/mol
-O_phthalate-2 =  O_phthalate-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O_phthalate-2
-#	Enthalpy of formation:	-0 kcal/mol
-Pb+2 =  Pb+2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
-#	Enthalpy of formation:	0.22 kcal/mol
-Pd+2 =  Pd+2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pd+2
-#	Enthalpy of formation:	42.08 kcal/mol
-Pm+3 =  Pm+3 
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pm+3
-#	Enthalpy of formation:	-688 kJ/mol
-Pr+3 =  Pr+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pr+3
-#	Enthalpy of formation:	-168.8 kcal/mol
-Pu+4 =  Pu+4 
-	-llnl_gamma	5.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pu+4
-#	Enthalpy of formation:	-535.893 kJ/mol
-Ra+2 =  Ra+2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ra+2
-#	Enthalpy of formation:	-126.1 kcal/mol
-Rb+ =  Rb+ 
-	-llnl_gamma	2.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rb+
-#	Enthalpy of formation:	-60.02 kcal/mol
-ReO4- =  ReO4- 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	ReO4-
-#	Enthalpy of formation:	-188.2 kcal/mol
-Rn =  Rn 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rn
-#	Enthalpy of formation:	-5 kcal/mol
-RuO4-2 =  RuO4-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	RuO4-2
-#	Enthalpy of formation:	-457.075 kJ/mol
-SO4-2 =  SO4-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SO4-2
-#	Enthalpy of formation:	-217.4 kcal/mol
-Sb(OH)3 =  Sb(OH)3 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sb(OH)3
-#	Enthalpy of formation:	-773.789 kJ/mol
-Sc+3 =  Sc+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sc+3
-#	Enthalpy of formation:	-146.8 kcal/mol
-SeO3-2 =  SeO3-2 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SeO3-2
-#	Enthalpy of formation:	-121.7 kcal/mol
-SiO2 =  SiO2 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SiO2
-#	Enthalpy of formation:	-209.775 kcal/mol
-Sm+3 =  Sm+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sm+3
-#	Enthalpy of formation:	-165.2 kcal/mol
-Sn+2 =  Sn+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sn+2
-#	Enthalpy of formation:	-2.1 kcal/mol
-Sr+2 =  Sr+2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
-#	Enthalpy of formation:	-131.67 kcal/mol
-Tb+3 =  Tb+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tb+3
-#	Enthalpy of formation:	-166.9 kcal/mol
-TcO4- =  TcO4- 
-	-llnl_gamma	4.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	TcO4-
-#	Enthalpy of formation:	-716.269 kJ/mol
-Th+4 =  Th+4 
-	-llnl_gamma	11.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Th+4
-#	Enthalpy of formation:	-183.8 kcal/mol
-Ti(OH)4 =  Ti(OH)4 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(OH)4
-#	Enthalpy of formation:	-0 kcal/mol
-Tl+ =  Tl+ 
-	-llnl_gamma	2.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tl+
-#	Enthalpy of formation:	1.28 kcal/mol
-Tm+3 =  Tm+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tm+3
-#	Enthalpy of formation:	-168.5 kcal/mol
-UO2+2 =  UO2+2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	UO2+2
-#	Enthalpy of formation:	-1019 kJ/mol
-VO+2 =  VO+2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	VO+2
-#	Enthalpy of formation:	-116.3 kcal/mol
-WO4-2 =  WO4-2 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	WO4-2
-#	Enthalpy of formation:	-257.1 kcal/mol
-Xe =  Xe 
-	-llnl_gamma	3.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Xe
-#	Enthalpy of formation:	-4.51 kcal/mol
-Y+3 =  Y+3 
-	-llnl_gamma	9.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Y+3
-#	Enthalpy of formation:	-170.9 kcal/mol
-Yb+3 =  Yb+3 
-	-llnl_gamma	5.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Yb+3
-#	Enthalpy of formation:	-160.3 kcal/mol
-Zn+2 =  Zn+2 
-	-llnl_gamma	6.0000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zn+2
-#	Enthalpy of formation:	-36.66 kcal/mol
-Zr(OH)2+2 =  Zr(OH)2+2 
-	-llnl_gamma	4.5000	
-	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zr(OH)2+2
-#	Enthalpy of formation:	-260.717 kcal/mol
-
-2H2O =  O2 + 4H+ + 4e-  
-	-CO2_llnl_gamma
- 	log_k      -85.9951
-	-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
-#	Enthalpy of formation:	-2.9 kcal/mol
-        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
-#       -Range:  0-300
-
- 1.0000 SO4-- + 1.0000 H+  =  HS- +2.0000 O2  
-        -llnl_gamma           3.5    
-        log_k           -138.3169
-	-delta_H	869.226	kJ/mol	# Calculated enthalpy of reaction	HS-
-#	Enthalpy of formation:	-3.85 kcal/mol
-        -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005
-#       -Range:  0-300
-
- .5000 O2 + 2.0000 HS-  = S2--  + H2O
-#2 HS- = S2-- +2 H+ + 2e-
-        -llnl_gamma           4.0    
-        log_k           33.2673
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.21730E+02   -0.12307E-02    0.10098E+05   -0.88813E+01    0.15757E+03
-	-mass_balance	S(-2)2
-#       -Range:  0-300
-#	-add_logk	Log_K_O2	0.5
-
-2.0000 H+  + 2.0000 SO3--  = S2O3--  + O2  + H2O
-        -llnl_gamma           4.0    
-        log_k           -40.2906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O3-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic  0.77679E+02    0.65761E-01   -0.15438E+05   -0.34651E+02   -0.24092E+03
-#       -Range:  0-300
-
- 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2  =  Ag++ +0.5000 H2O 
-        -llnl_gamma           4.5    
-        log_k           -12.1244
-	-delta_H	22.9764	kJ/mol	# Calculated enthalpy of reaction	Ag+2
-#	Enthalpy of formation:	64.2 kcal/mol
-        -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000
-#       -Range:  0-300
-
- 1.0000 Am+++ + 0.5000 H2O  =  Am++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -60.3792
-	-delta_H	401.953	kJ/mol	# Calculated enthalpy of reaction	Am+2
-#	Enthalpy of formation:	-354.633 kJ/mol
-        -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002
-#       -Range:  0-300
-
- 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2  =  Am++++ +0.5000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -22.7073
-	-delta_H	70.8142	kJ/mol	# Calculated enthalpy of reaction	Am+4
-#	Enthalpy of formation:	-406 kJ/mol
-        -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001
-#       -Range:  0-300
-
- 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2  =  AmO2+ +2.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -15.384
-	-delta_H	104.345	kJ/mol	# Calculated enthalpy of reaction	AmO2+
-#	Enthalpy of formation:	-804.26 kJ/mol
-        -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005
-#       -Range:  0-300
-
- 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O  =  AmO2++ +1.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           -20.862
-	-delta_H	117.959	kJ/mol	# Calculated enthalpy of reaction	AmO2+2
-#	Enthalpy of formation:	-650.76 kJ/mol
-        -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002
-#       -Range:  0-300
-
- 1.0000 H2AsO4- + 1.0000 H+  =  AsH3 +2.0000 O2  
-        -llnl_gamma           3.0    
-        log_k           -155.1907
-	-delta_H	931.183	kJ/mol	# Calculated enthalpy of reaction	AsH3
-#	Enthalpy of formation:	10.968 kcal/mol
-        -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002
-#       -Range:  0-200
-
- 2.0000 H+ + 1.0000 Au+ + 0.5000 O2  =  Au+++ +1.0000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -4.3506
-	-delta_H	-73.2911	kJ/mol	# Calculated enthalpy of reaction	Au+3
-#	Enthalpy of formation:	96.93 kcal/mol
-        -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001
-#       -Range:  0-300
-
- 1.0000 H2O + 1.0000 B(OH)3  =  BH4- +2.0000 O2 +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -237.1028
-	-delta_H	1384.24	kJ/mol	# Calculated enthalpy of reaction	BH4-
-#	Enthalpy of formation:	48.131 kJ/mol
-        -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003
-#       -Range:  0-300
-
- 3.0000 Br- + 2.0000 H+ + 0.5000 O2  =  Br3- +1.0000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +7.0696
-	-delta_H	-45.6767	kJ/mol	# Calculated enthalpy of reaction	Br3-
-#	Enthalpy of formation:	-31.17 kcal/mol
-        -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000
-#       -Range:  0-300
-
- 1.0000 Br- + 0.5000 O2  =  BrO-   
-        -llnl_gamma           4.0    
-        log_k           -10.9167
-	-delta_H	33.4302	kJ/mol	# Calculated enthalpy of reaction	BrO-
-#	Enthalpy of formation:	-22.5 kcal/mol
-        -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001
-#       -Range:  0-300
-
- 1.5000 O2 + 1.0000 Br-  =  BrO3-   
-        -llnl_gamma           3.5    
-        log_k           -17.1443
-	-delta_H	72.6342	kJ/mol	# Calculated enthalpy of reaction	BrO3-
-#	Enthalpy of formation:	-16.03 kcal/mol
-        -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005
-#       -Range:  0-300
-
- 2.0000 O2 + 1.0000 Br-  =  BrO4-   
-        -llnl_gamma           4.0    
-        log_k           -33.104
-	-delta_H	158.741	kJ/mol	# Calculated enthalpy of reaction	BrO4-
-#	Enthalpy of formation:	3.1 kcal/mol
-        -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002
-#       -Range:  0-300
-
-#  1.0000 NH3 + 1.0000 HCO3-  =  CN- +2.0000 H2O +0.5000 O2 
-#         -llnl_gamma           3.0    
-#         log_k           -56.0505
-# 	-delta_H	344.151	kJ/mol	# Calculated enthalpy of reaction	CN-
-# #	Enthalpy of formation:	36 kcal/mol
-#         -analytic -1.1174e+001 3.8167e-003 -1.7063e+004 4.5349e+000 -2.6625e+002
-# #       -Range:  0-300
-
-Cyanide- = Cyanide-
-	log_k  0
-
- H+  + HCO3-  + H2O  = CH4 + 2.0000 O2
-        -llnl_gamma           3.0    
-        log_k            -144.1412
-	-delta_H	863.599	kJ/mol	# Calculated enthalpy of reaction	CH4
-#	Enthalpy of formation:	-21.01 kcal/mol
-	-analytic    -0.41698E+02    0.36584E-01   -0.40675E+05    0.93479E+01   -0.63468E+03
-#       -Range:  0-300
-
- 2.0000 H+  + 2.0000 HCO3-  + H2O  = C2H6  + 3.5000 O2
-        -llnl_gamma           3.0    
-        log_k            -228.6072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	C2H6
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic    0.10777E+02    0.72105E-01   -0.67489E+05   -0.13915E+02   -0.10531E+04
-#       -Range:  0-300
-
- 2.000 H+  + 2.0000 HCO3-  = C2H4 + 3.0000 O2
-        -llnl_gamma           3.0    
-        log_k            -254.5034
-	-delta_H	1446.6	kJ/mol	# Calculated enthalpy of reaction	C2H4
-#	Enthalpy of formation:	24.65 kcal/mol
-        -analytic    -0.30329E+02    0.71187E-01   -0.73140E+05    0.00000E+00    0.00000E+00
-#       -Range:  0-300
-
- 1.0000 HCO3- + 1.0000 H+  =  CO +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           3.0    
-        log_k           -41.7002
-	-delta_H	277.069	kJ/mol	# Calculated enthalpy of reaction	CO
-#	Enthalpy of formation:	-28.91 kcal/mol
-        -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005
-#       -Range:  0-300
-
- 1.0000 Ce+++ + 0.5000 H2O  =  Ce++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -83.6754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2  =  Ce++++ +0.5000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -7.9154
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Cl- + 0.5000 O2  =  ClO-   
-        -llnl_gamma           4.0    
-        log_k           -15.1014
-	-delta_H	66.0361	kJ/mol	# Calculated enthalpy of reaction	ClO-
-#	Enthalpy of formation:	-25.6 kcal/mol
-        -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001
-#       -Range:  0-300
-
- 1.0000 O2 + 1.0000 Cl-  =  ClO2-   
-        -llnl_gamma           4.0    
-        log_k           -23.108
-	-delta_H	112.688	kJ/mol	# Calculated enthalpy of reaction	ClO2-
-#	Enthalpy of formation:	-15.9 kcal/mol
-        -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005
-#       -Range:  0-300
-
- 1.5000 O2 + 1.0000 Cl-  =  ClO3-   
-        -llnl_gamma           3.5    
-        log_k           -17.2608
-	-delta_H	81.3077	kJ/mol	# Calculated enthalpy of reaction	ClO3-
-#	Enthalpy of formation:	-24.85 kcal/mol
-        -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005
-#       -Range:  0-300
-
- 2.0000 O2 + 1.0000 Cl-  =  ClO4-   
-        -llnl_gamma           3.5    
-        log_k           -15.7091
-	-delta_H	62.0194	kJ/mol	# Calculated enthalpy of reaction	ClO4-
-#	Enthalpy of formation:	-30.91 kcal/mol
-        -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005
-#       -Range:  0-300
-
- 1.0000 H+ + 1.0000 Co++ + 0.2500 O2  =  Co+++ +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -11.4845
-	-delta_H	10.3198	kJ/mol	# Calculated enthalpy of reaction	Co+3
-#	Enthalpy of formation:	22 kcal/mol
-        -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001
-#       -Range:  0-300
-
- 4.0000 H+ + 1.0000 CrO4--  =  Cr++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           4.5    
-        log_k           -21.6373
-	-delta_H	153.829	kJ/mol	# Calculated enthalpy of reaction	Cr+2
-#	Enthalpy of formation:	-34.3 kcal/mol
-        -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002
-#       -Range:  0-300
-
- 5.0000 H+ + 1.0000 CrO4--  =  Cr+++ +2.5000 H2O +0.7500 O2 
-        -llnl_gamma           9.0    
-        log_k           +8.3842
-	-delta_H	-81.0336	kJ/mol	# Calculated enthalpy of reaction	Cr+3
-#	Enthalpy of formation:	-57 kcal/mol
-        -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001
-#       -Range:  0-300
-
- 0.5000 H2O + 1.0000 CrO4--  =  CrO4--- +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -19.7709
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO4-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Cu++ + 0.5000 H2O  =  Cu+ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -18.7704
-	-delta_H	145.877	kJ/mol	# Calculated enthalpy of reaction	Cu+
-#	Enthalpy of formation:	17.132 kcal/mol
-        -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002
-#       -Range:  0-300
-
- 1.0000 Dy+++ + 0.5000 H2O  =  Dy++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -61.0754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Er+++ + 0.5000 H2O  =  Er++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -70.1754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Eu+++ + 0.5000 H2O  =  Eu++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -27.5115
-	-delta_H	217.708	kJ/mol	# Calculated enthalpy of reaction	Eu+2
-#	Enthalpy of formation:	-126.1 kcal/mol
-        -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005
-#       -Range:  0-300
-
- 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2  =  Fe+++ +0.5000 H2O 
-        -llnl_gamma           9.0    
-        log_k           +8.4899
-	-delta_H	-97.209	kJ/mol	# Calculated enthalpy of reaction	Fe+3
-#	Enthalpy of formation:	-11.85 kcal/mol
-        -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001
-#       -Range:  0-300
-
- 1.0000 Gd+++ + 0.5000 H2O  =  Gd++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -84.6754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 H2O  =  H2 +0.5000 O2   
-	-CO2_llnl_gamma
-        log_k           -46.1066
-	-delta_H	275.588	kJ/mol	# Calculated enthalpy of reaction	H2
-#	Enthalpy of formation:	-1 kcal/mol
-        -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005
-#       -Range:  0-300
-
- 1.0000 H2AsO4-  =  H2AsO3- +0.5000 O2   
-        -llnl_gamma           4.0    
-        log_k           -30.5349
-	-delta_H	188.698	kJ/mol	# Calculated enthalpy of reaction	H2AsO3-
-#	Enthalpy of formation:	-170.84 kcal/mol
-        -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005
-#       -Range:  0-300
-
- 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2  =  HSO5-  
-        -llnl_gamma           4.0    
-        log_k           -17.2865
-	-delta_H	140.038	kJ/mol	# Calculated enthalpy of reaction	HSO5-
-#	Enthalpy of formation:	-185.38 kcal/mol
-        -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002
-#       -Range:  0-300
-
- 1.0000 SeO3-- + 1.0000 H+  =  HSe- +1.5000 O2  
-        -llnl_gamma           4.0    
-        log_k           -76.8418
-	-delta_H	506.892	kJ/mol	# Calculated enthalpy of reaction	HSe-
-#	Enthalpy of formation:	3.8 kcal/mol
-        -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005
-#       -Range:  0-300
-
- 2.0000 Hg++ + 1.0000 H2O  =  Hg2++ +2.0000 H+ +0.5000 O2 
-        -llnl_gamma           4.0    
-        log_k           -12.208
-	-delta_H	106.261	kJ/mol	# Calculated enthalpy of reaction	Hg2+2
-#	Enthalpy of formation:	39.87 kcal/mol
-        -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001
-#       -Range:  0-300
-
- 1.0000 Ho+++ + 0.5000 H2O  =  Ho++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -67.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 3.0000 I- + 2.0000 H+ + 0.5000 O2  =  I3- +1.0000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +24.7278
-	-delta_H	-160.528	kJ/mol	# Calculated enthalpy of reaction	I3-
-#	Enthalpy of formation:	-12.3 kcal/mol
-        -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001
-#       -Range:  0-300
-
- 1.0000 I- + 0.5000 O2  =  IO-   
-        -llnl_gamma           4.0    
-        log_k           -0.9038
-	-delta_H	-44.5596	kJ/mol	# Calculated enthalpy of reaction	IO-
-#	Enthalpy of formation:	-25.7 kcal/mol
-        -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005
-#       -Range:  0-300
-
- 1.5000 O2 + 1.0000 I-  =  IO3-   
-        -llnl_gamma           4.0    
-        log_k           +17.6809
-	-delta_H	-146.231	kJ/mol	# Calculated enthalpy of reaction	IO3-
-#	Enthalpy of formation:	-52.9 kcal/mol
-        -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005
-#       -Range:  0-300
-
- 2.0000 O2 + 1.0000 I-  =  IO4-   
-        -llnl_gamma           3.5    
-        log_k           +6.9621
-	-delta_H	-70.2912	kJ/mol	# Calculated enthalpy of reaction	IO4-
-#	Enthalpy of formation:	-36.2 kcal/mol
-        -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005
-#       -Range:  0-300
-
- 1.0000 La+++ + 0.5000 H2O  =  La++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -72.4754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2  =  Mn+++ +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -4.0811
-	-delta_H	-65.2892	kJ/mol	# Calculated enthalpy of reaction	Mn+3
-#	Enthalpy of formation:	-34.895 kcal/mol
-        -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001
-#       -Range:  0-300
-
- 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++  =  MnO4-- +4.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -32.4146
-	-delta_H	151.703	kJ/mol	# Calculated enthalpy of reaction	MnO4-2
-#	Enthalpy of formation:	-156 kcal/mol
-        -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002
-#       -Range:  0-300
-
- 2.0000 NH3 + 1.5000 O2  =  N2 +3.0000 H2O  
-        -llnl_gamma           3.0    
-        log_k           +116.4609
-	-delta_H	-687.08	kJ/mol	# Calculated enthalpy of reaction	N2
-#	Enthalpy of formation:	-2.495 kcal/mol
-        -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005
-#       -Range:  0-300
-
- 3.0000 NH3 + 2.0000 O2  =  N3- +4.0000 H2O +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +96.9680
-	-delta_H	-599.935	kJ/mol	# Calculated enthalpy of reaction	N3-
-#	Enthalpy of formation:	275.14 kJ/mol
-        -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005
-#       -Range:  0-300
-
- 1.5000 O2 + 1.0000 NH3  =  NO2- +1.0000 H+ +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +46.8653
-	-delta_H	-290.901	kJ/mol	# Calculated enthalpy of reaction	NO2-
-#	Enthalpy of formation:	-25 kcal/mol
-        -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004
-#       -Range:  0-300
-
- 2.0000 O2 + 1.0000 NH3  =  NO3- +1.0000 H+ +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +62.1001
-	-delta_H	-387.045	kJ/mol	# Calculated enthalpy of reaction	NO3-
-#	Enthalpy of formation:	-49.429 kcal/mol
-        -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005
-#       -Range:  0-300
-
- 1.0000 Nd+++ + 0.5000 H2O  =  Nd++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -64.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Np++++ + 0.5000 H2O  =  Np+++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -19.0131
-	-delta_H	168.787	kJ/mol	# Calculated enthalpy of reaction	Np+3
-#	Enthalpy of formation:	-527.1 kJ/mol
-        -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002
-#       -Range:  0-300
-
- 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2  =  NpO2+ +3.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +10.5928
-	-delta_H	9.80089	kJ/mol	# Calculated enthalpy of reaction	NpO2+
-#	Enthalpy of formation:	-977.991 kJ/mol
-        -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005
-#       -Range:  0-300
-
- 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2  =  NpO2++ +2.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           +11.2107
-	-delta_H	-12.5719	kJ/mol	# Calculated enthalpy of reaction	NpO2+2
-#	Enthalpy of formation:	-860.478 kJ/mol
-        -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005
-#       -Range:  0-300
-
- 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2  =  Pb++++ +1.0000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -14.1802
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pm+++ + 0.5000 H2O  =  Pm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -65.2754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pr+++ + 0.5000 H2O  =  Pr++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -79.9754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pu++++ + 0.5000 H2O  =  Pu+++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -4.5071
-	-delta_H	84.2268	kJ/mol	# Calculated enthalpy of reaction	Pu+3
-#	Enthalpy of formation:	-591.552 kJ/mol
-        -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004
-#       -Range:  0-300
-
- 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2  =  PuO2+ +3.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +2.9369
-	-delta_H	53.5009	kJ/mol	# Calculated enthalpy of reaction	PuO2+
-#	Enthalpy of formation:	-914.183 kJ/mol
-        -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005
-#       -Range:  0-300
-
- 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2  =  PuO2++ +2.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           +8.1273
-	-delta_H	6.22013	kJ/mol	# Calculated enthalpy of reaction	PuO2+2
-#	Enthalpy of formation:	-821.578 kJ/mol
-        -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005
-#       -Range:  0-300
-
- 4.0000 H+ + 1.0000 RuO4--  =  Ru(OH)2++ +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           4.5    
-        log_k           +25.2470
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           4.5    
-        log_k           +0.1610
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 5.0000 H+ + 1.0000 RuO4--  =  Ru+++ +2.5000 H2O +0.7500 O2 
-        -llnl_gamma           5.0    
-        log_k           +17.6149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2  =  RuO4 +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +16.2672
-	-delta_H	-60.8385	kJ/mol	# Calculated enthalpy of reaction	RuO4
-#	Enthalpy of formation:	-238.142 kJ/mol
-        -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001
-#       -Range:  0-200
-
- 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2  =  RuO4- +0.5000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +11.6024
-	-delta_H	-16.1998	kJ/mol	# Calculated enthalpy of reaction	RuO4-
-#	Enthalpy of formation:	-333.389 kJ/mol
-        -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001
-#       -Range:  0-300
-
- 2.0000 H+  + 2.0000 SO3--  = S2O4--  + .500 O2  + H2O
-        -llnl_gamma           5.0    
-#        log_k           -25.2075
-        log_k           -25.2076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O4-2
-#	Enthalpy of formation:	-0 kcal/mol
-#        -analytic  -0.15158E+05   -0.31356E+01    0.47072E+06    0.58544E+04    0.73497E+04
-	-analytic	-2.3172e2	2.0393e-3	-7.1011e0	8.3239e1	9.4155e-1
-#	changed 3/23/04, corrected to supcrt temperature dependence, GMA
-#       -Range:  0-300
-
-# 2.0000 SO3--  + .500 O2  + 2.0000 H+  = S2O6--  + H2O
-#  H2O = .5 O2 + 2H+ + 2e- 
-2SO3-- = S2O6-- + 2e-
-        -llnl_gamma           4.0    
-        log_k           41.8289
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O6-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.14458E+03    0.61449E-01    0.71877E+04   -0.58657E+02    0.11211E+03
-#       -Range:  0-300
-	-add_logk  Log_K_O2	0.5
-
-
- 2.0000 SO3--  + 1.500 O2  + 2.0000 H+  = S2O8--  + H2O
-        -llnl_gamma           4.0    
-        log_k           70.7489
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O8-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.18394E+03    0.60414E-01    0.13864E+05   -0.71804E+02    0.21628E+03
-#       -Range:  0-300
-
-O2 + H+ + 3.0000 HS-  = S3--  + 2.0000 H2O
-# 2H2O = O2 + 4H+ + 4e-
-#3HS- = S3-- + 3H+ + 4e-
-        -llnl_gamma           4.0    
-        log_k           79.3915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -0.51626E+02    0.70208E-02    0.31797E+05    0.11927E+02   -0.64249E+06
-	-mass_balance	S(-2)3
-#       -Range:  0-300
-#	-add_logk  Log_K_O2	1.0
-
-# 3.0000 SO3--  + 4.0000 H+  = S3O6-- + .500 O2 + 2.0000 H2O
-# .5 O2 + 2H+ + 2e- = H2O
-3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O
-        -llnl_gamma           4.0    
-        log_k           -6.2316
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3O6-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.23664E+03    0.12702E+00   -0.10110E+05   -0.99715E+02   -0.15783E+03
-#       -Range:  0-300
-	-add_logk	Log_K_O2	-0.5
-
-1.5000 O2 + 2.0000 H+ + 4.0000 HS-  = S4--  + 3.0000 H2O
-#4 HS- = S4-- + 4H+ + 6e-
-        -llnl_gamma           4.0    
-        log_k           125.2958
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.20875E+03    0.58133E-01    0.33278E+05   -0.85833E+02    0.51921E+03
-	-mass_balance	S(-2)4
-#       -Range:  0-300
-#	-add_logk	Log_K_O2	1.5
-
-# 4.0000 SO3-- + 6.0000 H+  = S4O6-- + 1.500 O2 + 3.0000 H2O
-4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O
-        -llnl_gamma           4.0    
-        log_k           -38.3859
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4O6-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.32239E+03    0.19555E+00   -0.23617E+05   -0.13729E+03   -0.36862E+03
-#       -Range:  0-300
-	-add_logk	Log_K_O2	-1.5
-
-2.0000 O2 + 3.0000 H+  + 5.0000 HS-  = S5--  + 4.0000 H2O
-#5 HS- = S5-- + 5H+ + 8e-
-        -llnl_gamma           4.0    
-        log_k           170.9802
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.30329E+03    0.88033E-01    0.44739E+05   -0.12471E+03    0.69803E+03
-	-mass_balance	S(-2)5
-#       -Range:  0-300
-#	-add_logk	Log_K_O2	2
-
-# 5.0000 SO3-- + 8.0000 H+  = S5O6-- + 2.5000 O2 + 4.0000 H2O
-# 2.5O2 + 10 H+ + 10e- = 5H2O
-5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O
-        -llnl_gamma           4.0    
-        log_k           -99.4206
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5O6-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.42074E+03    0.25833E+00   -0.43878E+05   -0.18178E+03   -0.68480E+03
-#       -Range:  0-300
-	-add_logk	Log_K_O2	-2.5
-
-# 1.0000 H+  + HCO3-  + HS-  + NH3 = SCN-  + 3.0000 H2O
-#        -llnl_gamma           3.5    
-#        log_k            3.0070
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SCN-
-##	Enthalpy of formation:	-0 kcal/mol
-#        -analytic  0.16539E+03    0.49623E-01   -0.44624E+04   -0.65544E+02   -0.69680E+02
-##       -Range:  0-300
-
-Thiocyanate- = Thiocyanate-
-	log_k  0.0
-
- 1.0000 SO4--  =  SO3-- +0.5000 O2   
-        -llnl_gamma           4.5    
-        log_k           -46.6244
-	-delta_H	267.985	kJ/mol	# Calculated enthalpy of reaction	SO3-2
-#	Enthalpy of formation:	-151.9 kcal/mol
-        -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002
-#       -Range:  0-300
-
-1.0000 HSe- =  Se-- + 1.0000 H+    
-        -llnl_gamma        4.0      
-        log_k           -14.9534
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Se-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.0244e+002    3.1346e-002   -5.4190e+003   -4.3871e+001   -8.4589e+001
-#       -Range:  0-300
-
- 1.0000 SeO3-- + 0.5000 O2  =  SeO4--   
-        -llnl_gamma           4.0    
-        log_k           +13.9836
-	-delta_H	-83.8892	kJ/mol	# Calculated enthalpy of reaction	SeO4-2
-#	Enthalpy of formation:	-143.2 kcal/mol
-        -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005
-#       -Range:  0-300
-
- 1.0000 Sm+++ + 0.5000 H2O  =  Sm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -47.9624
-	-delta_H	326.911	kJ/mol	# Calculated enthalpy of reaction	Sm+2
-#	Enthalpy of formation:	-120.5 kcal/mol
-        -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004
-#       -Range:  0-300
-
- 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2  =  Sn++++ +1.0000 H2O 
-        -llnl_gamma          11.0    
-        log_k           +37.7020
-	-delta_H	-240.739	kJ/mol	# Calculated enthalpy of reaction	Sn+4
-#	Enthalpy of formation:	7.229 kcal/mol
-        -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002
-#       -Range:  0-300
-
- 1.0000 Tb+++ + 0.5000 H2O  =  Tb++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -78.7754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 4.0000 H+ + 1.0000 TcO4-  =  Tc+++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           5.0    
-        log_k           -47.614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 3.0000 H+ + 1.0000 TcO4-  =  TcO++ +1.5000 H2O +0.7500 O2 
-        -llnl_gamma           4.5    
-        log_k           -31.5059
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 TcO4- + 0.5000 H2O  =  TcO4-- +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -31.8197
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 TcO4- + 1.0000 H2O  =  TcO4--- +2.0000 H+ +0.5000 O2 
-        -llnl_gamma           4.0    
-        log_k           -63.2889
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2  =  Tl+++ +1.0000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -0.2751
-	-delta_H	-88.479	kJ/mol	# Calculated enthalpy of reaction	Tl+3
-#	Enthalpy of formation:	47 kcal/mol
-        -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001
-#       -Range:  0-300
-
- 1.0000 Tm+++ + 0.5000 H2O  =  Tm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -58.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 UO2++ + 1.0000 H+  =  U+++ +0.7500 O2 +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -64.8028
-	-delta_H	377.881	kJ/mol	# Calculated enthalpy of reaction	U+3
-#	Enthalpy of formation:	-489.1 kJ/mol
-        -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005
-#       -Range:  0-300
-
- 2.0000 H+ + 1.0000 UO2++  =  U++++ +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           5.5    
-        log_k           -33.9491
-	-delta_H	135.895	kJ/mol	# Calculated enthalpy of reaction	U+4
-#	Enthalpy of formation:	-591.2 kJ/mol
-        -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005
-#       -Range:  0-300
-
- 1.0000 UO2++ + 0.5000 H2O  =  UO2+ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -20.0169
-	-delta_H	133.759	kJ/mol	# Calculated enthalpy of reaction	UO2+
-#	Enthalpy of formation:	-1025.13 kJ/mol
-        -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002
-#       -Range:  0-300
-
- 1.0000 VO++ + 1.0000 H+  =  V+++ +0.5000 H2O +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -15.7191
-	-delta_H	79.6069	kJ/mol	# Calculated enthalpy of reaction	V+3
-#	Enthalpy of formation:	-62.39 kcal/mol
-        -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001
-#       -Range:  0-300
-
- 1.0000 VO++ + 0.5000 H2O + 0.2500 O2  =  VO2+ +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +4.5774
-	-delta_H	-17.2234	kJ/mol	# Calculated enthalpy of reaction	VO2+
-#	Enthalpy of formation:	-155.3 kcal/mol
-        -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001
-#       -Range:  0-300
-
- 1.0000 VO2+ + 2.0000 H2O =  VO4--- +4.0000 H+  
-        -llnl_gamma        4.0      
-        log_k            -28.4475
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO4-3
-#	Enthalpy of formation:	-0 kcal/mol
-
- 1.0000 Yb+++ + 0.5000 H2O  =  Yb++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -39.4595
-	-delta_H	280.05	kJ/mol	# Calculated enthalpy of reaction	Yb+2
-#	Enthalpy of formation:	-126.8 kcal/mol
-        -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004
-#       -Range:  0-300
-
- 2.0000 H+ + 1.0000 Zr(OH)2++  =  Zr++++ +2.0000 H2O  
-        -llnl_gamma          11.0    
-        log_k           +0.2385
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr+4
-#	Enthalpy of formation:	-0 kcal/mol
-
-4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3  =  (NH4)2Sb2S4 +6.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +67.6490
-	-delta_H	-424.665	kJ/mol	# Calculated enthalpy of reaction	(NH4)2Sb2S4
-#	Enthalpy of formation:	-484.321 kJ/mol
-        -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002
-#       -Range:  0-200
-
-2.0000 NpO2++ + 2.0000 H2O  =  (NpO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.4
-	-delta_H	45.4397	kJ/mol	# Calculated enthalpy of reaction	(NpO2)2(OH)2+2
-#	Enthalpy of formation:	-537.092 kcal/mol
-        -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001
-#       -Range: 25-150
-
-5.0000 H2O + 3.0000 NpO2++  =  (NpO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.5
-	-delta_H	112.322	kJ/mol	# Calculated enthalpy of reaction	(NpO2)3(OH)5+
-#	Enthalpy of formation:	-931.717 kcal/mol
-        -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002
-#       -Range: 25-150
-
-2.0000 PuO2++ + 2.0000 H2O  =  (PuO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.2626
-	-delta_H	57.8597	kJ/mol	# Calculated enthalpy of reaction	(PuO2)2(OH)2+2
-#	Enthalpy of formation:	-2156.97 kJ/mol
-        -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001
-#       -Range:  0-300
-
-5.0000 H2O + 3.0000 PuO2++  =  (PuO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.655
-	-delta_H	139.617	kJ/mol	# Calculated enthalpy of reaction	(PuO2)3(OH)5+
-#	Enthalpy of formation:	-3754.31 kJ/mol
-        -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002
-#       -Range:  0-300
-
-4.0000 H2O + 2.0000 TcO++  =  (TcO(OH)2)2 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(TcO(OH)2)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3-  =  (UO2)11(CO3)6(OH)12-2 +18.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -25.7347
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)11(CO3)6(OH)12-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 UO2++ + 2.0000 H2O  =  (UO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -5.6346
-	-delta_H	37.6127	kJ/mol	# Calculated enthalpy of reaction	(UO2)2(OH)2+2
-#	Enthalpy of formation:	-2572.06 kJ/mol
-        -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001
-#       -Range:  0-300
-
-3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3-  =  (UO2)2CO3(OH)3- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.2229
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2CO3(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 UO2++ + 1.0000 H2O  =  (UO2)2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -2.7072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 HCO3- + 3.0000 UO2++  =  (UO2)3(CO3)6-6 +6.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.0601
-	-delta_H	25.5204	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(CO3)6-6
-#	Enthalpy of formation:	-7171.08 kJ/mol
-        -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002
-#       -Range:  0-300
-
-4.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)4++ +4.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -11.929
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.5862
-	-delta_H	97.1056	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(OH)5+
-#	Enthalpy of formation:	-4389.09 kJ/mol
-        -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002
-#       -Range:  0-300
-
-4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3-  =  (UO2)3(OH)5CO2+ +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.6194
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)5CO2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-7.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)7- +7.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31.0508
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)7-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3-  =  (UO2)3O(OH)2(HCO3)+ +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3O(OH)2(HCO3)+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-7.0000 H2O + 4.0000 UO2++  =  (UO2)4(OH)7+ +7.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.9508
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)4(OH)7+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 VO++ + 2.0000 H2O  =  (VO)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)2(OH)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-CH3COO- + H+ = CH3COOH 
-         -llnl_gamma         4.5         
-         log_k        4.7572
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CH3COOH
-#	Enthalpy of formation:	-0 kcal/mol
-         -analytic    0.96597E+02   0.34535E-01    -0.19753E+04    -0.38593E+02    -0.30850E+02
-#        -Range:  0-300
-
-H+ + 2.000 HCO3- = CH3COO- + 2.0000 O2
-	-llnl_gamma         4.5
-	log_k	-146.7494
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CH3COO-
-#	Enthalpy of formation:	-0 kcal/mol
-	-analytic	-1.3108E+03	-2.3248E-01	-4.5380E+01	4.9843E+02	6.5945E-01
-#       -Range:  0-300	
-
-2.0000 CH3COOH + 1.0000 Ag+  =  Ag(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.8716
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag(Acetate)2-
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Ag+  =  Ag(CO3)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.5062
-	-delta_H	1.34306	kJ/mol	# Calculated enthalpy of reaction	Ag(CO3)2-3
-#	Enthalpy of formation:	-304.2 kcal/mol
-        -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001
-#       -Range:  0-300
-
-1.0000 Ag+ + 1.0000 CH3COOH  =  AgCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.0264
-	-delta_H	-3.4518	kJ/mol	# Calculated enthalpy of reaction	AgAcetate
-#	Enthalpy of formation:	-91.65 kcal/mol
-        -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Ag+  =  AgCO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.6416
-	-delta_H	-8.27177	kJ/mol	# Calculated enthalpy of reaction	AgCO3-
-#	Enthalpy of formation:	-141.6 kcal/mol
-        -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000
-#       -Range:  0-300
-
-1.0000 Cl- + 1.0000 Ag+  =  AgCl
-        -llnl_gamma           3.0    
-        log_k           +3.2971
-	-delta_H	-15.1126	kJ/mol	# Calculated enthalpy of reaction	AgCl
-#	Enthalpy of formation:	-18.27 kcal/mol
-        -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Ag+  =  AgCl2-
-        -llnl_gamma           4.0    
-        log_k           +5.2989
-	-delta_H	-27.3592	kJ/mol	# Calculated enthalpy of reaction	AgCl2-
-#	Enthalpy of formation:	-61.13 kcal/mol
-        -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Ag+  =  AgCl3--
-        -llnl_gamma           4.0    
-        log_k           +5.1310
-	-delta_H	-47.7645	kJ/mol	# Calculated enthalpy of reaction	AgCl3-2
-#	Enthalpy of formation:	-105.94 kcal/mol
-        -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Ag+  =  AgCl4---
-        -llnl_gamma           4.0    
-        log_k           +3.8050
-	-delta_H	-32.4804	kJ/mol	# Calculated enthalpy of reaction	AgCl4-3
-#	Enthalpy of formation:	-142.22 kcal/mol
-        -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Ag+  =  AgF
-        -llnl_gamma           3.0    
-        log_k           -0.1668
-	-delta_H	-9.298	kJ/mol	# Calculated enthalpy of reaction	AgF
-#	Enthalpy of formation:	-238.895 kJ/mol
-        -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001
-#       -Range:  0-200
-
-1.0000 NO3- + 1.0000 Ag+  =  AgNO3
-        -llnl_gamma           3.0    
-        log_k           -0.1979
-	-delta_H	4.45178	kJ/mol	# Calculated enthalpy of reaction	AgNO3
-#	Enthalpy of formation:	-23.09 kcal/mol
-        -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Al+++  =  Al(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.595
-	-delta_H	-46.8566	kJ/mol	# Calculated enthalpy of reaction	Al(Acetate)2+
-#	Enthalpy of formation:	-372.08 kcal/mol
-        -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Al+++  =  Al(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.5945
-	-delta_H	98.2822	kJ/mol	# Calculated enthalpy of reaction	Al(OH)2+
-#	Enthalpy of formation:	-241.825 kcal/mol
-        -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001
-#       -Range:  0-300
-
-2.0000 SO4-- + 1.0000 Al+++  =  Al(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-28.0000 H2O + 13.0000 Al+++  =  Al13O4(OH)24+7 +32.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -98.73
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al13O4(OH)24+7
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Al+++  =  Al2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -7.6902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Al+++  =  Al3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -13.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al3(OH)4+5
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Al+++ + 1.0000 CH3COOH  =  AlCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.6923
-	-delta_H	-18.1962	kJ/mol	# Calculated enthalpy of reaction	AlAcetate+2
-#	Enthalpy of formation:	-249.13 kcal/mol
-        -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Al+++  =  AlF++
-        -llnl_gamma           4.5    
-        log_k           +7.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Al+++  =  AlF2+
-        -llnl_gamma           4.0    
-        log_k           +12.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Al+++  =  AlF3
-        -llnl_gamma           3.0    
-        log_k           +16.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Al+++  =  AlF4-
-        -llnl_gamma           4.0    
-        log_k           +19.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++  =  AlH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +3.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlH2PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Al+++  =  AlHPO4+
-        -llnl_gamma           4.0    
-        log_k           +7.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Al+++  =  AlO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.8833
-	-delta_H	180.899	kJ/mol	# Calculated enthalpy of reaction	AlO2-
-#	Enthalpy of formation:	-222.079 kcal/mol
-        -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Al+++  =  AlOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -4.9571
-	-delta_H	49.798	kJ/mol	# Calculated enthalpy of reaction	AlOH+2
-#	Enthalpy of formation:	-185.096 kcal/mol
-        -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 Al+++  =  AlSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.0100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.3868
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)3--- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.8302
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)3-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 Am++++  =  Am(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)5-6
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Am+++  =  Am(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -14.1145
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Am+++  =  Am(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.7218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Am+++  =  Am(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2407
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Am+++  =  AmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.5434
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cl- + 1.0000 Am+++  =  AmCl++
-        -llnl_gamma           4.5    
-        log_k           +1.0374
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCl+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 F- + 1.0000 Am+++  =  AmF++
-        -llnl_gamma           4.5    
-        log_k           +3.3601
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Am+++  =  AmF2+
-        -llnl_gamma           4.0    
-        log_k           +5.7204
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++  =  AmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +11.4119
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmH2PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 N3- + 1.0000 Am+++  =  AmN3++
-        -llnl_gamma           4.5    
-        log_k           +1.6699
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmN3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Am+++  =  AmNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.3104
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmNO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Am+++  =  AmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.4072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Am+++  =  AmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.7703
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO3- + 1.0000 H+  =  As(OH)3
-        -llnl_gamma           3.0    
-        log_k           +9.2048
-	-delta_H	-27.4054	kJ/mol	# Calculated enthalpy of reaction	As(OH)3
-#	Enthalpy of formation:	-742.2 kJ/mol
-        -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001
-#       -Range:  0-200
-
-1.0000 H2AsO3- = AsO2- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k            0.0111 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO2-
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.1509e+001   -1.7680e-002   -1.9261e+001    1.0841e+001   -2.9404e-001
-#       -Range:  0-300
-
-1.0000 H2AsO3-  =  AsO2OH-- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.0171
-	-delta_H	25.514	kJ/mol	# Calculated enthalpy of reaction	AsO2OH-2
-#	Enthalpy of formation:	-164.742 kcal/mol
-        -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002
-#       -Range:  0-300
-
-1.0000 H2AsO4- + 1.0000 F-  =  AsO3F-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +40.2451
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO3F-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO4-  =  AsO4--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.3604
-	-delta_H	21.4198	kJ/mol	# Calculated enthalpy of reaction	AsO4-3
-#	Enthalpy of formation:	-888.14 kJ/mol
-        -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Au+  =  Au(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.0013
-	-delta_H	-8.91192	kJ/mol	# Calculated enthalpy of reaction	Au(CH3COO)2-
-#	Enthalpy of formation:	-186.75 kcal/mol
-        -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002
-#       -Range:  0-300
-
-1.0000 Au+ + 1.0000 CH3COOH  =  AuCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.3174
-	-delta_H	0.87864	kJ/mol	# Calculated enthalpy of reaction	AuCH3COO
-#	Enthalpy of formation:	-68.31 kcal/mol
-        -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005
-#       -Range:  0-300
-
-2.0000 B(OH)3  =  B2O(OH)5- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.6851
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	B2O(OH)5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3  =  BF2(OH)2- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +6.6174
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BF2(OH)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3  =  BF3OH- +2.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +13.1908
-	-delta_H	-178.577	kJ/mol	# Calculated enthalpy of reaction	BF3OH-
-#	Enthalpy of formation:	-403.317 kcal/mol
-        -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002
-#       -Range:  0-300
-
-4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3  =  BF4- +3.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +18.0049
-	-delta_H	-16.4473	kJ/mol	# Calculated enthalpy of reaction	BF4-
-#	Enthalpy of formation:	-376.4 kcal/mol
-        -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001
-#       -Range:  0-300
-
-1.0000 B(OH)3  =  BO2- +1.0000 H+ +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -9.2449
-	-delta_H	16.3302	kJ/mol	# Calculated enthalpy of reaction	BO2-
-#	Enthalpy of formation:	-184.6 kcal/mol
-        -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Ba++  =  Ba(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.0118
-	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Ba(CH3COO)2
-#	Enthalpy of formation:	-358.01 kcal/mol
-        -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005
-#       -Range:  0-300
-
-1.0000 O_phthalate-2 + 1.0000 Ba++  =  Ba(O_phthalate)
-        -llnl_gamma           3.0    
-        log_k           +2.3300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ba(O_phthalate)
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3  =  BaB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.8012
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ba++ + 1.0000 CH3COOH  =  BaCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7677
-	-delta_H	7.322	kJ/mol	# Calculated enthalpy of reaction	BaCH3COO+
-#	Enthalpy of formation:	-242.85 kcal/mol
-        -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Ba++  =  BaCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.6834
-	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
-#	Enthalpy of formation:	-285.85 kcal/mol
-        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
-#       -Range:  0-300
-
-1.0000 Cl- + 1.0000 Ba++  =  BaCl+
-        -llnl_gamma           4.0    
-        log_k           -0.4977
-	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
-#	Enthalpy of formation:	-165.77 kcal/mol
-        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Ba++  =  BaF+
-        -llnl_gamma           4.0    
-        log_k           -0.1833
-	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
-#	Enthalpy of formation:	-206.51 kcal/mol
-        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
-#       -Range:  0-300
-
-1.0000 NO3- + 1.0000 Ba++  =  BaNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ba++  =  BaOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.47
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Be++  =  Be(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.8023
-	-delta_H	-52.4255	kJ/mol	# Calculated enthalpy of reaction	Be(CH3COO)2
-#	Enthalpy of formation:	-336.23 kcal/mol
-        -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005
-#       -Range:  0-300
-
-1.0000 Be++ + 1.0000 CH3COOH  =  BeCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.1079
-	-delta_H	-22.761	kJ/mol	# Calculated enthalpy of reaction	BeCH3COO+
-#	Enthalpy of formation:	-213.04 kcal/mol
-        -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Be++  =  BeO2-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.161
-	-delta_H	163.737	kJ/mol	# Calculated enthalpy of reaction	BeO2-2
-#	Enthalpy of formation:	-189 kcal/mol
-        -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002
-#       -Range:  0-300
-
-2.0000 H+ + 2.0000 Br- + 0.5000 O2  =  Br2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +5.6834
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Br2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 H+  =  CO2 +1.0000 H2O
-        -CO2_llnl_gamma
-        log_k           +6.3447
-	-delta_H	-9.7027	kJ/mol	# Calculated enthalpy of reaction	CO2
-#	Enthalpy of formation:	-98.9 kcal/mol
-        -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001
-#       -Range:  0-300
-
-1.0000 HCO3-  =  CO3-- +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -10.3288
-	-delta_H	14.6984	kJ/mol	# Calculated enthalpy of reaction	CO3-2
-#	Enthalpy of formation:	-161.385 kcal/mol
-        -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Ca++  =  Ca(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3814
-	-delta_H	-2.7196	kJ/mol	# Calculated enthalpy of reaction	Ca(CH3COO)2
-#	Enthalpy of formation:	-362.65 kcal/mol
-        -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005
-#       -Range:  0-300
-
-1.0000 O_phthalate-2 + 1.0000 Ca++  =  Ca(O_phthalate)
-        -llnl_gamma           3.0    
-        log_k           +2.4200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca(O_phthalate)
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3  =  CaB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.4222
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaB(OH)4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ca++ + 1.0000 CH3COOH  =  CaCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.8263
-	-delta_H	1.17152	kJ/mol	# Calculated enthalpy of reaction	CaCH3COO+
-#	Enthalpy of formation:	-245.62 kcal/mol
-        -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Ca++  =  CaCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.0017
-	-delta_H	30.5767	kJ/mol	# Calculated enthalpy of reaction	CaCO3
-#	Enthalpy of formation:	-287.39 kcal/mol
-        -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002
-#       -Range:  0-300
-
-1.0000 Cl- + 1.0000 Ca++  =  CaCl+
-        -llnl_gamma           4.0    
-        log_k           -0.6956
-	-delta_H	2.02087	kJ/mol	# Calculated enthalpy of reaction	CaCl+
-#	Enthalpy of formation:	-169.25 kcal/mol
-        -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Ca++  =  CaCl2
-        -llnl_gamma           3.0    
-        log_k           -0.6436
-	-delta_H	-5.8325	kJ/mol	# Calculated enthalpy of reaction	CaCl2
-#	Enthalpy of formation:	-211.06 kcal/mol
-        -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Ca++  =  CaF+
-        -llnl_gamma           4.0    
-        log_k           +0.6817
-	-delta_H	5.6484	kJ/mol	# Calculated enthalpy of reaction	CaF+
-#	Enthalpy of formation:	-208.6 kcal/mol
-        -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++  =  CaH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Ca++  =  CaHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.0467
-	-delta_H	1.45603	kJ/mol	# Calculated enthalpy of reaction	CaHCO3+
-#	Enthalpy of formation:	-294.35 kcal/mol
-        -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Ca++  =  CaHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.7400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Ca++  =  CaNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ca++  =  CaOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.85
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ca++  =  CaP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.0537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaP2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Ca++  =  CaPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.8618
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ca++  =  CaSO4
-        -llnl_gamma           3.0    
-        log_k           +2.1111
-	-delta_H	5.4392	kJ/mol	# Calculated enthalpy of reaction	CaSO4
-#	Enthalpy of formation:	-345.9 kcal/mol
-        -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.3625
-	-delta_H	-17.4891	kJ/mol	# Calculated enthalpy of reaction	Cd(CH3COO)2
-#	Enthalpy of formation:	-254.52 kcal/mol
-        -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.8558
-	-delta_H	-40.0409	kJ/mol	# Calculated enthalpy of reaction	Cd(CH3COO)3-
-#	Enthalpy of formation:	-376.01 kcal/mol
-        -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006
-#       -Range:  0-300
-
-4.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.9163
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(CH3COO)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)2
-         -llnl_gamma           3.0    
-         log_k           +10.3551
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)2
- #	Enthalpy of formation:	-0 kcal/mol
-  
- 3.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)3-
-         -llnl_gamma           4.0    
-         log_k           +14.8191
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)3-
- #	Enthalpy of formation:	-0 kcal/mol
-  
- 4.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)4--
-         -llnl_gamma           4.0    
-         log_k           +18.2670
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)4-2
- #	Enthalpy of formation:	-0 kcal/mol
- 
-
-2.0000 HCO3- + 1.0000 Cd++  =  Cd(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -14.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(CO3)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 N3- + 1.0000 Cd++  =  Cd(N3)2
-        -llnl_gamma           0.0    
-        log_k           +2.4606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 N3- + 1.0000 Cd++  =  Cd(N3)3-
-        -llnl_gamma           4.0    
-        log_k           +3.1263
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 N3- + 1.0000 Cd++  =  Cd(N3)4--
-        -llnl_gamma           4.0    
-        log_k           +3.4942
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)++
-        -llnl_gamma           4.5    
-        log_k           +2.5295
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(NH3)+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +4.8760
-	-delta_H	-27.6533	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)2+2
-#	Enthalpy of formation:	-266.225 kJ/mol
-        -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001
-#       -Range:  0-300
-
-4.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)4++
-        -llnl_gamma           4.5    
-        log_k           +7.2914
-	-delta_H	-49.0684	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)4+2
-#	Enthalpy of formation:	-450.314 kJ/mol
-        -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Cd++  =  Cd(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -20.3402
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Cd++  =  Cd(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Cd++  =  Cd(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -47.3303
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++  =  Cd(OH)Cl +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4328
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)Cl
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.8649
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)3-
-        -llnl_gamma           4.0    
-        log_k           +1.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cd++ + 1.0000 H2O  =  Cd2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -9.3851
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 4.0000 Cd++  =  Cd4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -362.1263
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd4(OH)4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cd++ + 1.0000 Br-  =  CdBr+
-        -llnl_gamma           4.0    
-        log_k           +2.1424
-	-delta_H	-3.35588	kJ/mol	# Calculated enthalpy of reaction	CdBr+
-#	Enthalpy of formation:	-200.757 kJ/mol
-        -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001
-#       -Range:  0-300
-
-2.0000 Br- + 1.0000 Cd++  =  CdBr2
-        -llnl_gamma           3.0    
-        log_k           +2.8614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Cd++  =  CdBr3-
-        -llnl_gamma           4.0    
-        log_k           +3.0968
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cd++ + 1.0000 CH3COOH  =  CdCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.8294
-	-delta_H	-7.02912	kJ/mol	# Calculated enthalpy of reaction	CdCH3COO+
-#	Enthalpy of formation:	-135.92 kcal/mol
-        -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005
-#       -Range:  0-300
-
-1.0000 Cd++ + 1.0000 Cyanide-  =  CdCyanide+
-        -llnl_gamma           4.0    
-        log_k           +5.3129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCyanide+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Cd++  =  CdCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cl- + 1.0000 Cd++  =  CdCl+
-        -llnl_gamma           4.0    
-        log_k           +2.7059
-	-delta_H	2.33843	kJ/mol	# Calculated enthalpy of reaction	CdCl+
-#	Enthalpy of formation:	-240.639 kJ/mol
-2.0000 Cl- + 1.0000 Cd++  =  CdCl2
-        -llnl_gamma           3.0    
-        log_k           +3.3384
-	-delta_H	5.1261	kJ/mol	# Calculated enthalpy of reaction	CdCl2
-#	Enthalpy of formation:	-404.931 kJ/mol
-        -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001
-#       -Range:  0-200
-
-3.0000 Cl- + 1.0000 Cd++  =  CdCl3-
-        -llnl_gamma           4.0    
-        log_k           +2.7112
-	-delta_H	15.9388	kJ/mol	# Calculated enthalpy of reaction	CdCl3-
-#	Enthalpy of formation:	-561.198 kJ/mol
-        -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Cd++  =  CdHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdHCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 I- + 1.0000 Cd++  =  CdI+
-        -llnl_gamma           4.0    
-        log_k           +2.0710
-	-delta_H	-9.02584	kJ/mol	# Calculated enthalpy of reaction	CdI+
-#	Enthalpy of formation:	-141.826 kJ/mol
-        -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001
-#       -Range:  0-300
-
-2.0000 I- + 1.0000 Cd++  =  CdI2
-        -llnl_gamma           3.0    
-        log_k           +3.4685
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Cd++  =  CdI3-
-        -llnl_gamma           4.0    
-        log_k           +4.5506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Cd++  =  CdI4--
-        -llnl_gamma           4.0    
-        log_k           +5.3524
-	-delta_H	-38.8566	kJ/mol	# Calculated enthalpy of reaction	CdI4-2
-#	Enthalpy of formation:	-342.364 kJ/mol
-        -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002
-#       -Range:  0-300
-
-1.0000 N3- + 1.0000 Cd++  =  CdN3+
-        -llnl_gamma           4.0    
-        log_k           +1.4970
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdN3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Cd++  =  CdNO2+
-        -llnl_gamma           4.0    
-        log_k           +2.3700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdNO2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cd++  =  CdOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0751
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Cd++  =  CdP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +4.8094
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdP2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Thiocyanate- + 1.0000 Cd++  =  CdThiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +1.3218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdThiocyanate+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Cd++  =  CdSO4
-        -llnl_gamma           3.0    
-        log_k           +0.0028
-	-delta_H	0.20436	kJ/mol	# Calculated enthalpy of reaction	CdSO4
-#	Enthalpy of formation:	-985.295 kJ/mol
-        -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000
-#       -Range:  0-200
-
-1.0000 SeO4-- + 1.0000 Cd++  =  CdSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.2700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdSeO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Ce+++  =  Ce(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.8159
-	-delta_H	-22.9702	kJ/mol	# Calculated enthalpy of reaction	Ce(CH3COO)2+
-#	Enthalpy of formation:	-405.09 kcal/mol
-        -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Ce+++  =  Ce(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.151
-	-delta_H	-38.7438	kJ/mol	# Calculated enthalpy of reaction	Ce(CH3COO)3
-#	Enthalpy of formation:	-524.96 kcal/mol
-        -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Ce+++  =  Ce(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.1576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Ce++++  =  Ce(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           +2.0098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.1437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Ce++++  =  Ce2(OH)2+6 +2.0000 H+
-        -llnl_gamma           6.0    
-        log_k           +3.0098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 3.0000 Ce+++  =  Ce3(OH)5++++ +5.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -33.4754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ce+++ + 1.0000 Br-  =  CeBr++
-        -llnl_gamma           4.5    
-        log_k           +0.3797
-	-delta_H	3.0585	kJ/mol	# Calculated enthalpy of reaction	CeBr+2
-#	Enthalpy of formation:	-195.709 kcal/mol
-        -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001
-#       -Range:  0-300
-
-1.0000 Ce+++ + 1.0000 CH3COOH  =  CeCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0304
-	-delta_H	-12.0918	kJ/mol	# Calculated enthalpy of reaction	CeCH3COO+2
-#	Enthalpy of formation:	-286.39 kcal/mol
-        -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Ce+++  =  CeCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.9284
-	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
-#	Enthalpy of formation:	-309.988 kcal/mol
-        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
-#       -Range:  0-300
-
-1.0000 Cl- + 1.0000 Ce+++  =  CeCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
-#	Enthalpy of formation:	-203.8 kcal/mol
-        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Ce+++  =  CeCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
-#	Enthalpy of formation:	-242.3 kcal/mol
-        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Ce+++  =  CeCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
-#	Enthalpy of formation:	-283.5 kcal/mol
-        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Ce+++  =  CeCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
-#	Enthalpy of formation:	-327.6 kcal/mol
-        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
-#       -Range:  0-300
-
-1.0000 ClO4- + 1.0000 Ce+++  =  CeClO4++
-        -llnl_gamma           4.5    
-        log_k           +1.9102
-	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
-#	Enthalpy of formation:	-210.026 kcal/mol
-        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Ce+++  =  CeF++
-        -llnl_gamma           4.5    
-        log_k           +4.2221
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
-#	Enthalpy of formation:	-242 kcal/mol
-        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Ce+++  =  CeF2+
-        -llnl_gamma           4.0    
-        log_k           +7.2714
-	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
-#	Enthalpy of formation:	-324.1 kcal/mol
-        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Ce+++  =  CeF3
-        -llnl_gamma           3.0    
-        log_k           +9.5144
-	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
-#	Enthalpy of formation:	-409.3 kcal/mol
-        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Ce+++  =  CeF4-
-        -llnl_gamma           4.0    
-        log_k           +11.3909
-	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
-#	Enthalpy of formation:	-498.9 kcal/mol
-        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++  =  CeH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6684
-	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
-#	Enthalpy of formation:	-480.1 kcal/mol
-        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Ce+++  =  CeHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
-#	Enthalpy of formation:	-330.2 kcal/mol
-        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Ce+++  =  CeHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 IO3- + 1.0000 Ce+++  =  CeIO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9000
-	-delta_H	-21.1627	kJ/mol	# Calculated enthalpy of reaction	CeIO3+2
-#	Enthalpy of formation:	-225.358 kcal/mol
-        -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001
-#       -Range:  0-300
-
-1.0000 NO3- + 1.0000 Ce+++  =  CeNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.3143
-	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
-#	Enthalpy of formation:	-223.2 kcal/mol
-        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Ce+++  =  CeO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.4103
-	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
-#	Enthalpy of formation:	-208.9 kcal/mol
-        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Ce+++  =  CeO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -38.758
-	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
-#	Enthalpy of formation:	-230.3 kcal/mol
-        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Ce+++  =  CeO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.1503
-	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
-#	Enthalpy of formation:	-249.5 kcal/mol
-        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Ce+++  =  CeOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.4206
-	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
-#	Enthalpy of formation:	-218.2 kcal/mol
-        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Ce++++  =  CeOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +3.2049
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Ce+++  =  CePO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.9718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ce+++  =  CeSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
-#	Enthalpy of formation:	-380.2 kcal/mol
-        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Co++  =  Co(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.1468
-	-delta_H	-22.4262	kJ/mol	# Calculated enthalpy of reaction	Co(CH3COO)2
-#	Enthalpy of formation:	-251.46 kcal/mol
-        -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Co++  =  Co(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.281
-	-delta_H	-48.2415	kJ/mol	# Calculated enthalpy of reaction	Co(CH3COO)3-
-#	Enthalpy of formation:	-373.73 kcal/mol
-        -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006
-#       -Range:  0-300
-
-2.0000 HS- + 1.0000 Co++  =  Co(HS)2
-        -llnl_gamma           3.0    
-        log_k           +9.0306
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(HS)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Co++  =  Co(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -18.8
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Co++  =  Co(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -45.7803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 2.0000 Co++  =  Co2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -11.2
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 4.0000 Co++  =  Co4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -30.3803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co4(OH)4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Co++  =  CoBr2
-        -llnl_gamma           3.0    
-        log_k           -0.0358
-	-delta_H	-0.56568	kJ/mol	# Calculated enthalpy of reaction	CoBr2
-#	Enthalpy of formation:	-301.73 kJ/mol
-        -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000
-#       -Range:  0-200
-
-1.0000 Co++ + 1.0000 CH3COOH  =  CoCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2985
-	-delta_H	-8.70272	kJ/mol	# Calculated enthalpy of reaction	CoCH3COO+
-#	Enthalpy of formation:	-132.08 kcal/mol
-        -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005
-#       -Range:  0-300
-
-1.0000 Co++ + 1.0000 Cl-  =  CoCl+
-        -llnl_gamma           4.0    
-        log_k           +0.1547
-	-delta_H	1.71962	kJ/mol	# Calculated enthalpy of reaction	CoCl+
-#	Enthalpy of formation:	-53.422 kcal/mol
-        -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001
-#       -Range:  0-300
-
-1.0000 HS- + 1.0000 Co++  =  CoHS+
-        -llnl_gamma           4.0    
-        log_k           +5.9813
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHS+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Co++  =  CoI2
-        -llnl_gamma           3.0    
-        log_k           -0.0944
-	-delta_H	3.1774	kJ/mol	# Calculated enthalpy of reaction	CoI2
-#	Enthalpy of formation:	-168.785 kJ/mol
-        -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001
-#       -Range:  0-200
-
-1.0000 NO3- + 1.0000 Co++  =  CoNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Co++ + S2O3-- = CoS2O3
-        -llnl_gamma           3.0    
-        log_k            0.8063
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoS2O3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Co++  =  CoSO4
-        -llnl_gamma           3.0    
-        log_k           +0.0436
-	-delta_H	0.3842	kJ/mol	# Calculated enthalpy of reaction	CoSO4
-#	Enthalpy of formation:	-967.375 kJ/mol
-        -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000
-#       -Range:  0-200
-
-1.0000 SeO4-- + 1.0000 Co++  =  CoSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Cr+++  =  Cr(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Cr+++  =  Cr(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -18
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Cr+++  =  Cr(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -27.4
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Cr+++  =  Cr2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -5.06
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 2.0000 CrO4--  =  Cr2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +14.5192
-	-delta_H	-13.8783	kJ/mol	# Calculated enthalpy of reaction	Cr2O7-2
-#	Enthalpy of formation:	-356.2 kcal/mol
-        -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001
-#       -Range:  0-300
-
-4.0000 H2O + 3.0000 Cr+++  =  Cr3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -8.15
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr3(OH)4+5
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cr+++ + 1.0000 Br-  =  CrBr++
-        -llnl_gamma           4.5    
-        log_k           -2.7813
-	-delta_H	33.564	kJ/mol	# Calculated enthalpy of reaction	CrBr+2
-#	Enthalpy of formation:	-78.018 kcal/mol
-        -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001
-#       -Range:  0-300
-
-1.0000 Cr+++ + 1.0000 Cl-  =  CrCl++
-        -llnl_gamma           4.5    
-        log_k           -0.149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrCl+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cr+++  =  CrCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.1596
-	-delta_H	41.2919	kJ/mol	# Calculated enthalpy of reaction	CrCl2+
-#	Enthalpy of formation:	-126.997 kcal/mol
-        -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001
-#       -Range:  0-300
-
-1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           7.5270 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO3Cl-
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 2.7423e+002    1.0013e-001   -6.0072e+003   -1.1168e+002   -9.3817e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Cr+++  =  CrOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -4
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Cs+  =  Cs(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.771
-	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Cs(CH3COO)2-
-#	Enthalpy of formation:	-293.57 kcal/mol
-        -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001
-#       -Range:  0-300
-
-1.0000 Cs+ + 1.0000 Br-  =  CsBr
-        -llnl_gamma           3.0    
-        log_k           -0.2712
-	-delta_H	10.9621	kJ/mol	# Calculated enthalpy of reaction	CsBr
-#	Enthalpy of formation:	-88.09 kcal/mol
-        -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001
-#       -Range:  0-300
-
-1.0000 Cs+ + 1.0000 CH3COOH  =  CsCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.7352
-	-delta_H	6.0668	kJ/mol	# Calculated enthalpy of reaction	CsCH3COO
-#	Enthalpy of formation:	-176.32 kcal/mol
-        -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005
-#       -Range:  0-300
-
-1.0000 Cs+ + 1.0000 Cl-  =  CsCl
-        -llnl_gamma           3.0    
-        log_k           -0.1385
-	-delta_H	2.73215	kJ/mol	# Calculated enthalpy of reaction	CsCl
-#	Enthalpy of formation:	-100.95 kcal/mol
-        -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001
-#       -Range:  0-300
-
-1.0000 I- + 1.0000 Cs+  =  CsI
-        -llnl_gamma           3.0    
-        log_k           +0.2639
-	-delta_H	-6.56888	kJ/mol	# Calculated enthalpy of reaction	CsI
-#	Enthalpy of formation:	-76.84 kcal/mol
-        -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Cu++  =  Cu(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.8824
-	-delta_H	-25.899	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)2
-#	Enthalpy of formation:	-222.69 kcal/mol
-        -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Cu+  =  Cu(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.2139
-	-delta_H	-19.5476	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)2-
-#	Enthalpy of formation:	-219.74 kcal/mol
-        -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Cu++  =  Cu(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.3788
-	-delta_H	-53.2205	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)3-
-#	Enthalpy of formation:	-345.32 kcal/mol
-        -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Cu++  =  Cu(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.4757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(CO3)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +7.4512
-	-delta_H	-45.1269	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)2+2
-#	Enthalpy of formation:	-142.112 kJ/mol
-        -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001
-#       -Range:  0-300
-
-3.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)3++
-        -llnl_gamma           4.5    
-        log_k           +10.2719
-	-delta_H	-67.2779	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)3+2
-#	Enthalpy of formation:	-245.6 kJ/mol
-        -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001
-#       -Range:  0-300
-
-2.0000 NO2- + 1.0000 Cu++  =  Cu(NO2)2
-        -llnl_gamma           3.0    
-        log_k           +3.0300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(NO2)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cu+ + 1.0000 CH3COOH  =  CuCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.4274
-	-delta_H	-4.19237	kJ/mol	# Calculated enthalpy of reaction	CuCH3COO
-#	Enthalpy of formation:	-99.97 kcal/mol
-        -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005
-#       -Range:  0-300
-
-1.0000 Cu++ + 1.0000 CH3COOH  =  CuCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.5252
-	-delta_H	-11.3805	kJ/mol	# Calculated enthalpy of reaction	CuCH3COO+
-#	Enthalpy of formation:	-103.12 kcal/mol
-        -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++  =  CuCO3(OH)2-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.444
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3(OH)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Cu++  =  CuCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3735
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cu++ + 1.0000 Cl-  =  CuCl+
-        -llnl_gamma           4.0    
-        log_k           +0.4370
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cu++  =  CuCl2
-        -llnl_gamma           3.0    
-        log_k           +0.1585
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cu+  =  CuCl2-
-        -llnl_gamma           4.0    
-        log_k           +4.8212
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Cu+  =  CuCl3--
-        -llnl_gamma           4.0    
-        log_k           +5.6289
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl3-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Cu++  =  CuCl4--
-        -llnl_gamma           4.0    
-        log_k           -4.5681
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 F- + 1.0000 Cu++  =  CuF+
-        -llnl_gamma           4.0    
-        log_k           +1.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++  =  CuH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +8.9654
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Cu++  =  CuHPO4
-        -llnl_gamma           3.0    
-        log_k           +4.0600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NH3 + 1.0000 Cu++  =  CuNH3++
-        -llnl_gamma           4.5    
-        log_k           +4.0400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNH3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Cu++  =  CuNO2+
-        -llnl_gamma           4.0    
-        log_k           +2.0200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNO2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Cu++  =  CuO2-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -39.4497
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuO2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cu++  =  CuOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.2875
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Cu++  =  CuPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Cu++  =  CuSO4
-        -llnl_gamma           0.0    
-        log_k           +2.3600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Dy+++  =  Dy(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-29.3298	kJ/mol	# Calculated enthalpy of reaction	Dy(CH3COO)2+
-#	Enthalpy of formation:	-405.71 kcal/mol
-        -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Dy+++  =  Dy(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-49.4549	kJ/mol	# Calculated enthalpy of reaction	Dy(CH3COO)3
-#	Enthalpy of formation:	-526.62 kcal/mol
-        -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Dy+++  =  Dy(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.4576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with DyO2-
-#4.0000 H2O + 1.0000 Dy+++  =  Dy(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -33.4803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Dy+++  =  Dy(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Dy+++ + 1.0000 CH3COOH  =  DyCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-14.8532	kJ/mol	# Calculated enthalpy of reaction	DyCH3COO+2
-#	Enthalpy of formation:	-286.15 kcal/mol
-        -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Dy+++  =  DyCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.3324
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	DyCO3+
-#	Enthalpy of formation:	-310.1 kcal/mol
-        -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002
-#       -Range:  0-300
-
-1.0000 Dy+++ + 1.0000 Cl-  =  DyCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	DyCl+2
-#	Enthalpy of formation:	-203.2 kcal/mol
-        -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Dy+++  =  DyCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	DyCl2+
-#	Enthalpy of formation:	-242.2 kcal/mol
-        -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Dy+++  =  DyCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	8.78222	kJ/mol	# Calculated enthalpy of reaction	DyCl3
-#	Enthalpy of formation:	-284.2 kcal/mol
-        -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Dy+++  =  DyCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-14.0917	kJ/mol	# Calculated enthalpy of reaction	DyCl4-
-#	Enthalpy of formation:	-329.6 kcal/mol
-        -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Dy+++  =  DyF++
-        -llnl_gamma           4.5    
-        log_k           +4.6619
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	DyF+2
-#	Enthalpy of formation:	-241.1 kcal/mol
-        -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Dy+++  =  DyF2+
-        -llnl_gamma           4.0    
-        log_k           +8.1510
-	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	DyF2+
-#	Enthalpy of formation:	-323.8 kcal/mol
-        -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Dy+++  =  DyF3
-        -llnl_gamma           3.0    
-        log_k           +10.7605
-	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	DyF3
-#	Enthalpy of formation:	-409.8 kcal/mol
-        -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Dy+++  =  DyF4-
-        -llnl_gamma           4.0    
-        log_k           +12.8569
-	-delta_H	-57.3208	kJ/mol	# Calculated enthalpy of reaction	DyF4-
-#	Enthalpy of formation:	-500.8 kcal/mol
-        -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++  =  DyH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.3751
-	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	DyH2PO4+2
-#	Enthalpy of formation:	-479.7 kcal/mol
-        -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Dy+++  =  DyHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	7.10443	kJ/mol	# Calculated enthalpy of reaction	DyHCO3+2
-#	Enthalpy of formation:	-329.7 kcal/mol
-        -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Dy+++  =  DyHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Dy+++  =  DyNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.1415
-	-delta_H	-30.4219	kJ/mol	# Calculated enthalpy of reaction	DyNO3+2
-#	Enthalpy of formation:	-223.2 kcal/mol
-        -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Dy+++  =  DyO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.1171
-	-delta_H	108.018	kJ/mol	# Calculated enthalpy of reaction	DyO+
-#	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Dy+++  =  DyO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.4804
-	-delta_H	273.776	kJ/mol	# Calculated enthalpy of reaction	DyO2-
-#	Enthalpy of formation:	-237.7 kcal/mol
-        -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Dy+++  =  DyO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.8309
-	-delta_H	217.71	kJ/mol	# Calculated enthalpy of reaction	DyO2H
-#	Enthalpy of formation:	-251.1 kcal/mol
-        -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Dy+++  =  DyOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.8342
-	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	DyOH+2
-#	Enthalpy of formation:	-216.5 kcal/mol
-        -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Dy+++  =  DyPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Dy+++  =  DySO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	DySO4+
-#	Enthalpy of formation:	-379 kcal/mol
-        -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Er+++  =  Er(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-32.8026	kJ/mol	# Calculated enthalpy of reaction	Er(CH3COO)2+
-#	Enthalpy of formation:	-408.54 kcal/mol
-        -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Er+++  =  Er(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-55.187	kJ/mol	# Calculated enthalpy of reaction	Er(CH3COO)3
-#	Enthalpy of formation:	-529.99 kcal/mol
-        -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Er+++  =  Er(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Er+++  =  Er(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with ErO2-
-#4.0000 H2O + 1.0000 Er+++  =  Er(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -32.5803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Er+++  =  Er(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Er+++  =  Er(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Er+++ + 1.0000 CH3COOH  =  ErCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-16.4013	kJ/mol	# Calculated enthalpy of reaction	ErCH3COO+2
-#	Enthalpy of formation:	-288.52 kcal/mol
-        -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Er+++  =  ErCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.1858
-	-delta_H	87.0188	kJ/mol	# Calculated enthalpy of reaction	ErCO3+
-#	Enthalpy of formation:	-312.6 kcal/mol
-        -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002
-#       -Range:  0-300
-
-1.0000 Er+++ + 1.0000 Cl-  =  ErCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	12.6901	kJ/mol	# Calculated enthalpy of reaction	ErCl+2
-#	Enthalpy of formation:	-205.4 kcal/mol
-        -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Er+++  =  ErCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	15.3385	kJ/mol	# Calculated enthalpy of reaction	ErCl2+
-#	Enthalpy of formation:	-244.7 kcal/mol
-        -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Er+++  =  ErCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	5.01662	kJ/mol	# Calculated enthalpy of reaction	ErCl3
-#	Enthalpy of formation:	-287.1 kcal/mol
-        -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Er+++  =  ErCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-20.7861	kJ/mol	# Calculated enthalpy of reaction	ErCl4-
-#	Enthalpy of formation:	-333.2 kcal/mol
-        -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Er+++  =  ErF++
-        -llnl_gamma           4.5    
-        log_k           +4.7352
-	-delta_H	24.058	kJ/mol	# Calculated enthalpy of reaction	ErF+2
-#	Enthalpy of formation:	-242.9 kcal/mol
-        -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Er+++  =  ErF2+
-        -llnl_gamma           4.0    
-        log_k           +8.2976
-	-delta_H	12.9704	kJ/mol	# Calculated enthalpy of reaction	ErF2+
-#	Enthalpy of formation:	-325.7 kcal/mol
-        -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Er+++  =  ErF3
-        -llnl_gamma           3.0    
-        log_k           +10.9071
-	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	ErF3
-#	Enthalpy of formation:	-411.9 kcal/mol
-        -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Er+++  =  ErF4-
-        -llnl_gamma           4.0    
-        log_k           +13.0768
-	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	ErF4-
-#	Enthalpy of formation:	-503.5 kcal/mol
-        -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++  =  ErH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	ErH2PO4+2
-#	Enthalpy of formation:	-482.2 kcal/mol
-        -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Er+++  =  ErHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	ErHCO3+2
-#	Enthalpy of formation:	-332.2 kcal/mol
-        -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Er+++  =  ErHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Er+++  =  ErNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.1415
-	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	ErNO3+2
-#	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Er+++  =  ErO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.9705
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	ErO+
-#	Enthalpy of formation:	-211.6 kcal/mol
-        -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Er+++  =  ErO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6008
-	-delta_H	266.245	kJ/mol	# Calculated enthalpy of reaction	ErO2-
-#	Enthalpy of formation:	-241.5 kcal/mol
-        -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Er+++  =  ErO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.3178
-	-delta_H	212.689	kJ/mol	# Calculated enthalpy of reaction	ErO2H
-#	Enthalpy of formation:	-254.3 kcal/mol
-        -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Er+++  =  ErOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.7609
-	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	ErOH+2
-#	Enthalpy of formation:	-219 kcal/mol
-        -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Er+++  =  ErPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.3782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Er+++  =  ErSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	20.3008	kJ/mol	# Calculated enthalpy of reaction	ErSO4+
-#	Enthalpy of formation:	-381.048 kcal/mol
-        -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Eu+++  =  Eu(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.6912
-	-delta_H	-28.3257	kJ/mol	# Calculated enthalpy of reaction	Eu(CH3COO)2+
-#	Enthalpy of formation:	-383.67 kcal/mol
-        -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Eu+++  =  Eu(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9824
-	-delta_H	-47.3629	kJ/mol	# Calculated enthalpy of reaction	Eu(CH3COO)3
-#	Enthalpy of formation:	-504.32 kcal/mol
-        -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.3993
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)3--- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.8155
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)3-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with EuO+
-#2.0000 H2O + 1.0000 Eu+++  =  Eu(OH)2+ +2.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -14.8609
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2+
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++  =  Eu(OH)2CO3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.8462
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2CO3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with EuO2H
-#3.0000 H2O + 1.0000 Eu+++  =  Eu(OH)3 +3.0000 H+
-#        -llnl_gamma           3.0    
-#        log_k           -24.1253
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)3
-##	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with EuO2-
-#4.0000 H2O + 1.0000 Eu+++  =  Eu(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -36.5958
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)4-
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Eu+++  =  Eu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.4693
-	-delta_H	25.627	kJ/mol	# Calculated enthalpy of reaction	Eu(SO4)2-
-#	Enthalpy of formation:	-2399 kJ/mol
-        -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002
-#       -Range:  0-300
-
-2.0000 H2O + 2.0000 Eu+++  =  Eu2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -6.9182
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 Br-  =  EuBr++
-        -llnl_gamma           4.5    
-        log_k           +0.5572
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Eu+++  =  EuBr2+
-        -llnl_gamma           4.0    
-        log_k           +0.2145
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 BrO3-  =  EuBrO3++
-        -llnl_gamma           4.5    
-        log_k           +4.5823
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBrO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 CH3COOH  =  EuCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.9571
-	-delta_H	-14.5603	kJ/mol	# Calculated enthalpy of reaction	EuCH3COO+2
-#	Enthalpy of formation:	-264.28 kcal/mol
-        -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Eu+++  =  EuCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4057
-	-delta_H	90.7844	kJ/mol	# Calculated enthalpy of reaction	EuCO3+
-#	Enthalpy of formation:	-287.9 kcal/mol
-        -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002
-#       -Range:  0-300
-
-1.0000 Eu++ + 1.0000 Cl-  =  EuCl+
-        -llnl_gamma           4.0    
-        log_k           +0.3819
-	-delta_H	8.50607	kJ/mol	# Calculated enthalpy of reaction	EuCl+
-#	Enthalpy of formation:	-164 kcal/mol
-        -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001
-#       -Range:  0-300
-
-1.0000 Eu+++ + 1.0000 Cl-  =  EuCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	EuCl+2
-#	Enthalpy of formation:	-181.3 kcal/mol
-        -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Eu++  =  EuCl2
-        -llnl_gamma           3.0    
-        log_k           +1.2769
-	-delta_H	5.71534	kJ/mol	# Calculated enthalpy of reaction	EuCl2
-#	Enthalpy of formation:	-204.6 kcal/mol
-        -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Eu+++  =  EuCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	18.6857	kJ/mol	# Calculated enthalpy of reaction	EuCl2+
-#	Enthalpy of formation:	-220.1 kcal/mol
-        -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Eu+++  =  EuCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	11.2926	kJ/mol	# Calculated enthalpy of reaction	EuCl3
-#	Enthalpy of formation:	-261.8 kcal/mol
-        -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Eu++  =  EuCl3-
-        -llnl_gamma           4.0    
-        log_k           +2.0253
-	-delta_H	-3.76978	kJ/mol	# Calculated enthalpy of reaction	EuCl3-
-#	Enthalpy of formation:	-246.8 kcal/mol
-        -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Eu+++  =  EuCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-9.90771	kJ/mol	# Calculated enthalpy of reaction	EuCl4-
-#	Enthalpy of formation:	-306.8 kcal/mol
-        -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Eu++  =  EuCl4--
-        -llnl_gamma           4.0    
-        log_k           +2.8470
-	-delta_H	-19.9493	kJ/mol	# Calculated enthalpy of reaction	EuCl4-2
-#	Enthalpy of formation:	-290.6 kcal/mol
-        -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Eu++  =  EuF+
-        -llnl_gamma           4.0    
-        log_k           -1.3487
-	-delta_H	16.9452	kJ/mol	# Calculated enthalpy of reaction	EuF+
-#	Enthalpy of formation:	-202.2 kcal/mol
-        -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001
-#       -Range:  0-300
-
-1.0000 F- + 1.0000 Eu+++  =  EuF++
-        -llnl_gamma           4.5    
-        log_k           +4.4420
-	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	EuF+2
-#	Enthalpy of formation:	-219.2 kcal/mol
-        -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Eu++  =  EuF2
-        -llnl_gamma           3.0    
-        log_k           -2.0378
-	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	EuF2
-#	Enthalpy of formation:	-282.2 kcal/mol
-        -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Eu+++  =  EuF2+
-        -llnl_gamma           4.0    
-        log_k           +7.7112
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	EuF2+
-#	Enthalpy of formation:	-301.7 kcal/mol
-        -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Eu+++  =  EuF3
-        -llnl_gamma           3.0    
-        log_k           +10.1741
-	-delta_H	-8.9956	kJ/mol	# Calculated enthalpy of reaction	EuF3
-#	Enthalpy of formation:	-387.3 kcal/mol
-        -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Eu++  =  EuF3-
-        -llnl_gamma           4.0    
-        log_k           -2.5069
-	-delta_H	3.5564	kJ/mol	# Calculated enthalpy of reaction	EuF3-
-#	Enthalpy of formation:	-365.7 kcal/mol
-        -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Eu+++  =  EuF4-
-        -llnl_gamma           4.0    
-        log_k           +12.1239
-	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	EuF4-
-#	Enthalpy of formation:	-477.8 kcal/mol
-        -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Eu++  =  EuF4--
-        -llnl_gamma           4.0    
-        log_k           -2.8294
-	-delta_H	-37.656	kJ/mol	# Calculated enthalpy of reaction	EuF4-2
-#	Enthalpy of formation:	-455.7 kcal/mol
-        -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++  =  EuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-17.0916	kJ/mol	# Calculated enthalpy of reaction	EuH2PO4+2
-#	Enthalpy of formation:	-457.6 kcal/mol
-        -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Eu+++  =  EuHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6258
-	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	EuHCO3+2
-#	Enthalpy of formation:	-307.5 kcal/mol
-        -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Eu+++  =  EuHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 IO3- + 1.0000 Eu+++  =  EuIO3++
-        -llnl_gamma           4.5    
-        log_k           +2.1560
-	-delta_H	11.8314	kJ/mol	# Calculated enthalpy of reaction	EuIO3+2
-#	Enthalpy of formation:	-814.927 kJ/mol
-        -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001
-#       -Range:  0-300
-
-1.0000 NO3- + 1.0000 Eu+++  =  EuNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.8745
-	-delta_H	-32.0955	kJ/mol	# Calculated enthalpy of reaction	EuNO3+2
-#	Enthalpy of formation:	-201.8 kcal/mol
-        -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Eu+++  =  EuO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.337
-	-delta_H	110.947	kJ/mol	# Calculated enthalpy of reaction	EuO+
-#	Enthalpy of formation:	-186.5 kcal/mol
-        -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Eu+++  =  EuO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.5066
-	-delta_H	281.307	kJ/mol	# Calculated enthalpy of reaction	EuO2-
-#	Enthalpy of formation:	-214.1 kcal/mol
-        -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Eu+++  =  EuO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.4173
-	-delta_H	222.313	kJ/mol	# Calculated enthalpy of reaction	EuO2H
-#	Enthalpy of formation:	-228.2 kcal/mol
-        -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOH(CO3)2-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.176
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOH(CO3)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Eu+++  =  EuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9075
-	-delta_H	78.0065	kJ/mol	# Calculated enthalpy of reaction	EuOH+2
-#	Enthalpy of formation:	-194.373 kcal/mol
-        -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOHCO3 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.4941
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Eu+++  =  EuPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Eu+++  =  EuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	62.3416	kJ/mol	# Calculated enthalpy of reaction	EuSO4+
-#	Enthalpy of formation:	-347.2 kcal/mol
-        -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Fe++  =  Fe(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.0295
-	-delta_H	-20.2924	kJ/mol	# Calculated enthalpy of reaction	Fe(CH3COO)2
-#	Enthalpy of formation:	-259.1 kcal/mol
-        -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Fe++  =  Fe(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -20.6
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Fe+++  =  Fe(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Fe+++  =  Fe(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -12
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Fe++  =  Fe(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Fe+++  =  Fe(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.6
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Fe++  =  Fe(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -46
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Fe+++  =  Fe(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +3.2137
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Fe+++  =  Fe2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -2.95
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Fe+++  =  Fe3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -6.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe3(OH)4+5
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Fe++ + 1.0000 CH3COOH  =  FeCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4671
-	-delta_H	-3.80744	kJ/mol	# Calculated enthalpy of reaction	FeCH3COO+
-#	Enthalpy of formation:	-139.06 kcal/mol
-        -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Fe++  =  FeCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.5988
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Fe+++  =  FeCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.6088
-	-delta_H	-50.208	kJ/mol	# Calculated enthalpy of reaction	FeCO3+
-#	Enthalpy of formation:	-188.748 kcal/mol
-        -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000
-#       -Range:  0-300
-
-1.0000 Fe++ + 1.0000 Cl-  =  FeCl+
-        -llnl_gamma           4.0    
-        log_k           -0.1605
-	-delta_H	3.02503	kJ/mol	# Calculated enthalpy of reaction	FeCl+
-#	Enthalpy of formation:	-61.26 kcal/mol
-        -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001
-#       -Range:  0-300
-
-1.0000 Fe+++ + 1.0000 Cl-  =  FeCl++
-        -llnl_gamma           4.5    
-        log_k           -0.8108
-	-delta_H	36.6421	kJ/mol	# Calculated enthalpy of reaction	FeCl+2
-#	Enthalpy of formation:	-180.018 kJ/mol
-        -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Fe++  =  FeCl2
-        -llnl_gamma           3.0    
-        log_k           -2.4541
-	-delta_H	6.46846	kJ/mol	# Calculated enthalpy of reaction	FeCl2
-#	Enthalpy of formation:	-100.37 kcal/mol
-        -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Fe+++  =  FeCl2+
-        -llnl_gamma           4.0    
-        log_k           +2.1300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Fe+++  =  FeCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.79
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Fe++  =  FeCl4--
-        -llnl_gamma           4.0    
-        log_k           -1.9
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002
-#       -Range:  0-300
-
-1.0000 Fe++ + 1.0000 F-  =  FeF+
-        -llnl_gamma           4.0    
-        log_k           +1.3600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Fe+++ + 1.0000 F-  =  FeF++
-        -llnl_gamma           4.5    
-        log_k           +4.1365
-	-delta_H	14.327	kJ/mol	# Calculated enthalpy of reaction	FeF+2
-#	Enthalpy of formation:	-370.601 kJ/mol
-        -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Fe+++  =  FeF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3498
-	-delta_H	23.9776	kJ/mol	# Calculated enthalpy of reaction	FeF2+
-#	Enthalpy of formation:	-696.298 kJ/mol
-        -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++  =  FeH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +2.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++  =  FeH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +4.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Fe++  =  FeHCO3+
-        -llnl_gamma           4.0    
-        log_k           +2.7200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe++  =  FeHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe+++  =  FeHPO4+
-        -llnl_gamma           4.0    
-        log_k           +10.1800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Fe+++  =  FeNO2++
-        -llnl_gamma           4.5    
-        log_k           +3.1500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Fe+++  =  FeNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Fe++  =  FeOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.5
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Fe+++  =  FeOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.19
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe++  =  FePO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3918
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FePO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Fe++  =  FeSO4
-        -llnl_gamma           3.0    
-        log_k           +2.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeSO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Fe+++  =  FeSO4+
-        -llnl_gamma           4.0    
-        log_k           +1.9276
-	-delta_H	27.181	kJ/mol	# Calculated enthalpy of reaction	FeSO4+
-#	Enthalpy of formation:	-932.001 kJ/mol
-        -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Gd+++  =  Gd(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-22.3426	kJ/mol	# Calculated enthalpy of reaction	Gd(CH3COO)2+
-#	Enthalpy of formation:	-401.74 kcal/mol
-        -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Gd+++  =  Gd(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-37.9907	kJ/mol	# Calculated enthalpy of reaction	Gd(CH3COO)3
-#	Enthalpy of formation:	-521.58 kcal/mol
-        -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Gd+++  =  Gd(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.5576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with GdO2-
-#4.0000 H2O + 1.0000 Gd+++  =  Gd(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -33.8803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)4-
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Gd+++  =  Gd(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Gd+++ + 1.0000 CH3COOH  =  GdCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-11.7152	kJ/mol	# Calculated enthalpy of reaction	GdCH3COO+2
-#	Enthalpy of formation:	-283.1 kcal/mol
-        -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Gd+++  =  GdCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.479
-	-delta_H	89.9476	kJ/mol	# Calculated enthalpy of reaction	GdCO3+
-#	Enthalpy of formation:	-307.6 kcal/mol
-        -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002
-#       -Range:  0-300
-
-1.0000 Gd+++ + 1.0000 Cl-  =  GdCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	GdCl+2
-#	Enthalpy of formation:	-200.6 kcal/mol
-        -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Gd+++  =  GdCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	21.1961	kJ/mol	# Calculated enthalpy of reaction	GdCl2+
-#	Enthalpy of formation:	-239 kcal/mol
-        -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Gd+++  =  GdCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	15.895	kJ/mol	# Calculated enthalpy of reaction	GdCl3
-#	Enthalpy of formation:	-280.2 kcal/mol
-        -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Gd+++  =  GdCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-1.53971	kJ/mol	# Calculated enthalpy of reaction	GdCl4-
-#	Enthalpy of formation:	-324.3 kcal/mol
-        -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002
-#       -Range:  0-300
-
-1.0000 Gd+++ + 1.0000 F-  =  GdF++
-        -llnl_gamma           4.5    
-        log_k           +4.5886
-	-delta_H	21.1292	kJ/mol	# Calculated enthalpy of reaction	GdF+2
-#	Enthalpy of formation:	-239.3 kcal/mol
-        -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Gd+++  =  GdF2+
-        -llnl_gamma           4.0    
-        log_k           +7.9311
-	-delta_H	11.2968	kJ/mol	# Calculated enthalpy of reaction	GdF2+
-#	Enthalpy of formation:	-321.8 kcal/mol
-        -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Gd+++  =  GdF3
-        -llnl_gamma           3.0    
-        log_k           +10.4673
-	-delta_H	-11.506	kJ/mol	# Calculated enthalpy of reaction	GdF3
-#	Enthalpy of formation:	-407.4 kcal/mol
-        -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Gd+++  =  GdF4-
-        -llnl_gamma           4.0    
-        log_k           +12.4904
-	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	GdF4-
-#	Enthalpy of formation:	-497.3 kcal/mol
-        -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++  =  GdH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-14.9996	kJ/mol	# Calculated enthalpy of reaction	GdH2PO4+2
-#	Enthalpy of formation:	-476.6 kcal/mol
-        -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000
-#       -Range:  0-300
-
-1.0000 HCO3- + 1.0000 Gd+++  =  GdHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	10.0332	kJ/mol	# Calculated enthalpy of reaction	GdHCO3+2
-#	Enthalpy of formation:	-326.7 kcal/mol
-        -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Gd+++  =  GdHPO4+
-        -llnl_gamma           4.0    
-        log_k           -185.109
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Gd+++  =  GdNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.4347
-	-delta_H	-25.8195	kJ/mol	# Calculated enthalpy of reaction	GdNO3+2
-#	Enthalpy of formation:	-219.8 kcal/mol
-        -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Gd+++  =  GdO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.337
-	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	GdO+
-#	Enthalpy of formation:	-205.5 kcal/mol
-        -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Gd+++  =  GdO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.4333
-	-delta_H	283.817	kJ/mol	# Calculated enthalpy of reaction	GdO2-
-#	Enthalpy of formation:	-233 kcal/mol
-        -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Gd+++  =  GdO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.2707
-	-delta_H	224.405	kJ/mol	# Calculated enthalpy of reaction	GdO2H
-#	Enthalpy of formation:	-247.2 kcal/mol
-        -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002
-#       -Range:  0-300
-
-1.0000 H2O + 1.0000 Gd+++  =  GdOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9075
-	-delta_H	79.9855	kJ/mol	# Calculated enthalpy of reaction	GdOH+2
-#	Enthalpy of formation:	-213.4 kcal/mol
-        -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002
-#       -Range:  0-300
-
-1.0000 HPO4-- + 1.0000 Gd+++  =  GdPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Gd+++  =  GdSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	GdSO4+
-#	Enthalpy of formation:	-376.8 kcal/mol
-        -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002
-#       -Range:  0-300
-
-1.0000 O_phthalate-2 + 1.0000 H+  =  H(O_phthalate)-
-        -llnl_gamma           4.0    
-        log_k           +5.4080
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H(O_phthalate)-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 CrO4--  =  H2CrO4
-        -llnl_gamma           3.0    
-        log_k           +5.1750
-	-delta_H	42.8274	kJ/mol	# Calculated enthalpy of reaction	H2CrO4
-#	Enthalpy of formation:	-200.364 kcal/mol
-        -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002
-#       -Range:  0-200
-
-2.0000 H+ + 2.0000 F-  =  H2F2
-        -llnl_gamma           3.0    
-        log_k           +6.7680
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2F2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+  =  H2P2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +12.0709
-	-delta_H	19.7192	kJ/mol	# Calculated enthalpy of reaction	H2P2O7-2
-#	Enthalpy of formation:	-544.6 kcal/mol
-        -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001
-#       -Range:  0-300
-
-3.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  H2PO3F +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +12.1047
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2PO3F
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+  =  H2PO4-
-        -llnl_gamma           4.0    
-        log_k           +7.2054
-	-delta_H	-4.20492	kJ/mol	# Calculated enthalpy of reaction	H2PO4-
-#	Enthalpy of formation:	-309.82 kcal/mol
-        -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001
-#       -Range:  0-300
-
-#1.0000 HS- + 1.0000 H+  =  H2S
-#        -llnl_gamma           3.0    
-#        log_k           +6.99
-#        -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001
-#       -Range:  0-300
-# these (above) H2S values are from 
-# Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198.
-# values below are the original Thermo.com.v8.r6.230 data from somewhere
-
-1.0000 HS- + 1.0000 H+  =  H2S
-        -llnl_gamma           3.0    
-        log_k           +6.9877
-	-delta_H	-21.5518	kJ/mol	# Calculated enthalpy of reaction	H2S
-#	Enthalpy of formation:	-9.001 kcal/mol
-        -analytic 3.9283e+001 2.8727e-002  1.3477e+003 -1.8331e+001  2.1018e+001
-#       -Range:  0-300
-
-2.0000 H+ + 1.0000 SO3--  =  H2SO3
-        -llnl_gamma           3.0    
-        log_k           +9.2132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 SO4--  =  H2SO4
-        -llnl_gamma           3.0    
-        log_k           -1.0209
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 Se--  =  H2Se
-        -llnl_gamma           3.0    
-        log_k           +18.7606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2Se
-#	Enthalpy of formation:	19.412 kJ/mol
-        -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001
-#       -Range:  0-200
-
-2.0000 H+ + 1.0000 SeO3--  =  H2SeO3
-        -llnl_gamma           3.0    
-        log_k           +9.8589
-	-delta_H	1.7238	kJ/mol	# Calculated enthalpy of reaction	H2SeO3
-#	Enthalpy of formation:	-507.469 kJ/mol
-        -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001
-#       -Range:  0-200
-
-2.0000 H2O + 1.0000 SiO2  =  H2SiO4-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.96
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SiO4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 TcO4--  =  H2TcO4
-        -llnl_gamma           3.0    
-        log_k           +9.0049
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2TcO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+ =  H2VO4- + 2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0922
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2VO4-
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.7105e+001   -1.7503e-002   -4.2671e+003   -1.8910e+000   -6.6589e+001
-#       -Range:  0-300
-
-1.0000 H2AsO4- + 1.0000 H+  =  H3AsO4
-        -llnl_gamma           3.0    
-        log_k           +2.2492
-	-delta_H	7.17876	kJ/mol	# Calculated enthalpy of reaction	H3AsO4
-#	Enthalpy of formation:	-902.381 kJ/mol
-        -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001
-#       -Range:  0-200
-
-3.0000 H+ + 2.0000 HPO4--  =  H3P2O7- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +14.4165
-	-delta_H	21.8112	kJ/mol	# Calculated enthalpy of reaction	H3P2O7-
-#	Enthalpy of formation:	-544.1 kcal/mol
-        -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001
-#       -Range:  0-300
-
-2.0000 H+ + 1.0000 HPO4--  =  H3PO4
-        -llnl_gamma           3.0    
-        log_k           +9.3751
-	-delta_H	3.74468	kJ/mol	# Calculated enthalpy of reaction	H3PO4
-#	Enthalpy of formation:	-307.92 kcal/mol
-        -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001
-#       -Range:  0-300
-
-8.0000 H2O + 4.0000 SiO2  =  H4(H2SiO4)4---- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -35.94
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H4(H2SiO4)4-4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H+ + 2.0000 HPO4--  =  H4P2O7 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +15.9263
-	-delta_H	29.7226	kJ/mol	# Calculated enthalpy of reaction	H4P2O7
-#	Enthalpy of formation:	-2268.6 kJ/mol
-        -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002
-#       -Range:  0-200
-
-8.0000 H2O + 4.0000 SiO2  =  H6(H2SiO4)4-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.64
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H6(H2SiO4)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Al+++  =  HAlO2 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -16.4329
-	-delta_H	144.704	kJ/mol	# Calculated enthalpy of reaction	HAlO2
-#	Enthalpy of formation:	-230.73 kcal/mol
-        -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002
-#       -Range:  0-300
-
-1.0000 H2AsO3- + 1.0000 H+  =  HAsO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k            9.2792 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 3.1290e+002    9.3052e-002   -6.5052e+003   -1.2510e+002   -1.1058e+002
-#       -Range:  0-200
-
-1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F-  =  HAsO3F- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +46.1158
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO3F-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO4-  =  HAsO4-- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.7583
-	-delta_H	3.22168	kJ/mol	# Calculated enthalpy of reaction	HAsO4-2
-#	Enthalpy of formation:	-216.62 kcal/mol
-        -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001
-#       -Range:  0-300
-
-3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3-  =  HAsS2 +3.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +30.4803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsS2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 BrO-  =  HBrO
-        -llnl_gamma           3.0    
-        log_k           +8.3889
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HBrO
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 Cyanide-  =  HCyanide
-        -llnl_gamma           3.0    
-        log_k           +9.2359
-	-delta_H	-43.5136	kJ/mol	# Calculated enthalpy of reaction	HCyanide
-#	Enthalpy of formation:	25.6 kcal/mol
-        -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001
-#       -Range:  0-300
-
-1.0000 H+ + 1.0000 Cl-  =  HCl
-        -llnl_gamma           3.0    
-        log_k           -0.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCl
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002
-#       -Range:  0-300
-
-1.0000 H+ + 1.0000 ClO-  =  HClO
-        -llnl_gamma           3.0    
-        log_k           +7.5692
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 ClO2-  =  HClO2
-        -llnl_gamma           3.0    
-        log_k           +3.1698
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Co++  =  HCoO2- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.243
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCoO2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 CrO4--  =  HCrO4-
-        -llnl_gamma           4.0    
-        log_k           +6.4944
-	-delta_H	2.9288	kJ/mol	# Calculated enthalpy of reaction	HCrO4-
-#	Enthalpy of formation:	-209.9 kcal/mol
-        -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000
-#       -Range:  0-300
-
-1.0000 H+ + 1.0000 F-  =  HF
-        -llnl_gamma           3.0    
-        log_k           +3.1681
-	-delta_H	13.87	kJ/mol	# Calculated enthalpy of reaction	HF
-#	Enthalpy of formation:	-76.835 kcal/mol
-        -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 H+  =  HF2-
-        -llnl_gamma           4.0    
-        log_k           +2.5509
-	-delta_H	20.7526	kJ/mol	# Calculated enthalpy of reaction	HF2-
-#	Enthalpy of formation:	-155.34 kcal/mol
-        -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001
-#       -Range:  0-300
-
-1.0000 IO3- + 1.0000 H+  =  HIO3
-        -llnl_gamma           3.0    
-        log_k           +0.4915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HIO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 N3- + 1.0000 H+  =  HN3
-        -llnl_gamma           3.0    
-        log_k           +4.7001
-	-delta_H	-15	kJ/mol	# Calculated enthalpy of reaction	HN3
-#	Enthalpy of formation:	260.14 kJ/mol
-        -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001
-#       -Range:  0-200
-
-1.0000 NO2- + 1.0000 H+  =  HNO2
-        -llnl_gamma           3.0    
-        log_k           +3.2206
-	-delta_H	-14.782	kJ/mol	# Calculated enthalpy of reaction	HNO2
-#	Enthalpy of formation:	-119.382 kJ/mol
-        -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005
-#       -Range:  0-200
-
-1.0000 NO3- + 1.0000 H+  =  HNO3
-        -llnl_gamma           3.0    
-        log_k           -1.3025
-	-delta_H	16.8155	kJ/mol	# Calculated enthalpy of reaction	HNO3
-#	Enthalpy of formation:	-45.41 kcal/mol
-        -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001
-#       -Range:  0-300
-
-2.0000 HPO4-- + 1.0000 H+  =  HP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +5.4498
-	-delta_H	23.3326	kJ/mol	# Calculated enthalpy of reaction	HP2O7-3
-#	Enthalpy of formation:	-2274.99 kJ/mol
-        -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002
-#       -Range:  0-300
-
-2.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  HPO3F- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +11.2988
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HPO3F-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 RuO4 + 1.0000 H2O  =  HRuO5- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.5244
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HRuO5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 S2O3--  =  HS2O3-
-        -llnl_gamma           4.0    
-        log_k            1.0139
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HS2O3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO3-- + 1.0000 H+  =  HSO3-
-        -llnl_gamma           4.0    
-        log_k           +7.2054
-	-delta_H	9.33032	kJ/mol	# Calculated enthalpy of reaction	HSO3-
-#	Enthalpy of formation:	-149.67 kcal/mol
-        -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 H+  =  HSO4-
-        -llnl_gamma           4.0    
-        log_k           +1.9791
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HSO4-
-#	Enthalpy of formation:	-212.5 kcal/mol
-        -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001
-#       -Range:  0-300
-
-4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3  =  HSb2S4- +6.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +50.6100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HSb2S4-
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002
-#       -Range:  0-300
-
-1.0000 SeO3-- + 1.0000 H+  =  HSeO3-
-        -llnl_gamma           4.0    
-        log_k           +7.2861
-	-delta_H	-5.35552	kJ/mol	# Calculated enthalpy of reaction	HSeO3-
-#	Enthalpy of formation:	-122.98 kcal/mol
-        -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000
-#       -Range:  0-300
-
-1.0000 SeO4-- + 1.0000 H+  =  HSeO4-
-        -llnl_gamma           4.0    
-        log_k           +1.9058
-	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	HSeO4-
-#	Enthalpy of formation:	-139 kcal/mol
-        -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001
-#       -Range:  0-300
-
-1.0000 SiO2 + 1.0000 H2O  =  HSiO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.9525
-	-delta_H	25.991	kJ/mol	# Calculated enthalpy of reaction	HSiO3-
-#	Enthalpy of formation:	-271.88 kcal/mol
-        -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006
-#       -Range:  0-300
-
-1.0000 TcO4-- + 1.0000 H+  =  HTcO4-
-        -llnl_gamma           4.0    
-        log_k           +8.7071
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HTcO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+ =  HVO4-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.1553
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HVO4-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -7.0660e+001   -5.2457e-002   -3.5380e+003    3.3534e+001   -5.5186e+001
-#       -Range:  0-300
-
-5.0000 H2O + 1.0000 Hf++++  =  Hf(OH)5- +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.1754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(OH)5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Hf++++ + 1.0000 H2O  =  HfOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.2951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfOH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Hg++  =  Hg(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -2.6242
-	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Hg(CH3COO)2
-#	Enthalpy of formation:	-198.78 kcal/mol
-        -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Hg++  =  Hg(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3247
-	-delta_H	-59.7057	kJ/mol	# Calculated enthalpy of reaction	Hg(CH3COO)3-
-#	Enthalpy of formation:	-321.9 kcal/mol
-        -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006
-#       -Range:  0-300
-
-1.0000 Hg++ + 1.0000 CH3COOH  =  HgCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.4691
-	-delta_H	-16.5686	kJ/mol	# Calculated enthalpy of reaction	HgCH3COO+
-#	Enthalpy of formation:	-79.39 kcal/mol
-        -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Ho+++  =  Ho(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-28.1583	kJ/mol	# Calculated enthalpy of reaction	Ho(CH3COO)2+
-#	Enthalpy of formation:	-407.93 kcal/mol
-        -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Ho+++  =  Ho(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-47.5721	kJ/mol	# Calculated enthalpy of reaction	Ho(CH3COO)3
-#	Enthalpy of formation:	-528.67 kcal/mol
-        -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Ho+++  =  Ho(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.3437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Ho+++  =  Ho(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ho+++ + 1.0000 CH3COOH  =  HoCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-14.3093	kJ/mol	# Calculated enthalpy of reaction	HoCH3COO+2
-#	Enthalpy of formation:	-288.52 kcal/mol
-        -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 HCO3-  =  HoCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.2591
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	HoCO3+
-#	Enthalpy of formation:	-312.6 kcal/mol
-        -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 Cl-  =  HoCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	HoCl+2
-#	Enthalpy of formation:	-205.6 kcal/mol
-        -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Ho+++  =  HoCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	17.8489	kJ/mol	# Calculated enthalpy of reaction	HoCl2+
-#	Enthalpy of formation:	-244.6 kcal/mol
-        -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Ho+++  =  HoCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	HoCl3
-#	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Ho+++  =  HoCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-12.4181	kJ/mol	# Calculated enthalpy of reaction	HoCl4-
-#	Enthalpy of formation:	-331.7 kcal/mol
-        -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 F-  =  HoF++
-        -llnl_gamma           4.5    
-        log_k           +4.7352
-	-delta_H	22.3844	kJ/mol	# Calculated enthalpy of reaction	HoF+2
-#	Enthalpy of formation:	-243.8 kcal/mol
-        -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Ho+++  =  HoF2+
-        -llnl_gamma           4.0    
-        log_k           +8.2976
-	-delta_H	11.7152	kJ/mol	# Calculated enthalpy of reaction	HoF2+
-#	Enthalpy of formation:	-326.5 kcal/mol
-        -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Ho+++  =  HoF3
-        -llnl_gamma           3.0    
-        log_k           +10.9071
-	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	HoF3
-#	Enthalpy of formation:	-412.5 kcal/mol
-        -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Ho+++  =  HoF4-
-        -llnl_gamma           4.0    
-        log_k           +13.0035
-	-delta_H	-57.7392	kJ/mol	# Calculated enthalpy of reaction	HoF4-
-#	Enthalpy of formation:	-503.4 kcal/mol
-        -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+  =  HoH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-17.9284	kJ/mol	# Calculated enthalpy of reaction	HoH2PO4+2
-#	Enthalpy of formation:	-482.1 kcal/mol
-        -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 HCO3-  =  HoHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	7.52283	kJ/mol	# Calculated enthalpy of reaction	HoHCO3+2
-#	Enthalpy of formation:	-332.1 kcal/mol
-        -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 HPO4--  =  HoHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Ho+++  =  HoNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-30.0035	kJ/mol	# Calculated enthalpy of reaction	HoNO3+2
-#	Enthalpy of formation:	-225.6 kcal/mol
-        -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 H2O  =  HoO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.0438
-	-delta_H	108.437	kJ/mol	# Calculated enthalpy of reaction	HoO+
-#	Enthalpy of formation:	-211.4 kcal/mol
-        -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Ho+++  =  HoO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.4804
-	-delta_H	274.613	kJ/mol	# Calculated enthalpy of reaction	HoO2-
-#	Enthalpy of formation:	-240 kcal/mol
-        -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Ho+++  =  HoO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.5377
-	-delta_H	216.873	kJ/mol	# Calculated enthalpy of reaction	HoO2H
-#	Enthalpy of formation:	-253.8 kcal/mol
-        -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 H2O  =  HoOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.7609
-	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	HoOH+2
-#	Enthalpy of formation:	-219 kcal/mol
-        -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001
-#       -Range:  0-300
-
-1.0000 Ho+++ + 1.0000 HPO4--  =  HoPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ho+++  =  HoSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HoSO4+
-#	Enthalpy of formation:	-381.5 kcal/mol
-        -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 K+  =  K(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.2914
-	-delta_H	-1.79912	kJ/mol	# Calculated enthalpy of reaction	K(CH3COO)2-
-#	Enthalpy of formation:	-292.9 kcal/mol
-        -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 Br-  =  KBr
-        -llnl_gamma           3.0    
-        log_k           -1.7372
-	-delta_H	12.5102	kJ/mol	# Calculated enthalpy of reaction	KBr
-#	Enthalpy of formation:	-86.32 kcal/mol
-        -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 CH3COOH  =  KCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.0211
-	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	KCH3COO
-#	Enthalpy of formation:	-175.22 kcal/mol
-        -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 Cl-  =  KCl
-        -llnl_gamma           3.0    
-        log_k           -1.4946
-	-delta_H	14.1963	kJ/mol	# Calculated enthalpy of reaction	KCl
-#	Enthalpy of formation:	-96.81 kcal/mol
-        -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 HPO4--  =  KHPO4-
-        -llnl_gamma           4.0    
-        log_k           +0.7800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KHPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 K+ + 1.0000 H+  =  KHSO4
-        -llnl_gamma           3.0    
-        log_k           +0.8136
-	-delta_H	29.8319	kJ/mol	# Calculated enthalpy of reaction	KHSO4
-#	Enthalpy of formation:	-270.54 kcal/mol
-        -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 I-  =  KI
-        -llnl_gamma           3.0    
-        log_k           -1.598
-	-delta_H	9.16296	kJ/mol	# Calculated enthalpy of reaction	KI
-#	Enthalpy of formation:	-71.68 kcal/mol
-        -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001
-#       -Range:  0-300
-
-1.0000 K+ + 1.0000 H2O  =  KOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -14.46
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KOH
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 K+  =  KP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -1.4286
-	-delta_H	34.1393	kJ/mol	# Calculated enthalpy of reaction	KP2O7-3
-#	Enthalpy of formation:	-2516.36 kJ/mol
-        -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 K+  =  KSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.8796
-	-delta_H	2.88696	kJ/mol	# Calculated enthalpy of reaction	KSO4-
-#	Enthalpy of formation:	-276.98 kcal/mol
-        -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 La+++  =  La(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.3949
-	-delta_H	-23.1375	kJ/mol	# Calculated enthalpy of reaction	La(CH3COO)2+
-#	Enthalpy of formation:	-407.33 kcal/mol
-        -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 La+++  =  La(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.5982
-	-delta_H	-41.9237	kJ/mol	# Calculated enthalpy of reaction	La(CH3COO)3
-#	Enthalpy of formation:	-527.92 kcal/mol
-        -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 La+++  =  La(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 La+++  =  La(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 La+++  =  La(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 La+++  =  La(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 La+++ + 2.0000 H2O  =  La2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -22.9902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-9.0000 H2O + 5.0000 La+++  =  La5(OH)9+6 +9.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -71.1557
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La5(OH)9+6
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 La+++ + 1.0000 CH3COOH  =  LaCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.2063
-	-delta_H	-12.5938	kJ/mol	# Calculated enthalpy of reaction	LaCH3COO+2
-#	Enthalpy of formation:	-288.71 kcal/mol
-        -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 HCO3-  =  LaCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.212
-	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	LaCO3+
-#	Enthalpy of formation:	-313.1 kcal/mol
-        -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 Cl-  =  LaCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	LaCl+2
-#	Enthalpy of formation:	-206.1 kcal/mol
-        -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 La+++  =  LaCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	19.1041	kJ/mol	# Calculated enthalpy of reaction	LaCl2+
-#	Enthalpy of formation:	-244.9 kcal/mol
-        -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 La+++  =  LaCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	12.5478	kJ/mol	# Calculated enthalpy of reaction	LaCl3
-#	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 La+++  =  LaCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.818
-	-delta_H	-7.81571	kJ/mol	# Calculated enthalpy of reaction	LaCl4-
-#	Enthalpy of formation:	-331.2 kcal/mol
-        -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 F-  =  LaF++
-        -llnl_gamma           4.5    
-        log_k           +3.8556
-	-delta_H	26.5684	kJ/mol	# Calculated enthalpy of reaction	LaF+2
-#	Enthalpy of formation:	-243.4 kcal/mol
-        -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 La+++  =  LaF2+
-        -llnl_gamma           4.0    
-        log_k           +6.6850
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	LaF2+
-#	Enthalpy of formation:	-325.2 kcal/mol
-        -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 La+++  =  LaF3
-        -llnl_gamma           3.0    
-        log_k           +8.7081
-	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	LaF3
-#	Enthalpy of formation:	-410.2 kcal/mol
-        -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 La+++  =  LaF4-
-        -llnl_gamma           4.0    
-        log_k           +10.3647
-	-delta_H	-41.4216	kJ/mol	# Calculated enthalpy of reaction	LaF4-
-#	Enthalpy of formation:	-500.1 kcal/mol
-        -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+  =  LaH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.7417
-	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	LaH2PO4+2
-#	Enthalpy of formation:	-482.8 kcal/mol
-        -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 HCO3-  =  LaHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9923
-	-delta_H	6.68603	kJ/mol	# Calculated enthalpy of reaction	LaHCO3+2
-#	Enthalpy of formation:	-332.9 kcal/mol
-        -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 HPO4--  =  LaHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 La+++  =  LaNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5813
-	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	LaNO3+2
-#	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 H2O  =  LaO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.1696
-	-delta_H	121.407	kJ/mol	# Calculated enthalpy of reaction	LaO+
-#	Enthalpy of formation:	-208.9 kcal/mol
-        -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 La+++  =  LaO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -40.8105
-	-delta_H	318.126	kJ/mol	# Calculated enthalpy of reaction	LaO2-
-#	Enthalpy of formation:	-230.2 kcal/mol
-        -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 La+++  =  LaO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -27.9095
-	-delta_H	237.375	kJ/mol	# Calculated enthalpy of reaction	LaO2H
-#	Enthalpy of formation:	-249.5 kcal/mol
-        -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 H2O  =  LaOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.6405
-	-delta_H	82.4959	kJ/mol	# Calculated enthalpy of reaction	LaOH+2
-#	Enthalpy of formation:	-218.2 kcal/mol
-        -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001
-#       -Range:  0-300
-
-1.0000 La+++ + 1.0000 HPO4--  =  LaPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -1.3618
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 La+++  =  LaSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	18.4096	kJ/mol	# Calculated enthalpy of reaction	LaSO4+
-#	Enthalpy of formation:	-382.6 kcal/mol
-        -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Li+  =  Li(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.2674
-	-delta_H	-24.7609	kJ/mol	# Calculated enthalpy of reaction	Li(CH3COO)2-
-#	Enthalpy of formation:	-304.67 kcal/mol
-        -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002
-#       -Range:  0-300
-
-1.0000 Li+ + 1.0000 CH3COOH  =  LiCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.4589
-	-delta_H	-6.64419	kJ/mol	# Calculated enthalpy of reaction	LiCH3COO
-#	Enthalpy of formation:	-184.24 kcal/mol
-        -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005
-#       -Range:  0-300
-
-1.0000 Li+ + 1.0000 Cl-  =  LiCl
-        -llnl_gamma           3.0    
-        log_k           -1.5115
-	-delta_H	3.36812	kJ/mol	# Calculated enthalpy of reaction	LiCl
-#	Enthalpy of formation:	-105.68 kcal/mol
-        -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001
-#       -Range:  0-300
-
-1.0000 Li+ + 1.0000 H2O  =  LiOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -13.64
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiOH
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Li+  =  LiSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.7700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiSO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Lu+++  =  Lu(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-38.5346	kJ/mol	# Calculated enthalpy of reaction	Lu(CH3COO)2+
-#	Enthalpy of formation:	-409.31 kcal/mol
-        -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Lu+++  =  Lu(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-64.5173	kJ/mol	# Calculated enthalpy of reaction	Lu(CH3COO)3
-#	Enthalpy of formation:	-531.62 kcal/mol
-        -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Lu+++  =  Lu(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Lu+++  =  Lu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Lu+++ + 1.0000 CH3COOH  =  LuCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-18.9703	kJ/mol	# Calculated enthalpy of reaction	LuCH3COO+2
-#	Enthalpy of formation:	-288.534 kcal/mol
-        -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 HCO3-  =  LuCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.0392
-	-delta_H	78.2324	kJ/mol	# Calculated enthalpy of reaction	LuCO3+
-#	Enthalpy of formation:	-314.1 kcal/mol
-        -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 Cl-  =  LuCl++
-        -llnl_gamma           4.5    
-        log_k           -0.0579
-	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	LuCl+2
-#	Enthalpy of formation:	-204.6 kcal/mol
-        -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Lu+++  =  LuCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.6289
-	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	LuCl2+
-#	Enthalpy of formation:	-244 kcal/mol
-        -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Lu+++  =  LuCl3
-        -llnl_gamma           3.0    
-        log_k           -1.1999
-	-delta_H	3.56895	kJ/mol	# Calculated enthalpy of reaction	LuCl3
-#	Enthalpy of formation:	-286.846 kcal/mol
-        -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Lu+++  =  LuCl4-
-        -llnl_gamma           4.0    
-        log_k           -1.771
-	-delta_H	-25.8069	kJ/mol	# Calculated enthalpy of reaction	LuCl4-
-#	Enthalpy of formation:	-333.8 kcal/mol
-        -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 F-  =  LuF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	25.7316	kJ/mol	# Calculated enthalpy of reaction	LuF+2
-#	Enthalpy of formation:	-241.9 kcal/mol
-        -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Lu+++  =  LuF2+
-        -llnl_gamma           4.0    
-        log_k           +8.4442
-	-delta_H	14.2256	kJ/mol	# Calculated enthalpy of reaction	LuF2+
-#	Enthalpy of formation:	-324.8 kcal/mol
-        -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Lu+++  =  LuF3
-        -llnl_gamma           3.0    
-        log_k           +11.0999
-	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	LuF3
-#	Enthalpy of formation:	-411.3 kcal/mol
-        -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Lu+++  =  LuF4-
-        -llnl_gamma           4.0    
-        log_k           +13.2967
-	-delta_H	-64.0152	kJ/mol	# Calculated enthalpy of reaction	LuF4-
-#	Enthalpy of formation:	-503.8 kcal/mol
-        -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+  =  LuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5950
-	-delta_H	-23.786	kJ/mol	# Calculated enthalpy of reaction	LuH2PO4+2
-#	Enthalpy of formation:	-482.4 kcal/mol
-        -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 HCO3-  =  LuHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	1.66523	kJ/mol	# Calculated enthalpy of reaction	LuHCO3+2
-#	Enthalpy of formation:	-332.4 kcal/mol
-        -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 HPO4--  =  LuHPO4+
-        -llnl_gamma           4.0    
-        log_k           +6.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Lu+++  =  LuNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5813
-	-delta_H	-41.7187	kJ/mol	# Calculated enthalpy of reaction	LuNO3+2
-#	Enthalpy of formation:	-227.3 kcal/mol
-        -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 H2O  =  LuO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.3108
-	-delta_H	99.6503	kJ/mol	# Calculated enthalpy of reaction	LuO+
-#	Enthalpy of formation:	-212.4 kcal/mol
-        -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Lu+++  =  LuO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31.9411
-	-delta_H	258.713	kJ/mol	# Calculated enthalpy of reaction	LuO2-
-#	Enthalpy of formation:	-242.7 kcal/mol
-        -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Lu+++  =  LuO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.878
-	-delta_H	206.832	kJ/mol	# Calculated enthalpy of reaction	LuO2H
-#	Enthalpy of formation:	-255.1 kcal/mol
-        -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 H2O  =  LuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6143
-	-delta_H	72.0359	kJ/mol	# Calculated enthalpy of reaction	LuOH+2
-#	Enthalpy of formation:	-219 kcal/mol
-        -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001
-#       -Range:  0-300
-
-1.0000 Lu+++ + 1.0000 HPO4--  =  LuPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Lu+++  =  LuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	19.5393	kJ/mol	# Calculated enthalpy of reaction	LuSO4+
-#	Enthalpy of formation:	-380.63 kcal/mol
-        -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Mg++  =  Mg(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.473
-	-delta_H	-23.8195	kJ/mol	# Calculated enthalpy of reaction	Mg(CH3COO)2
-#	Enthalpy of formation:	-349.26 kcal/mol
-        -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005
-#       -Range:  0-300
-
-4.0000 Mg++ + 4.0000 H2O  =  Mg4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -39.75
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg4(OH)4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3  =  MgB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3467
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgB(OH)4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 CH3COOH  =  MgCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4781
-	-delta_H	-8.42239	kJ/mol	# Calculated enthalpy of reaction	MgAcetate+
-#	Enthalpy of formation:	-229.48 kcal/mol
-        -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 HCO3-  =  MgCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3499
-	-delta_H	23.8279	kJ/mol	# Calculated enthalpy of reaction	MgCO3
-#	Enthalpy of formation:	-270.57 kcal/mol
-        -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 Cl-  =  MgCl+
-        -llnl_gamma           4.0    
-        log_k           -0.1349
-	-delta_H	-0.58576	kJ/mol	# Calculated enthalpy of reaction	MgCl+
-#	Enthalpy of formation:	-151.44 kcal/mol
-        -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 F-  =  MgF+
-        -llnl_gamma           4.0    
-        log_k           +1.3524
-	-delta_H	2.37233	kJ/mol	# Calculated enthalpy of reaction	MgF+
-#	Enthalpy of formation:	-190.95 kcal/mol
-        -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+  =  MgH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.6600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 HCO3-  =  MgHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.0357
-	-delta_H	2.15476	kJ/mol	# Calculated enthalpy of reaction	MgHCO3+
-#	Enthalpy of formation:	-275.75 kcal/mol
-        -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 HPO4--  =  MgHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.9100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Mg++  =  MgP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.4727
-	-delta_H	38.5451	kJ/mol	# Calculated enthalpy of reaction	MgP2O7-2
-#	Enthalpy of formation:	-2725.74 kJ/mol
-        -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002
-#       -Range:  0-300
-
-1.0000 Mg++ + 1.0000 HPO4--  =  MgPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7328
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Mg++  =  MgSO4
-        -llnl_gamma           3.0    
-        log_k           +2.4117
-	-delta_H	19.6051	kJ/mol	# Calculated enthalpy of reaction	MgSO4
-#	Enthalpy of formation:	-1355.96 kJ/mol
-        -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001
-#       -Range:  0-200
-
-2.0000 CH3COOH + 1.0000 Mn++  =  Mn(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4547
-	-delta_H	-11.4893	kJ/mol	# Calculated enthalpy of reaction	Mn(CH3COO)2
-#	Enthalpy of formation:	-287.67 kcal/mol
-        -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Mn++  =  Mn(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.8747
-	-delta_H	-30.3591	kJ/mol	# Calculated enthalpy of reaction	Mn(CH3COO)3-
-#	Enthalpy of formation:	-408.28 kcal/mol
-        -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006
-#       -Range:  0-300
-
-2.0000 NO3- + 1.0000 Mn++  =  Mn(NO3)2
-        -llnl_gamma           3.0    
-        log_k           +0.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(NO3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Mn++  =  Mn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -22.2
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Mn++  =  Mn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.2278
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Mn++  =  Mn(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -48.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 2.0000 Mn++  =  Mn2(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.9
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2(OH)3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Mn++ + 1.0000 H2O  =  Mn2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -10.56
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 CH3COOH  =  MnCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.5404
-	-delta_H	-3.07942	kJ/mol	# Calculated enthalpy of reaction	MnCH3COO+
-#	Enthalpy of formation:	-169.56 kcal/mol
-        -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005
-#       -Range:  0-300
-
-1.0000 Mn++ + 1.0000 HCO3-  =  MnCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.8088
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 Cl-  =  MnCl+
-        -llnl_gamma           4.0    
-        log_k           +0.3013
-	-delta_H	18.3134	kJ/mol	# Calculated enthalpy of reaction	MnCl+
-#	Enthalpy of formation:	-88.28 kcal/mol
-        -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Mn++  =  MnCl3-
-        -llnl_gamma           4.0    
-        log_k           -0.3324
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCl3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 F-  =  MnF+
-        -llnl_gamma           4.0    
-        log_k           +1.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+  =  MnH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +8.5554
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HCO3-  =  MnHCO3+
-        -llnl_gamma           4.0    
-        log_k           +0.8816
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4--  =  MnHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.5800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Mn++  =  MnNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.5000 H2O + 1.2500 O2 + 1.0000 Mn++  =  MnO4- +3.0000 H+
-        -llnl_gamma           3.5    
-        log_k           -20.2963
-	-delta_H	123.112	kJ/mol	# Calculated enthalpy of reaction	MnO4-
-#	Enthalpy of formation:	-129.4 kcal/mol
-        -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005
-#       -Range:  0-300
-
-1.0000 Mn++ + 1.0000 H2O  =  MnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.59
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4--  =  MnPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.1318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Mn++  =  MnSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3529
-	-delta_H	14.1168	kJ/mol	# Calculated enthalpy of reaction	MnSO4
-#	Enthalpy of formation:	-266.75 kcal/mol
-        -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002
-#       -Range:  0-300
-
-1.0000 SeO4-- + 1.0000 Mn++  =  MnSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 NH3  =  NH4(CH3COO)2- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.1928
-	-delta_H	-56.735	kJ/mol	# Calculated enthalpy of reaction	NH4(CH3COO)2-
-#	Enthalpy of formation:	-265.2 kcal/mol
-        -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006
-#       -Range:  0-300
-
-1.0000 NH3 + 1.0000 H+  =  NH4+
-        -llnl_gamma           2.5    
-        log_k           +9.2410
-	-delta_H	-51.9234	kJ/mol	# Calculated enthalpy of reaction	NH4+
-#	Enthalpy of formation:	-31.85 kcal/mol
-        -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001
-#       -Range:  0-300
-
-1.0000 NH3 + 1.0000 CH3COOH  =  NH4CH3COO
-        -llnl_gamma           3.0    
-        log_k           +4.6964
-	-delta_H	-48.911	kJ/mol	# Calculated enthalpy of reaction	NH4CH3COO
-#	Enthalpy of formation:	-147.23 kcal/mol
-        -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+  =  NH4SO4-
-        -llnl_gamma           4.0    
-        log_k           +0.9400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sb(OH)3 + 1.0000 NH3  =  NH4SbO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           -2.5797
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SbO2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Na+  =  Na(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.9989
-	-delta_H	-11.5771	kJ/mol	# Calculated enthalpy of reaction	Na(CH3COO)2-
-#	Enthalpy of formation:	-292.4 kcal/mol
-        -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002
-#       -Range:  0-300
-
-1.0000 O_phthalate-2 + 1.0000 Na+  =  Na(O_phthalate)-
-        -llnl_gamma           4.0    
-        log_k           +0.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na(O_phthalate)-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Na+ + 2.0000 HPO4--  =  Na2P2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +0.4437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2P2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++  =  NaAlO2 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.6266
-	-delta_H	190.326	kJ/mol	# Calculated enthalpy of reaction	NaAlO2
-#	Enthalpy of formation:	-277.259 kcal/mol
-        -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3  =  NaB(OH)4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.974
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaB(OH)4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Na+ + 1.0000 Br-  =  NaBr
-        -llnl_gamma           3.0    
-        log_k           -1.3568
-	-delta_H	6.87431	kJ/mol	# Calculated enthalpy of reaction	NaBr
-#	Enthalpy of formation:	-84.83 kcal/mol
-        -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 CH3COOH  =  NaCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.8606
-	-delta_H	-0.029288	kJ/mol	# Calculated enthalpy of reaction	NaCH3COO
-#	Enthalpy of formation:	-173.54 kcal/mol
-        -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 HCO3-  =  NaCO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.8144
-	-delta_H	-5.6521	kJ/mol	# Calculated enthalpy of reaction	NaCO3-
-#	Enthalpy of formation:	-935.885 kJ/mol
-        -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 Cl-  =  NaCl
-        -llnl_gamma           3.0    
-        log_k           -0.777
-	-delta_H	5.21326	kJ/mol	# Calculated enthalpy of reaction	NaCl
-#	Enthalpy of formation:	-96.12 kcal/mol
-        -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 F-  =  NaF
-        -llnl_gamma           3.0    
-        log_k           -0.9976
-	-delta_H	7.20903	kJ/mol	# Calculated enthalpy of reaction	NaF
-#	Enthalpy of formation:	-135.86 kcal/mol
-        -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 HCO3-  =  NaHCO3
-        -llnl_gamma           3.0    
-        log_k           +0.1541
-	-delta_H	-13.7741	kJ/mol	# Calculated enthalpy of reaction	NaHCO3
-#	Enthalpy of formation:	-944.007 kJ/mol
-        -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001
-#       -Range:  0-200
-
-2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+  =  NaHP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +6.8498
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHP2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Na+ + 1.0000 HPO4--  =  NaHPO4-
-        -llnl_gamma           4.0    
-        log_k           +0.9200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O  =  NaHSiO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.304
-	-delta_H	11.6524	kJ/mol	# Calculated enthalpy of reaction	NaHSiO3
-#	Enthalpy of formation:	-332.74 kcal/mol
-        -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 I-  =  NaI
-        -llnl_gamma           3.0    
-        log_k           -1.54
-	-delta_H	7.33455	kJ/mol	# Calculated enthalpy of reaction	NaI
-#	Enthalpy of formation:	-69.28 kcal/mol
-        -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001
-#       -Range:  0-300
-
-1.0000 Na+ + 1.0000 H2O  =  NaOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -14.7948
-	-delta_H	53.6514	kJ/mol	# Calculated enthalpy of reaction	NaOH
-#	Enthalpy of formation:	-112.927 kcal/mol
-        -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001
-#       -Range:  0-300
-
-2.0000 HPO4-- + 1.0000 Na+  =  NaP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -1.4563
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaP2O7-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Na+  =  NaSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.8200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaSO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Nd+++  =  Nd(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9771
-	-delta_H	-22.6354	kJ/mol	# Calculated enthalpy of reaction	Nd(CH3COO)2+
-#	Enthalpy of formation:	-404.11 kcal/mol
-        -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Nd+++  =  Nd(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.2976
-	-delta_H	-38.8694	kJ/mol	# Calculated enthalpy of reaction	Nd(CH3COO)3
-#	Enthalpy of formation:	-524.09 kcal/mol
-        -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Nd+++  =  Nd(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.0576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with NdO2-
-#4.0000 H2O + 1.0000 Nd+++  =  Nd(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -37.0803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)4-
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.1437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Nd+++  =  Nd(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           -255.7478
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Nd+++ + 2.0000 H2O  =  Nd2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -13.8902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Nd+++ + 1.0000 CH3COOH  =  NdCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0891
-	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	NdCH3COO+2
-#	Enthalpy of formation:	-285.47 kcal/mol
-        -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 HCO3-  =  NdCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.6256
-	-delta_H	91.6212	kJ/mol	# Calculated enthalpy of reaction	NdCO3+
-#	Enthalpy of formation:	-309.5 kcal/mol
-        -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 Cl-  =  NdCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	NdCl+2
-#	Enthalpy of formation:	-203 kcal/mol
-        -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Nd+++  =  NdCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	NdCl2+
-#	Enthalpy of formation:	-241.5 kcal/mol
-        -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Nd+++  =  NdCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3203
-	-delta_H	15.0582	kJ/mol	# Calculated enthalpy of reaction	NdCl3
-#	Enthalpy of formation:	-282.7 kcal/mol
-        -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Nd+++  =  NdCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-3.21331	kJ/mol	# Calculated enthalpy of reaction	NdCl4-
-#	Enthalpy of formation:	-327 kcal/mol
-        -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 F-  =  NdF++
-        -llnl_gamma           4.5    
-        log_k           +4.3687
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	NdF+2
-#	Enthalpy of formation:	-241.2 kcal/mol
-        -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Nd+++  =  NdF2+
-        -llnl_gamma           4.0    
-        log_k           +7.5646
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	NdF2+
-#	Enthalpy of formation:	-323.5 kcal/mol
-        -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Nd+++  =  NdF3
-        -llnl_gamma           3.0    
-        log_k           +9.8809
-	-delta_H	-8.1588	kJ/mol	# Calculated enthalpy of reaction	NdF3
-#	Enthalpy of formation:	-408.9 kcal/mol
-        -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Nd+++  =  NdF4-
-        -llnl_gamma           4.0    
-        log_k           +11.8307
-	-delta_H	-48.5344	kJ/mol	# Calculated enthalpy of reaction	NdF4-
-#	Enthalpy of formation:	-498.7 kcal/mol
-        -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+  =  NdH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5152
-	-delta_H	-15.736	kJ/mol	# Calculated enthalpy of reaction	NdH2PO4+2
-#	Enthalpy of formation:	-479.076 kcal/mol
-        -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 HCO3-  =  NdHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.8457
-	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	NdHCO3+2
-#	Enthalpy of formation:	-329.2 kcal/mol
-        -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 HPO4--  =  NdHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Nd+++ + 1.0000 NO3-  =  NdNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.7902
-	-delta_H	-27.8529	kJ/mol	# Calculated enthalpy of reaction	NdNO3+2
-#	Enthalpy of formation:	-222.586 kcal/mol
-        -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 H2O  =  NdO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.0701
-	-delta_H	116.386	kJ/mol	# Calculated enthalpy of reaction	NdO+
-#	Enthalpy of formation:	-207 kcal/mol
-        -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002
-#       -Range:  0-300
-2.0000 H2O + 1.0000 Nd+++  =  NdO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -37.0721
-	-delta_H	298.88	kJ/mol	# Calculated enthalpy of reaction	NdO2-
-#	Enthalpy of formation:	-231.7 kcal/mol
-        -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Nd+++  =  NdO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.3702
-	-delta_H	230.681	kJ/mol	# Calculated enthalpy of reaction	NdO2H
-#	Enthalpy of formation:	-248 kcal/mol
-        -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 H2O  =  NdOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.1274
-	-delta_H	80.8223	kJ/mol	# Calculated enthalpy of reaction	NdOH+2
-#	Enthalpy of formation:	-215.5 kcal/mol
-        -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001
-#       -Range:  0-300
-
-1.0000 Nd+++ + 1.0000 HPO4--  =  NdPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.5218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Nd+++  =  NdSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	NdSO4+
-#	Enthalpy of formation:	-379.1 kcal/mol
-        -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Ni++  =  Ni(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.1908
-	-delta_H	-25.8571	kJ/mol	# Calculated enthalpy of reaction	Ni(CH3COO)2
-#	Enthalpy of formation:	-251.28 kcal/mol
-        -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Ni++  =  Ni(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.3543
-	-delta_H	-53.6807	kJ/mol	# Calculated enthalpy of reaction	Ni(CH3COO)3-
-#	Enthalpy of formation:	-374.03 kcal/mol
-        -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006
-#       -Range:  0-300
-
-2.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +5.0598
-	-delta_H	-29.7505	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)2+2
-#	Enthalpy of formation:	-246.398 kJ/mol
-        -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001
-#       -Range:  0-300
-
-6.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)6++
-        -llnl_gamma           4.5    
-        log_k           +8.7344
-	-delta_H	-88.0436	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)6+2
-#	Enthalpy of formation:	-630.039 kJ/mol
-        -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001
-#       -Range:  0-300
-
-2.0000 NO3- + 1.0000 Ni++  =  Ni(NO3)2
-        -llnl_gamma           3.0    
-        log_k           +0.1899
-	-delta_H	-1.54153	kJ/mol	# Calculated enthalpy of reaction	Ni(NO3)2
-#	Enthalpy of formation:	-469.137 kJ/mol
-        -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001
-#       -Range:  0-200
-
-2.0000 H2O + 1.0000 Ni++  =  Ni(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -19.9902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Ni++  =  Ni(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -30.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Ni++ + 1.0000 H2O  =  Ni2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -10.7
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Ni++ + 4.0000 H2O  =  Ni4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -27.6803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni4(OH)4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 Br-  =  NiBr+
-        -llnl_gamma           4.0    
-        log_k           -0.37
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiBr+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 CH3COOH  =  NiCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.3278
-	-delta_H	-10.2508	kJ/mol	# Calculated enthalpy of reaction	NiCH3COO+
-#	Enthalpy of formation:	-131.45 kcal/mol
-        -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005
-#       -Range:  0-300
-
-1.0000 Ni++ + 1.0000 Cl-  =  NiCl+
-        -llnl_gamma           4.0    
-        log_k           -0.9962
-	-delta_H	5.99567	kJ/mol	# Calculated enthalpy of reaction	NiCl+
-#	Enthalpy of formation:	-51.4 kcal/mol
-        -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001
-#       -Range:  0-300
-
-2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+  =  NiHP2O7- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +9.2680
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiHP2O7-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 NO3-  =  NiNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ni++  =  NiP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.1012
-	-delta_H	9.68819	kJ/mol	# Calculated enthalpy of reaction	NiP2O7-2
-#	Enthalpy of formation:	-2342.61 kJ/mol
-        -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 Ni++  =  NiSO4
-        -llnl_gamma           3.0    
-        log_k           +2.1257
-	-delta_H	2.36814	kJ/mol	# Calculated enthalpy of reaction	NiSO4
-#	Enthalpy of formation:	-229.734 kcal/mol
-        -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001
-#       -Range:  0-200
-
-1.0000 SeO4-- + 1.0000 Ni++  =  NiSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.6700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiSeO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 Np++++  =  Np(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.344
-	-delta_H	92.7067	kJ/mol	# Calculated enthalpy of reaction	Np(CO3)5-6
-#	Enthalpy of formation:	-935.22 kcal/mol
-        -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002
-#       -Range:  0-300
-
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)2+
-        -llnl_gamma           4.0    
-        log_k           +3.7000
-	-delta_H	-1.55258	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)2+
-#	Enthalpy of formation:	-743.981 kcal/mol
-        -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002
-#       -Range: 25-150
-
-3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)3
-        -llnl_gamma           3.0    
-        log_k           +5.6000
-	-delta_H	-21.8575	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)3
-#	Enthalpy of formation:	-1057.65 kcal/mol
-        -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002
-#       -Range: 25-150
-
-2.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +23.7000
-	-delta_H	-35.24	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
-#	Enthalpy of formation:	-758.94 kcal/mol
-        -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001
-#       -Range: 25-150
-
-3.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +33.4000
-	-delta_H	-44.9093	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)3-2
-#	Enthalpy of formation:	-1070.07 kcal/mol
-        -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002
-#       -Range: 25-150
-
-4.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)4----
-        -llnl_gamma           4.0    
-        log_k           +43.2000
-	-delta_H	-67.0803	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)4-4
-#	Enthalpy of formation:	-1384.18 kcal/mol
-        -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003
-#       -Range: 25-150
-
-5.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)5-6
-        -llnl_gamma           4.0    
-        log_k           +52.0000
-	-delta_H	-83.5401	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)5-6
-#	Enthalpy of formation:	-1696.93 kcal/mol
-        -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003
-#       -Range: 25-150
-
-2.0000 H2O + 1.0000 Np++++  =  Np(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.8
-	-delta_H	77.0669	kJ/mol	# Calculated enthalpy of reaction	Np(OH)2+2
-#	Enthalpy of formation:	-251.102 kcal/mol
-        -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003
-#       -Range: 25-150
-
-3.0000 H2O + 1.0000 Np++++  =  Np(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.8
-	-delta_H	99.5392	kJ/mol	# Calculated enthalpy of reaction	Np(OH)3+
-#	Enthalpy of formation:	-314.048 kcal/mol
-        -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003
-#       -Range: 25-150
-
-4.0000 H2O + 1.0000 Np++++  =  Np(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.6
-	-delta_H	109.585	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
-#	Enthalpy of formation:	-379.964 kcal/mol
-        -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003
-#       -Range: 25-150
-
-2.0000 SO4-- + 1.0000 Np++++  =  Np(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +9.9000
-	-delta_H	40.005	kJ/mol	# Calculated enthalpy of reaction	Np(SO4)2
-#	Enthalpy of formation:	-558.126 kcal/mol
-        -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002
-#       -Range: 25-150
-
-1.0000 Np++++ + 1.0000 Cl-  =  NpCl+++
-        -llnl_gamma           5.0    
-        log_k           +0.2000
-	-delta_H	20.3737	kJ/mol	# Calculated enthalpy of reaction	NpCl+3
-#	Enthalpy of formation:	-167.951 kcal/mol
-        -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002
-#       -Range: 25-150
-
-2.0000 Cl- + 1.0000 Np++++  =  NpCl2++
-        -llnl_gamma           4.5    
-        log_k           -0.1
-	-delta_H	94.5853	kJ/mol	# Calculated enthalpy of reaction	NpCl2+2
-#	Enthalpy of formation:	-190.147 kcal/mol
-        -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002
-#       -Range: 25-150
-
-1.0000 Np++++ + 1.0000 F-  =  NpF+++
-        -llnl_gamma           5.0    
-        log_k           +8.7000
-	-delta_H	-3.43746	kJ/mol	# Calculated enthalpy of reaction	NpF+3
-#	Enthalpy of formation:	-213.859 kcal/mol
-        -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005
-#       -Range: 25-150
-
-2.0000 F- + 1.0000 Np++++  =  NpF2++
-        -llnl_gamma           4.5    
-        log_k           +15.4000
-	-delta_H	6.03094	kJ/mol	# Calculated enthalpy of reaction	NpF2+2
-#	Enthalpy of formation:	-291.746 kcal/mol
-        -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002
-#       -Range: 25-150
-
-1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+  =  NpH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +2.4000
-	-delta_H	6.0874	kJ/mol	# Calculated enthalpy of reaction	NpH2PO4+2
-#	Enthalpy of formation:	-433.34 kcal/mol
-        -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003
-#       -Range: 25-150
-
-1.0000 Np++++ + 1.0000 HPO4--  =  NpHPO4++
-        -llnl_gamma           4.5    
-        log_k           +12.9000
-	-delta_H	7.54554	kJ/mol	# Calculated enthalpy of reaction	NpHPO4+2
-#	Enthalpy of formation:	-439.899 kcal/mol
-        -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003
-#       -Range: 25-150
-
-2.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.6576
-	-delta_H	57.2588	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-2
-#	Enthalpy of formation:	-521.77 kcal/mol
-        -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.6576
-	-delta_H	58.1553	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-3
-#	Enthalpy of formation:	-549.642 kcal/mol
-        -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002
-#       -Range:  0-300
-
-3.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)3-5 +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.4864
-	-delta_H	70.176	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-5
-#	Enthalpy of formation:	-711.667 kcal/mol
-        -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002
-#       -Range:  0-300
-
-3.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)3---- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.5864
-	-delta_H	3.14711	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-4
-#	Enthalpy of formation:	-699.601 kcal/mol
-        -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002
-#       -Range:  0-300
-
-1.0000 NpO2+ + 1.0000 HCO3-  =  NpO2CO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7288
-	-delta_H	69.1634	kJ/mol	# Calculated enthalpy of reaction	NpO2CO3-
-#	Enthalpy of formation:	-382.113 kcal/mol
-        -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002
-#       -Range:  0-300
-
-1.0000 NpO2+ + 1.0000 Cl-  =  NpO2Cl
-        -llnl_gamma           3.0    
-        log_k           -0.4
-	-delta_H	15.4492	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl
-#	Enthalpy of formation:	-269.986 kcal/mol
-        -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002
-#       -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 Cl-  =  NpO2Cl+
-        -llnl_gamma           4.0    
-        log_k           -0.2
-	-delta_H	11.6239	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl+
-#	Enthalpy of formation:	-242.814 kcal/mol
-        -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002
-#       -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 F-  =  NpO2F
-        -llnl_gamma           3.0    
-        log_k           +1.0000
-	-delta_H	34.2521	kJ/mol	# Calculated enthalpy of reaction	NpO2F
-#	Enthalpy of formation:	-305.709 kcal/mol
-        -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001
-#       -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 F-  =  NpO2F+
-        -llnl_gamma           4.0    
-        log_k           +4.6000
-	-delta_H	0.883568	kJ/mol	# Calculated enthalpy of reaction	NpO2F+
-#	Enthalpy of formation:	-285.598 kcal/mol
-        -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002
-#       -Range: 25-150
-
-2.0000 F- + 1.0000 NpO2++  =  NpO2F2
-        -llnl_gamma           3.0    
-        log_k           +7.8000
-	-delta_H	2.60319	kJ/mol	# Calculated enthalpy of reaction	NpO2F2
-#	Enthalpy of formation:	-365.337 kcal/mol
-        -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001
-#       -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4
-        -llnl_gamma           3.0    
-        log_k           +0.6000
-	-delta_H	18.717	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4
-#	Enthalpy of formation:	-538.087 kcal/mol
-        -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002
-#       -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +2.3000
-	-delta_H	9.31014	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4+
-#	Enthalpy of formation:	-512.249 kcal/mol
-        -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003
-#       -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 HPO4--  =  NpO2HPO4
-        -llnl_gamma           3.0    
-        log_k           +8.2000
-	-delta_H	-6.47609	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4
-#	Enthalpy of formation:	-516.022 kcal/mol
-        -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003
-#       -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 HPO4--  =  NpO2HPO4-
-        -llnl_gamma           4.0    
-        log_k           +3.5000
-	-delta_H	49.8668	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4-
-#	Enthalpy of formation:	-530.642 kcal/mol
-        -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003
-#       -Range: 25-150
-
-1.0000 NpO2+ + 1.0000 H2O  =  NpO2OH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.9
-	-delta_H	43.6285	kJ/mol	# Calculated enthalpy of reaction	NpO2OH
-#	Enthalpy of formation:	-291.635 kcal/mol
-        -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002
-#       -Range: 25-150
-
-1.0000 NpO2++ + 1.0000 H2O  =  NpO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.2
-	-delta_H	43.3805	kJ/mol	# Calculated enthalpy of reaction	NpO2OH+
-#	Enthalpy of formation:	-263.608 kcal/mol
-        -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002
-#       -Range: 25-150
-
-1.0000 SO4-- + 1.0000 NpO2++  =  NpO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.3000
-	-delta_H	19.8789	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4
-#	Enthalpy of formation:	-418.308 kcal/mol
-        -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002
-#       -Range: 25-150
-
-1.0000 SO4-- + 1.0000 NpO2+  =  NpO2SO4-
-        -llnl_gamma           4.0    
-        log_k           +0.4000
-	-delta_H	19.1395	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4-
-#	Enthalpy of formation:	-446.571 kcal/mol
-        -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002
-#       -Range: 25-150
-
-1.0000 Np+++ + 1.0000 H2O  =  NpOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7
-	-delta_H	50.1031	kJ/mol	# Calculated enthalpy of reaction	NpOH+2
-#	Enthalpy of formation:	-182.322 kcal/mol
-        -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002
-#       -Range: 25-150
-
-1.0000 Np++++ + 1.0000 H2O  =  NpOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -1
-	-delta_H	51.0089	kJ/mol	# Calculated enthalpy of reaction	NpOH+3
-#	Enthalpy of formation:	-189.013 kcal/mol
-        -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001
-#       -Range: 25-150
-
-1.0000 SO4-- + 1.0000 Np++++  =  NpSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.5000
-	-delta_H	20.7377	kJ/mol	# Calculated enthalpy of reaction	NpSO4+2
-#	Enthalpy of formation:	-345.331 kcal/mol
-        -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002
-#       -Range: 25-150
-
-1.0000 H2O  =  OH- +1.0000 H+
-        -llnl_gamma           3.5    
-        log_k           -13.9951
-	-delta_H	55.8146	kJ/mol	# Calculated enthalpy of reaction	OH-
-#	Enthalpy of formation:	-54.977 kcal/mol
-        -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001
-#       -Range:  0-300
-
-2.0000 HPO4--  =  P2O7---- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -3.7463
-	-delta_H	27.2256	kJ/mol	# Calculated enthalpy of reaction	P2O7-4
-#	Enthalpy of formation:	-2271.1 kJ/mol
-        -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002
-#       -Range:  0-300
-
-3.0000 H+ + 1.0000 HPO4--  =  PH4+ +2.0000 O2
-        -llnl_gamma           4.0    
-        log_k           -212.7409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PH4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 F-  =  PO3F-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +7.1993
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PO3F-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4--  =  PO4--- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.3218
-	-delta_H	14.7068	kJ/mol	# Calculated enthalpy of reaction	PO4-3
-#	Enthalpy of formation:	-305.3 kcal/mol
-        -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000
-#       -Range:  0-300
-
-2.0000 BrO3- + 1.0000 Pb++  =  Pb(BrO3)2
-        -llnl_gamma           3.0    
-        log_k           +5.1939
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(BrO3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Pb++  =  Pb(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.1133
-	-delta_H	10.5437	kJ/mol	# Calculated enthalpy of reaction	Pb(CH3COO)2
-#	Enthalpy of formation:	-229.46 kcal/mol
-        -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Pb++  =  Pb(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.972
-	-delta_H	-2.84512	kJ/mol	# Calculated enthalpy of reaction	Pb(CH3COO)3-
-#	Enthalpy of formation:	-348.76 kcal/mol
-        -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Pb++  =  Pb(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 ClO3- + 1.0000 Pb++  =  Pb(ClO3)2
-        -llnl_gamma           3.0    
-        log_k           -0.5133
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Pb++  =  Pb(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -17.0902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Pb++  =  Pb(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -28.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Pb++  =  Pb(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.2455
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Pb++ + 1.0000 H2O  =  Pb2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -6.3951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Pb++  =  Pb3(OH)4++ +4.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -23.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Pb++ + 4.0000 H2O  =  Pb4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -20.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-8.0000 H2O + 6.0000 Pb++  =  Pb6(OH)8++++ +8.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -43.5606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 Br-  =  PbBr+
-        -llnl_gamma           4.0    
-        log_k           +1.1831
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Pb++  =  PbBr2
-        -llnl_gamma           3.0    
-        log_k           +1.5062
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Pb++  =  PbBr3-
-        -llnl_gamma           4.0    
-        log_k           +1.2336
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 BrO3-  =  PbBrO3+
-        -llnl_gamma           4.0    
-        log_k           +1.9373
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 CH3COOH  =  PbCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.3603
-	-delta_H	-2.33147e-15	kJ/mol	# Calculated enthalpy of reaction	PbCH3COO+
-#	Enthalpy of formation:	-115.88 kcal/mol
-        -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004
-#       -Range:  0-300
-
-1.0000 Pb++ + 1.0000 HCO3-  =  PbCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.7488
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 Cl-  =  PbCl+
-        -llnl_gamma           4.0    
-        log_k           +1.4374
-	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
-#	Enthalpy of formation:	-38.63 kcal/mol
-        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Pb++  =  PbCl2
-        -llnl_gamma           3.0    
-        log_k           +2.0026
-	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
-#	Enthalpy of formation:	-77.7 kcal/mol
-        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Pb++  =  PbCl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6881
-	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
-#	Enthalpy of formation:	-117.7 kcal/mol
-        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Pb++  =  PbCl4--
-        -llnl_gamma           4.0    
-        log_k           +1.4909
-	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
-#	Enthalpy of formation:	-161.23 kcal/mol
-        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
-#       -Range:  0-300
-
-1.0000 Pb++ + 1.0000 ClO3-  =  PbClO3+
-        -llnl_gamma           4.0    
-        log_k           -0.2208
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 F-  =  PbF+
-        -llnl_gamma           4.0    
-        log_k           +0.8284
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Pb++  =  PbF2
-        -llnl_gamma           3.0    
-        log_k           +1.6132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+  =  PbH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 HPO4--  =  PbHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 I-  =  PbI+
-        -llnl_gamma           4.0    
-        log_k           +1.9597
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Pb++  =  PbI2
-        -llnl_gamma           3.0    
-        log_k           +2.7615
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Pb++  =  PbI3-
-        -llnl_gamma           4.0    
-        log_k           +3.3355
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Pb++  =  PbI4--
-        -llnl_gamma           4.0    
-        log_k           +4.0672
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 NO3-  =  PbNO3+
-        -llnl_gamma           4.0    
-        log_k           +1.2271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 H2O  =  PbOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.6951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pb++  =  PbP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +7.4136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Thiocyanate- + 1.0000 Pb++  =  PbThiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +0.9827
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbThiocyanate+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pd++ + 1.0000 Cl-  =  PdCl+
-        -llnl_gamma           4.0    
-        log_k           +6.0993
-	-delta_H	-31.995	kJ/mol	# Calculated enthalpy of reaction	PdCl+
-#	Enthalpy of formation:	-5.5 kcal/mol
-        -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Pd++  =  PdCl2
-        -llnl_gamma           3.0    
-        log_k           +10.7327
-	-delta_H	-66.1658	kJ/mol	# Calculated enthalpy of reaction	PdCl2
-#	Enthalpy of formation:	-53.6 kcal/mol
-        -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Pd++  =  PdCl3-
-        -llnl_gamma           4.0    
-        log_k           +13.0937
-	-delta_H	-101.592	kJ/mol	# Calculated enthalpy of reaction	PdCl3-
-#	Enthalpy of formation:	-102 kcal/mol
-        -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Pd++  =  PdCl4--
-        -llnl_gamma           4.0    
-        log_k           +15.1615
-	-delta_H	-152.08	kJ/mol	# Calculated enthalpy of reaction	PdCl4-2
-#	Enthalpy of formation:	-154 kcal/mol
-        -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002
-#       -Range:  0-300
-
-1.0000 Pd++ + 1.0000 H2O  =  PdO +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -2.19
-	-delta_H	6.43081	kJ/mol	# Calculated enthalpy of reaction	PdO
-#	Enthalpy of formation:	-24.7 kcal/mol
-        -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001
-#       -Range:  0-300
-
-1.0000 Pd++ + 1.0000 H2O  =  PdOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -1.0905
-	-delta_H	-3.19239	kJ/mol	# Calculated enthalpy of reaction	PdOH+
-#	Enthalpy of formation:	-27 kcal/mol
-        -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Pm+++  =  Pm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.9576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Pm+++  =  Pm(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.7902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Pm+++  =  Pm(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.1852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.6837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Pm+++  =  Pm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HCO3-  =  PmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.6288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 Cl-  =  PmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCl+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 F-  =  PmF++
-        -llnl_gamma           4.5    
-        log_k           +3.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+  =  PmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmH2PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HCO3-  =  PmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +2.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHCO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4--  =  PmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 NO3-  =  PmNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmNO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 H2O  =  PmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4--  =  PmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.3718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Pm+++  =  PmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Pr+++  =  Pr(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.8525
-	-delta_H	-23.8906	kJ/mol	# Calculated enthalpy of reaction	Pr(CH3COO)2+
-#	Enthalpy of formation:	-406.71 kcal/mol
-        -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Pr+++  =  Pr(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.2023
-	-delta_H	-40.3756	kJ/mol	# Calculated enthalpy of reaction	Pr(CH3COO)3
-#	Enthalpy of formation:	-526.75 kcal/mol
-        -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Pr+++  =  Pr(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.1076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.5637
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Pr+++  =  Pr(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pr+++ + 1.0000 CH3COOH  =  PrCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0451
-	-delta_H	-12.4683	kJ/mol	# Calculated enthalpy of reaction	PrAcetate+2
-#	Enthalpy of formation:	-287.88 kcal/mol
-        -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 HCO3-  =  PrCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7722
-	-delta_H	92.458	kJ/mol	# Calculated enthalpy of reaction	PrCO3+
-#	Enthalpy of formation:	-311.6 kcal/mol
-        -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 Cl-  =  PrCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	PrCl+2
-#	Enthalpy of formation:	-205.3 kcal/mol
-        -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Pr+++  =  PrCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	PrCl2+
-#	Enthalpy of formation:	-243.8 kcal/mol
-        -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Pr+++  =  PrCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3203
-	-delta_H	14.2214	kJ/mol	# Calculated enthalpy of reaction	PrCl3
-#	Enthalpy of formation:	-285.2 kcal/mol
-        -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Pr+++  =  PrCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-4.05011	kJ/mol	# Calculated enthalpy of reaction	PrCl4-
-#	Enthalpy of formation:	-329.5 kcal/mol
-        -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 F-  =  PrF++
-        -llnl_gamma           4.5    
-        log_k           +4.2221
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	PrF+2
-#	Enthalpy of formation:	-243.4 kcal/mol
-        -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Pr+++  =  PrF2+
-        -llnl_gamma           4.0    
-        log_k           +7.3447
-	-delta_H	14.644	kJ/mol	# Calculated enthalpy of reaction	PrF2+
-#	Enthalpy of formation:	-325.6 kcal/mol
-        -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Pr+++  =  PrF3
-        -llnl_gamma           3.0    
-        log_k           +9.6610
-	-delta_H	-6.4852	kJ/mol	# Calculated enthalpy of reaction	PrF3
-#	Enthalpy of formation:	-410.8 kcal/mol
-        -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Pr+++  =  PrF4-
-        -llnl_gamma           4.0    
-        log_k           +11.5375
-	-delta_H	-47.2792	kJ/mol	# Calculated enthalpy of reaction	PrF4-
-#	Enthalpy of formation:	-500.7 kcal/mol
-        -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+  =  PrH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5950
-	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	PrH2PO4+2
-#	Enthalpy of formation:	-481.5 kcal/mol
-        -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 HCO3-  =  PrHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	-12.9788	kJ/mol	# Calculated enthalpy of reaction	PrHCO3+2
-#	Enthalpy of formation:	-336.8 kcal/mol
-        -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 HPO4--  =  PrHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pr+++ + 1.0000 NO3-  =  PrNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.6546
-	-delta_H	-27.9115	kJ/mol	# Calculated enthalpy of reaction	PrNO3+2
-#	Enthalpy of formation:	-224.9 kcal/mol
-        -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 H2O  =  PrO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.29
-	-delta_H	117.642	kJ/mol	# Calculated enthalpy of reaction	PrO+
-#	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Pr+++  =  PrO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -37.5852
-	-delta_H	301.39	kJ/mol	# Calculated enthalpy of reaction	PrO2-
-#	Enthalpy of formation:	-233.4 kcal/mol
-        -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Pr+++  =  PrO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.5901
-	-delta_H	231.517	kJ/mol	# Calculated enthalpy of reaction	PrO2H
-#	Enthalpy of formation:	-250.1 kcal/mol
-        -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 H2O  =  PrOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.274
-	-delta_H	81.2407	kJ/mol	# Calculated enthalpy of reaction	PrOH+2
-#	Enthalpy of formation:	-217.7 kcal/mol
-        -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001
-#       -Range:  0-300
-
-1.0000 Pr+++ + 1.0000 HPO4--  =  PrPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.7218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Pr+++  =  PrSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	PrSO4+
-#	Enthalpy of formation:	-381.5 kcal/mol
-        -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002
-#       -Range:  0-300
-
-2.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +23.8483
-	-delta_H	25.9279	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
-#	Enthalpy of formation:	-3094.13 kJ/mol
-        -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002
-#       -Range:  0-200
-
-3.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +33.4599
-	-delta_H	-6.49412	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)3-2
-#	Enthalpy of formation:	-4418.63 kJ/mol
-        -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002
-#       -Range:  0-300
-
-4.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)4----
-        -llnl_gamma           4.0    
-        log_k           +43.2467
-	-delta_H	-77.4832	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)4-4
-#	Enthalpy of formation:	-5781.7 kJ/mol
-        -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Pu++++  =  Pu(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.3235
-	-delta_H	74.3477	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)2+2
-#	Enthalpy of formation:	-1033.22 kJ/mol
-        -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001
-#       -Range:  0-300
-
-3.0000 H2O + 1.0000 Pu++++  =  Pu(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.281
-	-delta_H	96.578	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3+
-#	Enthalpy of formation:	-1296.83 kJ/mol
-        -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002
-#       -Range:  0-300
-
-4.0000 H2O + 1.0000 Pu++++  =  Pu(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.5174
-	-delta_H	109.113	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
-#	Enthalpy of formation:	-1570.13 kJ/mol
-        -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002
-#       -Range:  0-200
-
-2.0000 SO4-- + 1.0000 Pu++++  =  Pu(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +10.2456
-	-delta_H	41.0122	kJ/mol	# Calculated enthalpy of reaction	Pu(SO4)2
-#	Enthalpy of formation:	-2314.08 kJ/mol
-        -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002
-#       -Range:  0-200
-
-2.0000 SO4-- + 1.0000 Pu+++  =  Pu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +6.3200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pu(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pu++++ + 1.0000 F-  =  PuF+++
-        -llnl_gamma           5.0    
-        log_k           +8.4600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Pu++++  =  PuF2++
-        -llnl_gamma           4.5    
-        log_k           +15.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Pu++++  =  PuF3+
-        -llnl_gamma           4.0    
-        log_k           +5.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Pu++++  =  PuF4
-        -llnl_gamma           3.0    
-        log_k           +4.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+  =  PuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6817
-	-delta_H	28.597	kJ/mol	# Calculated enthalpy of reaction	PuH2PO4+2
-#	Enthalpy of formation:	-1855.04 kJ/mol
-        -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002
-#       -Range:  0-300
-
-1.0000 Pu++++ + 1.0000 HPO4--  =  PuHPO4++
-        -llnl_gamma           4.5    
-        log_k           +13.0103
-	-delta_H	40.306	kJ/mol	# Calculated enthalpy of reaction	PuHPO4+2
-#	Enthalpy of formation:	-1787.67 kJ/mol
-        -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 PuO2++  =  PuO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7428
-	-delta_H	52.3345	kJ/mol	# Calculated enthalpy of reaction	PuO2(CO3)2-2
-#	Enthalpy of formation:	-2149.11 kJ/mol
-        -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002
-#       -Range:  0-300
-
-1.0000 PuO2++ + 1.0000 Cl-  =  PuO2Cl+
-        -llnl_gamma           4.0    
-        log_k           -0.2084
-	-delta_H	11.6127	kJ/mol	# Calculated enthalpy of reaction	PuO2Cl+
-#	Enthalpy of formation:	-977.045 kJ/mol
-        -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001
-#       -Range:  0-300
-
-1.0000 PuO2++ + 1.0000 F-  =  PuO2F+
-        -llnl_gamma           4.0    
-        log_k           +5.6674
-	-delta_H	-5.2094	kJ/mol	# Calculated enthalpy of reaction	PuO2F+
-#	Enthalpy of formation:	-1162.13 kJ/mol
-        -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 PuO2++  =  PuO2F2
-        -llnl_gamma           3.0    
-        log_k           +10.9669
-	-delta_H	-15.4738	kJ/mol	# Calculated enthalpy of reaction	PuO2F2
-#	Enthalpy of formation:	-1507.75 kJ/mol
-        -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001
-#       -Range:  0-200
-
-3.0000 F- + 1.0000 PuO2++  =  PuO2F3-
-        -llnl_gamma           4.0    
-        log_k           +15.9160
-	-delta_H	-29.4032	kJ/mol	# Calculated enthalpy of reaction	PuO2F3-
-#	Enthalpy of formation:	-1857.02 kJ/mol
-        -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 PuO2++  =  PuO2F4--
-        -llnl_gamma           4.0    
-        log_k           +18.7628
-	-delta_H	-39.9786	kJ/mol	# Calculated enthalpy of reaction	PuO2F4-2
-#	Enthalpy of formation:	-2202.95 kJ/mol
-        -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002
-#       -Range:  0-300
-
-1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+  =  PuO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +11.2059
-	-delta_H	-6.63904	kJ/mol	# Calculated enthalpy of reaction	PuO2H2PO4+
-#	Enthalpy of formation:	-2120.3 kJ/mol
-        -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001
-#       -Range:  0-300
-
-1.0000 PuO2+ + 1.0000 H2O  =  PuO2OH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.6674
-	-delta_H	69.1763	kJ/mol	# Calculated enthalpy of reaction	PuO2OH
-#	Enthalpy of formation:	-1130.85 kJ/mol
-        -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001
-#       -Range:  0-200
-
-1.0000 PuO2++ + 1.0000 H2O  =  PuO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.6379
-	-delta_H	45.2823	kJ/mol	# Calculated enthalpy of reaction	PuO2OH+
-#	Enthalpy of formation:	-1062.13 kJ/mol
-        -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 PuO2++  =  PuO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.2658
-	-delta_H	20.0746	kJ/mol	# Calculated enthalpy of reaction	PuO2SO4
-#	Enthalpy of formation:	-1711.11 kJ/mol
-        -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001
-#       -Range:  0-200
-
-1.0000 Pu+++ + 1.0000 H2O  =  PuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.968
-	-delta_H	53.5143	kJ/mol	# Calculated enthalpy of reaction	PuOH+2
-#	Enthalpy of formation:	-823.876 kJ/mol
-        -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005
-#       -Range:  0-300
-
-1.0000 Pu++++ + 1.0000 H2O  =  PuOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.5048
-	-delta_H	48.1823	kJ/mol	# Calculated enthalpy of reaction	PuOH+3
-#	Enthalpy of formation:	-773.549 kJ/mol
-        -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 Pu+++  =  PuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.4935
-	-delta_H	14.6006	kJ/mol	# Calculated enthalpy of reaction	PuSO4+
-#	Enthalpy of formation:	-1486.55 kJ/mol
-        -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001
-#       -Range:  0-300
-
-1.0000 SO4-- + 1.0000 Pu++++  =  PuSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.7710
-	-delta_H	12.3336	kJ/mol	# Calculated enthalpy of reaction	PuSO4+2
-#	Enthalpy of formation:	-1433.16 kJ/mol
-        -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Ra++  =  Ra(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9018
-	-delta_H	21.0874	kJ/mol	# Calculated enthalpy of reaction	Ra(CH3COO)2
-#	Enthalpy of formation:	-353.26 kcal/mol
-        -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005
-#       -Range:  0-300
-
-1.0000 Ra++ + 1.0000 CH3COOH  =  RaCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.709
-	-delta_H	11.7989	kJ/mol	# Calculated enthalpy of reaction	RaCH3COO+
-#	Enthalpy of formation:	-239.38 kcal/mol
-        -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Rb+  =  Rb(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7636
-	-delta_H	-1.12968	kJ/mol	# Calculated enthalpy of reaction	Rb(CH3COO)2-
-#	Enthalpy of formation:	-292.49 kcal/mol
-        -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001
-#       -Range:  0-300
-
-1.0000 Rb+ + 1.0000 Br-  =  RbBr
-        -llnl_gamma           3.0    
-        log_k           -1.2168
-	-delta_H	13.9327	kJ/mol	# Calculated enthalpy of reaction	RbBr
-#	Enthalpy of formation:	-85.73 kcal/mol
-        -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001
-#       -Range:  0-300
-
-1.0000 Rb+ + 1.0000 CH3COOH  =  RbCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.7279
-	-delta_H	4.89528	kJ/mol	# Calculated enthalpy of reaction	RbCH3COO
-#	Enthalpy of formation:	-174.95 kcal/mol
-        -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005
-#       -Range:  0-300
-
-1.0000 Rb+ + 1.0000 Cl-  =  RbCl
-        -llnl_gamma           3.0    
-        log_k           -0.9595
-	-delta_H	13.1922	kJ/mol	# Calculated enthalpy of reaction	RbCl
-#	Enthalpy of formation:	-96.8 kcal/mol
-        -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001
-#       -Range:  0-300
-
-1.0000 Rb+ + 1.0000 F-  =  RbF
-        -llnl_gamma           3.0    
-        log_k           +0.9602
-	-delta_H	1.92464	kJ/mol	# Calculated enthalpy of reaction	RbF
-#	Enthalpy of formation:	-139.71 kcal/mol
-        -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001
-#       -Range:  0-300
-
-1.0000 Rb+ + 1.0000 I-  =  RbI
-        -llnl_gamma           3.0    
-        log_k           -0.8136
-	-delta_H	7.1128	kJ/mol	# Calculated enthalpy of reaction	RbI
-#	Enthalpy of formation:	-71.92 kcal/mol
-        -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)2+
-        -llnl_gamma           4.0    
-        log_k           +3.7527
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)3
-        -llnl_gamma           3.0    
-        log_k           +4.2976
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Ru+++  =  Ru(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.5148
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru(OH)2++ + 1.0000 Cl-  =  Ru(OH)2Cl+
-        -llnl_gamma           4.0    
-        log_k           +1.3858
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl2
-        -llnl_gamma           3.0    
-        log_k           +1.8081
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6172
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl4--
-        -llnl_gamma           4.0    
-        log_k           +2.7052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru(OH)2++  =  Ru(OH)2SO4
-        -llnl_gamma           3.0    
-        log_k           +1.7941
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2SO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-#3.0000 H2O + 1.0000 Ru++ + 0.5000 O2  =  Ru(OH)4 +2.0000 H+
-# Ru(OH)2++ +1.0000 H2O +0.5000 O2  =  4.0000 H+ + 1.0000 RuO4--             log_k           -25.2470
-# 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2                  log_k           +0.1610
-#1 + 2 + 3
-2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+ 
-        -llnl_gamma           3.0    
-#        log_k           +18.0322
-	log_k		-7.0538
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Ru+++  =  Ru(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +3.0627
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Ru(OH)2++ + 4.0000 H2O  =  Ru4(OH)12++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           +7.1960
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru4(OH)12+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru++ + 1.0000 Cl-  =  RuCl+
-        -llnl_gamma           4.0    
-        log_k           -0.4887
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru+++ + 1.0000 Cl-  =  RuCl++
-        -llnl_gamma           4.5    
-        log_k           +2.1742
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Ru+++  =  RuCl4-
-        -llnl_gamma           4.0    
-        log_k           +4.1418
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 Cl- + 1.0000 Ru+++  =  RuCl5--
-        -llnl_gamma           4.0    
-        log_k           +3.8457
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl5-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 Cl- + 1.0000 Ru+++  =  RuCl6---
-        -llnl_gamma           4.0    
-        log_k           +3.4446
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl6-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru+++ + 1.0000 H2O  =  RuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.2392
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru++  =  RuSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3547
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru+++  =  RuSO4+
-        -llnl_gamma           4.0    
-        log_k           +1.9518
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HS-  =  S-- +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -12.9351
-	-delta_H	49.0364	kJ/mol	# Calculated enthalpy of reaction	S-2
-#	Enthalpy of formation:	32.928 kJ/mol
-        -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001
-#       -Range:  0-300
-
-2.0000 H+  + 2.0000 SO3--  = S2O5--  + H2O
-        -llnl_gamma           4.0    
-        log_k           9.5934
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O5-2
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.12262E+03    0.62883E-01   -0.18005E+04   -0.50798E+02   -0.28132E+02
-#       -Range:  0-300
-
-2.0000 H+ + 1.0000 SO3--  =  SO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +9.0656
-	-delta_H	26.7316	kJ/mol	# Calculated enthalpy of reaction	SO2
-#	Enthalpy of formation:	-77.194 kcal/mol
-        -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001
-#       -Range:  0-300
-
-1.0000 Sb(OH)3 + 1.0000 H+  =  Sb(OH)2+ +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +1.4900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001
-#       -Range:  0-300
-
-1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F-  =  Sb(OH)2F +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +7.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2F
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006
-#       -Range:  0-300
-
-1.0000 Sb(OH)3 + 1.0000 H2O  =  Sb(OH)4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.92
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004
-#       -Range:  0-300
-
-4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+  =  Sb2S4-- +6.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +39.1100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2S4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3  =  SbCl4- +3.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.0720
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SbCl4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Sc+++  =  Sc(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7237
-	-delta_H	-43.1789	kJ/mol	# Calculated enthalpy of reaction	Sc(CH3COO)2+
-#	Enthalpy of formation:	-389.32 kcal/mol
-        -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Sc+++  =  Sc(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.6777
-	-delta_H	-70.0402	kJ/mol	# Calculated enthalpy of reaction	Sc(CH3COO)3
-#	Enthalpy of formation:	-511.84 kcal/mol
-        -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005
-#       -Range:  0-300
-
-1.0000 Sc+++ + 1.0000 CH3COOH  =  ScCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.4294
-	-delta_H	-21.7568	kJ/mol	# Calculated enthalpy of reaction	ScCH3COO+2
-#	Enthalpy of formation:	-268.1 kcal/mol
-        -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005
-#       -Range:  0-300
-
-6.0000 F- + 4.0000 H+ + 1.0000 SiO2  =  SiF6-- +2.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +26.2749
-	-delta_H	-70.9565	kJ/mol	# Calculated enthalpy of reaction	SiF6-2
-#	Enthalpy of formation:	-571 kcal/mol
-        -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Sm+++  =  Sm(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.7132
-	-delta_H	-25.5224	kJ/mol	# Calculated enthalpy of reaction	Sm(CH3COO)2+
-#	Enthalpy of formation:	-403.5 kcal/mol
-        -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Sm+++  =  Sm(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.8798
-	-delta_H	-43.5554	kJ/mol	# Calculated enthalpy of reaction	Sm(CH3COO)3
-#	Enthalpy of formation:	-523.91 kcal/mol
-        -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Sm+++  =  Sm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with SmO2-
-#4.0000 H2O + 1.0000 Sm+++  =  Sm(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -36.8803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)4-
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Sm+++  =  Sm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 CH3COOH  =  SmCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.9205
-	-delta_H	-13.598	kJ/mol	# Calculated enthalpy of reaction	SmCH3COO+2
-#	Enthalpy of formation:	-284.55 kcal/mol
-        -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 HCO3-  =  SmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.479
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	SmCO3+
-#	Enthalpy of formation:	-308.8 kcal/mol
-        -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 Cl-  =  SmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	SmCl+2
-#	Enthalpy of formation:	-201.7 kcal/mol
-        -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Sm+++  =  SmCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	19.9409	kJ/mol	# Calculated enthalpy of reaction	SmCl2+
-#	Enthalpy of formation:	-240.3 kcal/mol
-        -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Sm+++  =  SmCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	13.803	kJ/mol	# Calculated enthalpy of reaction	SmCl3
-#	Enthalpy of formation:	-281.7 kcal/mol
-        -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Sm+++  =  SmCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.818
-	-delta_H	-5.30531	kJ/mol	# Calculated enthalpy of reaction	SmCl4-
-#	Enthalpy of formation:	-326.2 kcal/mol
-        -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 F-  =  SmF++
-        -llnl_gamma           4.5    
-        log_k           +4.3687
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	SmF+2
-#	Enthalpy of formation:	-239.9 kcal/mol
-        -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Sm+++  =  SmF2+
-        -llnl_gamma           4.0    
-        log_k           +7.6379
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	SmF2+
-#	Enthalpy of formation:	-322.2 kcal/mol
-        -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Sm+++  =  SmF3
-        -llnl_gamma           3.0    
-        log_k           +10.0275
-	-delta_H	-8.5772	kJ/mol	# Calculated enthalpy of reaction	SmF3
-#	Enthalpy of formation:	-407.7 kcal/mol
-        -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Sm+++  =  SmF4-
-        -llnl_gamma           4.0    
-        log_k           +11.9773
-	-delta_H	-49.7896	kJ/mol	# Calculated enthalpy of reaction	SmF4-
-#	Enthalpy of formation:	-497.7 kcal/mol
-        -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+  =  SmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-15.8364	kJ/mol	# Calculated enthalpy of reaction	SmH2PO4+2
-#	Enthalpy of formation:	-477.8 kcal/mol
-        -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 HCO3-  =  SmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	SmHCO3+2
-#	Enthalpy of formation:	-327.9 kcal/mol
-        -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 HPO4--  =  SmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 NO3-  =  SmNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.8012
-	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	SmNO3+2
-#	Enthalpy of formation:	-221.6 kcal/mol
-        -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 H2O  =  SmO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.4837
-	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	SmO+
-#	Enthalpy of formation:	-206.5 kcal/mol
-        -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Sm+++  =  SmO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -35.0197
-	-delta_H	285.909	kJ/mol	# Calculated enthalpy of reaction	SmO2-
-#	Enthalpy of formation:	-233.5 kcal/mol
-        -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Sm+++  =  SmO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.9304
-	-delta_H	226.497	kJ/mol	# Calculated enthalpy of reaction	SmO2H
-#	Enthalpy of formation:	-247.7 kcal/mol
-        -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 H2O  =  SmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9808
-	-delta_H	79.1487	kJ/mol	# Calculated enthalpy of reaction	SmOH+2
-#	Enthalpy of formation:	-214.6 kcal/mol
-        -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001
-#       -Range:  0-300
-
-1.0000 Sm+++ + 1.0000 HPO4--  =  SmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 SO4--  =  SmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	SmSO4+
-#	Enthalpy of formation:	-377.8 kcal/mol
-        -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Sn++  =  Sn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9102
-	-delta_H	42.0534	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
-#	Enthalpy of formation:	-128.683 kcal/mol
-        -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001
-#       -Range:  0-200
-
-2.0000 H2O + 1.0000 Sn++++  =  Sn(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -0.1902
-	-delta_H	-2.02087	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2+2
-#	Enthalpy of formation:	-129.888 kcal/mol
-        -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005
-#       -Range:  0-300
-
-3.0000 H2O + 1.0000 Sn++++  =  Sn(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           +0.5148
-	-delta_H	-7.59396	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3+
-#	Enthalpy of formation:	-199.537 kcal/mol
-        -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005
-#       -Range:  0-300
-
-3.0000 H2O + 1.0000 Sn++  =  Sn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.4052
-	-delta_H	94.7007	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3-
-#	Enthalpy of formation:	-184.417 kcal/mol
-        -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002
-#       -Range:  0-300
-
-4.0000 H2O + 1.0000 Sn++++  =  Sn(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.8497
-	-delta_H	-11.0583	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)4
-#	Enthalpy of formation:	-268.682 kcal/mol
-        -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001
-#       -Range:  0-200
-
-2.0000 SO4-- + 1.0000 Sn++++  =  Sn(SO4)2
-        -llnl_gamma           3.0    
-        log_k           -0.8072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sn(SO4)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sn++ + 1.0000 Cl-  =  SnCl+
-        -llnl_gamma           4.0    
-        log_k           +1.0500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Sn++  =  SnCl2
-        -llnl_gamma           3.0    
-        log_k           +1.7100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Sn++  =  SnCl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002
-#       -Range:  0-300
-
-1.0000 Sn++ + 1.0000 F-  =  SnF+
-        -llnl_gamma           4.0    
-        log_k           +4.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Sn++  =  SnF2
-        -llnl_gamma           3.0    
-        log_k           +6.6800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Sn++  =  SnF3-
-        -llnl_gamma           4.0    
-        log_k           +9.4600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002
-#       -Range:  0-300
-
-1.0000 Sn++ + 1.0000 H2O  =  SnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9851
-	-delta_H	21.2045	kJ/mol	# Calculated enthalpy of reaction	SnOH+
-#	Enthalpy of formation:	-65.349 kcal/mol
-        -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001
-#       -Range:  0-300
-
-1.0000 Sn++++ + 1.0000 H2O  =  SnOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +0.6049
-	-delta_H	-5.00406	kJ/mol	# Calculated enthalpy of reaction	SnOH+3
-#	Enthalpy of formation:	-62.284 kcal/mol
-        -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005
-#       -Range:  0-300
-
-1.0000 Sn++++ + 1.0000 SO4--  =  SnSO4++
-        -llnl_gamma           4.5    
-        log_k           -3.1094
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Sr++  =  Sr(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.8212
-	-delta_H	0.54392	kJ/mol	# Calculated enthalpy of reaction	Sr(CH3COO)2
-#	Enthalpy of formation:	-363.74 kcal/mol
-        -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005
-#       -Range:  0-300
-
-1.0000 Sr++ + 1.0000 CH3COOH  =  SrCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.6724
-	-delta_H	2.3012	kJ/mol	# Calculated enthalpy of reaction	SrCH3COO+
-#	Enthalpy of formation:	-247.22 kcal/mol
-        -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005
-#       -Range:  0-300
-
-1.0000 Sr++ + 1.0000 HCO3-  =  SrCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4635
-	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
-#	Enthalpy of formation:	-288.62 kcal/mol
-        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
-#       -Range:  0-300
-
-1.0000 Sr++ + 1.0000 Cl-  =  SrCl+
-        -llnl_gamma           4.0    
-        log_k           -0.2485
-	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
-#	Enthalpy of formation:	-169.79 kcal/mol
-        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
-#       -Range:  0-300
-
-1.0000 Sr++ + 1.0000 F-  =  SrF+
-        -llnl_gamma           4.0    
-        log_k           +0.1393
-	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
-#	Enthalpy of formation:	-210.67 kcal/mol
-        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
-#       -Range:  0-300
-
-1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+  =  SrH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +0.7300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 HPO4--  =  SrHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.0600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 NO3-  =  SrNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 H2O  =  SrOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.29
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sr++  =  SrP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +1.6537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 SO4--  =  SrSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Tb+++  =  Tb(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-27.9491	kJ/mol	# Calculated enthalpy of reaction	Tb(CH3COO)2+
-#	Enthalpy of formation:	-405.78 kcal/mol
-        -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Tb+++  =  Tb(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-47.1537	kJ/mol	# Calculated enthalpy of reaction	Tb(CH3COO)3
-#	Enthalpy of formation:	-526.47 kcal/mol
-        -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Tb+++  =  Tb(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.5576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.6437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Tb+++  =  Tb(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 CH3COOH  =  TbCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-14.2256	kJ/mol	# Calculated enthalpy of reaction	TbCH3COO+2
-#	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 HCO3-  =  TbCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4057
-	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	TbCO3+
-#	Enthalpy of formation:	-310.4 kcal/mol
-        -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 Cl-  =  TbCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	TbCl+2
-#	Enthalpy of formation:	-203.5 kcal/mol
-        -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Tb+++  =  TbCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	18.2673	kJ/mol	# Calculated enthalpy of reaction	TbCl2+
-#	Enthalpy of formation:	-242.4 kcal/mol
-        -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Tb+++  =  TbCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	TbCl3
-#	Enthalpy of formation:	-284.3 kcal/mol
-        -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Tb+++  =  TbCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-11.5813	kJ/mol	# Calculated enthalpy of reaction	TbCl4-
-#	Enthalpy of formation:	-329.4 kcal/mol
-        -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 F-  =  TbF++
-        -llnl_gamma           4.5    
-        log_k           +4.6619
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	TbF+2
-#	Enthalpy of formation:	-241.6 kcal/mol
-        -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Tb+++  =  TbF2+
-        -llnl_gamma           4.0    
-        log_k           +8.1510
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	TbF2+
-#	Enthalpy of formation:	-324.3 kcal/mol
-        -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Tb+++  =  TbF3
-        -llnl_gamma           3.0    
-        log_k           +10.6872
-	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	TbF3
-#	Enthalpy of formation:	-410.2 kcal/mol
-        -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Tb+++  =  TbF4-
-        -llnl_gamma           4.0    
-        log_k           +12.7836
-	-delta_H	-56.0656	kJ/mol	# Calculated enthalpy of reaction	TbF4-
-#	Enthalpy of formation:	-500.9 kcal/mol
-        -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+  =  TbH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.3751
-	-delta_H	-17.51	kJ/mol	# Calculated enthalpy of reaction	TbH2PO4+2
-#	Enthalpy of formation:	-479.9 kcal/mol
-        -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 HCO3-  =  TbHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	-14.6524	kJ/mol	# Calculated enthalpy of reaction	TbHCO3+2
-#	Enthalpy of formation:	-335.3 kcal/mol
-        -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 HPO4--  =  TbHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 NO3-  =  TbNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5080
-	-delta_H	-31.2587	kJ/mol	# Calculated enthalpy of reaction	TbNO3+2
-#	Enthalpy of formation:	-223.8 kcal/mol
-        -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 H2O  =  TbO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.1904
-	-delta_H	109.692	kJ/mol	# Calculated enthalpy of reaction	TbO+
-#	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Tb+++  =  TbO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.2134
-	-delta_H	278.797	kJ/mol	# Calculated enthalpy of reaction	TbO2-
-#	Enthalpy of formation:	-236.9 kcal/mol
-        -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Tb+++  =  TbO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.0508
-	-delta_H	219.802	kJ/mol	# Calculated enthalpy of reaction	TbO2H
-#	Enthalpy of formation:	-251 kcal/mol
-        -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 H2O  =  TbOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.8342
-	-delta_H	77.4751	kJ/mol	# Calculated enthalpy of reaction	TbOH+2
-#	Enthalpy of formation:	-216.7 kcal/mol
-        -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001
-#       -Range:  0-300
-
-1.0000 Tb+++ + 1.0000 HPO4--  =  TbPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.0782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 SO4--  =  TbSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	TbSO4+
-#	Enthalpy of formation:	-379.6 kcal/mol
-        -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 TcO++  =  TcO(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3221
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 TcO++ + 1.0000 H2O  =  TcOOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -1.1355
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++  =  Th(H2PO4)2++
-        -llnl_gamma           4.5    
-        log_k           +23.2070
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(H2PO4)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +22.6939
-	-delta_H	-13.644	kJ/mol	# Calculated enthalpy of reaction	Th(HPO4)2
-#	Enthalpy of formation:	-804.691 kcal/mol
-        -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002
-#       -Range:  0-200
-
-3.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +31.1894
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(HPO4)3-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Th++++  =  Th(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.1068
-	-delta_H	58.668	kJ/mol	# Calculated enthalpy of reaction	Th(OH)2+2
-#	Enthalpy of formation:	-306.412 kcal/mol
-        -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005
-#       -Range:  0-300
-
-3.0000 H2O + 1.0000 Th++++  =  Th(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.8623
-	-delta_H	86.1318	kJ/mol	# Calculated enthalpy of reaction	Th(OH)3+
-#	Enthalpy of formation:	-368.165 kcal/mol
-4.0000 H2O + 1.0000 Th++++  =  Th(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -16.0315
-	-delta_H	104.01	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
-#	Enthalpy of formation:	-432.209 kcal/mol
-        -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001
-#       -Range:  0-200
-
-2.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +9.6170
-	-delta_H	32.2377	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
-#	Enthalpy of formation:	-610.895 kcal/mol
-        -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002
-#       -Range:  0-200
-
-3.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)3--
-        -llnl_gamma           4.0    
-        log_k           +10.4014
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)3-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)4----
-        -llnl_gamma           4.0    
-        log_k           +8.4003
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)4-4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Th++++ + 2.0000 H2O  =  Th2(OH)2+6 +2.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -6.4618
-	-delta_H	63.7181	kJ/mol	# Calculated enthalpy of reaction	Th2(OH)2+6
-#	Enthalpy of formation:	-489.005 kcal/mol
-        -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002
-#       -Range:  0-300
-
-8.0000 H2O + 4.0000 Th++++  =  Th4(OH)8+8 +8.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -21.7568
-	-delta_H	245.245	kJ/mol	# Calculated enthalpy of reaction	Th4(OH)8+8
-#	Enthalpy of formation:	-1223.12 kcal/mol
-        -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002
-#       -Range:  0-300
-
-15.0000 H2O + 6.0000 Th++++  =  Th6(OH)15+9 +15.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -37.7027
-	-delta_H	458.248	kJ/mol	# Calculated enthalpy of reaction	Th6(OH)15+9
-#	Enthalpy of formation:	-2018.03 kcal/mol
-        -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002
-#       -Range:  0-300
-
-1.0000 Th++++ + 1.0000 Cl-  =  ThCl+++
-        -llnl_gamma           5.0    
-        log_k           +0.9536
-	-delta_H	0.06276	kJ/mol	# Calculated enthalpy of reaction	ThCl+3
-#	Enthalpy of formation:	-223.718 kcal/mol
-        -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Th++++  =  ThCl2++
-        -llnl_gamma           4.5    
-        log_k           +0.6758
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Th++++  =  ThCl3+
-        -llnl_gamma           4.0    
-        log_k           +1.4975
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Th++++  =  ThCl4
-        -llnl_gamma           3.0    
-        log_k           +1.0731
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Th++++ + 1.0000 F-  =  ThF+++
-        -llnl_gamma           5.0    
-        log_k           +7.8725
-	-delta_H	-4.87436	kJ/mol	# Calculated enthalpy of reaction	ThF+3
-#	Enthalpy of formation:	-265.115 kcal/mol
-        -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Th++++  =  ThF2++
-        -llnl_gamma           4.5    
-        log_k           +14.0884
-	-delta_H	-7.77806	kJ/mol	# Calculated enthalpy of reaction	ThF2+2
-#	Enthalpy of formation:	-345.959 kcal/mol
-        -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Th++++  =  ThF3+
-        -llnl_gamma           4.0    
-        log_k           +18.7357
-	-delta_H	-11.7068	kJ/mol	# Calculated enthalpy of reaction	ThF3+
-#	Enthalpy of formation:	-427.048 kcal/mol
-        -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Th++++  =  ThF4
-        -llnl_gamma           3.0    
-        log_k           +22.1515
-	-delta_H	-14.8448	kJ/mol	# Calculated enthalpy of reaction	ThF4
-#	Enthalpy of formation:	-507.948 kcal/mol
-        -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002
-#       -Range:  0-200
-
-1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+  =  ThH2PO4+++
-        -llnl_gamma           5.0    
-        log_k           +11.7061
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH2PO4+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4--  =  ThH3PO4++++
-        -llnl_gamma           5.5    
-        log_k           +11.1197
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH3PO4+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Th++++ + 1.0000 HPO4--  =  ThHPO4++
-        -llnl_gamma           4.5    
-        log_k           +10.6799
-	-delta_H	0.1046	kJ/mol	# Calculated enthalpy of reaction	ThHPO4+2
-#	Enthalpy of formation:	-492.59 kcal/mol
-1.0000 Th++++ + 1.0000 H2O  =  ThOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -3.8871
-	-delta_H	25.0275	kJ/mol	# Calculated enthalpy of reaction	ThOH+3
-#	Enthalpy of formation:	-1029.83 kJ/mol
-        -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004
-#       -Range:  0-300
-
-1.0000 Th++++ + 1.0000 SO4--  =  ThSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.3143
-	-delta_H	16.3511	kJ/mol	# Calculated enthalpy of reaction	ThSO4+2
-#	Enthalpy of formation:	-397.292 kcal/mol
-        -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Tl+  =  Tl(CH3COO)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0129
-	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Tl(CH3COO)2-
-#	Enthalpy of formation:	-230.62 kcal/mol
-        -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001
-#       -Range:  0-300
-
-1.0000 Tl+ + 1.0000 CH3COOH  =  TlCH3COO +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.8672
-	-delta_H	6.15048	kJ/mol	# Calculated enthalpy of reaction	TlCH3COO
-#	Enthalpy of formation:	-113.35 kcal/mol
-        -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Tm+++  =  Tm(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-32.5934	kJ/mol	# Calculated enthalpy of reaction	Tm(CH3COO)2+
-#	Enthalpy of formation:	-408.49 kcal/mol
-        -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Tm+++  =  Tm(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-54.8104	kJ/mol	# Calculated enthalpy of reaction	Tm(CH3COO)3
-#	Enthalpy of formation:	-529.9 kcal/mol
-        -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Tm+++  =  Tm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.1576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.0437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Tm+++  =  Tm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 CH3COOH  =  TmCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-16.3176	kJ/mol	# Calculated enthalpy of reaction	TmCH3COO+2
-#	Enthalpy of formation:	-288.5 kcal/mol
-        -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 HCO3-  =  TmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.1125
-	-delta_H	86.6004	kJ/mol	# Calculated enthalpy of reaction	TmCO3+
-#	Enthalpy of formation:	-312.7 kcal/mol
-        -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 Cl-  =  TmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.1085	kJ/mol	# Calculated enthalpy of reaction	TmCl+2
-#	Enthalpy of formation:	-205.3 kcal/mol
-        -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Tm+++  =  TmCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	TmCl2+
-#	Enthalpy of formation:	-244.6 kcal/mol
-        -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Tm+++  =  TmCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	5.43502	kJ/mol	# Calculated enthalpy of reaction	TmCl3
-#	Enthalpy of formation:	-287 kcal/mol
-        -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Tm+++  =  TmCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-20.3677	kJ/mol	# Calculated enthalpy of reaction	TmCl4-
-#	Enthalpy of formation:	-333.1 kcal/mol
-        -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 F-  =  TmF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	TmF+2
-#	Enthalpy of formation:	-243 kcal/mol
-        -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Tm+++  =  TmF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3709
-	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	TmF2+
-#	Enthalpy of formation:	-325.8 kcal/mol
-        -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Tm+++  =  TmF3
-        -llnl_gamma           3.0    
-        log_k           +10.9804
-	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	TmF3
-#	Enthalpy of formation:	-412 kcal/mol
-        -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Tm+++  =  TmF4-
-        -llnl_gamma           4.0    
-        log_k           +13.1501
-	-delta_H	-60.668	kJ/mol	# Calculated enthalpy of reaction	TmF4-
-#	Enthalpy of formation:	-503.6 kcal/mol
-        -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+  =  TmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	TmH2PO4+2
-#	Enthalpy of formation:	-482.2 kcal/mol
-        -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 HCO3-  =  TmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	TmHCO3+2
-#	Enthalpy of formation:	-332.2 kcal/mol
-        -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 HPO4--  =  TmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 NO3-  =  TmNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	TmNO3+2
-#	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 H2O  =  TmO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.8972
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	TmO+
-#	Enthalpy of formation:	-211.6 kcal/mol
-        -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Tm+++  =  TmO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6741
-	-delta_H	266.663	kJ/mol	# Calculated enthalpy of reaction	TmO2-
-#	Enthalpy of formation:	-241.4 kcal/mol
-        -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Tm+++  =  TmO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.1712
-	-delta_H	211.853	kJ/mol	# Calculated enthalpy of reaction	TmO2H
-#	Enthalpy of formation:	-254.5 kcal/mol
-        -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 H2O  =  TmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6876
-	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	TmOH+2
-#	Enthalpy of formation:	-219 kcal/mol
-        -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001
-#       -Range:  0-300
-
-1.0000 Tm+++ + 1.0000 HPO4--  =  TmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.4782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 SO4--  =  TmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	19.9995	kJ/mol	# Calculated enthalpy of reaction	TmSO4+
-#	Enthalpy of formation:	-381.12 kcal/mol
-        -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002
-#       -Range:  0-300
-
-4.0000 HCO3- + 1.0000 U++++  =  U(CO3)4---- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.2534
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(CO3)4-4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 U++++  =  U(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.7169
-	-delta_H	53.5172	kJ/mol	# Calculated enthalpy of reaction	U(CO3)5-6
-#	Enthalpy of formation:	-3987.35 kJ/mol
-        -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002
-#       -Range:  0-300
-
-2.0000 NO3- + 1.0000 U++++  =  U(NO3)2++
-        -llnl_gamma           4.5    
-        log_k           +2.2610
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(NO3)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 U++++  =  U(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.57
-	-delta_H	78.7553	kJ/mol	# Calculated enthalpy of reaction	U(OH)4
-#	Enthalpy of formation:	-1655.8 kJ/mol
-        -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002
-#       -Range:  0-200
-
-2.0000 Thiocyanate- + 1.0000 U++++  =  U(Thiocyanate)2++
-        -llnl_gamma           4.5    
-        log_k           +4.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(Thiocyanate)2+2
-#	Enthalpy of formation:	-456.4 kJ/mol
-        -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001
-#       -Range:  0-300
-
-2.0000 SO4-- + 1.0000 U++++  =  U(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +10.3507
-	-delta_H	33.2232	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
-#	Enthalpy of formation:	-2377.18 kJ/mol
-        -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002
-#       -Range:  0-200
-
-1.0000 U++++ + 1.0000 Br-  =  UBr+++
-        -llnl_gamma           5.0    
-        log_k           +1.4240
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UBr+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 Cl-  =  UCl+++
-        -llnl_gamma           5.0    
-        log_k           +1.7073
-	-delta_H	-18.9993	kJ/mol	# Calculated enthalpy of reaction	UCl+3
-#	Enthalpy of formation:	-777.279 kJ/mol
-        -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001
-#       -Range:  0-300
-
-1.0000 U++++ + 1.0000 F-  =  UF+++
-        -llnl_gamma           5.0    
-        log_k           +9.2403
-	-delta_H	-5.6024	kJ/mol	# Calculated enthalpy of reaction	UF+3
-#	Enthalpy of formation:	-932.15 kJ/mol
-        -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 U++++  =  UF2++
-        -llnl_gamma           4.5    
-        log_k           +16.1505
-	-delta_H	-3.5048	kJ/mol	# Calculated enthalpy of reaction	UF2+2
-#	Enthalpy of formation:	-1265.4 kJ/mol
-        -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 U++++  =  UF3+
-        -llnl_gamma           4.0    
-        log_k           +21.4806
-	-delta_H	0.4938	kJ/mol	# Calculated enthalpy of reaction	UF3+
-#	Enthalpy of formation:	-1596.75 kJ/mol
-        -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 U++++  =  UF4
-        -llnl_gamma           3.0    
-        log_k           +25.4408
-	-delta_H	-4.2146	kJ/mol	# Calculated enthalpy of reaction	UF4
-#	Enthalpy of formation:	-1936.81 kJ/mol
-        -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002
-#       -Range:  0-200
-
-5.0000 F- + 1.0000 U++++  =  UF5-
-        -llnl_gamma           4.0    
-        log_k           +26.8110
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 F- + 1.0000 U++++  =  UF6--
-        -llnl_gamma           4.0    
-        log_k           +28.8412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF6-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 I-  =  UI+++
-        -llnl_gamma           5.0    
-        log_k           +1.2151
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UI+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 NO3-  =  UNO3+++
-        -llnl_gamma           5.0    
-        log_k           +1.4506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UNO3+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7467
-	-delta_H	47.9065	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)2-2
-#	Enthalpy of formation:	-2350.96 kJ/mol
-        -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002
-#       -Range:  0-300
-
-3.0000 HCO3- + 1.0000 UO2+  =  UO2(CO3)3-5 +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.6241
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(CO3)3-5
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)3---- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.4302
-	-delta_H	4.9107	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)3-4
-#	Enthalpy of formation:	-3083.89 kJ/mol
-        -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002
-#       -Range:  0-300
-
-3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++  =  UO2(H2PO4)(H3PO4)+
-        -llnl_gamma           4.0    
-        log_k           +22.7537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)(H3PO4)+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++  =  UO2(H2PO4)2
-        -llnl_gamma           3.0    
-        log_k           +21.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 IO3- + 1.0000 UO2++  =  UO2(IO3)2
-        -llnl_gamma           3.0    
-        log_k           +2.9969
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(IO3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 N3- + 1.0000 UO2++  =  UO2(N3)2
-        -llnl_gamma           3.0    
-        log_k           +4.3301
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 N3- + 1.0000 UO2++  =  UO2(N3)3-
-        -llnl_gamma           4.0    
-        log_k           +5.7401
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 N3- + 1.0000 UO2++  =  UO2(N3)4--
-        -llnl_gamma           4.0    
-        log_k           +4.9200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 UO2++  =  UO2(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -10.3146
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 UO2++  =  UO2(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -19.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 UO2++  =  UO2(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.0291
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.2401
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)2
-#	Enthalpy of formation:	-857.3 kJ/mol
-        -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001
-#       -Range:  0-200
-
-3.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)3-
-        -llnl_gamma           4.0    
-        log_k           +2.1001
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)3-
-#	Enthalpy of formation:	-783.8 kJ/mol
-        -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000
-#       -Range:  0-300
-
-2.0000 SO3-- + 1.0000 UO2++  =  UO2(SO3)2--
-        -llnl_gamma           4.0    
-        log_k           +7.9101
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(SO3)2-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 UO2++  =  UO2(SO4)2--
-        -llnl_gamma           4.0    
-        log_k           +3.9806
-	-delta_H	35.6242	kJ/mol	# Calculated enthalpy of reaction	UO2(SO4)2-2
-#	Enthalpy of formation:	-2802.58 kJ/mol
-        -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 Br-  =  UO2Br+
-        -llnl_gamma           4.0    
-        log_k           +0.1840
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Br+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 BrO3-  =  UO2BrO3+
-        -llnl_gamma           4.0    
-        log_k           +0.5510
-	-delta_H	0.46952	kJ/mol	# Calculated enthalpy of reaction	UO2BrO3+
-#	Enthalpy of formation:	-1085.6 kJ/mol
-        -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 HCO3-  =  UO2CO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.6634
-	-delta_H	19.7032	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
-#	Enthalpy of formation:	-1689.23 kJ/mol
-        -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001
-#       -Range:  0-200
-
-1.0000 UO2++ + 1.0000 Cl-  =  UO2Cl+
-        -llnl_gamma           4.0    
-        log_k           +0.1572
-	-delta_H	8.00167	kJ/mol	# Calculated enthalpy of reaction	UO2Cl+
-#	Enthalpy of formation:	-1178.08 kJ/mol
-        -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 UO2++  =  UO2Cl2
-        -llnl_gamma           3.0    
-        log_k           -1.1253
-	-delta_H	15.0013	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
-#	Enthalpy of formation:	-1338.16 kJ/mol
-        -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001
-#       -Range:  0-200
-
-1.0000 UO2++ + 1.0000 ClO3-  =  UO2ClO3+
-        -llnl_gamma           4.0    
-        log_k           +0.4919
-	-delta_H	-3.9266	kJ/mol	# Calculated enthalpy of reaction	UO2ClO3+
-#	Enthalpy of formation:	-1126.9 kJ/mol
-        -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 F-  =  UO2F+
-        -llnl_gamma           4.0    
-        log_k           +5.0502
-	-delta_H	1.6976	kJ/mol	# Calculated enthalpy of reaction	UO2F+
-#	Enthalpy of formation:	-1352.65 kJ/mol
-        -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 UO2++  =  UO2F2
-        -llnl_gamma           3.0    
-        log_k           +8.5403
-	-delta_H	2.0962	kJ/mol	# Calculated enthalpy of reaction	UO2F2
-#	Enthalpy of formation:	-1687.6 kJ/mol
-        -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001
-#       -Range:  0-200
-
-3.0000 F- + 1.0000 UO2++  =  UO2F3-
-        -llnl_gamma           4.0    
-        log_k           +10.7806
-	-delta_H	2.3428	kJ/mol	# Calculated enthalpy of reaction	UO2F3-
-#	Enthalpy of formation:	-2022.7 kJ/mol
-        -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 UO2++  =  UO2F4--
-        -llnl_gamma           4.0    
-        log_k           +11.5407
-	-delta_H	0.2814	kJ/mol	# Calculated enthalpy of reaction	UO2F4-2
-#	Enthalpy of formation:	-2360.11 kJ/mol
-        -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+  =  UO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +11.6719
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4--  =  UO2H3PO4++
-        -llnl_gamma           4.5    
-        log_k           +11.3119
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H3PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 HPO4--  =  UO2HPO4
-        -llnl_gamma           3.0    
-        log_k           +8.4398
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 IO3-  =  UO2IO3+
-        -llnl_gamma           4.0    
-        log_k           +1.7036
-	-delta_H	11.4336	kJ/mol	# Calculated enthalpy of reaction	UO2IO3+
-#	Enthalpy of formation:	-1228.9 kJ/mol
-        -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 N3-  =  UO2N3+
-        -llnl_gamma           4.0    
-        log_k           +2.5799
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2N3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 NO3-  =  UO2NO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2805
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2NO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 H2O  =  UO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.2073
-	-delta_H	43.1813	kJ/mol	# Calculated enthalpy of reaction	UO2OH+
-#	Enthalpy of formation:	-1261.66 kJ/mol
-        -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 HPO4--  =  UO2PO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           +2.0798
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2PO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-#2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++  =  UO2S2O3 +1.0000 H2O +1.0000 O2
-#S2O3--  + O2  + H2O = 2.0000 H+  + 2.0000 SO3--   log_k          40.2906
-S2O3-- + UO2++ = UO2S2O3 
-        -llnl_gamma           3.0    
-#        log_k           -38.0666
-	log_k 2.224
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2S2O3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 Thiocyanate-  =  UO2Thiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +1.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Thiocyanate+
-#	Enthalpy of formation:	-939.38 kJ/mol
-        -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000
-#       -Range:  0-300
-
-1.0000 UO2++ + 1.0000 SO3--  =  UO2SO3
-        -llnl_gamma           3.0    
-        log_k           +6.7532
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2SO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 SO4--  =  UO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.0703
-	-delta_H	19.7626	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
-#	Enthalpy of formation:	-1908.84 kJ/mol
-        -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001
-#       -Range:  0-200
-
-1.0000 U++++ + 1.0000 H2O  =  UOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.5472
-	-delta_H	46.9183	kJ/mol	# Calculated enthalpy of reaction	UOH+3
-#	Enthalpy of formation:	-830.12 kJ/mol
-        -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001
-#       -Range:  0-300
-
-1.0000 U++++ + 1.0000 Thiocyanate-  =  UThiocyanate+++
-        -llnl_gamma           5.0    
-        log_k           +2.9700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UThiocyanate+3
-#	Enthalpy of formation:	-541.8 kJ/mol
-        -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001
-#       -Range:  0-300
-
-1.0000 U++++ + 1.0000 SO4--  =  USO4++
-        -llnl_gamma           4.5    
-        log_k           +6.5003
-	-delta_H	8.2616	kJ/mol	# Calculated enthalpy of reaction	USO4+2
-#	Enthalpy of formation:	-1492.54 kJ/mol
-        -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 V+++  =  V(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.9193
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 V+++ + 2.0000 H2O  =  V2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -3.8
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+  =  VO(OH)3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 VO2+  =  VO2(HPO4)2---
-        -llnl_gamma           4.0    
-        log_k           +8.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(HPO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+  =  VO2(OH)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(OH)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 F-  =  VO2F
-        -llnl_gamma           3.0    
-        log_k           +3.3500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 VO2+  =  VO2F2-
-        -llnl_gamma           4.0    
-        log_k           +5.8100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+  =  VO2H2PO4
-        -llnl_gamma           3.0    
-        log_k           +1.6800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2H2PO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 HPO4--  =  VO2HPO4-
-        -llnl_gamma           4.0    
-        log_k           +5.8300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2HPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 SO4--  =  VO2SO4-
-        -llnl_gamma           4.0    
-        log_k           +1.5800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2SO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO4--- + 1.0000 H+  =  VO3OH--
-        -llnl_gamma           4.0    
-        log_k           +14.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO3OH-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 F-  =  VOF+
-        -llnl_gamma           4.0    
-        log_k           +4.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 VO++  =  VOF2
-        -llnl_gamma           3.0    
-        log_k           +6.7800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 V+++ + 1.0000 H2O  =  VOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.26
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 H2O  =  VOOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOOH+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 SO4--  =  VOSO4
-        -llnl_gamma           3.0    
-        log_k           +2.4800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOSO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 V+++ + 1.0000 SO4--  =  VSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.3300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Y+++  =  Y(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-34.8109	kJ/mol	# Calculated enthalpy of reaction	Y(CH3COO)2+
-#	Enthalpy of formation:	-411.42 kcal/mol
-        -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Y+++  =  Y(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-58.4505	kJ/mol	# Calculated enthalpy of reaction	Y(CH3COO)3
-#	Enthalpy of formation:	-533.17 kcal/mol
-        -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Y+++  =  Y(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Y+++  =  Y(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Y+++  =  Y(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.3902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Y+++  =  Y(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Y+++  =  Y(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -36.4803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Y+++  =  Y(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Y+++  =  Y(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Y+++ + 2.0000 H2O  =  Y2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -14.1902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y2(OH)2+4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 CH3COOH  =  YCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-17.2799	kJ/mol	# Calculated enthalpy of reaction	YCH3COO+2
-#	Enthalpy of formation:	-291.13 kcal/mol
-        -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005
-#       -Range:  0-300
-
-1.0000 Y+++ + 1.0000 HCO3-  =  YCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.2788
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCO3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 Cl-  =  YCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCl+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 F-  =  YF++
-        -llnl_gamma           4.5    
-        log_k           +4.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Y+++  =  YF2+
-        -llnl_gamma           4.0    
-        log_k           +7.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF2+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Y+++  =  YF3
-        -llnl_gamma           3.0    
-        log_k           +11.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+  =  YH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YH2PO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HCO3-  =  YHCO3++
-        -llnl_gamma           4.5    
-        log_k           +2.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHCO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4--  =  YHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 NO3-  =  YNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YNO3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 H2O  =  YOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YOH+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4--  =  YPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 SO4--  =  YSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YSO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 CH3COOH + 1.0000 Yb+++  =  Yb(CH3COO)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.131
-	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Yb(CH3COO)2+
-#	Enthalpy of formation:	-399.75 kcal/mol
-        -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Yb+++  =  Yb(CH3COO)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.5688
-	-delta_H	-51.4214	kJ/mol	# Calculated enthalpy of reaction	Yb(CH3COO)3
-#	Enthalpy of formation:	-520.89 kcal/mol
-        -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005
-#       -Range:  0-300
-
-2.0000 HCO3- + 1.0000 Yb+++  =  Yb(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(CO3)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(HPO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-# Redundant with YbO2-
-#4.0000 H2O + 1.0000 Yb+++  =  Yb(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
-#        log_k           -32.6803
-#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)4-
-##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(PO4)2-3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Yb+++  =  Yb(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(SO4)2-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 CH3COOH  =  YbCH3COO++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.199
-	-delta_H	-15.2298	kJ/mol	# Calculated enthalpy of reaction	YbCH3COO+2
-#	Enthalpy of formation:	-280.04 kcal/mol
-        -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 HCO3-  =  YbCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.0392
-	-delta_H	82.8348	kJ/mol	# Calculated enthalpy of reaction	YbCO3+
-#	Enthalpy of formation:	-305.4 kcal/mol
-        -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 Cl-  =  YbCl++
-        -llnl_gamma           4.5    
-        log_k           +0.1620
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	YbCl+2
-#	Enthalpy of formation:	-196.9 kcal/mol
-        -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Yb+++  =  YbCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.2624
-	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	YbCl2+
-#	Enthalpy of formation:	-236 kcal/mol
-        -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Yb+++  =  YbCl3
-        -llnl_gamma           3.0    
-        log_k           -0.7601
-	-delta_H	8.36382	kJ/mol	# Calculated enthalpy of reaction	YbCl3
-#	Enthalpy of formation:	-278.1 kcal/mol
-        -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Yb+++  =  YbCl4-
-        -llnl_gamma           4.0    
-        log_k           -1.1845
-	-delta_H	-15.7653	kJ/mol	# Calculated enthalpy of reaction	YbCl4-
-#	Enthalpy of formation:	-323.8 kcal/mol
-        -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 F-  =  YbF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	YbF+2
-#	Enthalpy of formation:	-234.9 kcal/mol
-        -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001
-#       -Range:  0-300
-
-2.0000 F- + 1.0000 Yb+++  =  YbF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3709
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	YbF2+
-#	Enthalpy of formation:	-317.7 kcal/mol
-        -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001
-#       -Range:  0-300
-
-3.0000 F- + 1.0000 Yb+++  =  YbF3
-        -llnl_gamma           3.0    
-        log_k           +11.0537
-	-delta_H	-13.1796	kJ/mol	# Calculated enthalpy of reaction	YbF3
-#	Enthalpy of formation:	-403.9 kcal/mol
-        -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002
-#       -Range:  0-300
-
-4.0000 F- + 1.0000 Yb+++  =  YbF4-
-        -llnl_gamma           4.0    
-        log_k           +13.2234
-	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	YbF4-
-#	Enthalpy of formation:	-495.3 kcal/mol
-        -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+  =  YbH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5217
-	-delta_H	-20.0204	kJ/mol	# Calculated enthalpy of reaction	YbH2PO4+2
-#	Enthalpy of formation:	-473.9 kcal/mol
-        -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 HCO3-  =  YbHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.8398
-	-delta_H	5.43083	kJ/mol	# Calculated enthalpy of reaction	YbHCO3+2
-#	Enthalpy of formation:	-323.9 kcal/mol
-        -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 HPO4--  =  YbHPO4+
-        -llnl_gamma           4.0    
-        log_k           +6.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbHPO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 NO3-  =  YbNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-32.9323	kJ/mol	# Calculated enthalpy of reaction	YbNO3+2
-#	Enthalpy of formation:	-217.6 kcal/mol
-        -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 H2O  =  YbO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.7506
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	YbO+
-#	Enthalpy of formation:	-203.4 kcal/mol
-        -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Yb+++  =  YbO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6741
-	-delta_H	267.918	kJ/mol	# Calculated enthalpy of reaction	YbO2-
-#	Enthalpy of formation:	-232.9 kcal/mol
-        -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Yb+++  =  YbO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.878
-	-delta_H	211.016	kJ/mol	# Calculated enthalpy of reaction	YbO2H
-#	Enthalpy of formation:	-246.5 kcal/mol
-        -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 H2O  =  YbOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6143
-	-delta_H	74.9647	kJ/mol	# Calculated enthalpy of reaction	YbOH+2
-#	Enthalpy of formation:	-210.7 kcal/mol
-        -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001
-#       -Range:  0-300
-
-1.0000 Yb+++ + 1.0000 HPO4--  =  YbPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.5782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 SO4--  =  YbSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	1424.65	kJ/mol	# Calculated enthalpy of reaction	YbSO4+
-#	Enthalpy of formation:	-37.2 kcal/mol
-        -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002
-#       -Range:  0-300
-
-2.0000 CH3COOH + 1.0000 Zn++  =  Zn(CH3COO)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.062
-	-delta_H	-11.0458	kJ/mol	# Calculated enthalpy of reaction	Zn(CH3COO)2
-#	Enthalpy of formation:	-271.5 kcal/mol
-        -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005
-#       -Range:  0-300
-
-3.0000 CH3COOH + 1.0000 Zn++  =  Zn(CH3COO)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0715
-	-delta_H	25.355	kJ/mol	# Calculated enthalpy of reaction	Zn(CH3COO)3-
-#	Enthalpy of formation:	-378.9 kcal/mol
-        -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006
-#       -Range:  0-300
-
-4.0000 Cyanide- + 1.0000 Zn++  =  Zn(Cyanide)4--
-        -llnl_gamma           4.0    
-        log_k           +16.7040
-	-delta_H	-107.305	kJ/mol	# Calculated enthalpy of reaction	Zn(Cyanide)4-2
-#	Enthalpy of formation:	341.806 kJ/mol
-        -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001
-#       -Range:  0-300
-
-2.0000 N3- + 1.0000 Zn++  =  Zn(N3)2
-        -llnl_gamma           3.0    
-        log_k           +1.1954
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(N3)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 NH3  =  Zn(NH3)++
-        -llnl_gamma           4.5    
-        log_k           +2.0527
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +4.2590
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)3++
-        -llnl_gamma           4.5    
-        log_k           +6.4653
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)3+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)4++
-        -llnl_gamma           4.5    
-        log_k           +8.3738
-	-delta_H	-54.9027	kJ/mol	# Calculated enthalpy of reaction	Zn(NH3)4+2
-#	Enthalpy of formation:	-533.636 kJ/mol
-        -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001
-#       -Range:  0-300
-
-2.0000 H2O + 1.0000 Zn++  =  Zn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -17.3282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Zn++  =  Zn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -28.8369
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Zn++  =  Zn(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -41.6052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl-  =  Zn(OH)Cl +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.5417
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)Cl
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +0.8800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)4--
-        -llnl_gamma           4.0    
-        log_k           +1.2479
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 Br-  =  ZnBr+
-        -llnl_gamma           4.0    
-        log_k           -0.6365
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Zn++  =  ZnBr2
-        -llnl_gamma           3.0    
-        log_k           -1.0492
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Zn++  =  ZnBr3-
-        -llnl_gamma           4.0    
-        log_k           -1.8474
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 CH3COOH  =  ZnCH3COO+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.1519
-	-delta_H	-9.87424	kJ/mol	# Calculated enthalpy of reaction	ZnCH3COO+
-#	Enthalpy of formation:	-155.12 kcal/mol
-        -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005
-#       -Range:  0-300
-
-1.0000 Zn++ + 1.0000 HCO3-  =  ZnCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.4288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 Cl-  =  ZnCl+
-        -llnl_gamma           4.0    
-        log_k           +0.1986
-	-delta_H	43.317	kJ/mol	# Calculated enthalpy of reaction	ZnCl+
-#	Enthalpy of formation:	-66.24 kcal/mol
-        -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001
-#       -Range:  0-300
-
-2.0000 Cl- + 1.0000 Zn++  =  ZnCl2
-        -llnl_gamma           3.0    
-        log_k           +0.2507
-	-delta_H	31.1541	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
-#	Enthalpy of formation:	-109.08 kcal/mol
-        -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001
-#       -Range:  0-300
-
-3.0000 Cl- + 1.0000 Zn++  =  ZnCl3-
-        -llnl_gamma           4.0    
-        log_k           -0.0198
-	-delta_H	22.5894	kJ/mol	# Calculated enthalpy of reaction	ZnCl3-
-#	Enthalpy of formation:	-151.06 kcal/mol
-        -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001
-#       -Range:  0-300
-
-4.0000 Cl- + 1.0000 Zn++  =  ZnCl4--
-        -llnl_gamma           4.0    
-        log_k           +0.8605
-	-delta_H	4.98733	kJ/mol	# Calculated enthalpy of reaction	ZnCl4-2
-#	Enthalpy of formation:	-195.2 kcal/mol
-        -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000
-#       -Range:  0-300
-
-1.0000 Zn++ + 1.0000 ClO4-  =  ZnClO4+
-        -llnl_gamma           4.0    
-        log_k           +1.2768
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnClO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 F-  =  ZnF+
-        -llnl_gamma           4.0    
-        log_k           +1.1500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnF+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+  =  ZnH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +0.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnH2PO4+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 HCO3-  =  ZnHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.4200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHCO3+
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002
-#       -Range: 25-300
-
-1.0000 Zn++ + 1.0000 HPO4--  =  ZnHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHPO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 I-  =  ZnI+
-        -llnl_gamma           4.0    
-        log_k           -3.0134
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Zn++  =  ZnI2
-        -llnl_gamma           3.0    
-        log_k           -1.8437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Zn++  =  ZnI3-
-        -llnl_gamma           4.0    
-        log_k           -2.0054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI3-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Zn++  =  ZnI4--
-        -llnl_gamma           4.0    
-        log_k           -2.6052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI4-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 N3-  =  ZnN3+
-        -llnl_gamma           4.0    
-        log_k           +0.4420
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnN3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 H2O  =  ZnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.96
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnOH+
-#	Enthalpy of formation:	-0 kcal/mol
-        -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001
-#       -Range: 25-300
-
-1.0000 Zn++ + 1.0000 HPO4--  =  ZnPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3018
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnPO4-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 SO4--  =  ZnSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3062
-	-delta_H	15.277	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
-#	Enthalpy of formation:	-1047.71 kJ/mol
-        -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001
-#       -Range:  0-200
-
-1.0000 Zn++ + 1.0000 SeO4--  =  ZnSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.1900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnSeO4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Zr++++  =  Zr(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.6693
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Zr++++  =  Zr(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -1.4666
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 1.0000 Zr++++  =  Zr(OH)5- +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.9754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +6.2965
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)3--
-        -llnl_gamma           4.0    
-        log_k           +7.3007
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)3-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Zr++++  =  Zr3(OH)4+8 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -0.5803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr3(OH)4+8
-#	Enthalpy of formation:	-0 kcal/mol
- 
-8.0000 H2O + 4.0000 Zr++++  =  Zr4(OH)8+8 +8.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -5.9606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr4(OH)8+8
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 F-  =  ZrF+++
-        -llnl_gamma           5.0    
-        log_k           +8.5835
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Zr++++  =  ZrF2++
-        -llnl_gamma           4.5    
-        log_k           +15.7377
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF2+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Zr++++  =  ZrF3+
-        -llnl_gamma           4.0    
-        log_k           +21.2792
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF3+
-#	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Zr++++  =  ZrF4
-        -llnl_gamma           3.0    
-        log_k           +25.9411
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4
-#	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 F- + 1.0000 Zr++++  =  ZrF5-
-        -llnl_gamma           4.0    
-        log_k           +30.3098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF5-
-#	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 F- + 1.0000 Zr++++  =  ZrF6--
-        -llnl_gamma           4.0    
-        log_k           +34.0188
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF6-2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 H2O  =  ZrOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +0.0457
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrOH+3
-#	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 SO4--  =  ZrSO4++
-        -llnl_gamma           4.5    
-        log_k           +3.6064
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrSO4+2
-#	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 O_phthalate-2  =  H2O_phthalate
-        -llnl_gamma           3.0    
-        log_k           +8.3580
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2O_phthalate
-#	Enthalpy of formation:	-0 kcal/mol
- 
-
-######################
-
-#Start of organic species added Feb. 4, 2011
-
-#######################
-
-# 1-Butanamine, C4H9NH2
-        + 2.0000 C2H5NH2  =  C4H9NH2  + 1.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +7.0171
-        -delta_h +36.110 kcal/mol
-        -analytic 2.6628e+000 1.4357e-003 1.7062e+003 -7.5117e-001 5.7612e+003
-#       -Range: 0-300
-
-# 1-Butanol, C4H9OH
-        + 2.0000 C2H5OH  =  C4H9OH  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    +6.5001
-        -delta_h +80.320 kcal/mol
-        -analytic -2.4958e+000 -1.9919e-003 2.3794e+003 6.5075e-001 3.7130e+001
-#       -Range: 0-300
-
-# 1-Butene, C4H8
-          + 2.0000 C2H4  =  C4H8
-        -llnl_gamma           3.0
-        log_k    +13.6266
-        -delta_h +5.635 kcal/mol
-        -analytic -6.9511e+000 -5.1950e-003 5.3537e+003 2.0720e+000 -8.5186e+004
-#       -Range: 0-300
-
-# 1-Butyne, C4H6
-      + 2.0000 C2H2 + 1.0000 H2O  =  C4H6  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -422.3711
-        -delta_h -33.4 kcal/mol
-        -analytic 8.0147e+000 -1.9434e-003 -9.6752e+002 -3.5459e+000 8.7444e+004
-#       -Range: 0-300
-
-# 1-Heptanamine, C7H15NH2
-        + 3.5000 C2H5NH2  =  C7H15NH2  + 2.5000 NH3
-        -llnl_gamma           3.0
-        log_k    +15.4646
-        -delta_h +51.990 kcal/mol
-        -analytic 8.1328e+000 2.9346e-003 3.6672e+003 -2.3594e+000 5.7222e+001
-#        -Range: 0-300
-
-# 1-Heptanol, C7H15OH
-        + 3.5000 C2H5OH  =  C7H15OH  + 2.5000 H2O
-        -llnl_gamma           3.0
-        log_k    +16.1733
-        -delta_h +97.270 kcal/mol
-        -analytic 1.1253e+000 -1.4421e-003 5.3337e+003 -9.7252e-001 8.3227e+001
-#       -Range: 0-300
-
-# 1-Heptene, C7H14
-          + 3.5000 C2H4  =  C7H14
-        -llnl_gamma           3.0
-        log_k    +30.5114
-        -delta_h +22.670 kcal/mol
-        -analytic -1.1457e+001 -1.3165e-002 1.1832e+004 3.2374e+000 -1.6063e+005
-#       -Range: 0-300
-
-# 1-Heptyne, C7H12
-      + 3.5000 C2H2 + 2.5000 H2O  =  C7H12  + 1.2500 O2
-        -llnl_gamma           3.0
-        log_k    -748.8076
-        -delta_h -16.98 kcal/mol
-        -analytic 6.8635e+000 -6.7966e-003 -3.7961e+003 -4.0767e+000 1.8009e+005
-#       -Range: 0-300
-
-# 1-Hexanamine, C6H13NH2
-        + 3.0000 C2H5NH2  =  C6H13NH2  + 2.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +12.3189
-        -delta_h +46.320 kcal/mol
-        -analytic 2.7655e+000 2.2270e-003 3.0793e+003 -5.7977e-001 4.8049e+001
-#       -Range: 0-300
-
-# 1-Hexanol, C6H13OH
-        + 3.0000 C2H5OH  =  C6H13OH  + 2.0000 H2O
-        -llnl_gamma           3.0
-        log_k    +13.8358
-        -delta_h +92.690 kcal/mol
-        -analytic 1.2093e+001 -8.5858e-004 4.0578e+003 -4.6909e+000 6.3315e+001
-#       -Range: 0-300
-
-# 1-Hexene, C6H12
-          + 3.0000 C2H4  =  C6H12
-        -llnl_gamma           3.0
-        log_k    +24.9076
-        -delta_h +17.025 kcal/mol
-        -analytic -1.8354e+001 -1.1761e-002 1.0127e+004 5.8975e+000 -1.5953e+005
-#       -Range: 0-300
-
-# 1-Hexyne, C6H10
-      + 3.0000 C2H2 + 2.0000 H2O  =  C6H10  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    -639.9392
-        -delta_h -22.34 kcal/mol
-        -analytic 2.6448e+001 -2.4295e-003 -3.8892e+003 -1.0837e+001 2.0944e+005
-#       -Range: 0-300
-
-# 1-Octanamine, C8H17NH2
-        + 4.0000 C2H5NH2  =  C8H17NH2  + 3.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +18.6103
-        -delta_h +57.660 kcal/mol
-        -analytic 9.9090e+000 3.5563e-003 4.4097e+003 -2.8869e+000 6.8807e+001
-#       -Range: 0-300
-
-# 1-Octanol, C8H12OH
-#        + 4.0000 C2H5OH  =  C8H12OH  + 3.0000 H2O
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    +19.7862
-#        -delta_h +103.060 kcal/mol
-#        -analytic -1.0628e+001 -4.8545e-003 7.2441e+003 3.0590e+000 1.1304e+002
-#       -Range: 0-300
-
-# 1-Octene, C8H16
-          + 4.0000 C2H4  =  C8H16
-        -llnl_gamma           3.0
-        log_k    +35.9760
-        -delta_h +28.120 kcal/mol
-        -analytic -3.3408e+001 -1.8810e-002 1.5052e+004 1.1026e+001 -2.4723e+005
-#       -Range: 0-300
-
-# 1-Octyne, C8H14
-      + 4.0000 C2H2 + 3.0000 H2O  =  C8H14  + 1.5000 O2
-        -llnl_gamma           3.0
-        log_k    -857.5439
-        -delta_h -11.33 kcal/mol
-        -analytic 4.5356e+001 -2.9242e-003 -6.8742e+003 -1.8272e+001 3.3648e+005
-#       -Range: 0-300
-
-# 1-Pentanamine, C5H11NH2
-        + 2.5000 C2H5NH2  =  C5H11NH2  + 1.5000 NH3
-        -llnl_gamma           3.0
-        log_k    +9.1805
-        -delta_h +40.650 kcal/mol
-        -analytic 8.4037e+000 2.7132e-003 1.9292e+003 -2.7349e+000 2.3844e+004
-#       -Range: 0-300
-
-# 1-Pentanol, C5H11OH
-        + 2.5000 C2H5OH  =  C5H11OH  + 1.5000 H2O
-        -llnl_gamma           3.0
-        log_k    +11.1245
-        -delta_h +87.730 kcal/mol
-        -analytic -9.8673e-001 -2.4789e-003 3.8322e+003 0.0000e+000 0.0000e+000
-#       -Range: 0-300
-
-# 1-Pentene, C5H10
-          + 2.5000 C2H4  =  C5H10
-        -llnl_gamma           3.0
-        log_k    +19.1718
-        -delta_h +11.200 kcal/mol
-        -analytic -5.8469e+001 -1.4970e-002 1.0267e+004 2.0489e+001 -2.6977e+005
-#       -Range: 0-300
-
-# 1-Pentyne, C5H8
-      + 2.5000 C2H2 + 1.5000 H2O  =  C5H8  + 0.7500 O2
-        -llnl_gamma           3.0
-        log_k    -531.1075
-        -delta_h -27.8 kcal/mol
-        -analytic 5.0924e+000 -3.9604e-003 -1.7557e+003 -2.7988e+000 1.1194e+005
-#       -Range: 0-300
-
-# 1-Propanamine, C3H7NH2
-        + 1.5000 C2H5NH2  =  C3H7NH2  + 0.5000 NH3
-        -llnl_gamma           3.0
-        log_k    +4.1279
-        -delta_h +30.680 kcal/mol
-        -analytic 2.8174e+000 8.5281e-004 9.7545e+002 -8.9491e-001 1.5220e+001
-#       -Range: 0-300
-
-# 1-Propanol, C3H7OH
-        + 1.5000 C2H5OH  =  C3H7OH  + 0.5000 H2O
-        -llnl_gamma           3.0
-        log_k    +3.8548
-        -delta_h +75.320 kcal/mol
-        -analytic -2.8360e+000 -1.0577e-003 1.4368e+003 8.8413e-001 2.2421e+001
-#       -Range: 0-300
-
-# 1-Propene, C3H6
-          + 1.5000 C2H4  =  C3H6
-        -llnl_gamma           3.0
-        log_k    +8.2573
-        -delta_h +0.290 kcal/mol
-        -analytic 1.1038e+001 -3.4869e-004 2.3006e+003 -4.2007e+000 3.5895e+001
-#       -Range: 0-300
-
-# 1-Propyne, C3H4
-      + 1.5000 C2H2 + 0.5000 H2O  =  C3H4  + 0.2500 O2
-        -llnl_gamma           3.0
-        log_k    -313.6201
-        -delta_h -38.97 kcal/mol
-        -analytic 2.4860e-002 -1.5316e-003 4.1336e+002 -3.4011e-001 3.0624e+004
-#       -Range: 0-300
-
-# # 2-Butanone, C4H8O	CH3C(O)CH2CH3
-#         + 4.0000 CH3COCH3  =  C4H8O  + 0.5000 O2
-# does not balance
-#         -llnl_gamma           3.0
-#         log_k    -1200.9839
-#         -delta_h +67.880 kcal/mol
-#         -analytic -2.1942e+001 9.8502e-004 -9.1936e+003 6.9213e+000 1.6006e+005
-#       -Range: 0-300
-
-# 2-Heptanone, C7H14O correct formula
-#        + 7.0000 CH3COCH3  =  C7H14O  + 2.0000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -2179.4136
-#        -delta_h +84.890 kcal/mol
-#        -analytic -1.8734e+002 -6.9923e-003 -3.0077e+004 6.2205e+001 -4.6928e+002
-#       -Range: 0-300
-
-# 2-Hexanone, C6H12O
-#        + 6.0000 CH3COCH3  =  C6H12O  + 1.5000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -1853.3802
-#        -delta_h +79.220 kcal/mol
-#        -analytic 3.3773e+002 5.9197e-002 -5.0406e+004 -1.2439e+002 1.7107e+006
-#       -Range: 0-300
-
-# 2-Hydroxybutanoate, C4H7O3-
-      + 1.0000 C3H7COOH + 0.5000 O2  =  C4H7O3-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.8116
-        -delta_h +169.810 kcal/mol
-        -analytic -5.4902e+001 -2.9840e-002 9.1382e+003 2.2664e+001 1.4261e+002
-#       -Range: 0-300
-
-# 2-Hydroxybutanoic, C4H8O3
-        + 1.0000 C3H7COOH + 0.5000 O2  =  C4H8O3
-        -llnl_gamma           3.0
-        log_k    -332.1774
-        -delta_h +169.670 kcal/mol
-        -analytic -3.0810e+001 -8.1378e-003 1.0507e+004 1.0709e+001 -1.5474e+005
-#       -Range: 0-300
-
-# 2-Hydroxydecanoate, C10H19O3-
-      + 5.0000 CH3COOH  =  C10H19O3-  + 3.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.7383
-        -delta_h +203.930 kcal/mol
-        -analytic -2.8008e+002 -1.9653e-002 -6.9199e+004 9.7024e+001 -1.0797e+003
-#       -Range: 0-300
-
-# 2-Hydroxydecanoic, C10H20O3
-        + 5.0000 CH3COOH  =  C10H20O3  + 3.5000 O2
-        -llnl_gamma           3.0
-        log_k    -984.2221
-        -delta_h +203.690 kcal/mol
-        -analytic -3.2602e+002 -2.4822e-002 -6.7352e+004 1.1523e+002 -1.0509e+003
-#       -Range: 0-300
-
-# 2-Hydroxyheptanoate, C7H13O3-
-      + 3.5000 CH3COOH  =  C7H13O3-  + 2.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.7383
-        -delta_h +186.900 kcal/mol
-        -analytic -2.0491e+002 -2.6664e-002 -3.9557e+004 7.2979e+001 -6.1720e+002
-#       -Range: 0-300
-
-# 2-Hydroxyheptanoic, C7H14O3
-        + 3.5000 CH3COOH  =  C7H14O3  + 2.0000 O2
-        -llnl_gamma           3.0
-        log_k    -658.2107
-        -delta_h +186.680 kcal/mol
-        -analytic -1.9142e+002 -1.4836e-002 -3.9307e+004 6.7281e+001 -6.1330e+002
-#       -Range: 0-300
-
-# 2-Hydroxyhexanoate, C6H11O3-
-      + 3.0000 CH3COOH  =  C6H11O3-  + 1.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.7384
-        -delta_h +181.240 kcal/mol
-        -analytic -1.7865e+002 -2.8722e-002 -2.9711e+004 6.4493e+001 -4.6357e+002
-#       -Range: 0-300
-
-# 2-Hydroxyhexanoic, C6H12O3
-        + 3.0000 CH3COOH  =  C6H12O3  + 1.5000 O2
-        -llnl_gamma           3.0
-        log_k    -549.5329
-        -delta_h +181.010 kcal/mol
-        -analytic 4.5831e+000 5.4145e-003 -3.9948e+004 -1.4677e+000 6.9991e+005
-#       -Range: 0-300
-
-# 2-Hydroxynonanoate, C9H17O3-
-      + 4.5000 CH3COOH  =  C9H17O3-  + 3.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.7383
-        -delta_h +198.250 kcal/mol
-        -analytic -2.5572e+002 -2.2155e-002 -5.9298e+004 8.9284e+001 -9.2521e+002
-#       -Range: 0-300
-
-# 2-Hydroxynonanoic, C9H18O3
-        + 4.5000 CH3COOH  =  C9H18O3  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -875.5516
-        -delta_h +198.020 kcal/mol
-        -analytic -1.1226e+002 -3.7272e-003 -6.9576e+004 4.0711e+001 8.3790e+005
-#       -Range: 0-300
-
-# 2-Hydroxyoctanoate, C8H15O3-
-      + 4.0000 CH3COOH  =  C8H15O3-  + 2.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.7383
-        -delta_h +192.570 kcal/mol
-        -analytic 6.7477e+001 1.2723e-002 -6.7802e+004 -2.4249e+001 1.1992e+006
-#       -Range: 0-300
-
-# 2-Hydroxyoctanoic, C8H16O3
-        + 4.0000 CH3COOH  =  C8H16O3  + 2.5000 O2
-        -llnl_gamma           3.0
-        log_k    -766.8885
-        -delta_h +192.350 kcal/mol
-        -analytic 1.8003e+002 3.4449e-002 -7.4099e+004 -6.4322e+001 1.6435e+006
-#       -Range: 0-300
-
-# 2-Hydroxypentanoate, C5H9O3-
-      + 1.0000 C4H9COOH + 0.5000 O2  =  C5H9O3-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.5918
-        -delta_h +175.770 kcal/mol
-        -analytic -3.4964e+001 -2.4619e-002 8.6213e+003 1.4743e+001 1.3454e+002
-#       -Range: 0-300
-
-# 2-Hydroxypentanoic, C5H10O3
-        + 1.0000 C4H9COOH + 0.5000 O2  =  C5H10O3
-        -llnl_gamma           3.0
-        log_k    -440.8552
-        -delta_h +175.340 kcal/mol
-        -analytic -4.8323e+001 -1.0534e-002 1.1616e+004 1.6913e+001 -2.3478e+005
-#       -Range: 0-300
-
-# 2-Octanone, C8H16O
-#       + 8.0000 CH3COCH3  =  C8H16O  + 2.5000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -2505.4468
-#        -delta_h +90.560 kcal/mol
-#        -analytic 3.9776e+002 7.5718e-002 -7.4592e+004 -1.4798e+002 2.2610e+006
-#       -Range: 0-300
-
-# 2-Pentanone, C5H10O
-#       + 5.0000 CH3COCH3  =  C5H10O  + 1.0000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -1527.6549
-#        -delta_h +73.460 kcal/mol
-#       -analytic 2.2603e+002 3.9343e-002 -3.3782e+004 -8.3253e+001 1.1722e+006
-#       -Range: 0-300
-
-# Acetaldehyde, CH3CHO
-        + 1.0000 CH3COOH  =  CH3CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -188.3673
-        -delta_h +50.380 kcal/mol
-        -analytic 2.3139e+001 9.8759e-003 -1.4924e+004 -9.4191e+000 8.0783e+004
-#       -Range: 0-300
-
-# Acetamide, CH3CONH2
-      + 1.0000 NH3 + 1.0000 CH3COOH  =  CH3CONH2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    +4.6947
-        -delta_h +77.290 kcal/mol
-        -analytic 2.4852e+001 5.3426e-003 1.3023e+003 -1.0554e+001 2.0315e+001
-#       -Range: 0-300
-
-# CH3COCH3, CH3COCH3
-      + 3.0000 HCO3- + 3.0000 H+  =  CH3COCH3  + 4.0000 O2
-        -llnl_gamma           3.0
-        log_k    -291.8554
-        -delta_h +61.720 kcal/mol
-        -analytic -2.5990E+03 -4.4302E-01 -5.7126E+02 9.8637E+02 -1.6901E-01
-#       -Range: 0-300
-
-# Adipate, C6H8O4-2
-    + 3.0000 CH3COOH  =  C6H8O4-2  + 2.0000 H+  + 1.0000 H2O  + 0.5000 O2
-        -llnl_gamma           4.0
-        log_k    -9.8223
-        -delta_h +227.780 kcal/mol
-        -analytic -1.6044e+002 -7.4583e-002 -9.1669e+003 6.5454e+001 -1.4299e+002
-#       -Range: 0-300
-
-# Adipic_acid, C6H10O4
-      + 3.0000 CH3COOH  =  C6H10O4  + 1.0000 H2O  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -467.5962
-        -delta_h +229.750 kcal/mol
-        -analytic -4.7527e+001 -1.3717e-002 -1.0191e+004 1.7857e+001 -1.5900e+002
-#       -Range: 0-300
-
-# Alanine, C3H7NO2
-  + 1.0000 NH3 + 3.0000 HCO3- + 3.0000 H+  =  C3H7NO2  + 1.0000 H2O  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -215.2132
-        -delta_h +132.130 kcal/mol
-        -analytic -1.8686E+03 -3.1237E-01 -5.4608E+02 7.0646E+02 -8.7774E-03
-#       -Range 0-300
-
-# Alanylglycine, C5H10N2O3
-    + 2.5000 C2H5NO2  =  C5H10N2O3  + 0.7500 O2  + 0.5000 H2O  + 0.5000 NH3
-        -llnl_gamma           3.0
-        log_k    -326.317
-        -delta_h +186.110 kcal/mol
-        -analytic 1.4154e+001 1.2917e-002 -2.0305e+004 -5.2689e+000 6.4481e+005
-#       -Range: 0-300
-
-# Asparagine, C4H8N2O3
-        + 2.0000 C2H5NO2  =  C4H8N2O3  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    +5.9386
-        -delta_h +186.660 kcal/mol
-        -analytic -1.7915e+001 8.7354e-004 2.1119e+003 6.1432e+000 1.1658e+005
-#       -Range: 0-300
-
-# Aspartic_acid, C4H7NO4
-        + 2.0000 C2H5NO2  =  C4H7NO4  + 1.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +1.1340
-        -delta_h +226.370 kcal/mol
-        -analytic -1.6456e+001 1.7980e-003 2.4086e+002 6.0721e+000 1.0866e+005
-#       -Range: 0-300
-
-# Azelaic_acid, C9H16O4
-      + 4.5000 CH3COOH  =  C9H16O4  + 2.0000 O2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -795.8139
-        -delta_h +240.700 kcal/mol
-        -analytic 2.0346e+002 2.5843e-002 -6.2187e+004 -7.1175e+001 1.4838e+006
-#       -Range: 0-300
-
-# Azelate, C9H14O4-2
-    + 4.5000 CH3COOH  =  C9H14O4-2  + 2.0000 H+  + 2.0000 O2  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -9.9176
-        -delta_h +241.660 kcal/mol
-        -analytic -2.5031e+002 -7.0995e-002 -3.9050e+004 9.5249e+001 -6.0927e+002
-#       -Range: 0-300
-
-# Ba(Ala)+, Ba(C3H6NO2)+
-      + 1.0000 Ba+2 + 1.0000 C3H7NO2  =  Ba(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.3949
-        -delta_h +243.703 kcal/mol
-        -analytic -1.9975e+001 5.8683e-003 -3.7242e+003 7.5785e+000 2.2969e+005
-#       -Range: 0-300
-
-# Ba(Ala)2, Ba(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Ba+2  =  Ba(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -19.3096
-        -delta_h +359.051 kcal/mol
-        -analytic 1.0973e+002 1.7563e-002 -2.0507e+004 -3.3504e+001 1.5490e+006
-#       -Range: 0-300
-
-# Ba(But)+, Ba(CH3(CH2)2CO2)+
-      + 1.0000 C3H7COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8378
-        -delta_h +253.285 kcal/mol
-        -analytic -1.6992e+001 3.8062e-003 -1.7104e+003 5.2858e+000 3.2839e+005
-#       -Range: 0-300
-
-# Ba(But)2, Ba(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.9857
-        -delta_h +378.066 kcal/mol
-        -analytic -2.9726e+000 1.9119e-003 -9.5963e+003 3.7172e+000 1.3721e+006
-#       -Range: 0-300
-
-# Ba(For)+, Ba(CHO2)+
-      + 1.0000 HCOOH + 1.0000 Ba+2  =  Ba(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3727
-        -delta_h +228.918 kcal/mol
-        -analytic 8.0004e-001 1.5487e-003 -2.7467e+002 -1.0939e+000 -4.2863e+000
-#       -Range: 0-300
-
-# Ba(For)2, Ba(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Ba+2  =  Ba(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.296
-        -delta_h +329.933 kcal/mol
-        -analytic 3.4358e+001 -2.1439e-003 -4.0534e+003 -1.1596e+001 2.9161e+005
-#       -Range: 0-300
-
-# Ba(Gly)+, Ba(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Ba+2  =  Ba(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.2881
-        -delta_h +235.808 kcal/mol
-        -analytic -4.3238e+000 8.7896e-003 -3.1933e+003 1.1733e+000 1.0974e+005
-#       -Range: 0-300
-
-# Ba(Gly)2, Ba(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Ba+2  =  Ba(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -17.1868
-        -delta_h +343.302 kcal/mol
-        -analytic 3.6958e+001 8.4550e-003 -1.2694e+004 -9.4136e+000 8.1935e+005
-#       -Range: 0-300
-
-# Ba(Glyc)+, Ba(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Ba+2  =  Ba(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.8338
-        -delta_h +282.924 kcal/mol
-        -analytic -1.6504e+001 4.4210e-004 -4.2741e+002 5.3311e+000 1.5913e+005
-#       -Range: 0-300
-
-# Ba(Glyc)2, Ba(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Ba+2  =  Ba(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.9674
-        -delta_h +436.833 kcal/mol
-        -analytic 5.7805e+000 -1.9337e-003 -5.5632e+003 -3.9310e-001 7.5344e+005
-#       -Range: 0-300
-
-# Ba(Lac)+, Ba(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Ba+2  =  Ba(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.223
-        -delta_h +291.416 kcal/mol
-        -analytic -1.3618e+001 2.4575e-003 -1.0433e+003 4.2488e+000 2.3666e+005
-#       -Range: 0-300
-
-# Ba(Lac)2, Ba(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Ba+2  =  Ba(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.6762
-        -delta_h +453.654 kcal/mol
-        -analytic 1.1971e+001 8.0125e-004 -7.9857e+003 -1.7124e+000 1.0808e+006
-#       -Range: 0-300
-
-# Ba(Pent)+, Ba(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.0673
-        -delta_h +259.492 kcal/mol
-        -analytic -3.4714e+001 4.4831e-003 -2.0568e+003 1.1920e+001 5.1000e+005
-#       -Range: 0-300
-
-# Ba(Pent)2, Ba(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.4241
-        -delta_h +389.909 kcal/mol
-        -analytic -3.2583e+001 3.5113e-003 -1.2204e+004 1.6052e+001 1.9881e+006
-#       -Range: 0-300
-
-# Ba(Prop)+, Ba(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Ba+2  =  Ba(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.7462
-        -delta_h +248.190 kcal/mol
-        -analytic -5.3032e+000 4.7638e-003 -2.1690e+003 1.1454e+000 3.1960e+005
-#       -Range: 0-300
-
-# Ba(Prop)2, Ba(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Ba+2  =  Ba(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.823
-        -delta_h +368.336 kcal/mol
-        -analytic -1.3636e+001 2.7509e-004 -7.6760e+003 6.8362e+000 1.1194e+006
-#       -Range: 0-300
-
-# Benzene, C6H6
-    + 6.0000 HCO3- + 6.0000 H+  =  C6H6  + 3.0000 H2O  + 7.5 O2
-        -llnl_gamma           3.0
-        log_k    -537.502
-        -delta_h -12.23 kcal/mol
-        -analytic -4.7749E+03 -8.0212E-01 -6.4755E+02 1.8097E+03 -7.4941E-01
-#       -Range: 0-300
-
-# Benzoate, C7H5O2-
-    + 3.5000 CH3COOH  =  C7H5O2-  + 4.0000 H2O  + 1.0000 H+  + 0.5000 O2
-        -llnl_gamma           6.0
-        log_k    -4.2001
-        -delta_h +84.990 kcal/mol
-        -analytic -1.6676e+002 -3.8444e-002 -5.4403e+003 6.2663e+001 -8.4843e+001
-#       -Range: 0-300
-
-# Benzoic_acid, C7H6O2
-      + 3.5000 CH3COOH  =  C7H6O2  + 4.0000 H2O  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -534.1773
-        -delta_h +85.070 kcal/mol
-        -analytic 1.5144e+001 3.5834e-003 -1.3334e+004 -5.4195e+000 4.1964e+005
-#       -Range: 0-300
-
-# Butanal, CH3(CH2)2CHO
-      + 1.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)2CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -406.1993
-        -delta_h +61.070 kcal/mol
-        -analytic -1.2090e+001 -8.7356e-004 -9.4627e+003 3.4311e+000 -1.4765e+002
-#       -Range: 0-300
-
-# Butanoate, C3H7COO-
-        + 1.0000 C3H7COOH  =  C3H7COO-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8085
-        -delta_h +128.630 kcal/mol
-        -analytic -8.2788e+001 -2.9877e-002 1.7558e+003 3.2727e+001 2.7421e+001
-#       -Range: 0-300
-
-# Butanoic_acid, C3H7COOH
-      + 4.0000 HCO3- + 4.0000 H+  =  C3H7COOH  + 5.0000 O2
-        -llnl_gamma           3.0
-        log_k    -358.9446
-        -delta_h +127.950 kcal/mol
-        -analytic -3.1892E+03 -5.4023E-01 -5.9261E+02 1.2095E+03 -3.5739E-01
-#       -Range: 0-300
-
-# Ca(Ala)+, Ca(C3H6NO2)+
-      + 1.0000 Ca+2 + 1.0000 C3H7NO2  =  Ca(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.1245
-        -delta_h +247.083 kcal/mol
-        -analytic 1.6971e+001 9.5706e-003 -6.1936e+003 -5.4079e+000 4.6397e+005
-#       -Range: 0-300
-
-# Ca(Ala)2, Ca(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Ca+2  =  Ca(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -18.8192
-        -delta_h +364.714 kcal/mol
-        -analytic 2.3029e+001 8.5155e-003 -1.5061e+004 -3.5999e+000 1.3386e+006
-#       -Range: 0-300
-
-# Ca(But)+, Ca(CH3(CH2)2CO2)+
-      + 1.0000 Ca+2 + 1.0000 C3H7COOH  =  Ca(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.2976
-        -delta_h +257.034 kcal/mol
-        -analytic -2.5048e+001 1.5166e-003 -1.4808e+003 8.3797e+000 4.0411e+005
-#       -Range: 0-300
-
-# Ca(But)2, Ca(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.9955
-        -delta_h +384.411 kcal/mol
-        -analytic 2.0646e+000 5.8047e-003 -9.1382e+003 5.9558e-001 1.4594e+006
-#       -Range: 0-300
-
-# Ca(For)+, Ca(CHO2)+
-      + 1.0000 HCOOH + 1.0000 Ca+2  =  Ca(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3229
-        -delta_h +231.998 kcal/mol
-        -analytic 2.9298e+000 9.5453e-004 -6.9686e+002 -1.7506e+000 1.0103e+005
-#       -Range: 0-300
-
-# Ca(For)2, Ca(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Ca+2  =  Ca(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2058
-        -delta_h +335.050 kcal/mol
-        -analytic 2.6958e+001 -7.2777e-005 -3.1911e+003 -1.0215e+001 3.4188e+005
-#       -Range: 0-300
-
-# Ca(Gly)+, Ca(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Ca+2  =  Ca(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.4281
-        -delta_h +238.629 kcal/mol
-        -analytic 9.6784e+000 9.2419e-003 -4.5102e+003 -3.5460e+000 2.7110e+005
-#       -Range: 0-300
-
-# Ca(Gly)2, Ca(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Ca+2  =  Ca(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -17.4463
-        -delta_h +347.942 kcal/mol
-        -analytic 4.7335e+001 1.2694e-002 -1.3050e+004 -1.4305e+001 9.4368e+005
-#       -Range: 0-300
-
-# Ca(Glyc)+, Ca(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Ca+2  =  Ca(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1836
-        -delta_h +285.318 kcal/mol
-        -analytic -6.6096e+000 1.5353e-003 -1.1777e+003 2.0325e+000 2.5764e+005
-#       -Range: 0-300
-
-# Ca(Glyc)2, Ca(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Ca+2  =  Ca(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.777
-        -delta_h +441.481 kcal/mol
-        -analytic 1.5520e+001 2.3781e-003 -5.6732e+003 -4.6723e+000 8.5347e+005
-#       -Range: 0-300
-
-# Ca(Lac)+, Ca(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Ca+2  =  Ca(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.4431
-        -delta_h +294.436 kcal/mol
-        -analytic -1.3975e+001 1.7379e-003 -1.2135e+003 4.6597e+000 3.1702e+005
-#       -Range: 0-300
-
-# Ca(Lac)2, Ca(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Ca+2  =  Ca(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2461
-        -delta_h +459.217 kcal/mol
-        -analytic -1.6205e+001 -2.3672e-004 -5.8180e+003 7.5258e+000 1.0619e+006
-#       -Range: 0-300
-
-# Ca(Pent)+, Ca(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.5674
-        -delta_h +263.187 kcal/mol
-        -analytic -3.1543e+001 3.4804e-003 -2.5576e+003 1.1076e+001 6.3392e+005
-#       -Range: 0-300
-
-# Ca(Pent)2, Ca(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.5042
-        -delta_h +396.159 kcal/mol
-        -analytic -3.4318e+001 6.3122e-003 -1.1437e+004 1.5421e+001 2.0603e+006
-#       -Range: 0-300
-
-# Ca(Prop)+, Ca(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Ca+2  =  Ca(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.2163
-        -delta_h +251.925 kcal/mol
-        -analytic -1.1303e+001 2.9020e-003 -2.0209e+003 3.4533e+000 3.9745e+005
-#       -Range: 0-300
-
-# Ca(Prop)2, Ca(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Ca+2  =  Ca(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.8533
-        -delta_h +374.653 kcal/mol
-        -analytic -2.1746e+001 2.3077e-003 -6.4906e+003 8.4496e+000 1.1644e+006
-#       -Range: 0-300
-
-# Cd(Ala)+, Cd(C3H6NO2)+
-      + 1.0000 Cd+2 + 1.0000 C3H7NO2  =  Cd(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3348
-        -delta_h +141.016 kcal/mol
-        -analytic -1.0583e+001 3.9676e-003 -4.0210e+003 5.0485e+000 4.5101e+005
-#       -Range: 0-300
-
-# Cd(Ala)2, Cd(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Cd+2  =  Cd(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -11.8894
-        -delta_h +263.420 kcal/mol
-        -analytic 2.5164e+001 8.5032e-003 -1.3671e+004 -4.0957e+000 1.4600e+006
-#       -Range: 0-300
-
-# Cd(But)+, Cd(CH3(CH2)2CO2)+
-      + 1.0000 Cd+2 + 1.0000 C3H7COOH  =  Cd(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.2875
-        -delta_h +147.174 kcal/mol
-        -analytic -2.4575e+001 -8.5197e-006 -1.6709e+003 8.7040e+000 4.7765e+005
-#       -Range: 0-300
-
-# Cd(But)2, Cd(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.976
-        -delta_h +276.419 kcal/mol
-        -analytic -5.3701e+000 4.5291e-003 -8.6471e+003 3.5125e+000 1.5458e+006
-#       -Range: 0-300
-
-# Cd(For)+, Cd(CHO2)+
-      + 1.0000 HCOOH + 1.0000 Cd+2  =  Cd(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.9131
-        -delta_h +121.320 kcal/mol
-        -analytic -5.5574e-001 -1.0359e-003 -8.1506e+002 -3.4199e-002 1.5786e+005
-#       -Range: 0-300
-
-# Cd(For)2, Cd(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Cd+2  =  Cd(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.6658
-        -delta_h +226.403 kcal/mol
-        -analytic 2.2826e+000 -3.7353e-003 -1.8618e+003 -1.1085e+000 3.7009e+005
-#       -Range: 0-300
-
-# Cd(Gly)+, Cd(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Cd+2  =  Cd(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.0885
-        -delta_h +132.088 kcal/mol
-        -analytic -1.0697e+001 4.7244e-003 -2.8241e+003 4.2651e+000 2.7816e+005
-#       -Range: 0-300
-
-# Cd(Gly)2, Cd(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Cd+2  =  Cd(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -11.1564
-        -delta_h +246.607 kcal/mol
-        -analytic 1.7236e+001 8.4272e-003 -9.8265e+003 -3.4936e+000 9.5253e+005
-#       -Range: 0-300
-
-# Cd(Glyc)+, Cd(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Cd+2  =  Cd(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.9637
-        -delta_h +174.381 kcal/mol
-        -analytic -2.7570e+000 5.5464e-004 -1.7718e+003 1.1165e+000 3.3942e+005
-#       -Range: 0-300
-
-# Cd(Glyc)2, Cd(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Cd+2  =  Cd(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.3775
-        -delta_h +331.279 kcal/mol
-        -analytic 1.7413e+001 2.4215e-003 -6.1858e+003 -5.1146e+000 9.6988e+005
-#       -Range: 0-300
-
-# Cd(Lac)+, Cd(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Cd+2  =  Cd(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1631
-        -delta_h +183.519 kcal/mol
-        -analytic -1.3237e+001 2.9922e-004 -1.6309e+003 4.8863e+000 3.8920e+005
-#       -Range: 0-300
-
-# Cd(Lac)2, Cd(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Cd+2  =  Cd(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.736
-        -delta_h +349.085 kcal/mol
-        -analytic -1.7558e+001 -6.8972e-004 -6.1408e+003 8.2844e+000 1.1691e+006
-#       -Range: 0-300
-
-# Cd(Pent)+, Cd(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.237
-        -delta_h +153.764 kcal/mol
-        -analytic -1.4232e+001 4.3507e-003 -3.5842e+003 5.3294e+000 7.6047e+005
-#       -Range: 0-300
-
-# Cd(Pent)2, Cd(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.0742
-        -delta_h +288.726 kcal/mol
-        -analytic -3.1302e+001 6.5168e-003 -1.1405e+004 1.4573e+001 2.1801e+006
-#       -Range: 0-300
-
-# Cd(Prop)+, Cd(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Cd+2  =  Cd(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0068
-        -delta_h +142.338 kcal/mol
-        -analytic -1.1700e+001 1.3228e-003 -2.0826e+003 4.0674e+000 4.6555e+005
-#       -Range: 0-300
-
-# Cd(Prop)2, Cd(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Cd+2  =  Cd(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.5531
-        -delta_h +267.043 kcal/mol
-        -analytic -2.7887e+001 1.1740e-003 -6.0022e+003 1.0916e+001 1.2569e+006
-#       -Range: 0-300
-
-# Co(Ala)+, Co(C3H6NO2)+
-      + 1.0000 Co+2 + 1.0000 C3H7NO2  =  Co(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.6449
-        -delta_h +136.245 kcal/mol
-        -analytic -6.6326e+000 4.2270e-003 -4.1512e+003 3.5761e+000 4.2801e+005
-#       -Range: 0-300
-
-# Co(Ala)2, Co(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Co+2  =  Co(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -12.3196
-        -delta_h +259.272 kcal/mol
-        -analytic 3.7901e+001 1.0752e-002 -1.3519e+004 -9.4658e+000 1.3658e+006
-#       -Range: 0-300
-
-# Co(But)+, Co(CH3(CH2)2CO2)+
-      + 1.0000 Co+2 + 1.0000 C3H7COOH  =  Co(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0977
-        -delta_h +144.234 kcal/mol
-        -analytic -1.2926e+001 1.1374e-003 -1.9544e+003 4.2567e+000 4.9139e+005
-#       -Range: 0-300
-
-# Co(But)2, Co(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Co+2  =  Co(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.806
-        -delta_h +274.655 kcal/mol
-        -analytic -1.7789e+001 3.3292e-003 -6.6509e+003 6.8084e+000 1.3765e+006
-#       -Range: 0-300
-
-# Co(For)+, Co(CHO2)+
-      + 1.0000 HCOOH + 1.0000 Co+2  =  Co(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.8934
-        -delta_h +118.148 kcal/mol
-        -analytic 3.4604e+000 -7.0163e-004 -6.4686e+002 -1.8241e+000 1.3725e+005
-#       -Range: 0-300
-
-# Co(For)2, Co(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Co+2  =  Co(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.4259
-        -delta_h +223.371 kcal/mol
-        -analytic 4.6480e+000 -2.8123e-003 -9.5823e+002 -3.1486e+000 2.4710e+005
-#       -Range: 0-300
-
-# Co(Gly)+, Co(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Co+2  =  Co(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.7081
-        -delta_h +129.082 kcal/mol
-        -analytic -6.1033e+000 4.7861e-003 -2.7304e+003 2.4628e+000 2.7041e+005
-#       -Range: 0-300
-
-# Co(Gly)2, Co(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Co+2  =  Co(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.4666
-        -delta_h +243.427 kcal/mol
-        -analytic 3.7958e+001 1.1767e-002 -9.8791e+003 -1.1599e+001 8.8179e+005
-#       -Range: 0-300
-
-# Co(Glyc)+, Co(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Co+2  =  Co(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.8538
-        -delta_h +171.331 kcal/mol
-        -analytic -5.3556e+000 -1.8875e-004 -1.2450e+003 1.7558e+000 3.0214e+005
-#       -Range: 0-300
-
-# Co(Glyc)2, Co(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Co+2  =  Co(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.1774
-        -delta_h +329.556 kcal/mol
-        -analytic 2.1760e+000 8.7672e-004 -4.0049e+003 -8.2381e-001 7.8900e+005
-#       -Range: 0-300
-
-# Co(Lac)+, Co(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Co+2  =  Co(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.5032
-        -delta_h +179.856 kcal/mol
-        -analytic -8.0185e+000 4.8796e-004 -1.7264e+003 2.7704e+000 3.8387e+005
-#       -Range: 0-300
-
-# Co(Lac)2, Co(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Co+2  =  Co(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2359
-        -delta_h +346.408 kcal/mol
-        -analytic 2.9324e+000 2.8527e-003 -6.1528e+003 -3.0383e-001 1.1020e+006
-#       -Range: 0-300
-
-# Co(Pent)+, Co(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Co+2  =  Co(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.1571
-        -delta_h +150.673 kcal/mol
-        -analytic -2.2797e+001 2.4832e-003 -2.8121e+003 8.2127e+000 7.1396e+005
-#       -Range: 0-300
-
-# Co(Pent)2, Co(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Co+2  =  Co(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.924
-        -delta_h +286.935 kcal/mol
-        -analytic -3.2956e+001 6.8817e-003 -1.0002e+004 1.3976e+001 2.0436e+006
-#       -Range: 0-300
-
-# Co(Prop)+, Co(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Co+2  =  Co(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.5866
-        -delta_h +138.347 kcal/mol
-        -analytic -5.0563e+000 1.9295e-003 -2.2644e+003 1.3628e+000 4.5635e+005
-#       -Range: 0-300
-
-# Co(Prop)2, Co(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Co+2  =  Co(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.6929
-        -delta_h +263.492 kcal/mol
-        -analytic -1.4853e+001 3.7021e-003 -5.7739e+003 4.9977e+000 1.1637e+006
-#       -Range: 0-300
-
-# Cu(Ala)+, Cu(C3H6NO2)+
-      + 1.0000 Cu+2 + 1.0000 C3H7NO2  =  Cu(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.8545
-        -delta_h +109.970 kcal/mol
-        -analytic -1.1698e+001 4.4099e-003 -2.4550e+003 5.1251e+000 3.6414e+005
-#       -Range: 0-300
-
-# Cu(Ala)2, Cu(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Cu+2  =  Cu(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3297
-        -delta_h +237.360 kcal/mol
-        -analytic -1.2813e+001 3.4309e-003 -8.8197e+003 9.0075e+000 1.2248e+006
-#       -Range: 0-300
-
-# Cu(But)+, Cu(CH3(CH2)2CO2)+
-      + 1.0000 Cu+2 + 1.0000 C3H7COOH  =  Cu(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.6982
-        -delta_h +114.768 kcal/mol
-        -analytic 1.9946e+000 3.2893e-003 -2.6114e+003 -1.1028e+000 5.1836e+005
-#       -Range: 0-300
-
-# Cu(But)2, Cu(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.0656
-        -delta_h +245.176 kcal/mol
-        -analytic -2.8831e+001 1.5210e-003 -6.1416e+003 1.1151e+001 1.3647e+006
-#       -Range: 0-300
-
-# Cu(For)+, CuCHO2+
-      + 1.0000 HCOOH + 1.0000 Cu+2  =  CuCHO2+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.7731
-        -delta_h +88.300 kcal/mol
-        -analytic 1.8727e+000 -1.0020e-003 -5.0154e+002 -1.1966e+000 1.1576e+005
-#       -Range: 0-300
-
-# Cu(For)2, Cu(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Cu+2  =  Cu(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.206
-        -delta_h +193.183 kcal/mol
-        -analytic 7.4586e+000 -2.6644e-003 -1.3786e+003 -3.7935e+000 2.8017e+005
-#       -Range: 0-300
-
-# Cu(Gly)+, Cu(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Cu+2  =  Cu(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.208
-        -delta_h +102.408 kcal/mol
-        -analytic -1.2098e+001 4.5923e-003 -1.3603e+003 4.7714e+000 2.0346e+005
-#       -Range: 0-300
-
-# Cu(Gly)2, Cu(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Cu+2  =  Cu(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.7266
-        -delta_h +221.770 kcal/mol
-        -analytic -6.9393e+000 5.1196e-003 -5.7575e+003 5.0366e+000 7.6022e+005
-#       -Range: 0-300
-
-# Cu(Glyc)+, Cu(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Cu+2  =  Cu(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -0.9434
-        -delta_h +142.561 kcal/mol
-        -analytic -8.4029e+000 -5.9451e-004 -7.5383e+002 2.8746e+000 2.7225e+005
-#       -Range: 0-300
-
-# Cu(Glyc)2, Cu(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Cu+2  =  Cu(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0075
-        -delta_h +300.664 kcal/mol
-        -analytic -9.6849e+000 -1.0687e-003 -3.3286e+003 3.8217e+000 7.7552e+005
-#       -Range: 0-300
-
-# Cu(Lac)+, Cu(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Cu+2  =  Cu(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.3033
-        -delta_h +151.481 kcal/mol
-        -analytic -1.1811e+001 3.4701e-005 -1.0895e+003 4.1370e+000 3.4922e+005
-#       -Range: 0-300
-
-# Cu(Lac)2, Cu(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Cu+2  =  Cu(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.5756
-        -delta_h +318.184 kcal/mol
-        -analytic -9.7842e+000 7.7321e-004 -5.2869e+003 4.6546e+000 1.0864e+006
-#       -Range: 0-300
-
-# Cu(Pent)+, Cu(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.7473
-        -delta_h +121.221 kcal/mol
-        -analytic -1.5283e+001 3.6782e-003 -3.0281e+003 5.4906e+000 7.1403e+005
-#       -Range: 0-300
-
-# Cu(Pent)2, Cu(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.1741
-        -delta_h +257.470 kcal/mol
-        -analytic -2.9542e+001 7.1204e-003 -1.0296e+004 1.3112e+001 2.0784e+006
-#       -Range: 0-300
-
-# Cu(Prop)+, Cu(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Cu+2  =  Cu(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.6762
-        -delta_h +109.577 kcal/mol
-        -analytic -1.3220e+001 7.8363e-004 -1.4925e+003 4.3301e+000 4.1063e+005
-#       -Range: 0-300
-
-# Cu(Prop)2, Cu(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Cu+2  =  Cu(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.0326
-        -delta_h +235.268 kcal/mol
-        -analytic -1.0718e+001 3.9487e-003 -5.8699e+003 3.9089e+000 1.2053e+006
-#       -Range: 0-300
-
-# Decanal, CH3(CH2)8CHO
-      + 4.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)8CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -1058.134
-        -delta_h +95.290 kcal/mol
-        -analytic -7.6767e+001 -2.9579e-002 4.2940e+003 2.8063e+001 6.7027e+001
-#       -Range: 0-300
-
-# Decanoate, C10H19O2-
-      + 5.0000 CH3COOH  =  C10H19O2-  + 4.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.9185
-        -delta_h +162.700 kcal/mol
-        -analytic -3.1511e+002 -2.1029e-002 -7.6356e+004 1.0982e+002 -1.1914e+003
-#       -Range: 0-300
-
-# Decanoic_acid, C10H20O2
-        + 5.0000 CH3COOH  =  C10H20O2  + 4.0000 O2
-        -llnl_gamma           3.0
-        log_k    -1010.8207
-        -delta_h +162.200 kcal/mol
-        -analytic 1.9927e+002 4.5966e-002 -1.0812e+005 -7.0739e+001 2.1239e+006
-#       -Range: 0-300
-
-# Diglycine, C4H8N2O3
-        + 2.0000 C2H5NO2  =  C4H8N2O3  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -2.5863
-        -delta_h +175.640 kcal/mol
-        -analytic -9.6588e+000 2.9406e-003 -1.1504e+003 3.1397e+000 2.0330e+005
-#       -Range: 0-300
-
-# Diketopiperazine, C4H6N2O2
-        + 2.0000 C2H5NO2  =  C4H6N2O2  + 2.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -4.7063
-        -delta_h +99.300 kcal/mol
-        -analytic 3.4352e+000 4.6987e-003 -3.2032e+003 -4.8114e-001 2.1265e+005
-#       -Range: 0-300
-
-# Dodecanoate, C12H23O2-
-      + 6.0000 CH3COOH  =  C12H23O2-  + 5.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.9185
-        -delta_h -174.04 kcal/mol
-        -analytic 5.7006e+002 1.0646e-001 -1.5130e+005 -2.0765e+002 3.4121e+006
-#       -Range: 0-300
-
-# Dodecanoic_acid, C12H24O2
-        + 6.0000 CH3COOH  =  C12H24O2  + 5.0000 O2
-        -llnl_gamma           3.0
-        log_k    -1228.1689
-        -delta_h +173.540 kcal/mol
-        -analytic 6.5537e+002 1.1671e-001 -1.5726e+005 -2.3542e+002 3.8794e+006
-#       -Range: 0-300
-
-# Ethanamine, C2H5NH2
-    + 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+  =  C2H5NH2  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -223.647
-        -delta_h +23.830 kcal/mol
-        -analytic -1.9599E+03 -3.3677E-01 -5.4980E+02 7.4290E+02 -4.9475E-02
-#       -Range: 0-300
-
-# Ethane, C2H6
-    + 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+  =  C2H6  + 3.5000 O2
-        -llnl_gamma           3.0
-        log_k    -254.5034
-        -delta_h +24.650 kcal/mol
-        -analytic -2.2475E+03 -3.8473E-01 -5.6009E+02 8.5243E+02 -1.2340E-01
-#       -Range: 0-300
-
-# Ethanol, C2H5OH
-    + 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+  =  C2H5OH  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -224.1415
-        -delta_h +68.650 kcal/mol
-        -analytic -1.9805E+03 -3.3932E-01 -5.5095E+02 7.5133E+02 -5.5268E-02
-#       -Range: 0-300
-
-# Ethyne, C2H2
-    + 2.0000 HCO3- + 2.0000 H+  =  C2H2  + 1.0000 H2O  + 2.5000 O2
-        -llnl_gamma           3.0
-        log_k    -209.3843
-        -delta_h -50.7 kcal/mol
-        -analytic -1.8747E+03 -3.1966E-01 -5.4744E+02 7.1215E+02 -3.1389E-02
-#       -Range: 0-300
-
-# Ethylacetate, CH3COOCH2CH3
-        + 1.0000 C2H4 + 1.0000 CH3COOH  =  CH3COOCH2CH3
-        -llnl_gamma           3.0
-        log_k    +2.9247
-        -delta_h +116.840 kcal/mol
-        -analytic -1.2558e+001 -3.4591e-003 2.2166e+003 3.6667e+000 3.4592e+001
-#       -Range: 0-300
-
-# Ethylbenzene, C6H5C2H5
-#      + 4.0000 C6H6 + 3.0000 H2O  =  C6H5C2H5  + 1.5000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -2256.5242
-#        -delta_h +2.500 kcal/mol
-#        -analytic 2.7546e+002 5.0556e-002 -4.5964e+004 -1.0201e+002 8.4857e+005
-#       -Range: 0-300
-
-# Eu(Ala)+, Eu(C3H6NO2)+
-      + 1.0000 Eu+2 + 1.0000 C3H7NO2  =  Eu(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.2139
-        -delta_h +242.060 kcal/mol
-        -analytic 1.4058e+001 1.0581e-002 -6.6420e+003 -4.0654e+000 5.2699e+005
-#       -Range: 0-300
-
-# Eu(Ala)2, Eu(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Eu+2  =  Eu(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -18.7503
-        -delta_h +358.510 kcal/mol
-        -analytic 1.3352e+001 7.6973e-003 -1.7130e+004 1.7787e+000 1.6606e+006
-#       -Range: 0-300
-
-# Eu(But)+, Eu(CH3(CH2)2CO2)+
-      + 1.0000 Eu+2 + 1.0000 C3H7COOH  =  Eu(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.538
-        -delta_h +251.804 kcal/mol
-        -analytic -1.5879e+001 3.8795e-003 -2.7555e+003 5.4947e+000 5.2007e+005
-#       -Range: 0-300
-
-# Eu(But)+2, Eu(CH3(CH2)2CO2)+2
-      + 1.0000 Eu+3 + 1.0000 C3H7COOH  =  Eu(CH3(CH2)2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.048
-        -delta_h +276.036 kcal/mol
-        -analytic -9.7855e+000 1.8979e-003 -2.3175e+003 3.4425e+000 5.7272e+005
-#       -Range: 0-300
-
-# Eu(But)2, Eu(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Eu+2  =  Eu(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.5254
-        -delta_h +377.392 kcal/mol
-        -analytic 1.1271e+001 7.7268e-003 -1.2418e+004 -8.4949e-001 1.8391e+006
-#       -Range: 0-300
-
-# Eu(But)2+, Eu(CH3(CH2)2CO2)2+
-      + 2.0000 C3H7COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.876
-        -delta_h +405.964 kcal/mol
-        -analytic -3.4218e+000 7.6886e-003 -6.2895e+003 1.1718e+000 1.2875e+006
-#       -Range: 0-300
-
-# Eu(For)+, EuCHO2+
-      + 1.0000 HCOOH + 1.0000 Eu+2  =  EuCHO2+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.353
-        -delta_h +227.054 kcal/mol
-        -analytic -3.3218e+000 9.1062e-004 -1.1082e+003 9.9294e-001 1.7476e+005
-#       -Range: 0-300
-
-# Eu(For)+2, EuCHO2+2
-      + 1.0000 HCOOH + 1.0000 Eu+3  =  EuCHO2+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -0.9632
-        -delta_h +249.786 kcal/mol
-        -analytic 1.3475e+000 -5.3304e-004 -7.1045e+002 -7.9702e-001 1.9639e+005
-#       -Range: 0-300
-
-# Eu(For)2, Eu(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Eu+2  =  Eu(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.7961
-        -delta_h +329.314 kcal/mol
-        -analytic 2.0204e+001 -4.0598e-004 -5.2985e+003 -5.9131e+000 6.6991e+005
-#       -Range: 0-300
-
-# Eu(For)2+, Eu(CHO2)2+
-      + 2.0000 HCOOH + 1.0000 Eu+3  =  Eu(CHO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.7158
-        -delta_h +354.544 kcal/mol
-        -analytic 4.1316e+000 -3.0069e-003 -3.8235e+002 -2.6986e+000 1.7945e+005
-#       -Range: 0-300
-
-# Eu(Gly)+, Eu(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Eu+2  =  Eu(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.1283
-        -delta_h +234.136 kcal/mol
-        -analytic -1.3352e+001 7.3561e-003 -3.7321e+003 5.0576e+000 2.7090e+005
-#       -Range: 0-300
-
-# Eu(Gly)2, Eu(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Eu+2  =  Eu(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -16.5066
-        -delta_h +342.929 kcal/mol
-        -analytic 2.6146e+001 1.0368e-002 -1.4175e+004 -4.8232e+000 1.2226e+006
-#       -Range: 0-300
-
-# Eu(Glyc)+, Eu(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Eu+2  =  Eu(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.5333
-        -delta_h +279.938 kcal/mol
-        -analytic -1.1341e+001 1.8436e-003 -1.7310e+003 4.1823e+000 3.3141e+005
-#       -Range: 0-300
-
-# Eu(Glyc)2, Eu(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Eu+2  =  Eu(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.757
-        -delta_h +433.849 kcal/mol
-        -analytic 2.6027e+000 1.1080e-003 -7.8729e+003 1.8735e+000 1.1647e+006
-#       -Range: 0-300
-
-# Eu(Lac)+, Eu(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Eu+2  =  Eu(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.9328
-        -delta_h +288.803 kcal/mol
-        -analytic -6.8714e+000 3.8415e-003 -2.4462e+003 2.5210e+000 4.2462e+005
-#       -Range: 0-300
-
-# Eu(Lac)2, Eu(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Eu+2  =  Eu(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.0656
-        -delta_h +451.723 kcal/mol
-        -analytic 1.5690e+000 2.8366e-003 -9.6953e+003 3.0359e+000 1.4716e+006
-#       -Range: 0-300
-
-# Eu(Pent)+, Eu(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Eu+2  =  Eu(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8569
-        -delta_h +257.888 kcal/mol
-        -analytic -1.8827e+001 6.5719e-003 -3.9749e+003 6.8334e+000 7.5209e+005
-#       -Range: 0-300
-
-# Eu(Pent)+2, Eu(CH3(CH2)3CO2)+2
-      + 1.0000 C4H9COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)3CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.0773
-        -delta_h +282.516 kcal/mol
-        -analytic -3.0633e+001 1.5481e-003 -2.5917e+003 1.1399e+001 7.6469e+005
-#       -Range: 0-300
-
-# Eu(Pent)2+, Eu(CH3(CH2)3CO2)2+
-      + 2.0000 C4H9COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)3CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.9441
-        -delta_h +418.206 kcal/mol
-        -analytic -3.7682e+001 1.0658e-002 -8.0528e+003 1.4565e+001 1.8292e+006
-#       -Range: 0-300
-
-# Eu(Prop)+, Eu(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Eu+2  =  Eu(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.3262
-        -delta_h +246.872 kcal/mol
-        -analytic -1.9603e+001 2.7407e-003 -2.2921e+003 6.8757e+000 4.5820e+005
-#       -Range: 0-300
-
-# Eu(Prop)+2, Eu(CH3CH2CO2)+2
-      + 1.0000 C2H5COOH + 1.0000 Eu+3  =  Eu(CH3CH2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.0363
-        -delta_h +270.831 kcal/mol
-        -analytic -1.0272e+001 1.5651e-003 -1.9970e+003 3.5396e+000 5.0897e+005
-#       -Range: 0-300
-
-# Eu(Prop)2, Eu(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Eu+2  =  Eu(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.3927
-        -delta_h +367.621 kcal/mol
-        -analytic 4.1333e-001 5.9591e-003 -1.0532e+004 2.3781e+000 1.5907e+006
-#       -Range: 0-300
-
-# Eu(Prop)2+, Eu(CH3CH2CO2)2+
-      + 2.0000 C2H5COOH + 1.0000 Eu+3  =  Eu(CH3CH2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8628
-        -delta_h +396.115 kcal/mol
-        -analytic -1.7270e+001 4.2004e-003 -4.5560e+003 5.8571e+000 1.0648e+006
-#       -Range: 0-300
-
-# Fe(Ala)+, Fe(C3H6NO2)+
-      + 1.0000 Fe+2 + 1.0000 C3H7NO2  =  Fe(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.4374
-        -delta_h +145.225 kcal/mol
-        -analytic -6.8881e-001 4.8406e-003 -4.2771e+003 1.2355e+000 4.5422e+005
-#       -Range: 0-300
-
-# Fe(Ala)2, Fe(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Fe+2  =  Fe(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -12.0822
-        -delta_h +268.535 kcal/mol
-        -analytic 1.0817e+001 7.0057e-003 -1.1636e+004 -9.2499e-002 1.2704e+006
-#       -Range: 0-300
-
-# Fe(But)+, Fe(CH3(CH2)2CO2)+
-      + 1.0000 Fe+2 + 1.0000 C3H7COOH  =  Fe(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.2003
-        -delta_h +151.642 kcal/mol
-        -analytic -1.1468e+001 1.5002e-003 -2.0030e+003 3.6750e+000 4.8551e+005
-#       -Range: 0-300
-
-# Fe(But)2, Fe(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.998
-        -delta_h +281.765 kcal/mol
-        -analytic -2.8364e+001 1.7011e-003 -6.1151e+003 1.0670e+001 1.3334e+006
-#       -Range: 0-300
-
-# Fe(For)+, FeCHO2+
-      + 1.0000 HCOOH + 1.0000 Fe+2  =  FeCHO2+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.9256
-        -delta_h +125.651 kcal/mol
-        -analytic -4.2844e-001 -1.1907e-003 -4.0278e+002 -4.4791e-001 1.1757e+005
-#       -Range: 0-300
-
-# Fe(For)2, Fe(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Fe+2  =  Fe(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.4889
-        -delta_h +230.658 kcal/mol
-        -analytic 2.6286e+000 -3.2750e-003 -8.7717e+002 -2.3516e+000 2.3378e+005
-#       -Range: 0-300
-
-# Fe(Gly)+, Fe(C2H4NO2)+
-      + 1.0000 C2H5NO2 + 1.0000 Fe+2  =  Fe(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.4609
-        -delta_h +134.682 kcal/mol
-        -analytic -1.5456e+001 3.9367e-003 -2.4338e+003 5.8876e+000 2.1566e+005
-#       -Range: 0-300
-
-# Fe(Gly)2, Fe(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Fe+2  =  Fe(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -12.0191
-        -delta_h +248.527 kcal/mol
-        -analytic -4.9791e+000 5.5006e-003 -7.9837e+003 3.9747e+000 7.3594e+005
-#       -Range: 0-300
-
-# Fe(Glyc)+, Fe(CH3OCO2)+
-      + 1.0000 C2H4O3 + 1.0000 Fe+2  =  Fe(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.6566
-        -delta_h +179.149 kcal/mol
-        -analytic -1.1315e+001 -1.3546e-003 -9.1265e+002 4.0008e+000 2.8737e+005
-#       -Range: 0-300
-
-# Fe(Glyc)2, Fe(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Fe+2  =  Fe(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.8197
-        -delta_h +337.416 kcal/mol
-        -analytic -2.4214e+001 -3.9432e-003 -2.6649e+003 9.0425e+000 7.2466e+005
-#       -Range: 0-300
-
-# Fe(Lac)+, Fe(CH3CH2OCO2)+
-      + 1.0000 C3H6O3 + 1.0000 Fe+2  =  Fe(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.7453
-        -delta_h +188.437 kcal/mol
-        -analytic -1.4649e+001 -2.7787e-004 -1.0617e+003 5.0960e+000 3.5122e+005
-#       -Range: 0-300
-
-# Fe(Lac)2, Fe(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Fe+2  =  Fe(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.9788
-        -delta_h +355.495 kcal/mol
-        -analytic -1.6235e+001 -4.1634e-005 -4.7223e+003 6.6708e+000 1.0336e+006
-#       -Range: 0-300
-
-# Fe(Pent)+, Fe(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.2802
-        -delta_h +158.054 kcal/mol
-        -analytic -2.6685e+001 2.0954e-003 -2.5680e+003 9.5548e+000 6.9089e+005
-#       -Range: 0-300
-
-# Fe(Pent)2, Fe(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.1571
-        -delta_h +293.990 kcal/mol
-        -analytic -4.2465e+001 5.3731e-003 -9.5476e+003 1.7464e+001 2.0055e+006
-#       -Range: 0-300
-
-# Fe(Prop)+, Fe(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Fe+2  =  Fe(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.289
-        -delta_h +146.301 kcal/mol
-        -analytic -7.3746e+000 1.6930e-003 -2.0030e+003 2.1641e+000 4.4097e+005
-#       -Range: 0-300
-
-# Fe(Prop)2, Fe(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Fe+2  =  Fe(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.1556
-        -delta_h +271.598 kcal/mol
-        -analytic -1.9694e+001 2.8321e-003 -5.3596e+003 6.8142e+000 1.1417e+006
-#       -Range: 0-300
-
-# Formaldehyde, HCHO
-      + 1.0000 CH3COOH  =  HCHO  + 0.5000 C2H4  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -86.5725
-        -delta_h +33.890 kcal/mol
-        -analytic 1.3515e+002 2.8915e-002 -2.5168e+004 -4.9725e+001 4.2808e+005
-#       -Range: 0-300
-
-# Formate, HCOO-
-        + 1.0000 HCOOH  =  HCOO-  + 1.0000 H+
-        -llnl_gamma           3.5
-        log_k    -3.753
-        -delta_h +101.680 kcal/mol
-        -analytic -9.4187e+001 -3.4616e-002 1.8918e+003 3.8145e+001 2.9547e+001
-#       -Range: 0-300
-
-# Formic_acid, HCOOH
-      HCO3- + H+ 1.0000  =  HCOOH  + 0.5O2 
-        -llnl_gamma           3.0
-        log_k    -39.0524
-        -delta_h +101.680 kcal/mol
-        -analytic -3.4508E+02 -4.9133E-02 -4.9396E+02 1.3024E+02 3.5416E-01
-#       -Range: 0-300
-
-# Gd(But)+2, Gd(CH3(CH2)2CO2)+2
-      + 1.0000 Gd+3 + 1.0000 C3H7COOH  =  Gd(CH3(CH2)2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1778
-        -delta_h +294.884 kcal/mol
-        -analytic -9.4460e+000 2.4870e-003 -2.3699e+003 3.2918e+000 5.6419e+005
-#       -Range: 0-300
-
-# Gd(But)2+, Gd(CH3(CH2)2CO2)2+
-      + 2.0000 C3H7COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.1157
-        -delta_h +424.078 kcal/mol
-        -analytic -1.4589e+001 7.2722e-003 -5.7356e+003 5.1448e+000 1.2310e+006
-#       -Range: 0-300
-
-# Gd(For)+2, GdCHO2+2
-      + 1.0000 Gd+3 + 1.0000 HCOOH  =  GdCHO2+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.0929
-        -delta_h +268.634 kcal/mol
-        -analytic -6.8541e-001 -3.3966e-004 -6.4856e+002 -7.2227e-002 1.8259e+005
-#       -Range: 0-300
-
-# Gd(For)2+, Gd(CHO2)2+
-      + 2.0000 HCOOH + 1.0000 Gd+3  =  Gd(CHO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.9562
-        -delta_h +372.659 kcal/mol
-        -analytic -3.5152e+000 -3.2979e-003 -1.3266e+002 1.3417e-001 1.4806e+005
-#       -Range: 0-300
-
-# Gd(Pent)+2, Gd(CH3(CH2)3CO2)+2
-      + 1.0000 C4H9COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)3CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.2071
-        -delta_h +301.364 kcal/mol
-        -analytic -2.8290e+001 2.4126e-003 -2.7617e+003 1.0531e+001 7.6352e+005
-#       -Range: 0-300
-
-# Gd(Pent)2+, Gd(CH3(CH2)3CO2)2+
-      + 2.0000 C4H9COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)3CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.1846
-        -delta_h +436.320 kcal/mol
-        -analytic -5.3965e+001 9.5419e-003 -7.2168e+003 2.0378e+001 1.7572e+006
-#       -Range: 0-300
-
-# Gd(Prop)+2, GdCH3CH2CO2+2
-      + 1.0000 C2H5COOH + 1.0000 Gd+3  =  GdCH3CH2CO2+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1763
-        -delta_h +289.666 kcal/mol
-        -analytic -1.7869e+001 1.0366e-003 -1.6096e+003 6.2464e+000 4.7496e+005
-#       -Range: 0-300
-
-# Gd(Prop)2+, Gd(CH3CH2CO2)2+
-      + 2.0000 C2H5COOH + 1.0000 Gd+3  =  Gd(CH3CH2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.1127
-        -delta_h +414.216 kcal/mol
-        -analytic -4.1151e+001 1.7684e-003 -3.3631e+003 1.4486e+001 9.7618e+005
-#       -Range: 0-300
-
-# Glutamic_acid, C5H9NO4
-    + 2.5000 C2H5NO2 + 0.5000 H2O  =  C5H9NO4  + 1.5000 NH3  + 0.7500 O2
-        -llnl_gamma         3.0           3.0
-        log_k    -321.9443
-        -delta_h +232.000 kcal/mol
-        -analytic 1.3643e+002 3.2714e-002 -2.5437e+004 -4.8787e+001 7.4165e+005
-#       -Range: 0-300
-
-# Glutamine, C5H10N2O3
-    + 2.5000 C2H5NO2  =  C5H10N2O3  + 0.7500 O2  + 0.5000 H2O  + 0.5000 NH3
-        -llnl_gamma           3.0
-        log_k    +2.8622
-        -delta_h +192.330 kcal/mol
-        -analytic 8.7755e+001 2.3462e-002 -2.1760e+004 -3.1651e+001 7.0288e+005
-#       -Range: 0-300
-
-# Glutarate, C5H6O4-2
-      + 2.5000 CH3COOH  =  C5H6O4-2  + 2.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -9.7563
-        -delta_h +224.140 kcal/mol
-        -analytic -1.3762e+002 -7.5681e-002 1.3347e+003 5.7954e+001 2.0867e+001
-#       -Range: 0-300
-
-# Glutaric_acid, C5H8O4
-        + 2.5000 CH3COOH  =  C5H8O4  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -357.4964
-        -delta_h +223.440 kcal/mol
-        -analytic -9.9184e+000 -1.0441e-002 -1.9203e+001 4.2761e+000 -2.9671e-001
-#       -Range: 0-300
-
-# Glycine, C2H5NO2
-  + 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+  =  C2H5NO2  + 1.0000 H2O  + 1.5000 O2
-        -llnl_gamma           3.0
-        log_k    -108.1715
-        -delta_h +122.846 kcal/mol
-        -analytic -9.2863E+02 -1.5296E-01 -5.1446E+02 3.5064E+02 2.0391E-01
-#       -Range: 0-300
-
-# Glycolate, C2H3O3-
-        + 1.0000 C2H4O3  =  C2H3O3-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.8336
-        -delta_h +154.700 kcal/mol
-        -analytic -9.9557e+001 -3.6800e-002 1.9551e+003 4.0462e+001 3.0537e+001
-#       -Range: 0-300
-
-# Glycolic_acid, C2H4O3
-      + 2.0000 HCO3- + 2.0000 H+  =  C2H4O3  + 1.5000 O2
-        -llnl_gamma           3.0
-        log_k    -117.3507
-        -delta_h +154.890 kcal/mol
-        -analytic -1.0189E+03 -1.6160E-01 -5.1773E+02 3.8447E+02 1.7876E-01
-#       -Range: 0-300
-
-# H-Adipate, C6H9O4-
-    + 3.0000 CH3COOH  =  C6H9O4-  + 1.0000 H+  + 1.0000 H2O  + 0.5000 O2
-        -llnl_gamma           4.0
-        log_k    -4.4127
-        -delta_h +227.130 kcal/mol
-        -analytic -5.8686e+001 -2.8724e-002 -1.0743e+004 2.3135e+001 -1.6761e+002
-#       -Range: 0-300
-
-# H-Azelate, C9H15O4-
-    + 4.5000 CH3COOH  =  C9H15O4-  + 2.0000 O2  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.5226
-        -delta_h +240.970 kcal/mol
-        -analytic 2.2650e+002 2.5261e-002 -6.2618e+004 -8.1084e+001 1.3566e+006
-#       -Range: 0-300
-
-# H-Glutarate, C5H7O4-
-      + 2.5000 CH3COOH  =  C5H7O4-  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.3394
-        -delta_h +223.570 kcal/mol
-        -analytic -4.0300e+001 -3.0858e-002 -9.3931e+001 1.7357e+001 -1.4538e+000
-#       -Range: 0-300
-
-# H-Malonate, C3H3O4-
-    + 1.5000 CH3COOH + 1.0000 O2  =  C3H3O4-  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -2.8513
-        -delta_h +207.850 kcal/mol
-        -analytic -5.6715e+000 -3.3611e-002 1.9552e+004 6.4983e+000 3.0509e+002
-#       -Range: 0-300
-
-# H-Oxalate, C2HO4-
-    + 1.5000 O2 + 1.0000 CH3COOH  =  C2HO4-  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -1.2703
-        -delta_h +195.600 kcal/mol
-        -analytic 1.3266e+001 -3.3064e-002 2.8427e+004 0.0000e+000 0.0000e+000
-#       -Range: 0-300
-
-# H-Pimelate, C7H11O4-
-    + 3.5000 CH3COOH  =  C7H11O4-  + 1.0000 H+  + 1.0000 H2O  + 1.0000 O2
-        -llnl_gamma           4.0
-        log_k    -4.486
-        -delta_h +234.040 kcal/mol
-        -analytic -7.7415e+001 -2.6046e-002 -2.0605e+004 2.8981e+001 -3.2150e+002
-#       -Range: 0-300
-
-# H-Sebacate, C10H17O4-
-    + 5.0000 CH3COOH  =  C10H17O4-  + 2.5000 O2  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.5446
-        -delta_h +246.230 kcal/mol
-        -analytic -1.5704e+002 -1.8900e-002 -5.1105e+004 5.4466e+001 -7.9740e+002
-#       -Range: 0-300
-
-# H-Suberate, C8H13O4-
-    + 4.0000 CH3COOH  =  C8H13O4-  + 1.5000 O2  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.508
-        -delta_h +238.130 kcal/mol
-        -analytic -1.0933e+002 -2.4139e-002 -3.0563e+004 3.9365e+001 -4.7687e+002
-#       -Range: 0-300
-
-# H-Succinate, C4H5O4-
-    + 2.0000 CH3COOH + 0.5000 O2  =  C4H5O4-  + 1.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.2075
-        -delta_h +217.350 kcal/mol
-        -analytic -3.0274e+001 -3.3174e-002 1.0329e+004 1.4429e+001 1.6118e+002
-#       -Range: 0-300
-
-# HO2-, HO2-
-      + 1.0000 H2O + 0.5000 O2  =  HO2-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -28.3019
-        -delta_h +38.320 kcal/mol
-        -analytic -4.1095e+001 -3.1617e-002 -7.2259e+003 1.8765e+001 -1.1274e+002
-#       -Range: 0-300
-
-# Heptanal, CH3(CH2)5CHO
-      + 2.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)5CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -733.0243
-        -delta_h +77.010 kcal/mol
-        -analytic -4.4470e+001 -1.5235e-002 -2.8387e+003 1.5763e+001 -4.4282e+001
-#       -Range: 0-300
-
-# Heptanoate, C6H13COO-
-      + 3.5000 CH3COOH  =  C6H13COO-  + 2.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8928
-        -delta_h +145.620 kcal/mol
-        -analytic -2.3984e+002 -2.7315e-002 -4.6686e+004 8.5594e+001 -7.2843e+002
-#       -Range: 0-300
-
-# Heptanoic_acid, C6H13COOH
-        + 3.5000 CH3COOH  =  C6H13COOH  + 2.5000 O2
-        -llnl_gamma           3.0
-        log_k    -684.8753
-        -delta_h +145.080 kcal/mol
-        -analytic 4.8292e+002 8.0059e-002 -8.7380e+004 -1.7349e+002 2.4625e+006
-#       -Range: 0-300
-
-# Hexanal, CH3(CH2)4CHO
-      + 2.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)4CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -623.3863
-        -delta_h +72.650 kcal/mol
-        -analytic -3.3617e+001 -1.0435e-002 -4.8410e+003 1.1629e+001 -7.5530e+001
-#       -Range: 0-300
-
-# Hexanoate, C5H11COO-
-      + 3.0000 CH3COOH  =  C5H11COO-  + 2.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8599
-        -delta_h +139.870 kcal/mol
-        -analytic -2.1318e+002 -2.9283e-002 -3.6871e+004 7.6955e+001 -5.7527e+002
-#       -Range: 0-300
-
-# Hexanoic_acid, C5H11COOH
-        + 3.0000 CH3COOH  =  C5H11COOH  + 2.0000 O2
-        -llnl_gamma           3.0
-        log_k    -576.2928
-        -delta_h +139.290 kcal/mol
-        -analytic 1.1076e+002 2.5510e-002 -5.4376e+004 -3.9703e+001 1.0632e+006
-#       -Range: 0-300
-
-# Isoleucine, C6H13NO2
-    + 3.0000 C2H5NO2 + 2.0000 H2O  =  C6H13NO2  + 3.0000 O2  + 2.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +0.1466
-        -delta_h +150.900 kcal/mol
-        -analytic -2.8273e+002 -1.9351e-003 -5.4209e+004 1.0027e+002 -8.4579e+002
-#       -Range: 0-300
-
-# K(But), K(CH3(CH2)2CO2)
-      + 1.0000 K+ + 1.0000 C3H7COOH  =  K(CH3(CH2)2CO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8078
-        -delta_h +187.401 kcal/mol
-        -analytic 1.3634e+001 -2.1745e-003 -3.9995e+003 -3.9841e+000 4.8796e+005
-#       -Range: 0-300
-
-# K(But)2-, K(CH3(CH2)2CO2)2-
-      + 2.0000 C3H7COOH + 1.0000 K+  =  K(CH3(CH2)2CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.9359
-        -delta_h +316.310 kcal/mol
-        -analytic 5.5776e+001 -3.5589e-003 -1.2872e+004 -1.6024e+001 1.6171e+006
-#       -Range: 0-300
-
-# K(For), K(CHO2)
-      + 1.0000 K+ + 1.0000 HCOOH  =  K(CHO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.7229
-        -delta_h +161.151 kcal/mol
-        -analytic -2.4221e+000 -7.5713e-003 -6.7114e+002 1.2963e+000 -1.0472e+001
-#       -Range: 0-300
-
-# K(For)2-, K(CHO2)2-
-      + 2.0000 HCOOH + 1.0000 K+  =  K(CHO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7757
-        -delta_h +264.561 kcal/mol
-        -analytic -1.0611e+002 -3.9682e-002 2.1061e+003 4.1665e+001 3.2895e+001
-#       -Range: 0-300
-
-# K(Glyc), K(CH3OCO2)
-      + 1.0000 K+ + 1.0000 C2H4O3  =  K(CH3OCO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.8036
-        -delta_h +214.171 kcal/mol
-        -analytic 2.8123e+001 -1.9061e-003 -3.6027e+003 -9.1691e+000 3.0378e+005
-#       -Range: 0-300
-
-# K(Glyc)2-, K(CH3OCO2)2-
-      + 2.0000 C2H4O3 + 1.0000 K+  =  K(CH3OCO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7471
-        -delta_h +370.519 kcal/mol
-        -analytic -2.2646e+002 -4.8542e-002 6.8259e+003 8.4988e+001 1.0658e+002
-#       -Range: 0-300
-
-# K(Lac), K(CH3CH2OCO2)
-      + 1.0000 C3H6O3 + 1.0000 K+  =  K(CH3CH2OCO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.8329
-        -delta_h +223.541 kcal/mol
-        -analytic 1.4972e+001 -3.2999e-003 -3.4489e+003 -4.1956e+000 3.6756e+005
-#       -Range: 0-300
-
-# K(Lac)2-, K(CH3CH2OCO2)2-
-      + 2.0000 C3H6O3 + 1.0000 K+  =  K(CH3CH2OCO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7955
-        -delta_h +388.842 kcal/mol
-        -analytic 3.7819e+001 -9.5803e-003 -1.0074e+004 -9.1771e+000 1.2221e+006
-#       -Range: 0-300
-
-# K(Pent), K(CH3(CH2)3CO2)
-      + 1.0000 C4H9COOH + 1.0000 K+  =  K(CH3(CH2)3CO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8371
-        -delta_h +193.881 kcal/mol
-        -analytic 1.1271e+001 -4.4936e-004 -5.4272e+003 -2.5193e+000 7.5365e+005
-#       -Range: 0-300
-
-# K(Pent)2-, K(CH3(CH2)3CO2)2-
-      + 2.0000 C4H9COOH + 1.0000 K+  =  K(CH3(CH2)3CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.0041
-        -delta_h +328.765 kcal/mol
-        -analytic 7.8715e+000 -1.1792e-003 -1.3479e+004 1.7870e+000 2.0708e+006
-#       -Range: 0-300
-
-# K(Prop), KCH3CH2CO2
-      + 1.0000 C2H5COOH + 1.0000 K+  =  KCH3CH2CO2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8664
-        -delta_h +182.101 kcal/mol
-        -analytic 1.1437e+001 -2.2439e-003 -3.4860e+003 -3.4282e+000 4.0460e+005
-#       -Range: 0-300
-
-# K(Prop)2-, K(CH3CH2CO2)2-
-      + 2.0000 C2H5COOH + 1.0000 K+  =  K(CH3CH2CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.0429
-        -delta_h +306.125 kcal/mol
-        -analytic 3.7431e+001 -9.1342e-003 -1.1368e+004 -9.1819e+000 1.4324e+006
-#       -Range: 0-300
-
-# La(But)+2, La(CH3(CH2)2CO2)+2
-      + 1.0000 La+3 + 1.0000 C3H7COOH  =  La(CH3(CH2)2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.2078
-        -delta_h +300.593 kcal/mol
-        -analytic -1.2213e+001 7.6865e-004 -2.3803e+003 4.5583e+000 5.7748e+005
-#       -Range: 0-300
-
-# La(But)2+, La(CH3(CH2)2CO2)2+
-      + 2.0000 C3H7COOH + 1.0000 La+3  =  La(CH3(CH2)2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.1758
-        -delta_h +430.176 kcal/mol
-        -analytic -2.7187e+001 3.6155e-003 -5.1320e+003 9.9375e+000 1.2081e+006
-#       -Range: 0-300
-
-# La(For)+2, La(CHO2)+2
-      + 1.0000 La+3 + 1.0000 HCOOH  =  La(CHO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.123
-        -delta_h +274.343 kcal/mol
-        -analytic 2.4425e+000 -1.1728e-003 -9.7383e+002 -9.4604e-001 2.1308e+005
-#       -Range: 0-300
-
-# La(For)2+, La(CHO2)2+
-      + 2.0000 HCOOH + 1.0000 La+3  =  La(CHO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0163
-        -delta_h +378.757 kcal/mol
-        -analytic 1.4193e+001 -2.4396e-003 -1.1566e+003 -6.0653e+000 2.1470e+005
-#       -Range: 0-300
-
-# La(Pent)+2, La(CH3(CH2)3CO2)+2
-      + 1.0000 C4H9COOH + 1.0000 La+3  =  La(CH3(CH2)3CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.2371
-        -delta_h +307.073 kcal/mol
-        -analytic -2.4830e+001 1.6328e-003 -3.1022e+003 9.5351e+000 7.9458e+005
-#       -Range: 0-300
-
-# La(Pent)2+, La(CH3(CH2)3CO2)2+
-      + 2.0000 C4H9COOH + 1.0000 La+3  =  La(CH3(CH2)3CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2447
-        -delta_h +442.418 kcal/mol
-        -analytic -4.1413e+001 9.3380e-003 -8.0438e+003 1.6147e+001 1.8186e+006
-#       -Range: 0-300
-
-# La(Prop)+2, La(CH3CH2CO2)+2
-      + 1.0000 C2H5COOH + 1.0000 La+3  =  La(CH3CH2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3764
-        -delta_h +295.142 kcal/mol
-        -analytic -8.7100e+000 9.9977e-004 -2.3370e+003 3.2191e+000 5.2671e+005
-#       -Range: 0-300
-
-# La(Prop)2+, La(CH3CH2CO2)2+
-      + 2.0000 C2H5COOH + 1.0000 La+3  =  La(CH3CH2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.4829
-        -delta_h +419.891 kcal/mol
-        -analytic -1.7985e+001 3.2712e-003 -4.8213e+003 6.3648e+000 1.0652e+006
-#       -Range: 0-300
-
-# Lactate, C3H5O3-
-        + 1.0000 C3H6O3  =  C3H5O3-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -3.8629
-        -delta_h +164.070 kcal/mol
-        -analytic -8.2814e+001 -3.2149e-002 1.5440e+003 3.3680e+001 2.4117e+001
-#       -Range: 0-300
-
-# Lactic_acid, C3H6O3
-      + 3.0000 HCO3- + 3.0000 H+  =  C3H6O3  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -223.4996
-        -delta_h +164.000 kcal/mol
-        -analytic -1.9621E+03 -3.2360E-01 -5.5305E+02 7.4225E+02 -2.0548E-01
-#       -Range: 0-300
-
-# Leucine, C6H13NO2
-    + 3.0000 C2H5NO2 + 2.0000 H2O  =  C6H13NO2  + 3.0000 O2  + 2.0000 NH3
-        -llnl_gamma           3.0
-        log_k    -541.723
-        -delta_h +151.070 kcal/mol
-        -analytic 2.4561e+002 6.5239e-002 -8.6593e+004 -8.7114e+001 2.1100e+006
-#       -Range: 0-300
-
-# Leucylglycine, C8H16N2O3
-    + 4.0000 C2H5NO2 + 1.0000 H2O  =  C8H16N2O3  + 3.0000 O2  + 2.0000 NH3
-        -llnl_gamma           3.0
-        log_k    -652.321
-        -delta_h +202.660 kcal/mol
-        -analytic -3.3759e+002 -5.6274e-003 -5.2689e+004 1.1979e+002 -8.2207e+002
-#       -Range: 0-300
-
-# Malonate, C3H2O4-2
-    + 1.5000 CH3COOH + 1.0000 O2  =  C3H2O4-2  + 2.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -2.8513
-        -delta_h +207.850 kcal/mol
-        -analytic -9.9824e+001 -7.7578e-002 2.0986e+004 4.5594e+001 3.2750e+002
-#       -Range: 0-300
-
-# Malonic_acid, C3H4O4
-    + 3.0000 HCO3- + 3.0000 H+  =  C3H4O4  + 2.0000 O2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -144.1431
-        -delta_h +207.870 kcal/mol
-        -analytic -1.2631E+03 -1.9613E-01 -5.2873E+02 4.7649E+02 -3.1921E-02
-#       -Range: 0-300
-
-# Methanamine, CH3NH2
-        + 0.5000 NH3 + 0.5000 C2H5NH2 =  CH3NH2
-        -llnl_gamma           3.0
-        log_k    -3.7248
-        -delta_h +16.320 kcal/mol
-        -analytic 3.6212e+000 9.9672e-004 -1.2549e+003 -1.3879e+000 -1.9583e+001
-#       -Range: 0-300
-
-# Methanol, CH3OH
-        + 0.5000 H2O + 0.5000 C2H5OH  =  CH3OH
-        -llnl_gamma           3.0
-        log_k    -5.8339
-        -delta_h +58.870 kcal/mol
-        -analytic 1.0292e+001 2.0369e-003 -2.3980e+003 -3.5121e+000 -3.7422e+001
-#       -Range: 0-300
-
-# Methionine, C5H11NO2S
-2.5000 C2H5NO2 + 1.0000 HS- + 1.0000 H+ + 0.5000 H2O  =  C5H11NO2S  + 1.7500 O2  + 1.5000 NH3
-        -llnl_gamma           3.0
-        log_k    -499.7659
-        -delta_h +177.600 kcal/mol
-        -analytic -8.0509e+001 3.4730e-002 -2.3107e+004 2.2907e+001 -3.6054e+002
-#       -Range: 0-300
-
-# Mg(Ala)+, Mg(C3H6NO2)+
-      + 1.0000 Mg+2 + 1.0000 C3H7NO2  =  Mg(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.4047
-        -delta_h +231.745 kcal/mol
-        -analytic 3.2275e+000 3.8767e-003 -5.7267e+003 1.9424e-001 5.2913e+005
-#       -Range: 0-300
-
-# Mg(Ala)2, Mg(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Mg+2  =  Mg(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -17.4998
-        -delta_h +352.641 kcal/mol
-        -analytic -2.6461e+000 5.2729e-003 -1.2622e+004 4.5793e+000 1.2982e+006
-#       -Range: 0-300
-
-# Mg(But)+, Mg(CH3(CH2)2CO2)+
-      + 1.0000 Mg+2 + 1.0000 C3H7COOH  =  Mg(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.2778
-        -delta_h +240.741 kcal/mol
-        -analytic -2.1041e+000 1.4633e-003 -3.1485e+003 6.1810e-001 5.7229e+005
-#       -Range: 0-300
-
-# Mg(But)2, Mg(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.9654
-        -delta_h +370.578 kcal/mol
-        -analytic -2.8906e+001 1.7817e-003 -6.7997e+003 1.0694e+001 1.4036e+006
-#       -Range: 0-300
-
-# Mg(For)+, Mg(CHO2)+
-      + 1.0000 Mg+2 + 1.0000 HCOOH  =  Mg(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3229
-        -delta_h +215.678 kcal/mol
-        -analytic -3.9514e+000 -2.8298e-003 -5.6302e+002 1.0614e+000 1.5474e+005
-#       -Range: 0-300
-
-# Mg(For)2, Mg(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Mg+2  =  Mg(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2058
-        -delta_h +321.177 kcal/mol
-        -analytic -1.9131e+001 -6.0693e-003 4.0785e+001 5.2661e+000 2.2927e+005
-#       -Range: 0-300
-
-# Mg(Gly)+, Mg(C2H4NO2)+
-      + 1.0000 Mg+2 + 1.0000 C2H5NO2  =  Mg(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.328
-        -delta_h +225.174 kcal/mol
-        -analytic 2.0689e+001 7.1872e-003 -4.9739e+003 -6.9062e+000 4.1092e+005
-#       -Range: 0-300
-
-# Mg(Gly)2, Mg(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Mg+2  =  Mg(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -13.0966
-        -delta_h +340.003 kcal/mol
-        -analytic -2.1284e+000 6.2771e-003 -8.3120e+003 2.3697e+000 8.1724e+005
-#       -Range: 0-300
-
-# Mg(Glyc)+, Mg(CH3OCO2)+
-      + 1.0000 Mg+2 + 1.0000 C2H4O3  =  Mg(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.5039
-        -delta_h +266.450 kcal/mol
-        -analytic 4.1719e+000 4.8995e-004 -2.4071e+003 -1.0943e+000 3.5295e+005
-#       -Range: 0-300
-
-# Mg(Glyc)2, Mg(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Mg+2  =  Mg(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3671
-        -delta_h +424.040 kcal/mol
-        -analytic 1.1456e+001 1.9693e-003 -5.4799e+003 -3.5701e+000 8.7339e+005
-#       -Range: 0-300
-
-# Mg(Lac)+, Mg(CH3CH2OCO2)+
-      + 1.0000 Mg+2 + 1.0000 C3H6O3  =  Mg(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.493
-        -delta_h +274.593 kcal/mol
-        -analytic -5.8138e+000 4.6550e-004 -2.3971e+003 2.7483e+000 3.9437e+005
-#       -Range: 0-300
-
-# Mg(Lac)2, Mg(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Mg+2  =  Mg(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3356
-        -delta_h +440.700 kcal/mol
-        -analytic -9.2240e+000 7.2412e-004 -6.4088e+003 5.1184e+000 1.1140e+006
-#       -Range: 0-300
-
-# Mg(Pent)+, Mg(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.5571
-        -delta_h +246.880 kcal/mol
-        -analytic -2.6885e+001 6.6381e-004 -3.2502e+003 9.9565e+000 7.4821e+005
-#       -Range: 0-300
-
-# Mg(Pent)2, Mg(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.4844
-        -delta_h +382.313 kcal/mol
-        -analytic -3.1213e+001 7.2244e-003 -1.0963e+004 1.3204e+001 2.1088e+006
-#       -Range: 0-300
-
-# Mg(Prop)+, Mg(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Mg+2  =  Mg(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.1767
-        -delta_h +235.660 kcal/mol
-        -analytic -1.5671e+001 -6.7187e-004 -2.0570e+003 5.4098e+000 4.6452e+005
-#       -Range: 0-300
-
-# Mg(Prop)2, Mg(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Mg+2  =  Mg(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.7726
-        -delta_h +360.889 kcal/mol
-        -analytic -1.3652e+001 3.8826e-003 -6.2937e+003 4.4524e+000 1.2312e+006
-#       -Range: 0-300
-
-# Mn(Ala)+, Mn(C3H6NO2)+
-      + 1.0000 Mn+2 + 1.0000 C3H7NO2  =  Mn(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.1248
-        -delta_h +173.180 kcal/mol
-        -analytic -6.0922e+000 5.5095e-003 -4.5521e+003 3.1202e+000 4.3437e+005
-#       -Range: 0-300
-
-# Mn(Ala)2, Mn(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Mn+2  =  Mn(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -14.6792
-        -delta_h +294.245 kcal/mol
-        -analytic -5.0476e-001 5.7769e-003 -1.2737e+004 4.7857e+000 1.3339e+006
-#       -Range: 0-300
-
-# Mn(But)+, Mn(CH3(CH2)2CO2)+
-      + 1.0000 Mn+2 + 1.0000 C3H7COOH  =  Mn(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.6079
-        -delta_h +181.344 kcal/mol
-        -analytic -1.6910e+001 1.9388e-003 -1.9552e+003 5.6484e+000 4.7316e+005
-#       -Range: 0-300
-
-# Mn(But)2, Mn(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7354
-        -delta_h +310.012 kcal/mol
-        -analytic -1.8458e+001 3.5123e-003 -7.8343e+003 7.8894e+000 1.4636e+006
-#       -Range: 0-300
-
-# Mn(For)+, Mn(CHO2)+
-      + 1.0000 Mn+2 + 1.0000 HCOOH  =  Mn(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.0532
-        -delta_h +155.735 kcal/mol
-        -analytic -5.7235e+000 -8.3722e-004 -3.0900e+002 1.5086e+000 1.0934e+005
-#       -Range: 0-300
-
-# Mn(For)2, Mn(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Mn+2  =  Mn(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.7162
-        -delta_h +259.601 kcal/mol
-        -analytic 1.2827e+001 -1.4127e-003 -2.4571e+003 -5.2411e+000 3.6438e+005
-#       -Range: 0-300
-
-# Mn(Gly)+, Mn(C2H4NO2)+
-      + 1.0000 Mn+2 + 1.0000 C2H5NO2  =  Mn(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.1184
-        -delta_h +165.803 kcal/mol
-        -analytic 1.2891e+001 8.7151e-003 -4.1826e+003 -4.5776e+000 3.3412e+005
-#       -Range: 0-300
-
-# Mn(Gly)2, Mn(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Mn+2  =  Mn(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -12.9266
-        -delta_h +278.847 kcal/mol
-        -analytic -8.9549e+000 5.6683e-003 -8.5407e+003 5.5548e+000 8.2286e+005
-#       -Range: 0-300
-
-# Mn(Glyc)+, Mn(CH3OCO2)+
-      + 1.0000 Mn+2 + 1.0000 C2H4O3  =  Mn(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.2518
-        -delta_h +208.594 kcal/mol
-        -analytic -7.3237e+000 7.7086e-004 -1.3628e+003 2.4657e+000 2.9532e+005
-#       -Range: 0-300
-
-# Mn(Glyc)2, Mn(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Mn+2  =  Mn(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2373
-        -delta_h +364.736 kcal/mol
-        -analytic -1.7505e+001 -1.6628e-003 -4.1763e+003 7.1162e+000 8.1623e+005
-#       -Range: 0-300
-
-# Mn(Lac)+, Mn(CH3CH2OCO2)+
-      + 1.0000 Mn+2 + 1.0000 C3H6O3  =  Mn(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.4328
-        -delta_h +217.756 kcal/mol
-        -analytic -1.6464e+001 7.1558e-004 -1.2885e+003 5.7494e+000 3.4911e+005
-#       -Range: 0-300
-
-# Mn(Lac)2, Mn(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Mn+2  =  Mn(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2256
-        -delta_h +383.047 kcal/mol
-        -analytic -1.8030e+001 1.4926e-004 -5.9277e+003 8.0913e+000 1.1243e+006
-#       -Range: 0-300
-
-# Mn(Pent)+, Mn(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.7669
-        -delta_h +187.646 kcal/mol
-        -analytic -3.1330e+001 2.7885e-003 -2.5476e+003 1.1193e+001 6.7589e+005
-#       -Range: 0-300
-
-# Mn(Pent)2, Mn(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.044
-        -delta_h +322.033 kcal/mol
-        -analytic -2.1011e+001 8.8159e-003 -1.1958e+004 1.0527e+001 2.1730e+006
-#       -Range: 0-300
-
-# Mn(Prop)+, Mn(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Mn+2  =  Mn(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.6167
-        -delta_h +176.112 kcal/mol
-        -analytic -5.3912e+000 3.1110e-003 -2.3654e+003 1.4872e+000 4.5498e+005
-#       -Range: 0-300
-
-# Mn(Prop)2, Mn(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Mn+2  =  Mn(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.753
-        -delta_h +300.037 kcal/mol
-        -analytic -5.4193e+000 5.1920e-003 -7.3047e+003 2.4858e+000 1.2892e+006
-#       -Range: 0-300
-
-# Na(But), Na(CH3(CH2)2CO2)
-      + 1.0000 Na+ + 1.0000 C3H7COOH  =  Na(CH3(CH2)2CO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.788
-        -delta_h +185.529 kcal/mol
-        -analytic 1.1463e+001 -1.9756e-003 -3.8987e+003 -3.3969e+000 5.1852e+005
-#       -Range: 0-300
-
-# Na(But)2-, Na(CH3(CH2)2CO2)2-
-      + 2.0000 C3H7COOH + 1.0000 Na+  =  Na(CH3(CH2)2CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.8956
-        -delta_h +315.475 kcal/mol
-        -analytic 2.9605e+001 -9.5353e-003 -1.2859e+004 -5.5837e+000 1.8051e+006
-#       -Range: 0-300
-
-# Na(For), Na(CHO2)
-      + 1.0000 Na+ + 1.0000 HCOOH  =  Na(CHO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.7031
-        -delta_h +159.279 kcal/mol
-        -analytic 1.9556e+001 -4.0171e-003 -1.9403e+003 -6.7907e+000 1.1139e+005
-#       -Range: 0-300
-
-# Na(For)2-, Na(CHO2)2-
-      + 2.0000 HCOOH + 1.0000 Na+  =  Na(CHO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7362
-        -delta_h +263.725 kcal/mol
-        -analytic -1.6907e+002 -4.9200e-002 4.7499e+003 6.4687e+001 7.4168e+001
-#       -Range: 0-300
-
-# Na(Glyc), Na(CH3OCO2)
-      + 1.0000 Na+ + 1.0000 C2H4O3  =  Na(CH3OCO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.7838
-        -delta_h +212.299 kcal/mol
-        -analytic 6.5651e+000 -4.5298e-003 -2.4464e+003 -1.5701e+000 2.7550e+005
-#       -Range: 0-300
-
-# Na(Glyc)2-, Na(CH3OCO2)2-
-      + 2.0000 C2H4O3 + 1.0000 Na+  =  Na(CH3OCO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7076
-        -delta_h +369.684 kcal/mol
-        -analytic -2.9181e+002 -5.8674e-002 9.4836e+003 1.0904e+002 1.4807e+002
-#       -Range: 0-300
-
-# Na(Lac), Na(CH3CH2OCO2)
-      + 1.0000 Na+ + 1.0000 C3H6O3  =  Na(CH3CH2OCO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.8131
-        -delta_h +221.669 kcal/mol
-        -analytic -8.9871e+000 -6.2002e-003 -2.1368e+003 4.2449e+000 3.2856e+005
-#       -Range: 0-300
-
-# Na(Lac)2-, Na(CH3CH2OCO2)2-
-      + 2.0000 C3H6O3 + 1.0000 Na+  =  Na(CH3CH2OCO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.7559
-        -delta_h +388.006 kcal/mol
-        -analytic 5.9524e+001 -8.7468e-003 -1.2721e+004 -1.5993e+001 1.5628e+006
-#       -Range: 0-300
-
-# Na(Pent), Na(CH3(CH2)3CO2)
-      + 1.0000 C4H9COOH + 1.0000 Na+  =  Na(CH3(CH2)3CO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8173
-        -delta_h +192.009 kcal/mol
-        -analytic 8.1540e+000 -4.2441e-004 -5.2875e+003 -1.5765e+000 7.8307e+005
-#       -Range: 0-300
-
-# Na(Pent)2-, Na(CH3(CH2)3CO2)2-
-      + 2.0000 C4H9COOH + 1.0000 Na+  =  Na(CH3(CH2)3CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.9645
-        -delta_h +327.929 kcal/mol
-        -analytic 3.8577e+001 7.5820e-004 -1.6661e+004 -8.2211e+000 2.4438e+006
-#       -Range: 0-300
-
-# Na(Prop), Na(CH3CH2CO2)
-      + 1.0000 C2H5COOH + 1.0000 Na+  =  Na(CH3CH2CO2)  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.8466
-        -delta_h +180.229 kcal/mol
-        -analytic 1.7028e+000 -3.1352e-003 -2.9697e+003 -1.0967e-001 4.1170e+005
-#       -Range: 0-300
-
-# Na(Prop)2-, Na(CH3CH2CO2)2-
-      + 2.0000 C2H5COOH + 1.0000 Na+  =  Na(CH3CH2CO2)2-  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.0026
-        -delta_h +305.289 kcal/mol
-        -analytic 6.6077e+001 -6.9347e-003 -1.4292e+004 -1.8630e+001 1.7811e+006
-#       -Range: 0-300
-
-# Ni(Ala)+, Ni(C3H6NO2)+
-      + 1.0000 Ni+2 + 1.0000 C3H7NO2  =  Ni(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.5249
-        -delta_h +137.131 kcal/mol
-        -analytic 1.1604e+000 4.6374e-003 -4.1009e+003 7.4132e-001 4.3245e+005
-#       -Range: 0-300
-
-# Ni(Ala)2, Ni(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Ni+2  =  Ni(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.2291
-        -delta_h +262.972 kcal/mol
-        -analytic 3.1888e+001 9.4817e-003 -1.1655e+004 -8.0444e+000 1.2513e+006
-#       -Range: 0-300
-
-# Ni(But)+, Ni(CH3(CH2)2CO2)+
-      + 1.0000 Ni+2 + 1.0000 C3H7COOH  =  Ni(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0676
-        -delta_h +143.687 kcal/mol
-        -analytic -1.1210e+001 7.7237e-004 -1.8584e+003 3.5695e+000 4.7362e+005
-#       -Range: 0-300
-
-# Ni(But)2, Ni(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.7459
-        -delta_h +274.625 kcal/mol
-        -analytic -3.4716e+000 4.8213e-003 -6.7033e+003 1.1666e+000 1.3261e+006
-#       -Range: 0-300
-
-# Ni(For)+, Ni(CHO2)+
-      + 1.0000 Ni+2 + 1.0000 HCOOH  =  Ni(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.8831
-        -delta_h +117.573 kcal/mol
-        -analytic -4.4750e-001 -1.7720e-003 -2.1850e+002 -5.1560e-001 9.8346e+004
-#       -Range: 0-300
-
-# Ni(For)2, Ni(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Ni+2  =  Ni(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.4061
-        -delta_h +223.287 kcal/mol
-        -analytic -1.1886e+001 -5.7362e-003 6.8286e+002 2.3397e+000 9.9533e+004
-#       -Range: 0-300
-
-# Ni(Gly)+, Ni(C2H4NO2)+
-      + 1.0000 Ni+2 + 1.0000 C2H5NO2  =  Ni(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.6482
-        -delta_h +129.289 kcal/mol
-        -analytic -4.6499e+000 4.5579e-003 -2.3704e+003 1.9662e+000 2.4331e+005
-#       -Range: 0-300
-
-# Ni(Gly)2, Ni(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Ni+2  =  Ni(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.5065
-        -delta_h +246.055 kcal/mol
-        -analytic 7.2186e-001 5.9661e-003 -6.4762e+003 1.3110e+000 6.6544e+005
-#       -Range: 0-300
-
-# Ni(Glyc)+, Ni(CH3OCO2)+
-      + 1.0000 Ni+2 + 1.0000 C2H4O3  =  Ni(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.5738
-        -delta_h +171.125 kcal/mol
-        -analytic -1.0297e+000 -1.2447e-004 -1.2044e+003 1.0906e-001 2.9085e+005
-#       -Range: 0-300
-
-# Ni(Glyc)2, Ni(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Ni+2  =  Ni(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.657
-        -delta_h +330.154 kcal/mol
-        -analytic -1.0354e+001 -1.4250e-003 -2.4189e+003 3.2017e+000 6.5173e+005
-#       -Range: 0-300
-
-# Ni(Lac)+, Ni(CH3CH2OCO2)+
-      + 1.0000 Ni+2 + 1.0000 C3H6O3  =  Ni(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.2731
-        -delta_h +179.581 kcal/mol
-        -analytic -5.3952e+000 3.0639e-004 -1.6023e+003 1.7361e+000 3.6640e+005
-#       -Range: 0-300
-
-# Ni(Lac)2, Ni(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Ni+2  =  Ni(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.7961
-        -delta_h +346.896 kcal/mol
-        -analytic 1.3452e+001 3.7748e-003 -5.8913e+003 -4.5655e+000 1.0409e+006
-#       -Range: 0-300
-
-# Ni(Pent)+, Ni(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.127
-        -delta_h +150.126 kcal/mol
-        -analytic -1.8027e+001 2.5673e-003 -2.8802e+003 6.4190e+000 7.0514e+005
-#       -Range: 0-300
-
-# Ni(Pent)2, Ni(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.8741
-        -delta_h +286.892 kcal/mol
-        -analytic -1.4118e+001 9.0210e-003 -1.0307e+004 6.7035e+000 2.0075e+006
-#       -Range: 0-300
-
-# Ni(Prop)+, Ni(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Ni+2  =  Ni(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.4561
-        -delta_h +137.936 kcal/mol
-        -analytic -7.2594e+000 1.0617e-003 -1.9069e+003 2.0708e+000 4.2443e+005
-#       -Range: 0-300
-
-# Ni(Prop)2, Ni(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Ni+2  =  Ni(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.4532
-        -delta_h +263.708 kcal/mol
-        -analytic -3.7965e+001 -1.2697e-004 -3.6918e+003 1.2846e+001 9.9382e+005
-#       -Range: 0-300
-
-# Nonanal, CH3(CH2)7CHO
-      + 3.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)7CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -949.8594
-        -delta_h +89.060 kcal/mol
-        -analytic -6.6011e+001 -2.4799e-002 1.8885e+003 2.3966e+001 2.9487e+001
-#       -Range: 0-300
-
-# Nonanoate, C9H17O2-
-      + 4.5000 CH3COOH  =  C9H17O2-  + 3.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.728
-        -delta_h +156.990 kcal/mol
-        -analytic -2.9242e+002 -2.3233e-002 -6.6303e+004 1.0260e+002 -1.0345e+003
-#       -Range: 0-300
-
-# Nonanoic_acid, C9H18O2
-        + 4.5000 CH3COOH  =  C9H18O2  + 3.5000 O2
-        -llnl_gamma           3.0
-        log_k    -902.1429
-        -delta_h +156.530 kcal/mol
-        -analytic 7.6545e+002 1.2327e-001 -1.2782e+005 -2.7455e+002 3.7974e+006
-#       -Range: 0-300
-
-# Octanal, CH3(CH2)6CHO
-      + 3.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)6CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -841.0644
-        -delta_h +83.550 kcal/mol
-        -analytic -5.5236e+001 -2.0015e-002 -3.6255e+002 1.9863e+001 -5.6412e+000
-#       -Range: 0-300
-
-# Octanoate, C7H15COO-
-      + 4.0000 CH3COOH  =  C7H15COO-  + 3.0000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8965
-        -delta_h +151.580 kcal/mol
-        -analytic -2.6026e+002 -2.5391e-002 -5.6736e+004 9.2101e+001 -8.8524e+002
-#       -Range: 0-300
-
-# Octanoic_acid, C7H15COOH
-        + 4.0000 CH3COOH  =  C7H15COOH  + 3.0000 O2
-        -llnl_gamma           3.0
-        log_k    -793.3332
-        -delta_h +151.050 kcal/mol
-        -analytic -1.9247e+001 1.0829e-002 -7.1544e+004 7.6349e+000 1.0441e+006
-#       -Range: 0-300
-
-# Oxalate, C2O4-2
-    + 1.5000 O2 + 1.0000 CH3COOH  =  C2O4-2  + 2.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -1.2703
-        -delta_h +195.600 kcal/mol
-        -analytic -6.1367e+001 -6.7813e-002 2.9725e+004 3.0857e+001 4.6385e+002
-#       -Range: 0-300
-
-# Oxalic_acid, C2H2O4
-    + 2.0000 HCO3- + 2.0000 H+  =  C2H2O4  + 0.5000 O2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -41.9377
-        -delta_h +194.580 kcal/mol
-        -analytic -3.4531E+02 -3.8017E-02 -4.9420E+02 1.2783E+02 3.4954E-01
-#       -Range: 0-300
-
-# Pb(Ala)+, Pb(C3H6NO2)+
-      + 1.0000 Pb+2 + 1.0000 C3H7NO2  =  Pb(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3649
-        -delta_h +120.275 kcal/mol
-        -analytic -2.6624e+001 4.7189e-003 -2.0605e+003 9.9803e+000 1.8534e+005
-#       -Range: 0-300
-
-# Pb(Ala)2, Pb(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Pb+2  =  Pb(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -12.4897
-        -delta_h +239.191 kcal/mol
-        -analytic -9.5305e+000 7.6294e-006 -1.1822e+004 9.6291e+000 1.1454e+006
-#       -Range: 0-300
-
-# Pb(But)+, Pb(CH3(CH2)2CO2)+
-      + 1.0000 Pb+2 + 1.0000 C3H7COOH  =  Pb(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0075
-        -delta_h +126.856 kcal/mol
-        -analytic -2.1474e+001 2.8958e-003 -8.4396e+002 6.9308e+000 2.9372e+005
-#       -Range: 0-300
-
-# Pb(But)2, Pb(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.6359
-        -delta_h +253.472 kcal/mol
-        -analytic 2.0254e+001 4.4997e-003 -9.9101e+003 -4.4607e+000 1.4291e+006
-#       -Range: 0-300
-
-# Pb(For)+, Pb(CHO2)+
-      + 1.0000 Pb+2 + 1.0000 HCOOH  =  Pb(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.8633
-        -delta_h +100.688 kcal/mol
-        -analytic 6.0621e+000 1.9339e-003 -3.7110e+002 -2.9296e+000 -5.7925e+000
-#       -Range: 0-300
-
-# Pb(For)2, Pb(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Pb+2  =  Pb(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.3658
-        -delta_h +202.038 kcal/mol
-        -analytic 2.6259e+001 -4.0425e-003 -3.3586e+003 -8.4717e+000 2.5027e+005
-#       -Range: 0-300
-
-# Pb(Gly)+, Pb(C2H4NO2)+
-      + 1.0000 Pb+2 + 1.0000 C2H5NO2  =  Pb(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.3086
-        -delta_h +112.312 kcal/mol
-        -analytic -1.8673e+001 6.5915e-003 -1.1000e+003 6.3328e+000 3.8522e+004
-#       -Range: 0-300
-
-# Pb(Gly)2, Pb(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Pb+2  =  Pb(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.6968
-        -delta_h +222.992 kcal/mol
-        -analytic 8.2909e+000 3.4522e-003 -9.2596e+003 1.1906e+000 7.2077e+005
-#       -Range: 0-300
-
-# Pb(Glyc)+, Pb(CH3OCO2)+
-      + 1.0000 Pb+2 + 1.0000 C2H4O3  =  Pb(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.5335
-        -delta_h +154.267 kcal/mol
-        -analytic -1.4773e+001 6.3698e-004 -2.3399e+002 5.0111e+000 1.2864e+005
-#       -Range: 0-300
-
-# Pb(Glyc)2, Pb(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Pb+2  =  Pb(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.5873
-        -delta_h +308.946 kcal/mol
-        -analytic 1.1096e+001 -3.0559e-003 -5.7676e+003 -1.2814e+000 7.7865e+005
-#       -Range: 0-300
-
-# Pb(Lac)+, Pb(CH3CH2OCO2)+
-      + 1.0000 Pb+2 + 1.0000 C3H6O3  =  Pb(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.5833
-        -delta_h +163.610 kcal/mol
-        -analytic -1.3871e+001 2.6871e-003 -5.0054e+002 4.4527e+000 1.9242e+005
-#       -Range: 0-300
-
-# Pb(Lac)2, Pb(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Pb+2  =  Pb(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.676
-        -delta_h +327.120 kcal/mol
-        -analytic -4.4899e+000 -2.4870e-003 -6.4849e+003 4.8300e+000 1.0115e+006
-#       -Range: 0-300
-
-# Pb(Pent)+, Pb(CH3(CH2)3CO2)+
-      + 1.0000 C4H9COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.0471
-        -delta_h +133.322 kcal/mol
-        -analytic -2.4746e+001 5.6511e-003 -1.9305e+003 8.3485e+000 5.2061e+005
-#       -Range: 0-300
-
-# Pb(Pent)2, Pb(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.7246
-        -delta_h +265.793 kcal/mol
-        -analytic -2.7005e+001 3.4894e-003 -1.1468e+004 1.4273e+001 1.9937e+006
-#       -Range: 0-300
-
-# Pb(Prop)+, Pb(CH3CH2CO2)+
-      + 1.0000 C2H5COOH + 1.0000 Pb+2  =  Pb(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.5567
-        -delta_h +122.252 kcal/mol
-        -analytic -1.6614e+001 2.8882e-003 -8.1215e+002 5.2485e+000 2.6253e+005
-#       -Range: 0-300
-
-# Pb(Prop)2, Pb(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Pb+2  =  Pb(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.1631
-        -delta_h +244.164 kcal/mol
-        -analytic -8.3280e+000 2.5204e-004 -6.9233e+003 5.1398e+000 1.1223e+006
-#       -Range: 0-300
-
-# Pentanal, CH3(CH2)3CHO
-      + 1.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)3CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -514.6206
-        -delta_h +67.100 kcal/mol
-        -analytic -2.2868e+001 -5.6572e-003 -7.1000e+003 7.5357e+000 -1.1078e+002
-#       -Range: 0-300
-
-# Pentanoate, C4H9COO-
-        + 1.0000 C4H9COOH  =  C4H9COO-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8452
-        -delta_h +134.380 kcal/mol
-        -analytic -7.1959e+001 -2.5255e-002 1.5595e+003 2.8045e+001 2.4355e+001
-#       -Range: 0-300
-
-# Pentanoic_acid, C4H9COOH
-      + 5.0000 HCO3- + 5.0000 H+  =  C4H9COOH  + 6.5000 O2
-        -llnl_gamma           3.0
-        log_k    -467.5638
-        -delta_h +133.690 kcal/mol
-        -analytic -4.1508E+03 -7.0450E-01 -6.2821E+02 1.5740E+03 -6.3823E-01
-#       -Range: 0-300
-
-# Phenol, C6H5OH
-    + 6.0000 HCO3- + 6.0000 H+  =  C6H5OH  + 7.0000 O2  + 3.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -503.3718
-        -delta_h +36.640 kcal/mol
-        -analytic -4.4638E+03 -7.4406E-01 -6.3959E+02 1.6908E+03 -7.2665E-01
-#       -Range: 0-300
-
-# Phenylalanine, C9H11NO2
-    + 4.5000 C2H5NO2  =  C9H11NO2  + 3.5000 NH3  + 3.2500 O2  + 0.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -715.0646
-        -delta_h +110.080 kcal/mol
-        -analytic 4.3141e+002 9.9794e-002 -1.0397e+005 -1.5181e+002 3.1041e+006
-#       -Range: 0-300
-
-# Pimelate, C7H10O4-2
-    + 3.5000 CH3COOH  =  C7H10O4-2  + 2.0000 H+  + 1.0000 H2O  + 1.0000 O2
-        -llnl_gamma           4.0
-        log_k    -4.486
-        -delta_h +234.040 kcal/mol
-        -analytic -1.8597e+002 -7.3478e-002 -1.8772e+004 7.3883e+001 -2.9286e+002
-#       -Range: 0-300
-
-# Pimelic_acid, C7H12O4
-      + 3.5000 CH3COOH  =  C7H12O4  + 1.0000 H2O  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    -575.0718
-        -delta_h +253.720 kcal/mol
-        -analytic -8.7817e+001 -1.7044e-002 -1.9448e+004 3.2348e+001 -3.0344e+002
-#       -Range: 0-300
-
-# Propanal, CH3CH2CHO
-      + 1.0000 CH3COOH + 0.5000 C2H4  =  CH3CH2CHO  + 0.5000 O2
-        -llnl_gamma           3.0
-        log_k    -296.0849
-        -delta_h +57.360 kcal/mol
-        -analytic -1.2713e+000 3.9198e-003 -1.1322e+004 -6.8971e-001 -1.7667e+002
-#       -Range: 0-300
-
-# Propane, C3H8
-      + 1.5000 C2H6 + 0.2500 O2  =  C3H8  + 0.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -363.0881
-        -delta_h +30.490 kcal/mol
-        -analytic -6.4646e+001 -1.3427e-002 9.8352e+003 2.3379e+001 -3.1351e+005
-#       -Range: 0-300
-
-#C7H8 from J.Thom
-        CH4 + C6H6 = C7H8 + H2
-	-llnl_gamma           3.0
-        log_k -7.82476
-        -analytic -6.78979e1 -1.31838e-2 -1.34773e0 2.58679e1 9.83945e-1
-#       -Range: 0-300
-
-# Propanoate, C2H5COO-
-        + 1.0000 C2H5COOH  =  C2H5COO-  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.8892
-        -delta_h +122.630 kcal/mol
-        -analytic -9.5201e+001 -3.2154e-002 2.0655e+003 3.7566e+001 3.2258e+001
-#       -Range: 0-300
-
-# C2H5COOH, C2H5COOH
-      + 3.0000 HCO3- + 3.0000 H+  =  C2H5COOH  + 3.5000 O2
-        -llnl_gamma           3.0
-        log_k    -250.1276
-        -delta_h +122.470 kcal/mol
-        -analytic -2.2143E+03 -3.6918E-01 -5.6115E+02 8.3892E+02 -1.6485E-01
-#       -Range: 0-300
-
-# Sebacate, C10H16O4-2
-    + 5.0000 CH3COOH  =  C10H16O4-2  + 2.5000 O2  + 2.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.5446
-        -delta_h +246.230 kcal/mol
-        -analytic -2.7931e+002 -6.9587e-002 -4.8910e+004 1.0481e+002 -7.6312e+002
-#       -Range: 0-300
-
-# Sebacic_acid, C10H18O4
-      + 5.0000 CH3COOH  =  C10H18O4  + 2.5000 O2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -904.7629
-        -delta_h +246.000 kcal/mol
-        -analytic -2.2715e+002 -2.7047e-002 -4.8330e+004 8.1858e+001 -7.5408e+002
-#       -Range: 0-300
-
-# Serine, C3H7NO3
-    + 1.5000 C2H5NO2 + 0.5000 H2O  =  C3H7NO3  + 0.5000 NH3  + 0.2500 O2
-        -llnl_gamma           3.0
-        log_k    -189.3549
-        -delta_h +170.800 kcal/mol
-        -analytic -3.4133e+001 -7.9911e-005 -6.6066e+003 1.1810e+001 -1.0308e+002
-#       -Range: 0-300
-
-# Sr(Ala)+, Sr(C3H6NO2)+
-      + 1.0000 Sr+2 + 1.0000 C3H7NO2  =  Sr(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.6244
-        -delta_h +247.624 kcal/mol
-        -analytic -1.5372e-001 6.3659e-003 -5.3387e+003 9.4940e-001 3.7366e+005
-#       -Range: 0-300
-
-# Sr(Ala)2, Sr(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Sr+2  =  Sr(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -19.7391
-        -delta_h +363.933 kcal/mol
-        -analytic 2.2701e+001 5.7649e-003 -1.5582e+004 -2.6780e+000 1.3116e+006
-#       -Range: 0-300
-
-# Sr(But)+, Sr(CH3(CH2)2CO2)+
-      + 1.0000 Sr+2 + 1.0000 C3H7COOH  =  Sr(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.6876
-        -delta_h +257.725 kcal/mol
-        -analytic 3.9063e+000 4.6099e-003 -3.2349e+003 -1.7801e+000 4.7152e+005
-#       -Range: 0-300
-
-# Sr(But)2, Sr(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Sr+2  =  Sr(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.716
-        -delta_h +383.903 kcal/mol
-        -analytic -7.5798e+000 1.7956e-003 -9.0604e+003 4.8509e+000 1.3997e+006
-#       -Range: 0-300
-
-# Sr(For)+, Sr(CHO2)+
-      + 1.0000 Sr+2 + 1.0000 HCOOH  =  Sr(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3632
-        -delta_h +233.167 kcal/mol
-        -analytic -7.7187e+000 -1.6025e-003 -1.4308e+002 2.3659e+000 4.1368e+004
-#       -Range: 0-300
-
-# Sr(For)2, Sr(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Sr+2  =  Sr(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.2857
-        -delta_h +335.415 kcal/mol
-        -analytic 1.2568e+001 -4.6580e-003 -2.6237e+003 -4.2863e+000 2.6225e+005
-#       -Range: 0-300
-
-# Sr(Gly)+, Sr(C2H4NO2)+
-      + 1.0000 Sr+2 + 1.0000 C2H5NO2  =  Sr(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -8.8283
-        -delta_h +239.307 kcal/mol
-        -analytic 2.8102e+000 7.4407e-003 -4.2138e+003 -8.6544e-001 2.1596e+005
-#       -Range: 0-300
-
-# Sr(Gly)2, Sr(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Sr+2  =  Sr(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -18.1764
-        -delta_h +347.420 kcal/mol
-        -analytic -2.8343e+001 -5.5578e-004 -9.2508e+003 1.3694e+001 6.6583e+005
-#       -Range: 0-300
-
-# Sr(Glyc)+, Sr(CH3OCO2)+
-      + 1.0000 Sr+2 + 1.0000 C2H4O3  =  Sr(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.5237
-        -delta_h +286.078 kcal/mol
-        -analytic -6.4133e+000 5.4199e-004 -1.3135e+003 2.2348e+000 2.3242e+005
-#       -Range: 0-300
-
-# Sr(Glyc)2, Sr(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Sr+2  =  Sr(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3971
-        -delta_h +441.109 kcal/mol
-        -analytic 1.3286e+001 -5.0599e-004 -5.9522e+003 -3.1148e+000 8.1395e+005
-#       -Range: 0-300
-
-# Sr(Lac)+, Sr(CH3CH2OCO2)+
-      + 1.0000 Sr+2 + 1.0000 C3H6O3  =  Sr(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.8829
-        -delta_h +295.697 kcal/mol
-        -analytic -4.0445e+000 1.9255e-003 -1.8712e+003 1.2700e+000 3.3209e+005
-#       -Range: 0-300
-
-# Sr(Lac)2, Sr(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Sr+2  =  Sr(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -6.0561
-        -delta_h +459.421 kcal/mol
-        -analytic -1.4468e+001 -2.5097e-003 -6.2399e+003 7.4467e+000 1.0390e+006
-#       -Range: 0-300
-
-# Sr(Pent)+, Sr(CH3(CH2)3CO2)+
-      Sr+2  + 1.0000 C4H9COOH  =  Sr(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.0475
-        -delta_h +263.755 kcal/mol
-        -analytic -1.6735e+001 4.7533e-003 -3.4901e+003 5.9457e+000 6.4784e+005
-#       -Range: 0-300
-
-# Sr(Pent)2, Sr(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Sr+2  =  Sr(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -10.3845
-        -delta_h +395.432 kcal/mol
-        -analytic -2.1107e+001 5.6147e-003 -1.2655e+004 1.1415e+001 2.0705e+006
-#       -Range: 0-300
-
-# Sr(Prop)+, Sr(CH3CH2CO2)+
-      Sr+2  + 1.0000 C2H5COOH  =  Sr(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.6568
-        -delta_h +252.548 kcal/mol
-        -analytic -6.6891e+000 2.5586e-003 -2.4244e+003 2.0550e+000 3.8526e+005
-#       -Range: 0-300
-
-# Sr(Prop)2, Sr(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Sr+2  =  Sr(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.653
-        -delta_h +374.036 kcal/mol
-        -analytic -1.7427e+001 2.9439e-004 -7.2086e+003 7.6682e+000 1.1487e+006
-#       -Range: 0-300
-
-# Suberate, C8H12O4-2
-    + 4.0000 CH3COOH  =  C8H12O4-2  + 2.0000 H+  + 1.5000 O2  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.508
-        -delta_h +238.130 kcal/mol
-        -analytic -2.2072e+002 -7.2265e-002 -2.8694e+004 8.5459e+001 -4.4768e+002
-#       -Range: 0-300
-
-# Suberic_acid, C8H14O4
-      + 4.0000 CH3COOH  =  C8H14O4  + 1.5000 O2  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -685.0983
-        -delta_h +237.760 kcal/mol
-        -analytic 3.0275e+002 3.8350e-002 -5.4760e+004 -1.0730e+002 1.5882e+006
-#       -Range: 0-300
-
-# Succinate, C4H4O4-2
-    + 2.0000 CH3COOH + 0.5000 O2  =  C4H4O4-2  + 2.0000 H+  + 1.0000 H2O
-        -llnl_gamma           4.0
-        log_k    -4.2075
-        -delta_h +217.350 kcal/mol
-        -analytic -1.2187e+002 -7.6672e-002 1.1465e+004 5.2865e+001 1.7894e+002
-#       -Range: 0-300
-
-# Succinic_acid, C4H6O4
-    + 4.0000 HCO3- + 4.0000 H+  =  C4H6O4  + 1.0000 H2O  + 3.5000 O2
-        -llnl_gamma           3.0
-        log_k    -249.5736
-        -delta_h +218.000 kcal/mol
-        -analytic -2.2145E+03 -3.6471E-01 -5.6115E+02 8.3864E+02 -1.6486E-01
-#       -Range: 0-300
-
-# Threonine, C4H9NO3
-    + 2.0000 C2H5NO2 + 1.0000 H2O  =  C4H9NO3  + 1.0000 NH3  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    -298.0694
-        -delta_h +179.100 kcal/mol
-        -analytic -1.0140e+002 6.4713e-004 -2.0508e+004 3.5679e+001 -3.1999e+002
-#       -Range: 0-300
-
-# Toluene, C6H5CH3
-    + 7.0000 HCO3- + 7.0000 H+  =  C6H5CH3  + 9.0000 O2  + 3.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -643.4017
-        -delta_h -3.28 kcal/mol
-        -analytic -5.7062E+03 -9.5845E-01 -6.8381E+02 2.1621E+03 -1.1553E+00
-#       -Range: 0-300
-
-# Tryptophan, C11H12N2O2
-    + 5.5000 C2H5NO2  =  C11H12N2O2  + 3.5000 NH3  + 3.2500 O2  + 2.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -821.6547
-        -delta_h +97.800 kcal/mol
-        -analytic 2.0110e+002 6.4379e-002 -9.2769e+004 -6.7930e+001 2.8656e+006
-#       -Range: 0-300
-
-# Tyrosine, C9H11NO3
-    + 4.5000 C2H5NO2  =  C9H11NO3  + 3.5000 NH3  + 2.7500 O2  + 0.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -685.9078
-        -delta_h +157.400 kcal/mol
-        -analytic 8.1097e+001 4.1846e-002 -7.3858e+004 -2.6230e+001 1.7718e+006
-#       -Range: 0-300
-
-# Undecanoate, C11H21O2-
-      + 5.5000 CH3COOH  =  C11H21O2-  + 4.5000 O2  + 1.0000 H+
-        -llnl_gamma           4.0
-        log_k    -4.9258
-        -delta_h +168.370 kcal/mol
-        -analytic -3.4192e+002 -1.8413e-002 -8.6143e+004 1.1839e+002 -1.3441e+003
-#       -Range: 0-300
-
-# Undecanoic_acid, C11H22O2
-        + 5.5000 CH3COOH  =  C11H22O2  + 4.5000 O2
-        -llnl_gamma           3.0
-        log_k    -1119.4911
-        -delta_h +167.870 kcal/mol
-        -analytic -3.8607e+002 -2.5829e-002 -8.4510e+004 1.3690e+002 -1.3186e+003
-#       -Range: 0-300
-
-# Urea, (NH2)2CO
-    + 2.0000 NH3 + 1.0000 HCO3- + 1.0000 H+  =  (NH2)2CO  + 2.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -NH3(aq)
-        -delta_h +48.720 kcal/mol
-        -analytic 1.0904e+002 3.5979e-002 -6.9287e+002 -4.4776e+001 -1.0844e+001
-#       -Range: 0-300
-
-# Valine, C5H11NO2
-    + 2.5000 C2H5NO2 + 1.5000 H2O  =  C5H11NO2  + 2.2500 O2  + 1.5000 NH3
-        -llnl_gamma           3.0
-        log_k    +8.7263
-        -delta_h +147.300 kcal/mol
-        -analytic 3.7382e+001 2.7415e-002 -5.6188e+004 -1.2674e+001 1.1178e+006
-#       -Range: 0-300
-
-# Yb(But)+2, Yb(CH3(CH2)2CO2)+2
-      + 1.0000 Yb+3 + 1.0000 C3H7COOH  =  Yb(CH3(CH2)2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1382
-        -delta_h +291.999 kcal/mol
-        -analytic -1.2860e+001 1.7057e-003 -2.0611e+003 4.3737e+000 5.6186e+005
-#       -Range: 0-300
-
-# Yb(But)2+, Yb(CH3(CH2)2CO2)2+
-      + 2.0000 C3H7COOH + 1.0000 Yb+3  =  Yb(CH3(CH2)2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.046
-        -delta_h +422.417 kcal/mol
-        -analytic -2.4830e+001 4.6045e-003 -5.0416e+003 8.6785e+000 1.2339e+006
-#       -Range: 0-300
-
-# Yb(For)+2, Yb(CHO2)+2
-      + 1.0000 Yb+3 + 1.0000 HCOOH  =  Yb(CHO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.0533
-        -delta_h +265.749 kcal/mol
-        -analytic -4.3955e+000 -1.0863e-003 -2.9561e+002 1.0868e+000 1.7552e+005
-#       -Range: 0-300
-
-# Yb(For)2+, Yb(CHO2)2+
-      + 2.0000 HCOOH + 1.0000 Yb+3  =  Yb(CHO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.8858
-        -delta_h +370.998 kcal/mol
-        -analytic 1.6276e+000 -3.1580e-003 -1.1548e+002 -2.0889e+000 1.7727e+005
-#       -Range: 0-300
-
-# Yb(Pent)+2, Yb(CH3(CH2)3CO2)+2
-      Yb+3  + 1.0000 C4H9COOH  =  Yb(CH3(CH2)3CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.1675
-        -delta_h +298.479 kcal/mol
-        -analytic -2.3047e+001 2.8250e-003 -2.9411e+003 8.5036e+000 7.8951e+005
-#       -Range: 0-300
-
-# Yb(Pent)2+, Yb(CH3(CH2)3CO2)2+
-      + 2.0000 C4H9COOH + 1.0000 Yb+3  =  Yb(CH3(CH2)3CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.1142
-        -delta_h +434.659 kcal/mol
-        -analytic -5.2700e+001 8.2187e-003 -7.2378e+003 1.9860e+001 1.8060e+006
-#       -Range: 0-300
-
-# Yb(Prop)+2, Yb(CH3CH2CO2)+2
-      Yb+3  + 1.0000 C2H5COOH  =  Yb(CH3CH2CO2)+2  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -2.3266
-        -delta_h +286.522 kcal/mol
-        -analytic -6.7242e+000 2.3108e-003 -2.1680e+003 2.0842e+000 5.1913e+005
-#       -Range: 0-300
-
-# Yb(Prop)2+, Yb(CH3CH2CO2)2+
-      + 2.0000 C2H5COOH + 1.0000 Yb+3  =  Yb(CH3CH2CO2)2+  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.3927
-        -delta_h +412.078 kcal/mol
-        -analytic -3.8113e+001 1.3154e-003 -3.4162e+003 1.3121e+001 1.0092e+006
-#       -Range: 0-300
-
-# Zn(Ala)+, Zn(C3H6NO2)+
-      + 1.0000 Zn+2 + 1.0000 C3H7NO2  =  Zn(C3H6NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -5.4147
-        -delta_h +161.048 kcal/mol
-        -analytic 1.2672e+001 6.7980e-003 -5.1247e+003 -3.5266e+000 5.1686e+005
-#       -Range: 0-300
-
-# Zn(Ala)2, Zn(C3H6NO2)2
-      + 2.0000 C3H7NO2 + 1.0000 Zn+2  =  Zn(C3H6NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -11.4994
-        -delta_h +283.389 kcal/mol
-        -analytic 4.4585e+001 1.2039e-002 -1.3805e+004 -1.1865e+001 1.4233e+006
-#       -Range: 0-300
-
-# Zn(But)+, Zn(CH3(CH2)2CO2)+
-      + 1.0000 Zn+2 + 1.0000 C3H7COOH  =  Zn(CH3(CH2)2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.3682
-        -delta_h +166.539 kcal/mol
-        -analytic -1.6276e+001 9.6461e-004 -1.8810e+003 5.4462e+000 4.8622e+005
-#       -Range: 0-300
-
-# Zn(But)2, Zn(CH3(CH2)2CO2)2
-      + 2.0000 C3H7COOH + 1.0000 Zn+2  =  Zn(CH3(CH2)2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.2956
-        -delta_h +296.560 kcal/mol
-        -analytic -1.3591e+001 4.2586e-003 -7.2513e+003 5.4031e+000 1.4233e+006
-#       -Range: 0-300
-
-# Zn(For)+, Zn(CHO2)+
-      + 1.0000 Zn+2 + 1.0000 HCOOH  =  Zn(CHO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.9828
-        -delta_h +140.698 kcal/mol
-        -analytic -1.1156e+001 -2.5823e-003 7.3093e+001 3.4639e+000 1.0064e+005
-#       -Range: 0-300
-
-# Zn(For)2, Zn(CHO2)2
-      + 2.0000 HCOOH + 1.0000 Zn+2  =  Zn(CHO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.5857
-        -delta_h +245.726 kcal/mol
-        -analytic -7.1074e-001 -3.3021e-003 -9.4938e+002 -1.0872e+000 2.6619e+005
-#       -Range: 0-300
-
-# Zn(Gly)+, Zn(C2H4NO2)+
-      + 1.0000 Zn+2 + 1.0000 C2H5NO2  =  Zn(C2H4NO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -4.398
-        -delta_h +151.609 kcal/mol
-        -analytic 1.4690e+000 6.2605e-003 -3.1652e+003 -1.7705e-001 2.9610e+005
-#       -Range: 0-300
-
-# Zn(Gly)2, Zn(C2H4NO2)2
-      + 2.0000 C2H5NO2 + 1.0000 Zn+2  =  Zn(C2H4NO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -9.7468
-        -delta_h +267.408 kcal/mol
-        -analytic -6.7271e+000 5.7103e-003 -7.3518e+003 4.5306e+000 7.7709e+005
-#       -Range: 0-300
-
-# Zn(Glyc)+, Zn(CH3OCO2)+
-      + 1.0000 Zn+2 + 1.0000 C2H4O3  =  Zn(CH3OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.4536
-        -delta_h +194.550 kcal/mol
-        -analytic -1.1705e+001 -8.4917e-004 -8.2775e+002 4.0500e+000 2.9059e+005
-#       -Range: 0-300
-
-# Zn(Glyc)2, Zn(CH3OCO2)2
-      + 2.0000 C2H4O3 + 1.0000 Zn+2  =  Zn(CH3OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.4371
-        -delta_h +353.139 kcal/mol
-        -analytic 6.2982e-001 9.5823e-004 -3.9294e+003 -1.4746e-001 8.1885e+005
-#       -Range: 0-300
-
-# Zn(Lac)+, Zn(CH3CH2OCO2)+
-      + 1.0000 Zn+2 + 1.0000 C3H6O3  =  Zn(CH3CH2OCO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -1.6632
-        -delta_h +200.064 kcal/mol
-        -analytic -1.2294e+001 1.2442e-003 -1.5665e+003 4.7943e+000 3.2586e+005
-#       -Range: 0-300
-
-# Zn(Lac)2, Zn(CH3CH2OCO2)2
-      + 2.0000 C3H6O3 + 1.0000 Zn+2  =  Zn(CH3CH2OCO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.9758
-        -delta_h +364.728 kcal/mol
-        -analytic 3.8951e+000 2.6835e-003 -7.1188e+003 1.0404e+000 1.1253e+006
-#       -Range: 0-300
-
-# Zn(Pent)+, Zn(CH3(CH2)3CO2)+
-      Zn+2  + 1.0000 C4H9COOH =  Zn(CH3(CH2)3CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.4869
-        -delta_h +172.896 kcal/mol
-        -analytic -1.1325e+001 4.3921e-003 -3.5920e+003 4.0708e+000 7.5781e+005
-#       -Range: 0-300
-
-# Zn(Pent)2, Zn(CH3(CH2)3CO2)2
-      + 2.0000 C4H9COOH + 1.0000 Zn+2  =  Zn(CH3(CH2)3CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.5243
-        -delta_h +308.690 kcal/mol
-        -analytic -1.2210e+001 1.0120e-002 -1.1570e+004 6.6228e+000 2.1453e+006
-#       -Range: 0-300
-
-# Zn(Prop)+, Zn(CH3CH2CO2)+
-      Zn+2  + 1.0000 C2H5COOH  =  Zn(CH3CH2CO2)+  + 1.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -3.6467
-        -delta_h +160.939 kcal/mol
-        -analytic -1.2581e+001 1.0699e-003 -1.9249e+003 4.0899e+000 4.4167e+005
-#       -Range: 0-300
-
-# Zn(Prop)2, Zn(CH3CH2CO2)2
-      + 2.0000 C2H5COOH + 1.0000 Zn+2  =  Zn(CH3CH2CO2)2  + 2.0000 H+
-        -llnl_gamma         3.0           
-        log_k    -7.8029
-        -delta_h +285.915 kcal/mol
-        -analytic 5.0990e+000 6.7118e-003 -7.1926e+003 -2.0259e+000 1.2684e+006
-#       -Range: 0-300
-
-# a-Aminobutyric_acid, C4H9NO2
-    + 2.0000 C2H5NO2 + 1.0000 H2O  =  C4H9NO2  + 1.5000 O2  + 1.0000 NH3
-        -llnl_gamma           3.0
-        log_k    +8.5576
-        -delta_h +138.180 kcal/mol
-        -analytic -1.4296e+002 -5.6984e-004 -2.6712e+004 5.0706e+001 -4.1677e+002
-#       -Range: 0-300
-
-# m-Toluate, C8H7O2-
-    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
-        -llnl_gamma           4.0
-        log_k    -1.9205
-        -delta_h +95.350 kcal/mol
-        -analytic -2.1064e+002 -3.7768e-002 -1.3591e+004 7.7265e+001 -2.1201e+002
-#       -Range: 0-300
-
-# m-Toluic_acid, C8H8O2
-      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    +2.3383
-        -delta_h +95.450 kcal/mol
-        -analytic -3.8131e+000 4.7688e-003 -2.3805e+004 1.3041e+000 6.1998e+005
-#       -Range: 0-300
-
-# n-Butane, C4H10
-      + 2.0000 C2H6 + 0.5000 O2  =  C4H10  + 1.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -471.7285
-        -delta_h +36.230 kcal/mol
-        -analytic -4.4434e+001 -1.4522e-002 1.4959e+004 1.6121e+001 -3.5819e+005
-#       -Range: 0-300
-
-# n-Butylbenzene, C6H5C4H9
-#      + 6.0000 H2O + 5.0000 C6H6  =  C6H5C4H9  + 3.0000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -2907.6453
-#        -delta_h +14.430 kcal/mol
-#        -analytic 6.8560e+002 1.2459e-001 -1.0249e+005 -2.5284e+002 2.3594e+006
-#       -Range: 0-300
-
-# n-Heptane, C7H16
-      + 3.5000 C2H6 + 1.2500 O2  =  C7H16  + 2.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -797.97
-        -delta_h +52.950 kcal/mol
-        -analytic 1.3006e+002 -5.8965e-003 2.2874e+004 -4.5370e+001 3.5689e+002
-#       -Range: 0-300
-
-# n-Heptylbenzene, C6H5C7H15
-#      + 10.5000 H2O + 6.5000 C6H6  =  C6H5C7H15  + 5.2500 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -3886.5811
-#        -delta_h +31.090 kcal/mol
-#        -analytic -5.4784e+001 4.5194e-002 -1.1072e+005 8.0680e+000 -1.7277e+003
-#       -Range: 0-300
-
-# n-Hexane, C6H14
-      + 3.0000 C2H6 + 1.0000 O2  =  C6H14  + 2.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -689.2922
-        -delta_h +47.400 kcal/mol
-        -analytic -8.0362e+001 -2.8468e-002 2.9412e+004 2.9224e+001 -7.0316e+005
-#       -Range: 0-300
-
-# n-Hexylbenzene, C6H5C6H13
-      + 3.0000 H2O + 2.0000 C6H6  =  C6H5C6H13  + 1.5000 O2
-        -llnl_gamma           3.0
-        log_k    -1186.7026
-        -delta_h +25.590 kcal/mol
-        -analytic 3.5759e+002 6.3935e-002 -5.2899e+004 -1.3148e+002 1.2819e+006
-#       -Range: 0-300
-
-# n-Octane, C8H18
-      + 4.0000 C2H6 + 1.5000 O2  =  C8H18  + 3.0000 H2O
-        -llnl_gamma           3.0
-        log_k    -906.6918
-        -delta_h +59.410 kcal/mol
-        -analytic -1.4173e+002 -4.6447e-002 4.5236e+004 5.1540e+001 -1.1006e+006
-#       -Range: 0-300
-
-# n-Octylbenzene, C6H5C8H17
-#      + 12.0000 H2O + 7.0000 C6H6  =  C6H5C8H17  + 6.0000 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -4212.6143
-#        -delta_h +36.760 kcal/mol
-#        -analytic 1.2934e+003 2.4001e-001 -2.0402e+005 -4.7773e+002 4.5749e+006
-#       -Range: 0-300
-
-# n-Pentane, C5H12
-      + 2.5000 C2H6 + 0.7500 O2  =  C5H12  + 1.5000 H2O
-        -llnl_gamma           3.0
-        log_k    -580.4385
-        -delta_h +41.560 kcal/mol
-        -analytic 8.4526e+000 -1.1432e-002 1.8295e+004 -2.8367e+000 -3.1818e+005
-#       -Range: 0-300
-
-# n-Pentylbenzene, C6H5C5H11
-#      + 7.5000 H2O + 5.5000 C6H6  =  C6H5C5H11  + 3.7500 O2
-#	does not balance
-#        -llnl_gamma           3.0
-#        log_k    -3233.7886
-#        -delta_h +19.750 kcal/mol
-#        -analytic 2.9887e+002 7.2990e-002 -9.9228e+004 -1.1348e+002 1.3767e+006
-#       -Range: 0-300
-
-# n-Propylbenzene, C6H5C3H7
-      + 1.5000 H2O + 1.5000 C6H6  =  C6H5C3H7  + 0.7500 O2
-        -llnl_gamma           3.0
-        log_k    -860.618
-        -delta_h +8.630 kcal/mol
-        -analytic -4.3768e+000 6.3937e-003 -1.5469e+004 0.0000e+000 0.0000e+000
-#       -Range: 0-300
-
-# o-Toluate, C8H7O2-
-    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
-        -llnl_gamma           4.0
-        log_k    -3.9069
-        -delta_h +94.070 kcal/mol
-        -analytic -2.2819e+002 -3.9422e-002 -1.3238e+004 8.3275e+001 -2.0650e+002
-#       -Range: 0-300
-
-# o-Toluic_acid, C8H8O2
-      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    -642.3493
-        -delta_h +92.640 kcal/mol
-        -analytic 8.2106e+001 1.6240e-002 -2.9218e+004 -2.9637e+001 8.9007e+005
-#       -Range: 0-300
-
-# p-Toluate, C8H7O2-
-    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
-        -llnl_gamma           4.0
-        log_k    -1.6786
-        -delta_h +96.160 kcal/mol
-        -analytic -1.9101e+002 -3.8193e-002 -1.4330e+004 7.0482e+001 -2.2355e+002
-#       -Range: 0-300
-
-# p-Toluic_acid, C8H8O2
-      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
-        -llnl_gamma           3.0
-        log_k    +2.6901
-        -delta_h +96.190 kcal/mol
-        -analytic 1.5812e+002 2.5784e-002 -3.1991e+004 -5.7207e+001 1.0103e+006
-#       -Range: 0-300
-
-# U(But)+2, U(CH3(CH2)2CO2)+2
-	1.0000 U+3  + 1.0000 C3H7COOH = U(CH3(CH2)2CO2)+2 + 1.0000 H+
-        -llnl_gamma           4.5
-        log_k    -2.1498
-        -delta_h  248.272 kcal/mol
-	-analytic  4.8984E+01	2.2598E-02	-5.4323E+02	-2.2538E+01	1.6299E+00
-#       -Range: 0-300
-
-# U(But)2+, U(CH3(CH2)2CO2)2+
-	1.0000 U+3  + 2.0000 C3H7COOH = U(CH3(CH2)2CO2)2+ + 2.0000 H+
-        -llnl_gamma           4.5
-        log_k    -4.9572
-        -delta_h  377.871 kcal/mol
-	-analytic  7.8056E+01	4.5216E-02	-5.4214E+02	-3.8131E+01	1.6380E+00
-#       -Range: 0-300
-
-# U(For)+2, U(CHO2)+2
-	1.0000 U+3  + 1.0000 HCOOH = U(CHO2)+2 + 1.0000 H+
-        -llnl_gamma           4.5
-        log_k    -1.0650
-        -delta_h  221.372 kj/mol
-	-analytic 3.4236E+01  7.8056E+01	4.5216E-02	-5.4214E+02	-3.8131E+01	1.6380E+00
-#       -Range: 0-300
-
-# U(For)2+, U(CHO2)2+
-	1.0000 U+3  + 2.0000 HCOOH = U(CHO2)2+ + 2.0000 H+
-        -llnl_gamma           4.0
-        log_k    -2.2378
-        -delta_h  325.914 kj/mol
-	-analytic  3.4236E+01	3.5094E-03	-5.4368E+02	-1.4325E+01	1.6273E+00
-#	-Range: 0-300
-
-# U(Pent)+2, U(CH3(CH2)3CO2)+2
-	1.0000 U+3  + 1.0000 C4H9COOH = U(CH3(CH2)3CO2)+2 + 1.0000 H+
-        -llnl_gamma           4.5
-        log_k    -2.1791
-        -delta_h  254.046 kj/mol
-	-analytic  6.0007E+01	3.2104E-02	-5.4273E+02	-2.8145E+01	1.6343E+00
-#	-Range: 0-300
-
-# U(Prop)+2, U(CH3CH2CO2)+2
-	1.0000 U+3  + 1.0000 C2H5COOH = U(CH3CH2CO2)+2 + 1.0000 H+
-        -llnl_gamma           4.5
-        log_k    -2.2084
-        -delta_h  242.291 kj/mol
-	-analytic  4.5186E+01	2.0784E-02	-5.4323E+02	-2.0809E+01	1.6310E+00
-#	-Range: 0-300
-
-# U(Prop)2+, U(CH3CH2CO2)2+
-	1.0000 U+3  + 2.0000 C2H5COOH = U(CH3CH2CO2)2+ + 2.0000 H+
-        -llnl_gamma           4.0
-        log_k    -5.3149
-        -delta_h  366.155 kj/mol
-	-analytic  6.7383E+01	3.8662E-02	-5.4239E+02	-3.3175E+01	1.6373E+00
-#	-Range: 0-300
-
-3.0000 H+  + 1.0000 HCO3- + 1.0000 SO4-2 = CH3SH + 3.5 O2		# Methanethiol
-        -llnl_gamma           3.0    
-        log_k            -242.047					# from supcrt92
-#	Enthalpy of formation:	-11.650	kcal/mol			# from supcrt92
-	-delta_H	360498 cal/mol					# from supcrt92 
-        -analytic    -2.03598E+03	-2.78169E-01	-6.13323E+02	7.59329E+02	1.13938E+00
-#       -Range:  0-350
-
-4.0000 H+  + 2.0000 HCO3- + 1.0000 SO4-2 = C2H5SH + 5.0 O2		# Ethanethiol
-        -llnl_gamma           3.0    
-        log_k            -349.764					# from supcrt92
-#	Enthalpy of formation:	-17.820	kcal/mol			# from supcrt92
-	-delta_H	514876 cal/mol					# from supcrt92 
-        -analytic    -2.96331E+03	-4.22107E-01	-1.00319E+02	1.10720E+03	2.90155E-01
-#       -Range:  0-350
-
-5.0000 H+  + 3.0000 HCO3- + 1.0000 SO4-2 = C3H7SH + 6.5 O2		# Propanethiol
-        -llnl_gamma           3.0    
-        log_k            -458.757					# from supcrt92
-#	Enthalpy of formation:	-23.320	kcal/mol			# from supcrt92
-	-delta_H	669924 cal/mol					# from supcrt92 
-        -analytic    -3.88470E+03	-5.63950E-01	-1.31641E+02	1.45265E+03	6.67442E-02
-#       -Range:  0-350
-
-6.0000 H+  + 4.0000 HCO3- + 1.0000 SO4-2 = C4H9SH + 8.0 O2		# Butanethiol
-        -llnl_gamma           3.0    
-        log_k            -567.530					# from supcrt92
-#	Enthalpy of formation:	-28.630	kcal/mol			# from supcrt92
-	-delta_H	825162 cal/mol					# from supcrt92 
-        -analytic    -4.80261E+03	-7.05108E-01	-1.62840E+02	1.79669E+03	-1.59893E-01
-#       -Range:  0-350
-
-7.0000 H+  + 5.0000 HCO3- + 1.0000 SO4-2 = C5H11SH + 9.5 O2		# Pentanethiol
-        -llnl_gamma           3.0    
-        log_k            -676.604					# from supcrt92
-#	Enthalpy of formation:	-34.530	kcal/mol			# from supcrt92
-	-delta_H	979810 cal/mol					# from supcrt92 
-        -analytic    -5.71970E+03	-8.46049E-01	-1.94013E+02	2.14026E+03	-3.61870E-01
-#       -Range:  0-350
-
-8.0000 H+  + 6.0000 HCO3- + 1.0000 SO4-2 = C6H13SH + 11.0 O2		# Hexanethiol
-        -llnl_gamma           3.0    
-        log_k            -785.084					# from supcrt92
-#	Enthalpy of formation:	-40.200	kcal/mol			# from supcrt92
-	-delta_H	1134688 cal/mol					# from supcrt92 
-        -analytic    -6.63401E+03	-9.86521E-01	-2.25089E+02	2.48288E+03	-5.76590E-01
-#       -Range:  0-350
-
-9.0000 H+  + 7.0000 HCO3- + 1.0000 SO4-2 = C7H15SH + 12.5 O2		# Heptanethiol
-        -llnl_gamma           3.0    
-        log_k             -893.762					# from supcrt92
-#	Enthalpy of formation:	-45.870	kcal/mol			# from supcrt92
-	-delta_H	1289566 cal/mol					# from supcrt92 
-        -analytic    -7.55009E+03	-1.12735E+00	-2.56223E+02	2.82618E+03	-8.06879E-01
-#       -Range:  0-350
-
-10.0000 H+  + 8.0000 HCO3- + 1.0000 SO4-2 = C8H17SH + 14.0 O2		# Octanethiol
-        -llnl_gamma           3.0    
-        log_k             -1002.439					# from supcrt92
-#	Enthalpy of formation:	-51.540	kcal/mol			# from supcrt92
-	-delta_H	1444444 cal/mol					# from supcrt92 
-        -analytic    -8.46618E+03	-1.26818E+00	-2.87362E+02	3.16949E+03	-1.03755E+00
-#       -Range:  0-350
-
-11.0000 H+  + 9.0000 HCO3- + 1.0000 SO4-2 = C9H19SH + 15.5 O2		# Nonanethiol
-        -llnl_gamma           3.0    
-        log_k             -1111.117					# from supcrt92
-#	Enthalpy of formation:	-57.210	kcal/mol			# from supcrt92
-	-delta_H	1599322 cal/mol					# from supcrt92 
-        -analytic    -9.38233E+03	-1.40904E+00	-3.18508E+02	3.51283E+03	-1.24321E+00
-#       -Range:  0-350
-
-12.0000 H+  + 10.0000 HCO3- + 1.0000 SO4-2 = C10H21SH + 17.0 O2		# Decanethiol
-        -llnl_gamma           3.0    
-        log_k            -1219.795					# from supcrt92
-#	Enthalpy of formation:	-62.880	kcal/mol			# from supcrt92
-	-delta_H	1754200 cal/mol					# from supcrt92 
-        -analytic    -1.02985E+04	-1.54990E+00	-3.49643E+02	3.85617E+03	-1.48034E+00
-#       -Range:  0-350
-
-PHASES
-
-Toluene(l)	# from J.Thom
-        C7H8 = C7H8
-        log_k	-2.2639168374931
-        -analytic 1.9804E+01 2.0653E-02 1.5436E+00 -1.1409E+01 2.8885E-03
-
-Toluene(g)	# from J.Thom
-        C7H8 = C7H8
-        log_k	-.67116
-        -analytic 7.43133e1 3.42616e-2 2.40651e0 -3.44352e1 -4.36135e0
-
-CH4(g)		# from J.Thom
-        CH4 = CH4
-        log_k	-2.8502
-        -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
-        -analytic  -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
-
-####################################
-
-#End of data entered Feb. 4, 2011
-
-#################################
-
-#  1122 minerals
-
-(UO2)2As2O7
-       (UO2)2As2O7 +2.0000 H+ +1.0000 H2O  =  + 2.0000 H2AsO4- + 2.0000 UO2++
-        log_k           7.7066
-	-delta_H	-145.281	kJ/mol	# Calculated enthalpy of reaction	(UO2)2As2O7
-#	Enthalpy of formation:	-3426 kJ/mol
-        -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002
-#       -Range:  0-300
-
-(UO2)2Cl3
-       (UO2)2Cl3  =  + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl-
-        log_k           12.7339
-	-delta_H	-140.866	kJ/mol	# Calculated enthalpy of reaction	(UO2)2Cl3
-#	Enthalpy of formation:	-2404.5 kJ/mol
-        -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002
-#       -Range:  0-300
-
-(UO2)2P2O7
-       (UO2)2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -14.6827
-	-delta_H	-103.726	kJ/mol	# Calculated enthalpy of reaction	(UO2)2P2O7
-#	Enthalpy of formation:	-4232.6 kJ/mol
-        -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002
-#       -Range:  0-300
-
-(UO2)3(AsO4)2
-       (UO2)3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 UO2++
-        log_k           9.3177
-	-delta_H	-186.72	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(AsO4)2
-#	Enthalpy of formation:	-4689.4 kJ/mol
-        -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002
-#       -Range:  0-300
-
-(UO2)3(PO4)2
-       (UO2)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++
-        log_k           -14.0241
-	-delta_H	-149.864	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2
-#	Enthalpy of formation:	-5491.3 kJ/mol
-        -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002
-#       -Range:  0-300
-
-(UO2)3(PO4)2:4H2O
-       (UO2)3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O
-        log_k           -27.0349
-	-delta_H	-45.4132	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2:4H2O
-#	Enthalpy of formation:	-6739.1 kJ/mol
-        -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001
-#       -Range:  0-200
-
-(VO)3(PO4)2
-       (VO)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 VO++
-        log_k           48.7864
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Acanthite
-        Ag2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Ag+
-        log_k           -36.0346
-	-delta_H	226.982	kJ/mol	# Calculated enthalpy of reaction	Acanthite
-#	Enthalpy of formation:	-7.55 kcal/mol
-        -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002
-#       -Range:  0-300
-
-Afwillite
-        Ca3Si2O4(OH)6 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O
-        log_k           60.0452
-	-delta_H	-316.059	kJ/mol	# Calculated enthalpy of reaction	Afwillite
-#	Enthalpy of formation:	-1143.31 kcal/mol
-        -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005
-#       -Range:  0-300
-
-Ag
-       Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+
-        log_k           7.9937
-	-delta_H	-34.1352	kJ/mol	# Calculated enthalpy of reaction	Ag
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001
-#       -Range:  0-300
-
-Ag3PO4
-       Ag3PO4 +1.0000 H+  =  + 1.0000 HPO4-- + 3.0000 Ag+
-        log_k           -5.2282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag3PO4
-#	Enthalpy of formation:	0 kcal/mol
-
-Ahlfeldite
-        NiSeO3:2H2O  =  + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -4.4894
-	-delta_H	-25.7902	kJ/mol	# Calculated enthalpy of reaction	Ahlfeldite
-#	Enthalpy of formation:	-265.07 kcal/mol
-        -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001
-#       -Range:  0-200
-
-Akermanite
-        Ca2MgSi2O7 +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
-        log_k           45.3190
-	-delta_H	-288.575	kJ/mol	# Calculated enthalpy of reaction	Akermanite
-#	Enthalpy of formation:	-926.497 kcal/mol
-        -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005
-#       -Range:  0-300
-
-Al
-       Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O
-        log_k           149.9292
-	-delta_H	-958.059	kJ/mol	# Calculated enthalpy of reaction	Al
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005
-#       -Range:  0-300
-
-Al2(SO4)3
-       Al2(SO4)3  =  + 2.0000 Al+++ + 3.0000 SO4--
-        log_k           19.0535
-	-delta_H	-364.566	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3
-#	Enthalpy of formation:	-3441.04 kJ/mol
-        -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002
-#       -Range:  0-300
-
-Al2(SO4)3:6H2O
-       Al2(SO4)3:6H2O  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O
-        log_k           1.6849
-	-delta_H	-208.575	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3:6H2O
-#	Enthalpy of formation:	-5312.06 kJ/mol
-        -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002
-#       -Range:  0-300
-
-AlF3
-       AlF3  =  + 1.0000 Al+++ + 3.0000 F-
-        log_k           -17.2089
-	-delta_H	-34.0441	kJ/mol	# Calculated enthalpy of reaction	AlF3
-#	Enthalpy of formation:	-1510.4 kJ/mol
-        -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002
-#       -Range:  0-300
-
-Alabandite
-        MnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Mn++
-        log_k           -0.3944
-	-delta_H	-23.3216	kJ/mol	# Calculated enthalpy of reaction	Alabandite
-#	Enthalpy of formation:	-51 kcal/mol
-        -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001
-#       -Range:  0-300
-
-Alamosite
-        PbSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2
-        log_k           5.6733
-	-delta_H	-16.5164	kJ/mol	# Calculated enthalpy of reaction	Alamosite
-#	Enthalpy of formation:	-1146.1 kJ/mol
-        -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002
-#       -Range:  0-200
-
-Albite
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           2.7645
-	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite
-#	Enthalpy of formation:	-939.68 kcal/mol
-        -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006
-#       -Range:  0-300
-
-Albite_high
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           4.0832
-	-delta_H	-62.8562	kJ/mol	# Calculated enthalpy of reaction	Albite_high
-#	Enthalpy of formation:	-937.05 kcal/mol
-        -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006
-#       -Range:  0-300
-
-Albite_low
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           2.7645
-	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite_low
-#	Enthalpy of formation:	-939.68 kcal/mol
-        -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006
-#       -Range:  0-300
-
-Alstonite
-        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
-        log_k           2.5843
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Alstonite
-#	Enthalpy of formation:	0 kcal/mol
-
-Alum-K
-        KAl(SO4)2:12H2O  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O
-        log_k           -4.8818
-	-delta_H	14.4139	kJ/mol	# Calculated enthalpy of reaction	Alum-K
-#	Enthalpy of formation:	-1447 kcal/mol
-        -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002
-#       -Range:  0-300
-
-Alunite
-        KAl3(OH)6(SO4)2 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           -0.3479
-	-delta_H	-231.856	kJ/mol	# Calculated enthalpy of reaction	Alunite
-#	Enthalpy of formation:	-1235.6 kcal/mol
-        -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002
-#       -Range:  0-300
-
-Am
-       Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O
-        log_k           169.3900
-	-delta_H	-1036.36	kJ/mol	# Calculated enthalpy of reaction	Am
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-300
-
-Am(OH)3
-       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
-        log_k           15.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Am(OH)3(am)
-       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
-        log_k           17.0217
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Am2(CO3)3
-       Am2(CO3)3 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
-        log_k           -2.3699
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Am2C3
-       Am2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
-        log_k           503.9594
-	-delta_H	-3097.6	kJ/mol	# Calculated enthalpy of reaction	Am2C3
-#	Enthalpy of formation:	-151 kJ/mol
-        -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003
-#       -Range:  0-200
-
-Am2O3
-       Am2O3 +6.0000 H+  =  + 2.0000 Am+++ + 3.0000 H2O
-        log_k           51.7905
-	-delta_H	-400.515	kJ/mol	# Calculated enthalpy of reaction	Am2O3
-#	Enthalpy of formation:	-1690.4 kJ/mol
-        -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002
-#       -Range:  0-300
-
-AmBr3
-       AmBr3  =  + 1.0000 Am+++ + 3.0000 Br-
-        log_k           21.7826
-	-delta_H	-171.21	kJ/mol	# Calculated enthalpy of reaction	AmBr3
-#	Enthalpy of formation:	-810 kJ/mol
-        -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-AmCl3
-       AmCl3  =  + 1.0000 Am+++ + 3.0000 Cl-
-        log_k           14.3513
-	-delta_H	-140.139	kJ/mol	# Calculated enthalpy of reaction	AmCl3
-#	Enthalpy of formation:	-977.8 kJ/mol
-        -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001
-#       -Range:  0-200
-
-AmF3
-       AmF3  =  + 1.0000 Am+++ + 3.0000 F-
-        log_k           -13.1190
-	-delta_H	-34.7428	kJ/mol	# Calculated enthalpy of reaction	AmF3
-#	Enthalpy of formation:	-1588 kJ/mol
-        -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000
-#       -Range:  0-200
-
-AmF4
-       AmF4  =  + 1.0000 Am++++ + 4.0000 F-
-        log_k           -25.1354
-	-delta_H	-37.3904	kJ/mol	# Calculated enthalpy of reaction	AmF4
-#	Enthalpy of formation:	-1710 kJ/mol
-        -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000
-#       -Range:  0-200
-
-AmH2
-       AmH2 +2.0000 H+ +1.0000 O2  =  + 1.0000 Am++ + 2.0000 H2O
-        log_k           128.4208
-	-delta_H	-738.376	kJ/mol	# Calculated enthalpy of reaction	AmH2
-#	Enthalpy of formation:	-175.8 kJ/mol
-        -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002
-#       -Range:  0-300
-
-AmI3
-       AmI3  =  + 1.0000 Am+++ + 3.0000 I-
-        log_k           24.7301
-	-delta_H	-175.407	kJ/mol	# Calculated enthalpy of reaction	AmI3
-#	Enthalpy of formation:	-612 kJ/mol
-        -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002
-#       -Range:  0-200
-
-AmO2
-       AmO2 +4.0000 H+  =  + 1.0000 Am++++ + 2.0000 H2O
-        log_k           -9.4203
-	-delta_H	-45.4767	kJ/mol	# Calculated enthalpy of reaction	AmO2
-#	Enthalpy of formation:	-932.2 kJ/mol
-        -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001
-#       -Range:  0-300
-
-AmOBr
-       AmOBr +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O
-        log_k           13.7637
-	-delta_H	-131.042	kJ/mol	# Calculated enthalpy of reaction	AmOBr
-#	Enthalpy of formation:	-893 kJ/mol
-        -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002
-#       -Range:  0-200
-
-AmOCl
-       AmOCl +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O
-        log_k           11.3229
-	-delta_H	-119.818	kJ/mol	# Calculated enthalpy of reaction	AmOCl
-#	Enthalpy of formation:	-949.8 kJ/mol
-        -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002
-#       -Range:  0-300
-
-AmOHCO3
-       AmOHCO3 +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           3.1519
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOHCO3
-#	Enthalpy of formation:	0 kcal/mol
-
-AmPO4(am)
-        AmPO4 +1.0000 H+  =  + 1.0000 Am+++ + 1.0000 HPO4--
-        log_k           -12.4682
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmPO4(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Amesite-14A
-        Mg4Al4Si2O10(OH)8 +20.0000 H+  =  + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O
-        log_k           75.4571
-	-delta_H	-797.098	kJ/mol	# Calculated enthalpy of reaction	Amesite-14A
-#	Enthalpy of formation:	-2145.67 kcal/mol
-        -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002
-#       -Range:  0-300
-
-Analcime
-        Na.96Al.96Si2.04O6:H2O +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O
-        log_k           6.1396
-	-delta_H	-75.844	kJ/mol	# Calculated enthalpy of reaction	Analcime
-#	Enthalpy of formation:	-3296.86 kJ/mol
-        -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005
-#       -Range:  0-300
-
-Analcime-dehy
-        Na.96Al.96Si2.04O6 +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2
-        log_k           12.5023
-	-delta_H	-116.641	kJ/mol	# Calculated enthalpy of reaction	Analcime-dehy
-#	Enthalpy of formation:	-2970.23 kJ/mol
-        -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005
-#       -Range:  0-300
-
-Anatase
-        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
-        log_k           -8.5586
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Anatase
-#	Enthalpy of formation:	-939.942 kJ/mol
-
-Andalusite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           15.9445
-	-delta_H	-235.233	kJ/mol	# Calculated enthalpy of reaction	Andalusite
-#	Enthalpy of formation:	-615.866 kcal/mol
-        -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002
-#       -Range:  0-300
-
-Andradite
-        Ca3Fe2(SiO4)3 +12.0000 H+  =  + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           33.3352
-	-delta_H	-301.173	kJ/mol	# Calculated enthalpy of reaction	Andradite
-#	Enthalpy of formation:	-1380.35 kcal/mol
-        -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005
-#       -Range:  0-300
-
-Anglesite
-        PbSO4  =  + 1.0000 Pb++ + 1.0000 SO4--
-        log_k           -7.8527
-	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
-#	Enthalpy of formation:	-219.87 kcal/mol
-        -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
-#       -Range:  0-300
-
-Anhydrite
-        CaSO4  =  + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -4.3064
-	-delta_H	-18.577	kJ/mol	# Calculated enthalpy of reaction	Anhydrite
-#	Enthalpy of formation:	-342.76 kcal/mol
-        -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001
-#       -Range:  0-300
-
-Annite
-        KFe3AlSi3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           29.4693
-	-delta_H	-259.964	kJ/mol	# Calculated enthalpy of reaction	Annite
-#	Enthalpy of formation:	-1232.19 kcal/mol
-        -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005
-#       -Range:  0-300
-
-Anorthite
-        CaAl2(SiO4)2 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O
-        log_k           26.5780
-	-delta_H	-303.039	kJ/mol	# Calculated enthalpy of reaction	Anorthite
-#	Enthalpy of formation:	-1007.55 kcal/mol
-        -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005
-#       -Range:  0-300
-
-Antarcticite
-        CaCl2:6H2O  =  + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           4.0933
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antarcticite
-#	Enthalpy of formation:	0 kcal/mol
-
-Anthophyllite
-        Mg7Si8O22(OH)2 +14.0000 H+  =  + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
-        log_k           66.7965
-	-delta_H	-483.486	kJ/mol	# Calculated enthalpy of reaction	Anthophyllite
-#	Enthalpy of formation:	-2888.75 kcal/mol
-        -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006
-#       -Range:  0-300
-
-Antigorite
-#        Mg48Si24O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
-        Mg48Si34O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O 
-        log_k           477.1943
-	-delta_H	-3364.43	kJ/mol	# Calculated enthalpy of reaction	Antigorite
-#	Enthalpy of formation:	-17070.9 kcal/mol
-        -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006
-#       -Range:  0-300
-
-Antlerite
-        Cu3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O
-        log_k           8.7302
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antlerite
-#	Enthalpy of formation:	0 kcal/mol
-
-Aphthitalite
-        NaK3(SO4)2  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+
-        log_k           -3.8878
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Aphthitalite
-#	Enthalpy of formation:	0 kcal/mol
-
-Aragonite
-        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
-        log_k           1.9931
-	-delta_H	-25.8027	kJ/mol	# Calculated enthalpy of reaction	Aragonite
-#	Enthalpy of formation:	-288.531 kcal/mol
-        -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001
-#       -Range:  0-300
-
-Arcanite
-        K2SO4  =  + 1.0000 SO4-- + 2.0000 K+
-        log_k           -1.8008
-	-delta_H	23.836	kJ/mol	# Calculated enthalpy of reaction	Arcanite
-#	Enthalpy of formation:	-1437.78 kJ/mol
-        -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001
-#       -Range:  0-300
-
-Arsenolite
-        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
-        log_k           -19.8365
-	-delta_H	84.5449	kJ/mol	# Calculated enthalpy of reaction	Arsenolite
-#	Enthalpy of formation:	-656.619 kJ/mol
-        -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002
-#       -Range:  0-200
-
-Arsenopyrite
-        FeAsS +1.5000 H2O +0.5000 H+  =  + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -14.4453
-	-delta_H	28.0187	kJ/mol	# Calculated enthalpy of reaction	Arsenopyrite
-#	Enthalpy of formation:	-42.079 kJ/mol
-
-Artinite
-        Mg2CO3(OH)2:3H2O +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O
-        log_k           19.6560
-	-delta_H	-130.432	kJ/mol	# Calculated enthalpy of reaction	Artinite
-#	Enthalpy of formation:	-698.043 kcal/mol
-        -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002
-#       -Range:  0-300
-
-As
-       As +1.5000 H2O +0.7500 O2  =  + 1.0000 H+ + 1.0000 H2AsO3-
-        log_k           42.7079
-	-delta_H	-276.937	kJ/mol	# Calculated enthalpy of reaction	As
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002
-#       -Range:  0-300
-
-As2O5
-       As2O5 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO4-
-        log_k           2.1601
-	-delta_H	-36.7345	kJ/mol	# Calculated enthalpy of reaction	As2O5
-#	Enthalpy of formation:	-924.87 kJ/mol
-        -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001
-#       -Range:  0-300
-
-As4O6(cubi)
-       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
-        log_k           -39.7636
-	-delta_H	169.792	kJ/mol	# Calculated enthalpy of reaction	As4O6(cubi)
-#	Enthalpy of formation:	-1313.94 kJ/mol
-        -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001
-#       -Range:  0-300
-
-As4O6(mono)
-       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
-        log_k           -40.0375
-	-delta_H	165.452	kJ/mol	# Calculated enthalpy of reaction	As4O6(mono)
-#	Enthalpy of formation:	-1309.6 kJ/mol
-        -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002
-#       -Range:  0-200
-
-Atacamite
-        Cu4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O
-        log_k           14.2836
-	-delta_H	-132.001	kJ/mol	# Calculated enthalpy of reaction	Atacamite
-#	Enthalpy of formation:	-1654.43 kJ/mol
-        -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002
-#       -Range:  0-200
-
-Au
-       Au +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Au+
-        log_k           -7.0864
-	-delta_H	59.189	kJ/mol	# Calculated enthalpy of reaction	Au
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001
-#       -Range:  0-300
-
-Autunite-H
-        H2(UO2)2(PO4)2  =  + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -25.3372
-	-delta_H	-31.8599	kJ/mol	# Calculated enthalpy of reaction	Autunite-H
-#	Enthalpy of formation:	-4590.3 kJ/mol
-        -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001
-#       -Range:  0-200
-
-Azurite
-        Cu3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++
-        log_k           9.1607
-	-delta_H	-122.298	kJ/mol	# Calculated enthalpy of reaction	Azurite
-#	Enthalpy of formation:	-390.1 kcal/mol
-        -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002
-#       -Range:  0-300
-
-B
-       B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3
-        log_k           109.5654
-	-delta_H	-636.677	kJ/mol	# Calculated enthalpy of reaction	B
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002
-#       -Range:  0-300
-
-B2O3
-       B2O3 +3.0000 H2O  =  + 2.0000 B(OH)3
-        log_k           5.5464
-	-delta_H	-18.0548	kJ/mol	# Calculated enthalpy of reaction	B2O3
-#	Enthalpy of formation:	-1273.5 kJ/mol
-        -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001
-#       -Range:  0-300
-
-Ba
-       Ba +2.0000 H+ +0.5000 O2  =  + 1.0000 Ba++ + 1.0000 H2O
-        log_k           141.2465
-	-delta_H	-817.416	kJ/mol	# Calculated enthalpy of reaction	Ba
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002
-#       -Range:  0-300
-
-Ba(OH)2:8H2O
-       Ba(OH)2:8H2O +2.0000 H+  =  + 1.0000 Ba++ + 10.0000 H2O
-        log_k           24.4911
-	-delta_H	-55.4363	kJ/mol	# Calculated enthalpy of reaction	Ba(OH)2:8H2O
-#	Enthalpy of formation:	-3340.59 kJ/mol
-        -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002
-#       -Range:  0-200
-
-Ba2Si3O8
-       Ba2Si3O8 +4.0000 H+  =  + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2
-        log_k           23.3284
-	-delta_H	-95.3325	kJ/mol	# Calculated enthalpy of reaction	Ba2Si3O8
-#	Enthalpy of formation:	-4184.73 kJ/mol
-        -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006
-#       -Range:  0-300
-
-Ba2SiO4
-       Ba2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O
-        log_k           44.5930
-	-delta_H	-237.206	kJ/mol	# Calculated enthalpy of reaction	Ba2SiO4
-#	Enthalpy of formation:	-2287.46 kJ/mol
-        -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005
-#       -Range:  0-300
-
-Ba2U2O7
-       Ba2U2O7 +6.0000 H+  =  + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O
-        log_k           36.4635
-	-delta_H	-243.057	kJ/mol	# Calculated enthalpy of reaction	Ba2U2O7
-#	Enthalpy of formation:	-3740 kJ/mol
-        -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002
-#       -Range:  0-200
-
-Ba3UO6
-       Ba3UO6 +8.0000 H+  =  + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O
-        log_k           94.3709
-	-delta_H	-564.885	kJ/mol	# Calculated enthalpy of reaction	Ba3UO6
-#	Enthalpy of formation:	-3210.4 kJ/mol
-        -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002
-#       -Range:  0-200
-
-BaBr2
-       BaBr2  =  + 1.0000 Ba++ + 2.0000 Br-
-        log_k           5.6226
-	-delta_H	-23.3887	kJ/mol	# Calculated enthalpy of reaction	BaBr2
-#	Enthalpy of formation:	-757.262 kJ/mol
-        -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001
-#       -Range:  0-300
-
-BaBr2:2H2O
-       BaBr2:2H2O  =  + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O
-        log_k           2.2523
-	-delta_H	13.7736	kJ/mol	# Calculated enthalpy of reaction	BaBr2:2H2O
-#	Enthalpy of formation:	-1366.1 kJ/mol
-        -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001
-#       -Range:  0-200
-
-BaCl2
-       BaCl2  =  + 1.0000 Ba++ + 2.0000 Cl-
-        log_k           2.2707
-	-delta_H	-13.1563	kJ/mol	# Calculated enthalpy of reaction	BaCl2
-#	Enthalpy of formation:	-858.647 kJ/mol
-        -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001
-#       -Range:  0-300
-
-BaCl2:2H2O
-       BaCl2:2H2O  =  + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           0.2459
-	-delta_H	16.558	kJ/mol	# Calculated enthalpy of reaction	BaCl2:2H2O
-#	Enthalpy of formation:	-1460.04 kJ/mol
-        -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001
-#       -Range:  0-300
-
-BaCl2:H2O
-       BaCl2:H2O  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl-
-        log_k           0.8606
-	-delta_H	2.89433	kJ/mol	# Calculated enthalpy of reaction	BaCl2:H2O
-#	Enthalpy of formation:	-1160.54 kJ/mol
-        -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001
-#       -Range:  0-300
-
-BaCrO4
-       BaCrO4  =  + 1.0000 Ba++ + 1.0000 CrO4--
-        log_k           -9.9322
-	-delta_H	25.9115	kJ/mol	# Calculated enthalpy of reaction	BaCrO4
-#	Enthalpy of formation:	-345.293 kcal/mol
-        -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001
-#       -Range:  0-200
-
-BaHPO4
-       BaHPO4  =  + 1.0000 Ba++ + 1.0000 HPO4--
-        log_k           -7.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaHPO4
-#	Enthalpy of formation:	0 kcal/mol
-
-BaI2
-       BaI2  =  + 1.0000 Ba++ + 2.0000 I-
-        log_k           11.0759
-	-delta_H	-46.0408	kJ/mol	# Calculated enthalpy of reaction	BaI2
-#	Enthalpy of formation:	-605.408 kJ/mol
-        -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001
-#       -Range:  0-300
-
-BaMnO4
-       BaMnO4  =  + 1.0000 Ba++ + 1.0000 MnO4--
-        log_k           -10.0900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaMnO4
-#	Enthalpy of formation:	0 kcal/mol
-
-BaO
-       BaO +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O
-        log_k           47.8036
-	-delta_H	-270.184	kJ/mol	# Calculated enthalpy of reaction	BaO
-#	Enthalpy of formation:	-553.298 kJ/mol
-        -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004
-#       -Range:  0-300
-
-BaS
-       BaS +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HS-
-        log_k           16.2606
-	-delta_H	-92.9004	kJ/mol	# Calculated enthalpy of reaction	BaS
-#	Enthalpy of formation:	-460.852 kJ/mol
-        -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002
-#       -Range:  0-300
-
-BaSeO3
-       BaSeO3  =  + 1.0000 Ba++ + 1.0000 SeO3--
-        log_k           -6.5615
-	-delta_H	-5.5658	kJ/mol	# Calculated enthalpy of reaction	BaSeO3
-#	Enthalpy of formation:	-1041.27 kJ/mol
-        -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001
-#       -Range:  0-200
-
-BaSeO4
-       BaSeO4  =  + 1.0000 Ba++ + 1.0000 SeO4--
-        log_k           -7.4468
-	-delta_H	8.9782	kJ/mol	# Calculated enthalpy of reaction	BaSeO4
-#	Enthalpy of formation:	-1145.77 kJ/mol
-        -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001
-#       -Range:  0-200
-
-BaSiF6
-       BaSiF6 +2.0000 H2O  =  + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F-
-        log_k           -32.1771
-	-delta_H	95.2555	kJ/mol	# Calculated enthalpy of reaction	BaSiF6
-#	Enthalpy of formation:	-2951.01 kJ/mol
-        -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006
-#       -Range:  0-200
-
-BaU2O7
-       BaU2O7 +6.0000 H+  =  + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           21.9576
-	-delta_H	-195.959	kJ/mol	# Calculated enthalpy of reaction	BaU2O7
-#	Enthalpy of formation:	-3237.2 kJ/mol
-        -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002
-#       -Range:  0-200
-
-BaUO4
-       BaUO4 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           18.2007
-	-delta_H	-134.521	kJ/mol	# Calculated enthalpy of reaction	BaUO4
-#	Enthalpy of formation:	-1993.8 kJ/mol
-        -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002
-#       -Range:  0-300
-
-BaZrO3
-       BaZrO3 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++
-        log_k           -94.4716
-	-delta_H	505.159	kJ/mol	# Calculated enthalpy of reaction	BaZrO3
-#	Enthalpy of formation:	-578.27 kcal/mol
-        -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002
-#       -Range:  0-200
-
-Baddeleyite
-        ZrO2 +2.0000 H+  =  + 1.0000 Zr(OH)2++
-        log_k           -7.9405
-	-delta_H	9.72007	kJ/mol	# Calculated enthalpy of reaction	Baddeleyite
-#	Enthalpy of formation:	-1100.56 kJ/mol
-        -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001
-#       -Range:  0-300
-
-Barite
-        BaSO4  =  + 1.0000 Ba++ + 1.0000 SO4--
-        log_k           -9.9711
-	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
-#	Enthalpy of formation:	-352.1 kcal/mol
-        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
-#       -Range:  0-300
-
-Barytocalcite
-        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
-        log_k           2.7420
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Barytocalcite
-#	Enthalpy of formation:	0 kcal/mol
-
-Bassanite
-        CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -3.6615
-	-delta_H	-18.711	kJ/mol	# Calculated enthalpy of reaction	Bassanite
-#	Enthalpy of formation:	-1576.89 kJ/mol
-        -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001
-#       -Range:  0-300
-
-Bassetite
-        Fe(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -17.7240
-	-delta_H	-114.841	kJ/mol	# Calculated enthalpy of reaction	Bassetite
-#	Enthalpy of formation:	-1099.33 kcal/mol
-        -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001
-#       -Range:  0-200
-
-Be
-       Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O
-        log_k           104.2077
-	-delta_H	-662.608	kJ/mol	# Calculated enthalpy of reaction	Be
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002
-#       -Range:  0-300
-
-Be13U
-       Be13U +30.0000 H+ +7.5000 O2  =  + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O
-        log_k           1504.5350
-	-delta_H	-9601.04	kJ/mol	# Calculated enthalpy of reaction	Be13U
-#	Enthalpy of formation:	-163.6 kJ/mol
-        -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003
-#       -Range:  0-300
-
-Beidellite-Ca
-        Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.5914
-	-delta_H	-162.403	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Ca
-#	Enthalpy of formation:	-1370.66 kcal/mol
-        -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006
-#       -Range:  0-300
-
-Beidellite-Cs
-        Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+  =  + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.1541
-	-delta_H	-149.851	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Cs
-#	Enthalpy of formation:	-1372.59 kcal/mol
-        -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006
-#       -Range:  0-300
-
-Beidellite-H
-        H.33Al2.33Si3.67O10(OH)2 +6.9900 H+  =  + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           4.6335
-	-delta_H	-154.65	kJ/mol	# Calculated enthalpy of reaction	Beidellite-H
-#	Enthalpy of formation:	-1351.1 kcal/mol
-        -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006
-#       -Range:  0-300
-
-Beidellite-K
-        K.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.3088
-	-delta_H	-150.834	kJ/mol	# Calculated enthalpy of reaction	Beidellite-K
-#	Enthalpy of formation:	-1371.9 kcal/mol
-        -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006
-#       -Range:  0-300
-
-Beidellite-Mg
-        Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.5537
-	-delta_H	-165.455	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Mg
-#	Enthalpy of formation:	-1366.89 kcal/mol
-        -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006
-#       -Range:  0-300
-
-Beidellite-Na
-        Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.6473
-	-delta_H	-155.846	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Na
-#	Enthalpy of formation:	-1369.76 kcal/mol
-        -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006
-#       -Range:  0-300
-
-Berlinite
-        AlPO4 +1.0000 H+  =  + 1.0000 Al+++ + 1.0000 HPO4--
-        log_k           -7.2087
-	-delta_H	-96.6313	kJ/mol	# Calculated enthalpy of reaction	Berlinite
-#	Enthalpy of formation:	-1733.85 kJ/mol
-        -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002
-#       -Range:  0-300
-
-Berndtite
-        SnS2  =  + 1.0000 S2-- + 1.0000 Sn++
-        log_k           -34.5393
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Berndtite
-#	Enthalpy of formation:	-36.7 kcal/mol
-        -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001
-#       -Range:  0-300
-
-Bieberite
-        CoSO4:7H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.5051
-	-delta_H	11.3885	kJ/mol	# Calculated enthalpy of reaction	Bieberite
-#	Enthalpy of formation:	-2980.02 kJ/mol
-        -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002
-#       -Range:  0-300
-
-Birnessite
-        Mn8O14:5H2O +4.0000 H+  =  + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O
-        log_k           -85.5463
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Birnessite
-#	Enthalpy of formation:	0 kcal/mol
-
-Bischofite
-        MgCl2:6H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           4.3923
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bischofite
-#	Enthalpy of formation:	0 kcal/mol
-
-Bixbyite
-        Mn2O3 +6.0000 H+  =  + 2.0000 Mn+++ + 3.0000 H2O
-        log_k           -0.9655
-	-delta_H	-190.545	kJ/mol	# Calculated enthalpy of reaction	Bixbyite
-#	Enthalpy of formation:	-958.971 kJ/mol
-        -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002
-#       -Range:  0-300
-
-Bloedite
-        Na2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -2.4777
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bloedite
-#	Enthalpy of formation:	0 kcal/mol
-
-Boehmite
-        AlO2H +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
-        log_k           7.5642
-	-delta_H	-113.282	kJ/mol	# Calculated enthalpy of reaction	Boehmite
-#	Enthalpy of formation:	-238.24 kcal/mol
-        -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002
-#       -Range:  0-300
-
-Boltwoodite
-        K(H3O)(UO2)SiO4 +3.0000 H+  =  + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
-        log_k           14.8857
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite
-#	Enthalpy of formation:	0 kcal/mol
-
-Boltwoodite-Na
-        Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+  =  + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O
-        log_k           14.5834
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite-Na
-#	Enthalpy of formation:	0 kcal/mol
-
-Borax
-        Na2(B4O5(OH)4):8H2O +2.0000 H+  =  + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O
-        log_k           12.0395
-	-delta_H	80.5145	kJ/mol	# Calculated enthalpy of reaction	Borax
-#	Enthalpy of formation:	-6288.44 kJ/mol
-        -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001
-#       -Range:  0-300
-
-Boric_acid
-        B(OH)3  =  + 1.0000 B(OH)3
-        log_k           -0.1583
-	-delta_H	20.2651	kJ/mol	# Calculated enthalpy of reaction	Boric_acid
-#	Enthalpy of formation:	-1094.8 kJ/mol
-        -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001
-#       -Range:  0-300
-
-Bornite
-        Cu5FeS4 +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS-
-        log_k           -102.4369
-	-delta_H	530.113	kJ/mol	# Calculated enthalpy of reaction	Bornite
-#	Enthalpy of formation:	-79.922 kcal/mol
-        -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002
-#       -Range:  0-300
-
-Brezinaite
-        Cr3S4 +4.0000 H+  =  + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS-
-        log_k           2.7883
-	-delta_H	-216.731	kJ/mol	# Calculated enthalpy of reaction	Brezinaite
-#	Enthalpy of formation:	-111.9 kcal/mol
-        -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002
-#       -Range:  0-200
-
-Brochantite
-        Cu4(SO4)(OH)6 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O
-        log_k           15.4363
-	-delta_H	-163.158	kJ/mol	# Calculated enthalpy of reaction	Brochantite
-#	Enthalpy of formation:	-2198.72 kJ/mol
-        -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002
-#       -Range:  0-200
-
-Bromellite
-        BeO +2.0000 H+  =  + 1.0000 Be++ + 1.0000 H2O
-        log_k           1.1309
-	-delta_H	-59.2743	kJ/mol	# Calculated enthalpy of reaction	Bromellite
-#	Enthalpy of formation:	-609.4 kJ/mol
-        -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002
-#       -Range:  0-300
-
-Brucite
-        Mg(OH)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 H2O
-        log_k           16.2980
-	-delta_H	-111.34	kJ/mol	# Calculated enthalpy of reaction	Brucite
-#	Enthalpy of formation:	-221.39 kcal/mol
-        -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002
-#       -Range:  0-300
-
-Brushite
-        CaHPO4:2H2O  =  + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O
-        log_k           6.5500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Brushite
-#	Enthalpy of formation:	0 kcal/mol
-
-Bunsenite
-        NiO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Ni++
-        log_k           12.4719
-	-delta_H	-100.069	kJ/mol	# Calculated enthalpy of reaction	Bunsenite
-#	Enthalpy of formation:	-57.3 kcal/mol
-        -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002
-#       -Range:  0-300
-
-Burkeite
-        Na6CO3(SO4)2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+
-        log_k           9.4866
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Burkeite
-#	Enthalpy of formation:	0 kcal/mol
-
-C
-       C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3-
-        log_k           64.1735
-	-delta_H	-391.961	kJ/mol	# Calculated enthalpy of reaction	C
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002
-#       -Range:  0-300
-
-Ca
-       Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O
-        log_k           139.8465
-	-delta_H	-822.855	kJ/mol	# Calculated enthalpy of reaction	Ca
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005
-#       -Range:  0-300
-
-Ca-Al_Pyroxene
-        CaAl2SiO6 +8.0000 H+  =  + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O
-        log_k           35.9759
-	-delta_H	-361.548	kJ/mol	# Calculated enthalpy of reaction	Ca-Al_Pyroxene
-#	Enthalpy of formation:	-783.793 kcal/mol
-        -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002
-#       -Range:  0-300
-
-Ca2Al2O5:8H2O
-       Ca2Al2O5:8H2O +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O
-        log_k           59.5687
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Al2O5:8H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Ca2Cl2(OH)2:H2O
-       Ca2Cl2(OH)2:H2O +2.0000 H+  =  + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O
-        log_k           26.2901
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Cl2(OH)2:H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Ca2V2O7
-       Ca2V2O7 +1.0000 H2O  =  + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4---
-        log_k           -39.7129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2V2O7
-#	Enthalpy of formation:	-3083.46 kJ/mol
-
-Ca3(AsO4)2
-       Ca3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Ca++
-        log_k           17.8160
-	-delta_H	-149.956	kJ/mol	# Calculated enthalpy of reaction	Ca3(AsO4)2
-#	Enthalpy of formation:	-3298.41 kJ/mol
-        -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002
-#       -Range:  0-200
-
-Ca3Al2O6
-       Ca3Al2O6 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O
-        log_k           113.0460
-	-delta_H	-833.336	kJ/mol	# Calculated enthalpy of reaction	Ca3Al2O6
-#	Enthalpy of formation:	-857.492 kcal/mol
-        -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002
-#       -Range:  0-200
-
-Ca3V2O8
-       Ca3V2O8  =  + 2.0000 VO4--- + 3.0000 Ca++
-        log_k           -18.3234
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca3V2O8
-#	Enthalpy of formation:	-3778.1 kJ/mol
-
-Ca4Al2Fe2O10
-       Ca4Al2Fe2O10 +20.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O
-        log_k           140.5050
-	-delta_H	-1139.86	kJ/mol	# Calculated enthalpy of reaction	Ca4Al2Fe2O10
-#	Enthalpy of formation:	-1211 kcal/mol
-        -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003
-#       -Range:  0-200
-
-Ca4Al2O7:13H2O
-       Ca4Al2O7:13H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O
-        log_k           107.2537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:13H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Ca4Al2O7:19H2O
-       Ca4Al2O7:19H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O
-        log_k           103.6812
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:19H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Ca4Cl2(OH)6:13H2O
-       Ca4Cl2(OH)6:13H2O +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O
-        log_k           68.3283
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Cl2(OH)6:13H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-CaAl2O4
-       CaAl2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           46.9541
-	-delta_H	-436.952	kJ/mol	# Calculated enthalpy of reaction	CaAl2O4
-#	Enthalpy of formation:	-555.996 kcal/mol
-        -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002
-#       -Range:  0-300
-
-CaAl2O4:10H2O
-       CaAl2O4:10H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O
-        log_k           37.9946
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaAl2O4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-CaAl4O7
-       CaAl4O7 +14.0000 H+  =  + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O
-        log_k           68.6138
-	-delta_H	-718.464	kJ/mol	# Calculated enthalpy of reaction	CaAl4O7
-#	Enthalpy of formation:	-951.026 kcal/mol
-        -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002
-#       -Range:  0-200
-
-CaSO4:0.5H2O(beta)
-       CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -3.4934
-	-delta_H	-20.804	kJ/mol	# Calculated enthalpy of reaction	CaSO4:0.5H2O(beta)
-#	Enthalpy of formation:	-1574.8 kJ/mol
-        -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001
-#       -Range:  0-300
-
-CaSeO3:2H2O
-       CaSeO3:2H2O  =  + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -4.6213
-	-delta_H	-14.1963	kJ/mol	# Calculated enthalpy of reaction	CaSeO3:2H2O
-#	Enthalpy of formation:	-384.741 kcal/mol
-        -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001
-#       -Range:  0-200
-
-CaSeO4
-       CaSeO4  =  + 1.0000 Ca++ + 1.0000 SeO4--
-        log_k           -3.0900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaSeO4
-#	Enthalpy of formation:	0 kcal/mol
-
-CaUO4
-       CaUO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           15.9420
-	-delta_H	-131.46	kJ/mol	# Calculated enthalpy of reaction	CaUO4
-#	Enthalpy of formation:	-2002.3 kJ/mol
-        -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002
-#       -Range:  0-300
-
-CaV2O6
-       CaV2O6 +2.0000 H2O  =  + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -51.3617
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaV2O6
-#	Enthalpy of formation:	-2329.34 kJ/mol
-
-CaZrO3
-       CaZrO3 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++
-        log_k           -148.5015
-	-delta_H	801.282	kJ/mol	# Calculated enthalpy of reaction	CaZrO3
-#	Enthalpy of formation:	-650.345 kcal/mol
-        -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002
-#       -Range:  0-200
-
-Cadmoselite
-        CdSe  =  + 1.0000 Cd++ + 1.0000 Se--
-        log_k           -33.8428
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cadmoselite
-#	Enthalpy of formation:	-34.6 kcal/mol
-        -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001
-#       -Range:  0-300
-
-Calcite
-        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
-        log_k           1.8487
-	-delta_H	-25.7149	kJ/mol	# Calculated enthalpy of reaction	Calcite
-#	Enthalpy of formation:	-288.552 kcal/mol
-        -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001
-#       -Range:  0-300
-
-Calomel
-        Hg2Cl2  =  + 1.0000 Hg2++ + 2.0000 Cl-
-        log_k           -17.8241
-	-delta_H	98.0267	kJ/mol	# Calculated enthalpy of reaction	Calomel
-#	Enthalpy of formation:	-265.37 kJ/mol
-        -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001
-#       -Range:  0-200
-
-Carnallite
-        KMgCl3:6H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O
-        log_k           4.2721
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnallite
-#	Enthalpy of formation:	0 kcal/mol
-
-Carnotite
-        K2(UO2)2(VO4)2  =  + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4---
-        log_k           -56.3811
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnotite
-#	Enthalpy of formation:	-1173.9 kJ/mol
-
-Cassiterite
-        SnO2 +2.0000 H+  =  + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++
-        log_k           -46.1203
-	-delta_H	280.048	kJ/mol	# Calculated enthalpy of reaction	Cassiterite
-#	Enthalpy of formation:	-138.8 kcal/mol
-        -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002
-#       -Range:  0-300
-
-Cattierite
-        CoS2  =  + 1.0000 Co++ + 1.0000 S2--
-        log_k           -29.9067
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cattierite
-#	Enthalpy of formation:	-36.589 kcal/mol
-        -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001
-#       -Range:  0-300
-
-Cd
-       Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O
-        log_k           56.6062
-	-delta_H	-355.669	kJ/mol	# Calculated enthalpy of reaction	Cd
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004
-#       -Range:  0-300
-
-Cd(BO2)2
-       Cd(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Cd++ + 2.0000 B(OH)3
-        log_k           9.8299
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(BO2)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Cd(IO3)2
-       Cd(IO3)2  =  + 1.0000 Cd++ + 2.0000 IO3-
-        log_k           -7.5848
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(IO3)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Cd(OH)2
-       Cd(OH)2 +2.0000 H+  =  + 1.0000 Cd++ + 2.0000 H2O
-        log_k           13.7382
-	-delta_H	-87.0244	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)2
-#	Enthalpy of formation:	-560.55 kJ/mol
-        -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002
-#       -Range:  0-200
-
-Cd(OH)Cl
-       Cd(OH)Cl +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O
-        log_k           3.5435
-	-delta_H	-30.3888	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)Cl
-#	Enthalpy of formation:	-498.427 kJ/mol
-        -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001
-#       -Range:  0-200
-
-Cd3(AsO4)2
-       Cd3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cd++
-        log_k           4.0625
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(AsO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Cd3(PO4)2
-       Cd3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cd++
-        log_k           -7.8943
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Cd3(SO4)(OH)4
-       Cd3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O
-        log_k           22.5735
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)(OH)4
-#	Enthalpy of formation:	0 kcal/mol
-
-Cd3(SO4)2(OH)2
-       Cd3(SO4)2(OH)2 +2.0000 H+  =  + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++
-        log_k           6.7180
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)2(OH)2
-#	Enthalpy of formation:	0 kcal/mol
-
-CdBr2
-       CdBr2  =  + 1.0000 Cd++ + 2.0000 Br-
-        log_k           -1.8470
-	-delta_H	-2.67548	kJ/mol	# Calculated enthalpy of reaction	CdBr2
-#	Enthalpy of formation:	-316.229 kJ/mol
-        -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001
-#       -Range:  0-200
-
-CdBr2:4H2O
-       CdBr2:4H2O  =  + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O
-        log_k           -2.3378
-	-delta_H	30.2812	kJ/mol	# Calculated enthalpy of reaction	CdBr2:4H2O
-#	Enthalpy of formation:	-1492.54 kJ/mol
-        -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001
-#       -Range:  0-200
-
-CdCl2
-       CdCl2  =  + 1.0000 Cd++ + 2.0000 Cl-
-        log_k           -0.6474
-	-delta_H	-18.5391	kJ/mol	# Calculated enthalpy of reaction	CdCl2
-#	Enthalpy of formation:	-391.518 kJ/mol
-        -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000
-#       -Range:  0-200
-
-CdCl2(NH3)2
-       CdCl2(NH3)2  =  + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3
-        log_k           -8.7864
-	-delta_H	63.534	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)2
-#	Enthalpy of formation:	-636.265 kJ/mol
-        -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001
-#       -Range:  0-200
-
-CdCl2(NH3)4
-       CdCl2(NH3)4  =  + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3
-        log_k           -6.8044
-	-delta_H	81.7931	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)4
-#	Enthalpy of formation:	-817.198 kJ/mol
-        -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001
-#       -Range:  0-200
-
-CdCl2(NH3)6
-       CdCl2(NH3)6  =  + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3
-        log_k           -4.7524
-	-delta_H	97.2971	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)6
-#	Enthalpy of formation:	-995.376 kJ/mol
-        -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000
-#       -Range:  0-200
-
-CdCl2:H2O
-       CdCl2:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl-
-        log_k           -1.6747
-	-delta_H	-7.44943	kJ/mol	# Calculated enthalpy of reaction	CdCl2:H2O
-#	Enthalpy of formation:	-688.446 kJ/mol
-        -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000
-#       -Range:  0-200
-
-CdCr2O4
-       CdCr2O4 +8.0000 H+  =  + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           14.9969
-	-delta_H	-255.676	kJ/mol	# Calculated enthalpy of reaction	CdCr2O4
-#	Enthalpy of formation:	-344.3 kcal/mol
-        -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002
-#       -Range:  0-200
-
-CdF2
-       CdF2  =  + 1.0000 Cd++ + 2.0000 F-
-        log_k           -1.1464
-	-delta_H	-46.064	kJ/mol	# Calculated enthalpy of reaction	CdF2
-#	Enthalpy of formation:	-700.529 kJ/mol
-        -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001
-#       -Range:  0-200
-
-CdI2
-       CdI2  =  + 1.0000 Cd++ + 2.0000 I-
-        log_k           -3.4825
-	-delta_H	13.7164	kJ/mol	# Calculated enthalpy of reaction	CdI2
-#	Enthalpy of formation:	-203.419 kJ/mol
-        -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001
-#       -Range:  0-200
-
-CdS
-       CdS +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HS-
-        log_k           -15.9095
-	-delta_H	70.1448	kJ/mol	# Calculated enthalpy of reaction	CdS
-#	Enthalpy of formation:	-162.151 kJ/mol
-        -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001
-#       -Range:  0-200
-
-CdSO4
-       CdSO4  =  + 1.0000 Cd++ + 1.0000 SO4--
-        log_k           -0.1061
-	-delta_H	-52.1304	kJ/mol	# Calculated enthalpy of reaction	CdSO4
-#	Enthalpy of formation:	-933.369 kJ/mol
-        -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001
-#       -Range:  0-200
-
-CdSO4:2.667H2O
-       CdSO4:2.667H2O  =  + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O
-        log_k           -1.8015
-	-delta_H	-18.5302	kJ/mol	# Calculated enthalpy of reaction	CdSO4:2.667H2O
-#	Enthalpy of formation:	-1729.3 kJ/mol
-        -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001
-#       -Range:  0-200
-
-CdSO4:H2O
-       CdSO4:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4--
-        log_k           -1.6529
-	-delta_H	-31.6537	kJ/mol	# Calculated enthalpy of reaction	CdSO4:H2O
-#	Enthalpy of formation:	-1239.68 kJ/mol
-        -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001
-#       -Range:  0-200
-
-CdSeO3
-       CdSeO3  =  + 1.0000 Cd++ + 1.0000 SeO3--
-        log_k           -8.8086
-	-delta_H	-9.92156	kJ/mol	# Calculated enthalpy of reaction	CdSeO3
-#	Enthalpy of formation:	-575.169 kJ/mol
-        -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001
-#       -Range:  0-200
-
-CdSeO4
-       CdSeO4  =  + 1.0000 Cd++ + 1.0000 SeO4--
-        log_k           -2.2132
-	-delta_H	-41.9836	kJ/mol	# Calculated enthalpy of reaction	CdSeO4
-#	Enthalpy of formation:	-633.063 kJ/mol
-        -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001
-#       -Range:  0-200
-
-CdSiO3
-       CdSiO3 +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           7.5136
-	-delta_H	-50.3427	kJ/mol	# Calculated enthalpy of reaction	CdSiO3
-#	Enthalpy of formation:	-1189.09 kJ/mol
-        -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001
-#       -Range:  0-200
-
-Ce
-       Ce +3.0000 H+ +0.7500 O2  =  + 1.0000 Ce+++ + 1.5000 H2O
-        log_k           182.9563
-	-delta_H	-1120.06	kJ/mol	# Calculated enthalpy of reaction	Ce
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002
-#       -Range:  0-300
-
-Ce(OH)3
-       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
-        log_k           19.8852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Ce(OH)3(am)
-       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
-        log_k           21.1852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Ce2(CO3)3:8H2O
-       Ce2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O
-        log_k           -4.1136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(CO3)3:8H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Ce2O3
-       Ce2O3 +6.0000 H+  =  + 2.0000 Ce+++ + 3.0000 H2O
-        log_k           62.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-Ce3(PO4)4
-       Ce3(PO4)4 +4.0000 H+  =  + 3.0000 Ce++++ + 4.0000 HPO4--
-        log_k           -40.8127
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(PO4)4
-#	Enthalpy of formation:	0 kcal/mol
-
-CeF3:.5H2O
-       CeF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F-
-        log_k           -18.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-CeO2
-       CeO2 +4.0000 H+  =  + 1.0000 Ce++++ + 2.0000 H2O
-        log_k           -8.1600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeO2
-#	Enthalpy of formation:	0 kcal/mol
-
-CePO4:10H2O
-       CePO4:10H2O +1.0000 H+  =  + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -12.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Celadonite
-        KMgAlSi4O10(OH)2 +6.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           7.4575
-	-delta_H	-74.3957	kJ/mol	# Calculated enthalpy of reaction	Celadonite
-#	Enthalpy of formation:	-1394.9 kcal/mol
-        -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006
-#       -Range:  0-300
-
-Celestite
-        SrSO4  =  + 1.0000 SO4-- + 1.0000 Sr++
-        log_k           -5.6771
-	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
-#	Enthalpy of formation:	-347.3 kcal/mol
-        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
-#       -Range:  0-300
-
-Cerussite
-        PbCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Pb++
-        log_k           -3.2091
-	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
-#	Enthalpy of formation:	-168 kcal/mol
-        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
-#       -Range:  0-300
-
-Chalcanthite
-        CuSO4:5H2O  =  + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O
-        log_k           -2.6215
-	-delta_H	6.57556	kJ/mol	# Calculated enthalpy of reaction	Chalcanthite
-#	Enthalpy of formation:	-2279.68 kJ/mol
-        -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001
-#       -Range:  0-200
-
-Chalcedony
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.7281
-	-delta_H	31.4093	kJ/mol	# Calculated enthalpy of reaction	Chalcedony
-#	Enthalpy of formation:	-217.282 kcal/mol
-        -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005
-#       -Range:  0-300
-
-Chalcocite
-        Cu2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Cu+
-        log_k           -34.7342
-	-delta_H	206.748	kJ/mol	# Calculated enthalpy of reaction	Chalcocite
-#	Enthalpy of formation:	-19 kcal/mol
-        -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002
-#       -Range:  0-300
-
-Chalcocyanite
-        CuSO4  =  + 1.0000 Cu++ + 1.0000 SO4--
-        log_k           2.9239
-	-delta_H	-72.5128	kJ/mol	# Calculated enthalpy of reaction	Chalcocyanite
-#	Enthalpy of formation:	-771.4 kJ/mol
-        -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001
-#       -Range:  0-200
-
-Chalcopyrite
-        CuFeS2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS-
-        log_k           -32.5638
-	-delta_H	127.206	kJ/mol	# Calculated enthalpy of reaction	Chalcopyrite
-#	Enthalpy of formation:	-44.453 kcal/mol
-        -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001
-#       -Range:  0-300
-
-Chamosite-7A
-        Fe2Al2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O
-        log_k           32.8416
-	-delta_H	-364.213	kJ/mol	# Calculated enthalpy of reaction	Chamosite-7A
-#	Enthalpy of formation:	-902.407 kcal/mol
-        -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002
-#       -Range:  0-300
-
-Chlorargyrite
-        AgCl  =  + 1.0000 Ag+ + 1.0000 Cl-
-        log_k           -9.7453
-	-delta_H	65.739	kJ/mol	# Calculated enthalpy of reaction	Chlorargyrite
-#	Enthalpy of formation:	-30.37 kcal/mol
-        -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001
-#       -Range:  0-300
-
-Chloromagnesite
-        MgCl2  =  + 1.0000 Mg++ + 2.0000 Cl-
-        log_k           21.8604
-	-delta_H	-158.802	kJ/mol	# Calculated enthalpy of reaction	Chloromagnesite
-#	Enthalpy of formation:	-641.317 kJ/mol
-        -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002
-#       -Range:  0-300
-
-Chromite
-        FeCr2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           15.1685
-	-delta_H	-267.755	kJ/mol	# Calculated enthalpy of reaction	Chromite
-#	Enthalpy of formation:	-1444.83 kJ/mol
-        -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002
-#       -Range:  0-300
-
-Chrysocolla
-        CuSiH4O5 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O
-        log_k           6.2142
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Chrysocolla
-#	Enthalpy of formation:	0 kcal/mol
-
-Chrysotile
-        Mg3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O
-        log_k           31.1254
-	-delta_H	-218.041	kJ/mol	# Calculated enthalpy of reaction	Chrysotile
-#	Enthalpy of formation:	-1043.12 kcal/mol
-        -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005
-#       -Range:  0-300
-
-Cinnabar
-        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
-        log_k           -38.9666
-	-delta_H	207.401	kJ/mol	# Calculated enthalpy of reaction	Cinnabar
-#	Enthalpy of formation:	-12.75 kcal/mol
-        -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002
-#       -Range:  0-300
-
-Claudetite
-        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
-        log_k           -19.7647
-	-delta_H	82.3699	kJ/mol	# Calculated enthalpy of reaction	Claudetite
-#	Enthalpy of formation:	-654.444 kJ/mol
-        -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001
-#       -Range:  0-300
-
-Clausthalite
-        PbSe  =  + 1.0000 Pb++ + 1.0000 Se--
-        log_k           -36.2531
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clausthalite
-#	Enthalpy of formation:	-102.9 kJ/mol
-        -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002
-#       -Range:  0-300
-
-Clinochalcomenite
-        CuSeO3:2H2O  =  + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -6.7873
-	-delta_H	-31.6645	kJ/mol	# Calculated enthalpy of reaction	Clinochalcomenite
-#	Enthalpy of formation:	-235.066 kcal/mol
-        -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001
-#       -Range:  0-200
-
-Clinochlore-14A
-        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
-        log_k           67.2391
-	-delta_H	-612.379	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-14A
-#	Enthalpy of formation:	-2116.96 kcal/mol
-        -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002
-#       -Range:  0-300
-
-Clinochlore-7A
-        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
-        log_k           70.6124
-	-delta_H	-628.14	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-7A
-#	Enthalpy of formation:	-2113.2 kcal/mol
-        -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002
-#       -Range:  0-300
-
-Clinoptilolite
-#        Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O
-         Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O 
-        log_k           -9.7861
-	-delta_H	-20.8784	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite
-#	Enthalpy of formation:	-20587.8 kJ/mol
-        -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006
-#       -Range:  0-300
-
-Clinoptilolite-Ca
-        Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.0095
-	-delta_H	-74.6745	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Ca
-#	Enthalpy of formation:	-4919.84 kcal/mol
-        -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006
-#       -Range:  0-300
-
-Clinoptilolite-Cs
-        Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -13.0578
-	-delta_H	96.9005	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Cs
-#	Enthalpy of formation:	-4949.65 kcal/mol
-        -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006
-#       -Range:  0-300
-
-Clinoptilolite-K
-        K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -10.9485
-	-delta_H	67.4862	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-K
-#	Enthalpy of formation:	-4937.77 kcal/mol
-        -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006
-#       -Range:  0-300
-
-Clinoptilolite-NH4
-        (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -42.4791
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-NH4
-#	Enthalpy of formation:	0 kcal/mol
-
-Clinoptilolite-Na
-        Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.1363
-	-delta_H	2.32824	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Na
-#	Enthalpy of formation:	-4912.36 kcal/mol
-        -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006
-#       -Range:  0-300
-
-Clinoptilolite-Sr
-        Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.1491
-	-delta_H	-66.2129	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Sr
-#	Enthalpy of formation:	-4925.1 kcal/mol
-        -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy
-#        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2
-        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 
-        log_k           25.8490
-	-delta_H	-276.592	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy
-#	Enthalpy of formation:	-17210.2 kJ/mol
-        -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy-Ca
-        Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.6255
-	-delta_H	-329.278	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Ca
-#	Enthalpy of formation:	-4112.83 kcal/mol
-        -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy-Cs
-        Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           22.5771
-	-delta_H	-164.837	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Cs
-#	Enthalpy of formation:	-4140.93 kcal/mol
-        -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy-K
-        K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           24.6865
-	-delta_H	-191.289	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-K
-#	Enthalpy of formation:	-4129.76 kcal/mol
-        -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy-NH4
-        (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2
-        log_k           -6.8441
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-dehy-NH4
-#	Enthalpy of formation:	0 kcal/mol
-
-Clinoptilolite-dehy-Na
-        Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.4987
-	-delta_H	-253.798	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Na
-#	Enthalpy of formation:	-4104.98 kcal/mol
-        -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006
-#       -Range:  0-300
-
-Clinoptilolite-dehy-Sr
-        Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.4859
-	-delta_H	-321.553	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Sr
-#	Enthalpy of formation:	-4117.92 kcal/mol
-        -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006
-#       -Range:  0-300
-
-Clinoptilolite-hy-Ca
-#        Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
-        Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O 
-        log_k           -7.0108
-	-delta_H	-65.4496	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Ca
-#	Enthalpy of formation:	-4971.44 kcal/mol
-        -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006
-#       -Range:  0-300
-
-Clinoptilolite-hy-Cs
-#        Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
-        Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 
-        log_k           -13.0621
-	-delta_H	44.6397	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Cs
-#	Enthalpy of formation:	-4616.61 kcal/mol
-        -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006
-#       -Range:  0-300
-
-Clinoptilolite-hy-K
-#        K3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
-        K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 
-        log_k           -10.9523
-	-delta_H	29.5879	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-K
-#	Enthalpy of formation:	-4694.86 kcal/mol
-        -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006
-#       -Range:  0-300
-
-Clinoptilolite-hy-Na
-#        Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
-        Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O 
-        log_k           -7.1384
-	-delta_H	1.88166	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Na
-#	Enthalpy of formation:	-4909.18 kcal/mol
-        -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006
-#       -Range:  0-300
-
-Clinoptilolite-hy-Sr
-#        Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
-        Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O 
-        log_k           -7.1498
-	-delta_H	-31.6858	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Sr
-#	Enthalpy of formation:	-5136.33 kcal/mol
-        -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006
-#       -Range:  0-300
-
-Clinozoisite
-        Ca2Al3Si3O12(OH) +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           43.2569
-	-delta_H	-457.755	kJ/mol	# Calculated enthalpy of reaction	Clinozoisite
-#	Enthalpy of formation:	-1643.78 kcal/mol
-        -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005
-#       -Range:  0-300
-
-Co
-       Co +2.0000 H+ +0.5000 O2  =  + 1.0000 Co++ + 1.0000 H2O
-        log_k           52.5307
-	-delta_H	-337.929	kJ/mol	# Calculated enthalpy of reaction	Co
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002
-#       -Range:  0-300
-
-Co(NO3)2
-       Co(NO3)2  =  + 1.0000 Co++ + 2.0000 NO3-
-        log_k           8.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(NO3)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Co(OH)2
-       Co(OH)2 +2.0000 H+  =  + 1.0000 Co++ + 2.0000 H2O
-        log_k           12.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Co2SiO4
-       Co2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O
-        log_k           6.6808
-	-delta_H	-88.6924	kJ/mol	# Calculated enthalpy of reaction	Co2SiO4
-#	Enthalpy of formation:	-353.011 kcal/mol
-        -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005
-#       -Range:  0-300
-
-Co3(AsO4)2
-       Co3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++
-        log_k           8.5318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(AsO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Co3(PO4)2
-       Co3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Co++
-        log_k           -10.0123
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-CoCl2
-       CoCl2  =  + 1.0000 Co++ + 2.0000 Cl-
-        log_k           8.2641
-	-delta_H	-79.5949	kJ/mol	# Calculated enthalpy of reaction	CoCl2
-#	Enthalpy of formation:	-312.722 kJ/mol
-        -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002
-#       -Range:  0-300
-
-CoCl2:2H2O
-       CoCl2:2H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           4.6661
-	-delta_H	-40.7876	kJ/mol	# Calculated enthalpy of reaction	CoCl2:2H2O
-#	Enthalpy of formation:	-923.206 kJ/mol
-        -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001
-#       -Range:  0-200
-
-CoCl2:6H2O
-       CoCl2:6H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           2.6033
-	-delta_H	8.32709	kJ/mol	# Calculated enthalpy of reaction	CoCl2:6H2O
-#	Enthalpy of formation:	-2115.67 kJ/mol
-        -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001
-#       -Range:  0-200
-
-CoF2
-       CoF2  =  + 1.0000 Co++ + 2.0000 F-
-        log_k           -5.1343
-	-delta_H	-36.6708	kJ/mol	# Calculated enthalpy of reaction	CoF2
-#	Enthalpy of formation:	-692.182 kJ/mol
-        -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002
-#       -Range:  0-300
-
-CoF3
-       CoF3  =  + 1.0000 Co+++ + 3.0000 F-
-        log_k           -4.9558
-	-delta_H	-103.136	kJ/mol	# Calculated enthalpy of reaction	CoF3
-#	Enthalpy of formation:	-193.8 kcal/mol
-        -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002
-#       -Range:  0-300
-
-CoFe2O4
-       CoFe2O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           0.8729
-	-delta_H	-160.674	kJ/mol	# Calculated enthalpy of reaction	CoFe2O4
-#	Enthalpy of formation:	-272.466 kcal/mol
-        -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002
-#       -Range:  0-300
-
-CoHPO4
-       CoHPO4  =  + 1.0000 Co++ + 1.0000 HPO4--
-        log_k           -6.7223
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHPO4
-#	Enthalpy of formation:	0 kcal/mol
-
-CoO
-       CoO +2.0000 H+  =  + 1.0000 Co++ + 1.0000 H2O
-        log_k           13.5553
-	-delta_H	-106.05	kJ/mol	# Calculated enthalpy of reaction	CoO
-#	Enthalpy of formation:	-237.946 kJ/mol
-        -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002
-#       -Range:  0-300
-
-CoS
-       CoS +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HS-
-        log_k           -7.3740
-	-delta_H	10.1755	kJ/mol	# Calculated enthalpy of reaction	CoS
-#	Enthalpy of formation:	-20.182 kcal/mol
-        -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001
-#       -Range:  0-300
-
-CoSO4
-       CoSO4  =  + 1.0000 Co++ + 1.0000 SO4--
-        log_k           2.8996
-	-delta_H	-79.7952	kJ/mol	# Calculated enthalpy of reaction	CoSO4
-#	Enthalpy of formation:	-887.964 kJ/mol
-        -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002
-#       -Range:  0-300
-
-CoSO4.3Co(OH)2
-       CoSO4(Co(OH)2)3 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O
-        log_k           33.2193
-	-delta_H	-379.41	kJ/mol	# Calculated enthalpy of reaction	CoSO4.3Co(OH)2
-#	Enthalpy of formation:	-2477.85 kJ/mol
-        -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002
-#       -Range:  0-200
-
-CoSO4:6H2O
-       CoSO4:6H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -2.3512
-	-delta_H	1.08483	kJ/mol	# Calculated enthalpy of reaction	CoSO4:6H2O
-#	Enthalpy of formation:	-2683.87 kJ/mol
-        -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002
-#       -Range:  0-300
-
-CoSO4:H2O
-       CoSO4:H2O  =  + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4--
-        log_k           -1.2111
-	-delta_H	-52.6556	kJ/mol	# Calculated enthalpy of reaction	CoSO4:H2O
-#	Enthalpy of formation:	-287.032 kcal/mol
-        -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001
-#       -Range:  0-200
-
-CoSeO3
-       CoSeO3  =  + 1.0000 Co++ + 1.0000 SeO3--
-        log_k           -7.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO3
-#	Enthalpy of formation:	0 kcal/mol
-
-CoWO4
-       CoWO4  =  + 1.0000 Co++ + 1.0000 WO4--
-        log_k           -12.2779
-	-delta_H	13.6231	kJ/mol	# Calculated enthalpy of reaction	CoWO4
-#	Enthalpy of formation:	-274.256 kcal/mol
-        -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001
-#       -Range:  0-200
-
-Coesite
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.1893
-	-delta_H	28.6144	kJ/mol	# Calculated enthalpy of reaction	Coesite
-#	Enthalpy of formation:	-216.614 kcal/mol
-        -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005
-#       -Range:  0-300
-
-Coffinite
-        USiO4 +4.0000 H+  =  + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O
-        log_k           -8.0530
-	-delta_H	-49.2493	kJ/mol	# Calculated enthalpy of reaction	Coffinite
-#	Enthalpy of formation:	-1991.33 kJ/mol
-        -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001
-#       -Range:  0-200
-
-Colemanite
-        Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O  =  + 2.0000 Ca++ + 6.0000 B(OH)3
-        log_k           21.5148
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Colemanite
-#	Enthalpy of formation:	0 kcal/mol
-
-Cordierite_anhyd
-        Mg2Al4Si5O18 +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O
-        log_k           52.3035
-	-delta_H	-626.219	kJ/mol	# Calculated enthalpy of reaction	Cordierite_anhyd
-#	Enthalpy of formation:	-2183.2 kcal/mol
-        -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006
-#       -Range:  0-300
-
-Cordierite_hydr
-        Mg2Al4Si5O18:H2O +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O
-        log_k           49.8235
-	-delta_H	-608.814	kJ/mol	# Calculated enthalpy of reaction	Cordierite_hydr
-#	Enthalpy of formation:	-2255.68 kcal/mol
-        -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006
-#       -Range:  0-300
-
-Corkite
-        PbFe3(PO4)(SO4)(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -9.7951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Corkite
-#	Enthalpy of formation:	0 kcal/mol
-
-Corundum
-        Al2O3 +6.0000 H+  =  + 2.0000 Al+++ + 3.0000 H2O
-        log_k           18.3121
-	-delta_H	-258.626	kJ/mol	# Calculated enthalpy of reaction	Corundum
-#	Enthalpy of formation:	-400.5 kcal/mol
-        -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002
-#       -Range:  0-300
-
-Cotunnite
-        PbCl2  =  + 1.0000 Pb++ + 2.0000 Cl-
-        log_k           -4.8406
-	-delta_H	26.1441	kJ/mol	# Calculated enthalpy of reaction	Cotunnite
-#	Enthalpy of formation:	-359.383 kJ/mol
-        -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001
-#       -Range:  0-200
-
-Covellite
-        CuS +1.0000 H+  =  + 1.0000 Cu++ + 1.0000 HS-
-        log_k           -22.8310
-	-delta_H	101.88	kJ/mol	# Calculated enthalpy of reaction	Covellite
-#	Enthalpy of formation:	-12.5 kcal/mol
-        -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001
-#       -Range:  0-300
-
-Cr
-       Cr +3.0000 H+ +0.7500 O2  =  + 1.0000 Cr+++ + 1.5000 H2O
-        log_k           98.6784
-	-delta_H	-658.145	kJ/mol	# Calculated enthalpy of reaction	Cr
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002
-#       -Range:  0-300
-
-CrCl3
-       CrCl3  =  + 1.0000 Cr+++ + 3.0000 Cl-
-        log_k           17.9728
-	-delta_H	-183.227	kJ/mol	# Calculated enthalpy of reaction	CrCl3
-#	Enthalpy of formation:	-556.5 kJ/mol
-        -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002
-#       -Range:  0-300
-
-CrF3
-       CrF3  =  + 1.0000 Cr+++ + 3.0000 F-
-        log_k           -8.5713
-	-delta_H	-85.5293	kJ/mol	# Calculated enthalpy of reaction	CrF3
-#	Enthalpy of formation:	-277.008 kcal/mol
-        -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002
-#       -Range:  0-300
-
-CrF4
-       CrF4 +2.0000 H2O  =  + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+
-        log_k           -12.3132
-	-delta_H	-35.2125	kJ/mol	# Calculated enthalpy of reaction	CrF4
-#	Enthalpy of formation:	-298 kcal/mol
-        -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001
-#       -Range:  0-200
-
-CrI3
-       CrI3  =  + 1.0000 Cr+++ + 3.0000 I-
-        log_k           25.6112
-	-delta_H	-204.179	kJ/mol	# Calculated enthalpy of reaction	CrI3
-#	Enthalpy of formation:	-49 kcal/mol
-        -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-CrO2
-       CrO2  =  + 0.5000 Cr++ + 0.5000 CrO4--
-        log_k           -19.1332
-	-delta_H	85.9812	kJ/mol	# Calculated enthalpy of reaction	CrO2
-#	Enthalpy of formation:	-143 kcal/mol
-        -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001
-#       -Range:  0-200
-
-CrO3
-       CrO3 +1.0000 H2O  =  + 1.0000 CrO4-- + 2.0000 H+
-        log_k           -3.5221
-	-delta_H	-5.78647	kJ/mol	# Calculated enthalpy of reaction	CrO3
-#	Enthalpy of formation:	-140.9 kcal/mol
-        -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001
-#       -Range:  0-300
-
-CrS
-       CrS +1.0000 H+  =  + 1.0000 Cr++ + 1.0000 HS-
-        log_k           -0.6304
-	-delta_H	-26.15	kJ/mol	# Calculated enthalpy of reaction	CrS
-#	Enthalpy of formation:	-31.9 kcal/mol
-        -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001
-#       -Range:  0-300
-
-Cristobalite(alpha)
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.4488
-	-delta_H	29.2043	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(alpha)
-#	Enthalpy of formation:	-216.755 kcal/mol
-        -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005
-#       -Range:  0-300
-
-Cristobalite(beta)
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.0053
-	-delta_H	24.6856	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(beta)
-#	Enthalpy of formation:	-215.675 kcal/mol
-        -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005
-#       -Range:  0-300
-
-Crocoite
-        PbCrO4  =  + 1.0000 CrO4-- + 1.0000 Pb++
-        log_k           -12.7177
-	-delta_H	48.6181	kJ/mol	# Calculated enthalpy of reaction	Crocoite
-#	Enthalpy of formation:	-222 kcal/mol
-        -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001
-#       -Range:  0-200
-
-Cronstedtite-7A
-        Fe2Fe2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O
-        log_k           16.2603
-	-delta_H	-244.266	kJ/mol	# Calculated enthalpy of reaction	Cronstedtite-7A
-#	Enthalpy of formation:	-697.413 kcal/mol
-        -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002
-#       -Range:  0-300
-
-Cs
-       Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+
-        log_k           72.5987
-	-delta_H	-397.913	kJ/mol	# Calculated enthalpy of reaction	Cs
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002
-#       -Range:  0-300
-
-Cs2NaAmCl6
-       Cs2NaAmCl6  =  + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl-
-        log_k           11.7089
-	-delta_H	-59.7323	kJ/mol	# Calculated enthalpy of reaction	Cs2NaAmCl6
-#	Enthalpy of formation:	-2315.8 kJ/mol
-        -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001
-#       -Range:  0-200
-
-Cs2U2O7
-       Cs2U2O7 +6.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           31.0263
-	-delta_H	-191.57	kJ/mol	# Calculated enthalpy of reaction	Cs2U2O7
-#	Enthalpy of formation:	-3220 kJ/mol
-        -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005
-#       -Range:  0-300
-
-Cs2U4O12
-       Cs2U4O12 +8.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O
-        log_k           18.9460
-	-delta_H	-175.862	kJ/mol	# Calculated enthalpy of reaction	Cs2U4O12
-#	Enthalpy of formation:	-5571.8 kJ/mol
-        -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004
-#       -Range:  0-300
-
-Cs2UO4
-       Cs2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O
-        log_k           35.8930
-	-delta_H	-178.731	kJ/mol	# Calculated enthalpy of reaction	Cs2UO4
-#	Enthalpy of formation:	-1928 kJ/mol
-        -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002
-#       -Range:  0-300
-
-Cu
-       Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O
-        log_k           31.5118
-	-delta_H	-214.083	kJ/mol	# Calculated enthalpy of reaction	Cu
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002
-#       -Range:  0-300
-
-Cu3(PO4)2
-       Cu3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++
-        log_k           -12.2247
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Cu3(PO4)2:3H2O
-       Cu3(PO4)2:3H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O
-        log_k           -10.4763
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2:3H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-CuCl2
-       CuCl2  =  + 1.0000 Cu++ + 2.0000 Cl-
-        log_k           3.7308
-	-delta_H	-48.5965	kJ/mol	# Calculated enthalpy of reaction	CuCl2
-#	Enthalpy of formation:	-219.874 kJ/mol
-        -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001
-#       -Range:  0-200
-
-CuCr2O4
-       CuCr2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           16.2174
-	-delta_H	-268.768	kJ/mol	# Calculated enthalpy of reaction	CuCr2O4
-#	Enthalpy of formation:	-307.331 kcal/mol
-        -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002
-#       -Range:  0-200
-
-CuF
-       CuF  =  + 1.0000 Cu+ + 1.0000 F-
-        log_k           7.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF
-#	Enthalpy of formation:	0 kcal/mol
-
-CuF2
-       CuF2  =  + 1.0000 Cu++ + 2.0000 F-
-        log_k           -0.6200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2
-#	Enthalpy of formation:	0 kcal/mol
-
-CuF2:2H2O
-       CuF2:2H2O  =  + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O
-        log_k           -4.5500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2:2H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-CuSeO3
-       CuSeO3  =  + 1.0000 Cu++ + 1.0000 SeO3--
-        log_k           -7.6767
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSeO3
-#	Enthalpy of formation:	0 kcal/mol
-
-Cuprite
-        Cu2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Cu+
-        log_k           -1.9031
-	-delta_H	28.355	kJ/mol	# Calculated enthalpy of reaction	Cuprite
-#	Enthalpy of formation:	-40.83 kcal/mol
-        -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001
-#       -Range:  0-300
-
-Daphnite-14A
-        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
-        log_k           52.2821
-	-delta_H	-517.561	kJ/mol	# Calculated enthalpy of reaction	Daphnite-14A
-#	Enthalpy of formation:	-1693.04 kcal/mol
-        -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002
-#       -Range:  0-300
-
-Daphnite-7A
-        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
-        log_k           55.6554
-	-delta_H	-532.326	kJ/mol	# Calculated enthalpy of reaction	Daphnite-7A
-#	Enthalpy of formation:	-1689.51 kcal/mol
-        -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002
-#       -Range:  0-300
-
-Dawsonite
-        NaAlCO3(OH)2 +3.0000 H+  =  + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O
-        log_k           4.3464
-	-delta_H	-76.3549	kJ/mol	# Calculated enthalpy of reaction	Dawsonite
-#	Enthalpy of formation:	-1963.96 kJ/mol
-        -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002
-#       -Range:  0-200
-
-Delafossite
-        CuFeO2 +4.0000 H+  =  + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O
-        log_k           -6.4172
-	-delta_H	-18.6104	kJ/mol	# Calculated enthalpy of reaction	Delafossite
-#	Enthalpy of formation:	-126.904 kcal/mol
-        -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001
-#       -Range:  0-300
-
-Diaspore
-        AlHO2 +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
-        log_k           7.1603
-	-delta_H	-110.42	kJ/mol	# Calculated enthalpy of reaction	Diaspore
-#	Enthalpy of formation:	-238.924 kcal/mol
-        -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002
-#       -Range:  0-300
-
-Dicalcium_silicate
-        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
-        log_k           37.1725
-	-delta_H	-217.642	kJ/mol	# Calculated enthalpy of reaction	Dicalcium_silicate
-#	Enthalpy of formation:	-2317.9 kJ/mol
-        -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005
-#       -Range:  0-300
-
-Diopside
-        CaMgSi2O6 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2
-        log_k           20.9643
-	-delta_H	-133.775	kJ/mol	# Calculated enthalpy of reaction	Diopside
-#	Enthalpy of formation:	-765.378 kcal/mol
-        -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005
-#       -Range:  0-300
-
-Dioptase
-        CuSiO2(OH)2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           6.0773
-	-delta_H	-25.2205	kJ/mol	# Calculated enthalpy of reaction	Dioptase
-#	Enthalpy of formation:	-1358.47 kJ/mol
-        -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001
-#       -Range:  0-200
-
-Dolomite
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           2.5135
-	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite
-#	Enthalpy of formation:	-556.631 kcal/mol
-        -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002
-#       -Range:  0-300
-
-Dolomite-dis
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           4.0579
-	-delta_H	-72.2117	kJ/mol	# Calculated enthalpy of reaction	Dolomite-dis
-#	Enthalpy of formation:	-553.704 kcal/mol
-        -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002
-#       -Range:  0-300
-
-Dolomite-ord
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           2.5135
-	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite-ord
-#	Enthalpy of formation:	-556.631 kcal/mol
-        -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002
-#       -Range:  0-300
-
-Downeyite
-        SeO2 +1.0000 H2O  =  + 1.0000 SeO3-- + 2.0000 H+
-        log_k           -6.7503
-	-delta_H	1.74473	kJ/mol	# Calculated enthalpy of reaction	Downeyite
-#	Enthalpy of formation:	-53.8 kcal/mol
-        -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001
-#       -Range:  0-300
-
-Dy
-       Dy +3.0000 H+ +0.7500 O2  =  + 1.0000 Dy+++ + 1.5000 H2O
-        log_k           180.8306
-	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Dy
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002
-#       -Range:  0-300
-
-Dy(OH)3
-       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
-        log_k           15.8852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Dy(OH)3(am)
-       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
-        log_k           17.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Dy2(CO3)3
-       Dy2(CO3)3 +3.0000 H+  =  + 2.0000 Dy+++ + 3.0000 HCO3-
-        log_k           -3.0136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Dy2O3
-       Dy2O3 +6.0000 H+  =  + 2.0000 Dy+++ + 3.0000 H2O
-        log_k           47.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-DyF3:.5H2O
-       DyF3:.5H2O  =  + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F-
-        log_k           -16.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-DyPO4:10H2O
-       DyPO4:10H2O +1.0000 H+  =  + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Enstatite
-        MgSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2
-        log_k           11.3269
-	-delta_H	-82.7302	kJ/mol	# Calculated enthalpy of reaction	Enstatite
-#	Enthalpy of formation:	-369.686 kcal/mol
-        -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005
-#       -Range:  0-300
-
-Epidote
-        Ca2FeAl2Si3O12OH +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           32.9296
-	-delta_H	-386.451	kJ/mol	# Calculated enthalpy of reaction	Epidote
-#	Enthalpy of formation:	-1543.99 kcal/mol
-        -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005
-#       -Range:  0-300
-
-Epidote-ord
-        FeCa2Al2(OH)(SiO4)3 +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           32.9296
-	-delta_H	-386.351	kJ/mol	# Calculated enthalpy of reaction	Epidote-ord
-#	Enthalpy of formation:	-1544.02 kcal/mol
-        -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002
-#       -Range:  0-300
-
-Epsomite
-        MgSO4:7H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -1.9623
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Epsomite
-#	Enthalpy of formation:	0 kcal/mol
-
-Er
-       Er +3.0000 H+ +0.7500 O2  =  + 1.0000 Er+++ + 1.5000 H2O
-        log_k           181.7102
-	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Er
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005
-#       -Range:  0-300
-
-Er(OH)3
-       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
-        log_k           14.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Er(OH)3(am)
-       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Er2(CO3)3
-       Er2(CO3)3 +3.0000 H+  =  + 2.0000 Er+++ + 3.0000 HCO3-
-        log_k           -2.6136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Er2O3
-       Er2O3 +6.0000 H+  =  + 2.0000 Er+++ + 3.0000 H2O
-        log_k           42.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-ErF3:.5H2O
-       ErF3:.5H2O  =  + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F-
-        log_k           -16.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-ErPO4:10H2O
-       ErPO4:10H2O +1.0000 H+  =  + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Erythrite
-        Co3(AsO4)2:8H2O +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O
-        log_k           6.3930
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Erythrite
-#	Enthalpy of formation:	0 kcal/mol
-
-Eskolaite
-        Cr2O3 +2.0000 H2O +1.5000 O2  =  + 2.0000 CrO4-- + 4.0000 H+
-        log_k           -9.1306
-	-delta_H	-32.6877	kJ/mol	# Calculated enthalpy of reaction	Eskolaite
-#	Enthalpy of formation:	-1139.74 kJ/mol
-        -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001
-#       -Range:  0-300
-
-Ettringite
-        Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O
-        log_k           62.5362
-	-delta_H	-382.451	kJ/mol	# Calculated enthalpy of reaction	Ettringite
-#	Enthalpy of formation:	-4193 kcal/mol
-        -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003
-#       -Range:  0-200
-
-Eu
-       Eu +3.0000 H+ +0.7500 O2  =  + 1.0000 Eu+++ + 1.5000 H2O
-        log_k           165.1443
-	-delta_H	-1025.08	kJ/mol	# Calculated enthalpy of reaction	Eu
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002
-#       -Range:  0-300
-
-Eu(IO3)3:2H2O
-       Eu(IO3)3:2H2O  =  + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3-
-        log_k           -11.6999
-	-delta_H	20.8847	kJ/mol	# Calculated enthalpy of reaction	Eu(IO3)3:2H2O
-#	Enthalpy of formation:	-1861.99 kJ/mol
-        -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001
-#       -Range:  0-200
-
-Eu(NO3)3:6H2O
-       Eu(NO3)3:6H2O  =  + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O
-        log_k           1.3082
-	-delta_H	15.2254	kJ/mol	# Calculated enthalpy of reaction	Eu(NO3)3:6H2O
-#	Enthalpy of formation:	-2956.11 kJ/mol
-        -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001
-#       -Range:  0-200
-
-Eu(OH)2.5Cl.5
-       Eu(OH)2.5Cl.5 +2.5000 H+  =  + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O
-        log_k           12.5546
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2.5Cl.5
-#	Enthalpy of formation:	0 kcal/mol
-
-Eu(OH)2Cl
-       Eu(OH)2Cl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O
-        log_k           8.7974
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2Cl
-#	Enthalpy of formation:	0 kcal/mol
-
-Eu(OH)3
-       Eu(OH)3 +3.0000 H+  =  + 1.0000 Eu+++ + 3.0000 H2O
-        log_k           15.3482
-	-delta_H	-126.897	kJ/mol	# Calculated enthalpy of reaction	Eu(OH)3
-#	Enthalpy of formation:	-1336.04 kJ/mol
-        -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002
-#       -Range:  0-200
-
-Eu2(CO3)3:3H2O
-       Eu2(CO3)3:3H2O +3.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3-
-        log_k           -5.8707
-	-delta_H	-137.512	kJ/mol	# Calculated enthalpy of reaction	Eu2(CO3)3:3H2O
-#	Enthalpy of formation:	-4000.65 kJ/mol
-        -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002
-#       -Range:  0-200
-
-Eu2(SO4)3:8H2O
-       Eu2(SO4)3:8H2O  =  + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O
-        log_k           -10.8524
-	-delta_H	-86.59	kJ/mol	# Calculated enthalpy of reaction	Eu2(SO4)3:8H2O
-#	Enthalpy of formation:	-6139.77 kJ/mol
-        -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001
-#       -Range:  0-200
-
-Eu2O3(cubic)
-       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
-        log_k           51.7818
-	-delta_H	-406.403	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(cubic)
-#	Enthalpy of formation:	-1661.96 kJ/mol
-        -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002
-#       -Range:  0-200
-
-Eu2O3(monoclinic)
-       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
-        log_k           53.3936
-	-delta_H	-417.481	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(monoclinic)
-#	Enthalpy of formation:	-1650.88 kJ/mol
-        -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002
-#       -Range:  0-200
-
-Eu3O4
-       Eu3O4 +8.0000 H+  =  + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O
-        log_k           87.0369
-	-delta_H	-611.249	kJ/mol	# Calculated enthalpy of reaction	Eu3O4
-#	Enthalpy of formation:	-2270.56 kJ/mol
-        -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002
-#       -Range:  0-200
-
-EuBr3
-       EuBr3  =  + 1.0000 Eu+++ + 3.0000 Br-
-        log_k           29.8934
-	-delta_H	-217.166	kJ/mol	# Calculated enthalpy of reaction	EuBr3
-#	Enthalpy of formation:	-752.769 kJ/mol
-        -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002
-#       -Range:  0-200
-
-EuCl2
-       EuCl2  =  + 1.0000 Eu++ + 2.0000 Cl-
-        log_k           5.9230
-	-delta_H	-39.2617	kJ/mol	# Calculated enthalpy of reaction	EuCl2
-#	Enthalpy of formation:	-822.5 kJ/mol
-        -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001
-#       -Range:  0-200
-
-EuCl3
-       EuCl3  =  + 1.0000 Eu+++ + 3.0000 Cl-
-        log_k           19.7149
-	-delta_H	-170.861	kJ/mol	# Calculated enthalpy of reaction	EuCl3
-#	Enthalpy of formation:	-935.803 kJ/mol
-        -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001
-#       -Range:  0-200
-
-EuCl3:6H2O
-       EuCl3:6H2O  =  + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O
-        log_k           4.9090
-	-delta_H	-40.0288	kJ/mol	# Calculated enthalpy of reaction	EuCl3:6H2O
-#	Enthalpy of formation:	-2781.66 kJ/mol
-        -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001
-#       -Range:  0-200
-
-EuF3:0.5H2O
-       EuF3:0.5H2O  =  + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F-
-        log_k           -16.4847
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuF3:0.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-EuO
-       EuO +2.0000 H+  =  + 1.0000 Eu++ + 1.0000 H2O
-        log_k           37.4800
-	-delta_H	-221.196	kJ/mol	# Calculated enthalpy of reaction	EuO
-#	Enthalpy of formation:	-592.245 kJ/mol
-        -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002
-#       -Range:  0-300
-
-EuOCl
-       EuOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O
-        log_k           15.6683
-	-delta_H	-147.173	kJ/mol	# Calculated enthalpy of reaction	EuOCl
-#	Enthalpy of formation:	-911.17 kJ/mol
-        -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002
-#       -Range:  0-200
-
-EuOHCO3
-       EuOHCO3 +2.0000 H+  =  + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           2.5239
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
-#	Enthalpy of formation:	0 kcal/mol
-
-EuPO4:10H2O
-       EuPO4:10H2O +1.0000 H+  =  + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -12.0782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-EuS
-       EuS +1.0000 H+  =  + 1.0000 Eu++ + 1.0000 HS-
-        log_k           14.9068
-	-delta_H	-96.4088	kJ/mol	# Calculated enthalpy of reaction	EuS
-#	Enthalpy of formation:	-447.302 kJ/mol
-        -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001
-#       -Range:  0-200
-
-EuSO4
-       EuSO4  =  + 1.0000 Eu++ + 1.0000 SO4--
-        log_k           -8.8449
-	-delta_H	33.873	kJ/mol	# Calculated enthalpy of reaction	EuSO4
-#	Enthalpy of formation:	-1471.08 kJ/mol
-        -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001
-#       -Range:  0-200
-
-Eucryptite
-        LiAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           13.6106
-	-delta_H	-141.818	kJ/mol	# Calculated enthalpy of reaction	Eucryptite
-#	Enthalpy of formation:	-2124.41 kJ/mol
-        -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002
-#       -Range:  0-300
-
-Fayalite
-        Fe2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O
-        log_k           19.1113
-	-delta_H	-152.256	kJ/mol	# Calculated enthalpy of reaction	Fayalite
-#	Enthalpy of formation:	-354.119 kcal/mol
-        -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004
-#       -Range:  0-300
-
-Fe
-       Fe +2.0000 H+ +0.5000 O2  =  + 1.0000 Fe++ + 1.0000 H2O
-        log_k           59.0325
-	-delta_H	-372.029	kJ/mol	# Calculated enthalpy of reaction	Fe
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002
-#       -Range:  0-300
-
-Fe(OH)2
-       Fe(OH)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 H2O
-        log_k           13.9045
-	-delta_H	-95.4089	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)2
-#	Enthalpy of formation:	-568.525 kJ/mol
-        -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002
-#       -Range:  0-300
-
-Fe(OH)3
-       Fe(OH)3 +3.0000 H+  =  + 1.0000 Fe+++ + 3.0000 H2O
-        log_k           5.6556
-	-delta_H	-84.0824	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)3
-#	Enthalpy of formation:	-823.013 kJ/mol
-        -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002
-#       -Range:  0-300
-
-Fe2(SO4)3
-       Fe2(SO4)3  =  + 2.0000 Fe+++ + 3.0000 SO4--
-        log_k           3.2058
-	-delta_H	-250.806	kJ/mol	# Calculated enthalpy of reaction	Fe2(SO4)3
-#	Enthalpy of formation:	-2577.16 kJ/mol
-        -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002
-#       -Range:  0-300
-
-FeF2
-       FeF2  =  + 1.0000 Fe++ + 2.0000 F-
-        log_k           -2.3817
-	-delta_H	-51.6924	kJ/mol	# Calculated enthalpy of reaction	FeF2
-#	Enthalpy of formation:	-711.26 kJ/mol
-        -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002
-#       -Range:  0-300
-
-FeF3
-       FeF3  =  + 1.0000 Fe+++ + 3.0000 F-
-        log_k           -19.2388
-	-delta_H	-13.8072	kJ/mol	# Calculated enthalpy of reaction	FeF3
-#	Enthalpy of formation:	-249 kcal/mol
-        -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001
-#       -Range:  0-200
-
-FeO
-       FeO +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O
-        log_k           13.5318
-	-delta_H	-106.052	kJ/mol	# Calculated enthalpy of reaction	FeO
-#	Enthalpy of formation:	-65.02 kcal/mol
-        -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002
-#       -Range:  0-300
-
-FeSO4
-       FeSO4  =  + 1.0000 Fe++ + 1.0000 SO4--
-        log_k           2.6565
-	-delta_H	-73.0878	kJ/mol	# Calculated enthalpy of reaction	FeSO4
-#	Enthalpy of formation:	-928.771 kJ/mol
-        -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002
-#       -Range:  0-300
-
-FeV2O4
-       FeV2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O
-        log_k           280.5528
-	-delta_H	-1733.42	kJ/mol	# Calculated enthalpy of reaction	FeV2O4
-#	Enthalpy of formation:	-5.8 kcal/mol
-        -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003
-#       -Range:  0-200
-
-Ferrite-Ca
-        CaFe2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           21.5217
-	-delta_H	-264.738	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Ca
-#	Enthalpy of formation:	-363.494 kcal/mol
-        -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002
-#       -Range:  0-300
-
-Ferrite-Cu
-        CuFe2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           10.3160
-	-delta_H	-211.647	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Cu
-#	Enthalpy of formation:	-965.178 kJ/mol
-        -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002
-#       -Range:  0-300
-
-Ferrite-Dicalcium
-        Ca2Fe2O5 +10.0000 H+  =  + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O
-        log_k           56.8331
-	-delta_H	-475.261	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Dicalcium
-#	Enthalpy of formation:	-2139.26 kJ/mol
-        -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002
-#       -Range:  0-300
-
-Ferrite-Mg
-        MgFe2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           21.0551
-	-delta_H	-280.056	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Mg
-#	Enthalpy of formation:	-1428.42 kJ/mol
-        -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002
-#       -Range:  0-300
-
-Ferrite-Zn
-        ZnFe2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           11.7342
-	-delta_H	-226.609	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Zn
-#	Enthalpy of formation:	-1169.29 kJ/mol
-        -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002
-#       -Range:  0-300
-
-Ferroselite
-        FeSe2 +0.5000 H2O  =  + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se--
-        log_k           -80.7998
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ferroselite
-#	Enthalpy of formation:	-25 kcal/mol
-        -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002
-#       -Range:  0-300
-
-Ferrosilite
-        FeSiO3 +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           7.4471
-	-delta_H	-60.6011	kJ/mol	# Calculated enthalpy of reaction	Ferrosilite
-#	Enthalpy of formation:	-285.658 kcal/mol
-        -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005
-#       -Range:  0-300
-
-Fluorapatite
-        Ca5(PO4)3F +3.0000 H+  =  + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++
-        log_k           -24.9940
-	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
-#	Enthalpy of formation:	-6836.12 kJ/mol
-        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
-#       -Range:  0-300
-
-Fluorite
-        CaF2  =  + 1.0000 Ca++ + 2.0000 F-
-        log_k           -10.0370
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
-#	Enthalpy of formation:	-293 kcal/mol
-        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
-#       -Range:  0-300
-
-Forsterite
-        Mg2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++
-        log_k           27.8626
-	-delta_H	-205.614	kJ/mol	# Calculated enthalpy of reaction	Forsterite
-#	Enthalpy of formation:	-520 kcal/mol
-        -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005
-#       -Range:  0-300
-
-Foshagite
-        Ca4Si3O9(OH)2:0.5H2O +8.0000 H+  =  + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O
-        log_k           65.9210
-	-delta_H	-359.839	kJ/mol	# Calculated enthalpy of reaction	Foshagite
-#	Enthalpy of formation:	-1438.27 kcal/mol
-        -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005
-#       -Range:  0-300
-
-Frankdicksonite
-        BaF2  =  + 1.0000 Ba++ + 2.0000 F-
-        log_k           -5.7600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Frankdicksonite
-#	Enthalpy of formation:	0 kcal/mol
-
-Freboldite
-        CoSe  =  + 1.0000 Co++ + 1.0000 Se--
-        log_k           -24.3358
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Freboldite
-#	Enthalpy of formation:	-15.295 kcal/mol
-        -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001
-#       -Range:  0-200
-
-Ga
-       Ga +3.0000 H+ +0.7500 O2  =  + 1.0000 Ga+++ + 1.5000 H2O
-        log_k           92.3567
-	-delta_H	-631.368	kJ/mol	# Calculated enthalpy of reaction	Ga
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004
-#       -Range:  0-300
-
-Galena
-        PbS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Pb++
-        log_k           -14.8544
-	-delta_H	83.1361	kJ/mol	# Calculated enthalpy of reaction	Galena
-#	Enthalpy of formation:	-23.5 kcal/mol
-        -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001
-#       -Range:  0-300
-
-Gaylussite
-        CaNa2(CO3)2:5H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O
-        log_k           11.1641
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gaylussite
-#	Enthalpy of formation:	0 kcal/mol
-
-Gd
-       Gd +3.0000 H+ +0.7500 O2  =  + 1.0000 Gd+++ + 1.5000 H2O
-        log_k           180.7573
-	-delta_H	-1106.67	kJ/mol	# Calculated enthalpy of reaction	Gd
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005
-#       -Range:  0-300
-
-Gd(OH)3
-       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
-        log_k           15.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Gd(OH)3(am)
-       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
-        log_k           17.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Gd2(CO3)3
-       Gd2(CO3)3 +3.0000 H+  =  + 2.0000 Gd+++ + 3.0000 HCO3-
-        log_k           -3.7136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Gd2O3
-       Gd2O3 +6.0000 H+  =  + 2.0000 Gd+++ + 3.0000 H2O
-        log_k           53.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-GdF3:.5H2O
-       GdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F-
-        log_k           -16.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-GdPO4:10H2O
-       GdPO4:10H2O +1.0000 H+  =  + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Gehlenite
-        Ca2Al2SiO7 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O
-        log_k           56.2997
-	-delta_H	-489.934	kJ/mol	# Calculated enthalpy of reaction	Gehlenite
-#	Enthalpy of formation:	-951.225 kcal/mol
-        -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002
-#       -Range:  0-300
-
-Gibbsite
-        Al(OH)3 +3.0000 H+  =  + 1.0000 Al+++ + 3.0000 H2O
-        log_k           7.7560
-	-delta_H	-102.788	kJ/mol	# Calculated enthalpy of reaction	Gibbsite
-#	Enthalpy of formation:	-309.065 kcal/mol
-        -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002
-#       -Range:  0-300
-
-Gismondine
-        Ca2Al4Si4O16:9H2O +16.0000 H+  =  + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O
-        log_k           41.7170
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gismondine
-#	Enthalpy of formation:	0 kcal/mol
-
-Glauberite
-        Na2Ca(SO4)2  =  + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4--
-        log_k           -5.4690
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Glauberite
-#	Enthalpy of formation:	0 kcal/mol
-
-Goethite
-        FeOOH +3.0000 H+  =  + 1.0000 Fe+++ + 2.0000 H2O
-        log_k           0.5345
-	-delta_H	-61.9291	kJ/mol	# Calculated enthalpy of reaction	Goethite
-#	Enthalpy of formation:	-559.328 kJ/mol
-        -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001
-#       -Range:  0-200
-
-Greenalite
-        Fe3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O
-        log_k           22.6701
-	-delta_H	-165.297	kJ/mol	# Calculated enthalpy of reaction	Greenalite
-#	Enthalpy of formation:	-787.778 kcal/mol
-        -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005
-#       -Range:  0-300
-
-Grossular
-        Ca3Al2(SiO4)3 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           51.9228
-	-delta_H	-432.006	kJ/mol	# Calculated enthalpy of reaction	Grossular
-#	Enthalpy of formation:	-1582.74 kcal/mol
-        -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005
-#       -Range:  0-300
-
-Gypsum
-        CaSO4:2H2O  =  + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O
-        log_k           -4.4823
-	-delta_H	-1.66746	kJ/mol	# Calculated enthalpy of reaction	Gypsum
-#	Enthalpy of formation:	-2022.69 kJ/mol
-        -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001
-#       -Range:  0-300
-
-Gyrolite
-        Ca2Si3O7(OH)2:1.5H2O +4.0000 H+  =  + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O
-        log_k           22.9099
-	-delta_H	-82.862	kJ/mol	# Calculated enthalpy of reaction	Gyrolite
-#	Enthalpy of formation:	-1176.55 kcal/mol
-        -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006
-#       -Range:  0-300
-
-HTcO4
-       HTcO4  =  + 1.0000 H+ + 1.0000 TcO4-
-        log_k           5.9566
-	-delta_H	-12.324	kJ/mol	# Calculated enthalpy of reaction	HTcO4
-#	Enthalpy of formation:	-703.945 kJ/mol
-        -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001
-#       -Range:  0-200
-
-Haiweeite
-        Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O
-        log_k           -7.0413
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Haiweeite
-#	Enthalpy of formation:	0 kcal/mol
-
-Halite
-        NaCl  =  + 1.0000 Cl- + 1.0000 Na+
-        log_k           1.5855
-	-delta_H	3.7405	kJ/mol	# Calculated enthalpy of reaction	Halite
-#	Enthalpy of formation:	-98.26 kcal/mol
-        -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001
-#       -Range:  0-300
-
-Hatrurite
-        Ca3SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
-        log_k           73.4056
-	-delta_H	-434.684	kJ/mol	# Calculated enthalpy of reaction	Hatrurite
-#	Enthalpy of formation:	-700.234 kcal/mol
-        -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004
-#       -Range:  0-300
-
-Hausmannite
-        Mn3O4 +8.0000 H+  =  + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O
-        log_k           10.1598
-	-delta_H	-268.121	kJ/mol	# Calculated enthalpy of reaction	Hausmannite
-#	Enthalpy of formation:	-1387.83 kJ/mol
-        -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002
-#       -Range:  0-300
-
-Heazlewoodite
-        Ni3S2 +4.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++
-        log_k           28.2477
-	-delta_H	-270.897	kJ/mol	# Calculated enthalpy of reaction	Heazlewoodite
-#	Enthalpy of formation:	-203.012 kJ/mol
-        -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002
-#       -Range:  0-300
-
-Hedenbergite
-        CaFe(SiO3)2 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2
-        log_k           19.6060
-	-delta_H	-124.507	kJ/mol	# Calculated enthalpy of reaction	Hedenbergite
-#	Enthalpy of formation:	-678.276 kcal/mol
-        -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005
-#       -Range:  0-300
-
-Hematite
-        Fe2O3 +6.0000 H+  =  + 2.0000 Fe+++ + 3.0000 H2O
-        log_k           0.1086
-	-delta_H	-129.415	kJ/mol	# Calculated enthalpy of reaction	Hematite
-#	Enthalpy of formation:	-197.72 kcal/mol
-        -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002
-#       -Range:  0-300
-
-Hercynite
-        FeAl2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           28.8484
-	-delta_H	-345.961	kJ/mol	# Calculated enthalpy of reaction	Hercynite
-#	Enthalpy of formation:	-1966.45 kJ/mol
-        -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002
-#       -Range:  0-300
-
-Herzenbergite
-        SnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sn++
-        log_k           -15.5786
-	-delta_H	81.6466	kJ/mol	# Calculated enthalpy of reaction	Herzenbergite
-#	Enthalpy of formation:	-25.464 kcal/mol
-        -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001
-#       -Range:  0-300
-
-Heulandite
-#        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
-        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O 
-        log_k           3.3506
-	-delta_H	-97.2942	kJ/mol	# Calculated enthalpy of reaction	Heulandite
-#	Enthalpy of formation:	-10594.5 kJ/mol
-        -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006
-#       -Range:  0-300
-
-Hexahydrite
-        MgSO4:6H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -1.7268
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hexahydrite
-#	Enthalpy of formation:	0 kcal/mol
-
-Hf(s)
-       Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O
-        log_k           189.9795
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf
-#	Enthalpy of formation:	-0.003 kJ/mol
-
-HfB2
-       HfB2 +2.7500 H+ +2.2500 H2O  =  + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4-
-        log_k           55.7691
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfB2
-#	Enthalpy of formation:	-78.6 kJ/mol
-
-HfBr2
-       HfBr2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br-
-        log_k           114.9446
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr2
-#	Enthalpy of formation:	-98 kJ/mol
-
-HfBr4
-       HfBr4  =  + 1.0000 Hf++++ + 4.0000 Br-
-        log_k           48.2921
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr4
-#	Enthalpy of formation:	-183.1 kJ/mol
-
-HfC
-       HfC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++
-        log_k           215.0827
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfC
-#	Enthalpy of formation:	-54 kJ/mol
-
-HfCl2
-       HfCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl-
-        log_k           109.1624
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl2
-#	Enthalpy of formation:	-125 kJ/mol
-
-HfCl4
-       HfCl4  =  + 1.0000 Hf++++ + 4.0000 Cl-
-        log_k           38.0919
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl4
-#	Enthalpy of formation:	-236.7 kJ/mol
-
-HfF2
-       HfF2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F-
-        log_k           81.7647
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF2
-#	Enthalpy of formation:	-235 kJ/mol
-
-HfF4
-       HfF4  =  + 1.0000 Hf++++ + 4.0000 F-
-        log_k           -19.2307
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF4
-#	Enthalpy of formation:	-461.4 kJ/mol
-
-HfI2
-       HfI2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I-
-        log_k           117.4971
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI2
-#	Enthalpy of formation:	-65 kJ/mol
-
-HfI4
-       HfI4  =  + 1.0000 Hf++++ + 4.0000 I-
-        log_k           54.1798
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI4
-#	Enthalpy of formation:	-118 kJ/mol
-
-HfN
-       HfN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3
-        log_k           69.4646
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfN
-#	Enthalpy of formation:	-89.3 kJ/mol
-
-HfO2
-       HfO2 +4.0000 H+  =  + 1.0000 Hf++++ + 2.0000 H2O
-        log_k           1.1829
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfO2
-#	Enthalpy of formation:	-267.1 kJ/mol
-
-HfS2
-       HfS2 +2.0000 H+  =  + 1.0000 Hf++++ + 2.0000 HS-
-        log_k           -1.5845
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS2
-#	Enthalpy of formation:	-140 kJ/mol
-
-HfS3
-       HfS3 +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2--
-        log_k           -18.9936
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS3
-#	Enthalpy of formation:	-149 kJ/mol
-
-Hg2SO4
-       Hg2SO4  =  + 1.0000 Hg2++ + 1.0000 SO4--
-        log_k           -6.1170
-	-delta_H	0.30448	kJ/mol	# Calculated enthalpy of reaction	Hg2SO4
-#	Enthalpy of formation:	-743.09 kJ/mol
-        -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001
-#       -Range:  0-200
-
-Hg2SeO3
-       Hg2SeO3  =  + 1.0000 Hg2++ + 1.0000 SeO3--
-        log_k           -14.2132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hg2SeO3
-#	Enthalpy of formation:	0 kcal/mol
-
-HgSeO3
-       HgSeO3  =  + 1.0000 Hg++ + 1.0000 SeO3--
-        log_k           -13.8957
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HgSeO3
-#	Enthalpy of formation:	0 kcal/mol
-
-Hillebrandite
-        Ca2SiO3(OH)2:0.17H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O
-        log_k           36.8190
-	-delta_H	-203.074	kJ/mol	# Calculated enthalpy of reaction	Hillebrandite
-#	Enthalpy of formation:	-637.404 kcal/mol
-        -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005
-#       -Range:  0-300
-
-Hinsdalite
-        Al3PPbSO8(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           9.8218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hinsdalite
-#	Enthalpy of formation:	0 kcal/mol
-
-Ho
-       Ho +3.0000 H+ +0.7500 O2  =  + 1.0000 Ho+++ + 1.5000 H2O
-        log_k           182.8097
-	-delta_H	-1126.75	kJ/mol	# Calculated enthalpy of reaction	Ho
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002
-#       -Range:  0-300
-
-Ho(OH)3
-       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
-        log_k           15.3852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Ho(OH)3(am)
-       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
-        log_k           17.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Ho2(CO3)3
-       Ho2(CO3)3 +3.0000 H+  =  + 2.0000 Ho+++ + 3.0000 HCO3-
-        log_k           -2.8136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Ho2O3
-       Ho2O3 +6.0000 H+  =  + 2.0000 Ho+++ + 3.0000 H2O
-        log_k           47.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-HoF3:.5H2O
-       HoF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F-
-        log_k           -16.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-HoPO4:10H2O
-       HoPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Hopeite
-        Zn3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O
-        log_k           -10.6563
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hopeite
-#	Enthalpy of formation:	0 kcal/mol
-
-Huntite
-        CaMg3(CO3)4 +4.0000 H+  =  + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3-
-        log_k           10.3010
-	-delta_H	-171.096	kJ/mol	# Calculated enthalpy of reaction	Huntite
-#	Enthalpy of formation:	-1082.6 kcal/mol
-        -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002
-#       -Range:  0-300
-
-Hydroboracite
-        MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3
-        log_k           20.3631
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydroboracite
-#	Enthalpy of formation:	0 kcal/mol
-
-Hydrocerussite
-        Pb3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++
-        log_k           1.8477
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrocerussite
-#	Enthalpy of formation:	0 kcal/mol
-
-Hydromagnesite
-        Mg5(CO3)4(OH)2:4H2O +6.0000 H+  =  + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O
-        log_k           30.8539
-	-delta_H	-289.696	kJ/mol	# Calculated enthalpy of reaction	Hydromagnesite
-#	Enthalpy of formation:	-1557.09 kcal/mol
-        -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002
-#       -Range:  0-300
-
-Hydrophilite
-        CaCl2  =  + 1.0000 Ca++ + 2.0000 Cl-
-        log_k           11.7916
-	-delta_H	-81.4545	kJ/mol	# Calculated enthalpy of reaction	Hydrophilite
-#	Enthalpy of formation:	-795.788 kJ/mol
-        -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002
-#       -Range:  0-300
-
-Hydroxylapatite
-        Ca5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++
-        log_k           -3.0746
-	-delta_H	-191.982	kJ/mol	# Calculated enthalpy of reaction	Hydroxylapatite
-#	Enthalpy of formation:	-6685.52 kJ/mol
-        -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002
-#       -Range:  0-300
-
-Hydrozincite
-        Zn5(OH)6(CO3)2 +8.0000 H+  =  + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O
-        log_k           30.3076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrozincite
-#	Enthalpy of formation:	0 kcal/mol
-
-I2
-       I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I-
-        log_k           -24.8084
-	-delta_H	165.967	kJ/mol	# Calculated enthalpy of reaction	I2
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001
-#       -Range:  0-300
-
-Ice
-        H2O  =  + 1.0000 H2O
-        log_k           0.1387
-	-delta_H	6.74879	kJ/mol	# Calculated enthalpy of reaction	Ice
-#	Enthalpy of formation:	-69.93 kcal/mol
-        -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001
-#       -Range:  0-200
-
-Illite
-        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
-        log_k           9.0260
-	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
-#	Enthalpy of formation:	-1394.71 kcal/mol
-        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
-#       -Range:  0-300
-
-Ilmenite
-        FeTiO3 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Fe++ + 1.0000 Ti(OH)4
-        log_k           0.9046
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ilmenite
-#	Enthalpy of formation:	-1236.65 kJ/mol
-
-In
-       In +3.0000 H+ +0.7500 O2  =  + 1.0000 In+++ + 1.5000 H2O
-        log_k           81.6548
-	-delta_H	-524.257	kJ/mol	# Calculated enthalpy of reaction	In
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004
-#       -Range:  0-300
-
-Jadeite
-        NaAl(SiO3)2 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2
-        log_k           8.3888
-	-delta_H	-84.4415	kJ/mol	# Calculated enthalpy of reaction	Jadeite
-#	Enthalpy of formation:	-722.116 kcal/mol
-        -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005
-#       -Range:  0-300
-
-Jarosite
-        KFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -9.3706
-	-delta_H	-191.343	kJ/mol	# Calculated enthalpy of reaction	Jarosite
-#	Enthalpy of formation:	-894.79 kcal/mol
-        -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002
-#       -Range:  0-200
-
-Jarosite-Na
-        NaFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -5.4482
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Jarosite-Na
-#	Enthalpy of formation:	0 kcal/mol
-
-K
-       K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+
-        log_k           70.9861
-	-delta_H	-392.055	kJ/mol	# Calculated enthalpy of reaction	K
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002
-#       -Range:  0-300
-
-K-Feldspar
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           -0.2753
-	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	K-Feldspar
-#	Enthalpy of formation:	-949.188 kcal/mol
-        -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006
-#       -Range:  0-300
-
-K2CO3:1.5H2O
-       K2CO3:1.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+
-        log_k           13.3785
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2CO3:1.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-K2O
-       K2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 K+
-        log_k           84.0405
-	-delta_H	-427.006	kJ/mol	# Calculated enthalpy of reaction	K2O
-#	Enthalpy of formation:	-86.8 kcal/mol
-        -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002
-#       -Range:  0-300
-
-K2Se
-       K2Se  =  + 1.0000 Se-- + 2.0000 K+
-        log_k           11.2925
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2Se
-#	Enthalpy of formation:	-92 kcal/mol
-        -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001
-#       -Range:  0-200
-
-K2UO4
-       K2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+
-        log_k           33.8714
-	-delta_H	-174.316	kJ/mol	# Calculated enthalpy of reaction	K2UO4
-#	Enthalpy of formation:	-1920.7 kJ/mol
-        -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002
-#       -Range:  0-200
-
-K3H(SO4)2
-       K3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+
-        log_k           -3.6233
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K3H(SO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-K8H4(CO3)6:3H2O
-       K8H4(CO3)6:3H2O +2.0000 H+  =  + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+
-        log_k           27.7099
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K8H4(CO3)6:3H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-KAl(SO4)2
-       KAl(SO4)2  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4--
-        log_k           3.3647
-	-delta_H	-139.485	kJ/mol	# Calculated enthalpy of reaction	KAl(SO4)2
-#	Enthalpy of formation:	-2470.29 kJ/mol
-        -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002
-#       -Range:  0-300
-
-KBr
-       KBr  =  + 1.0000 Br- + 1.0000 K+
-        log_k           1.0691
-	-delta_H	20.125	kJ/mol	# Calculated enthalpy of reaction	KBr
-#	Enthalpy of formation:	-393.798 kJ/mol
-        -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000
-#       -Range:  0-300
-
-KMgCl3
-       KMgCl3  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl-
-        log_k           21.2618
-	-delta_H	-132.768	kJ/mol	# Calculated enthalpy of reaction	KMgCl3
-#	Enthalpy of formation:	-1086.6 kJ/mol
-        -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001
-#       -Range:  0-200
-
-KMgCl3:2H2O
-       KMgCl3:2H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl-
-        log_k           13.9755
-	-delta_H	-76.8449	kJ/mol	# Calculated enthalpy of reaction	KMgCl3:2H2O
-#	Enthalpy of formation:	-1714.2 kJ/mol
-        -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001
-#       -Range:  0-200
-
-KNaCO3:6H2O
-       KNaCO3:6H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O
-        log_k           10.2593
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KNaCO3:6H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-KTcO4
-       KTcO4  =  + 1.0000 K+ + 1.0000 TcO4-
-        log_k           -2.2667
-	-delta_H	53.2363	kJ/mol	# Calculated enthalpy of reaction	KTcO4
-#	Enthalpy of formation:	-1021.67 kJ/mol
-        -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005
-#       -Range:  0-300
-
-KUO2AsO4
-       KUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++
-        log_k           -4.1741
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KUO2AsO4
-#	Enthalpy of formation:	0 kcal/mol
-
-Kainite
-        KMgClSO4:3H2O  =  + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O
-        log_k           -0.3114
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kainite
-#	Enthalpy of formation:	0 kcal/mol
-
-Kalicinite
-        KHCO3  =  + 1.0000 HCO3- + 1.0000 K+
-        log_k           0.2837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kalicinite
-#	Enthalpy of formation:	0 kcal/mol
-
-Kalsilite
-        KAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           10.8987
-	-delta_H	-108.583	kJ/mol	# Calculated enthalpy of reaction	Kalsilite
-#	Enthalpy of formation:	-509.408 kcal/mol
-        -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005
-#       -Range:  0-300
-
-Kaolinite
-        Al2Si2O5(OH)4 +6.0000 H+  =  + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O
-        log_k           6.8101
-	-delta_H	-151.779	kJ/mol	# Calculated enthalpy of reaction	Kaolinite
-#	Enthalpy of formation:	-982.221 kcal/mol
-        -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005
-#       -Range:  0-300
-
-Karelianite
-        V2O3 +6.0000 H+  =  + 2.0000 V+++ + 3.0000 H2O
-        log_k           9.9424
-	-delta_H	-160.615	kJ/mol	# Calculated enthalpy of reaction	Karelianite
-#	Enthalpy of formation:	-1218.98 kJ/mol
-        -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005
-#       -Range:  0-300
-
-Kasolite
-        Pb(UO2)SiO4:H2O +4.0000 H+  =  + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
-        log_k           7.2524
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kasolite
-#	Enthalpy of formation:	0 kcal/mol
-
-Katoite
-        Ca3Al2H12O12 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O
-        log_k           78.9437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Katoite
-#	Enthalpy of formation:	0 kcal/mol
-
-Kieserite
-        MgSO4:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4--
-        log_k           -0.2670
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kieserite
-#	Enthalpy of formation:	0 kcal/mol
-
-Klockmannite
-        CuSe  =  + 1.0000 Cu++ + 1.0000 Se--
-        log_k           -41.6172
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Klockmannite
-#	Enthalpy of formation:	-10 kcal/mol
-        -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002
-#       -Range:  0-200
-
-Krutaite
-        CuSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -107.6901
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Krutaite
-#	Enthalpy of formation:	-11.5 kcal/mol
-        -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002
-#       -Range:  0-200
-
-Kyanite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           15.6740
-	-delta_H	-230.919	kJ/mol	# Calculated enthalpy of reaction	Kyanite
-#	Enthalpy of formation:	-616.897 kcal/mol
-        -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002
-#       -Range:  0-300
-
-La
-       La +3.0000 H+ +0.7500 O2  =  + 1.0000 La+++ + 1.5000 H2O
-        log_k           184.7155
-	-delta_H	-1129.26	kJ/mol	# Calculated enthalpy of reaction	La
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002
-#       -Range:  0-300
-
-La(OH)3
-       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
-        log_k           20.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-La(OH)3(am)
-       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
-        log_k           23.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-La2(CO3)3:8H2O
-       La2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O
-        log_k           -4.3136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(CO3)3:8H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-La2O3
-       La2O3 +6.0000 H+  =  + 2.0000 La+++ + 3.0000 H2O
-        log_k           66.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-LaCl3
-       LaCl3  =  + 1.0000 La+++ + 3.0000 Cl-
-        log_k           14.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3
-#	Enthalpy of formation:	0 kcal/mol
-
-LaCl3:7H2O
-       LaCl3:7H2O  =  + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O
-        log_k           4.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3:7H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-LaF3:.5H2O
-       LaF3:.5H2O  =  + 0.5000 H2O + 1.0000 La+++ + 3.0000 F-
-        log_k           -18.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-LaPO4:10H2O
-       LaPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O
-        log_k           -12.3782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Lammerite
-        Cu3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cu++
-        log_k           1.5542
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lammerite
-#	Enthalpy of formation:	0 kcal/mol
-Lanarkite
-        Pb2(SO4)O +2.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++
-        log_k           -0.4692
-	-delta_H	-22.014	kJ/mol	# Calculated enthalpy of reaction	Lanarkite
-#	Enthalpy of formation:	-1171.59 kJ/mol
-        -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004
-#       -Range:  0-200
-
-Lansfordite
-        MgCO3:5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O
-        log_k           4.8409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lansfordite
-#	Enthalpy of formation:	0 kcal/mol
-
-Larnite
-        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
-        log_k           38.4665
-	-delta_H	-227.061	kJ/mol	# Calculated enthalpy of reaction	Larnite
-#	Enthalpy of formation:	-551.74 kcal/mol
-        -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004
-#       -Range:  0-300
-
-Laumontite
-        CaAl2Si4O12:4H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O
-        log_k           13.6667
-	-delta_H	-184.657	kJ/mol	# Calculated enthalpy of reaction	Laumontite
-#	Enthalpy of formation:	-1728.66 kcal/mol
-        -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006
-#       -Range:  0-300
-
-Laurite
-        RuS2  =  + 1.0000 Ru++ + 1.0000 S2--
-        log_k           -73.2649
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Laurite
-#	Enthalpy of formation:	-199.586 kJ/mol
-
-Lawrencite
-        FeCl2  =  + 1.0000 Fe++ + 2.0000 Cl-
-        log_k           9.0945
-	-delta_H	-84.7665	kJ/mol	# Calculated enthalpy of reaction	Lawrencite
-#	Enthalpy of formation:	-341.65 kJ/mol
-        -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002
-#       -Range:  0-300
-
-Lawsonite
-        CaAl2Si2O7(OH)2:H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O
-        log_k           22.2132
-	-delta_H	-244.806	kJ/mol	# Calculated enthalpy of reaction	Lawsonite
-#	Enthalpy of formation:	-1158.1 kcal/mol
-        -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002
-#       -Range:  0-300
-
-Leonite
-        K2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -4.1123
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Leonite
-#	Enthalpy of formation:	0 kcal/mol
-
-Li
-       Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+
-        log_k           72.7622
-	-delta_H	-418.339	kJ/mol	# Calculated enthalpy of reaction	Li
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005
-#       -Range:  0-300
-
-Li2Se
-       Li2Se +1.5000 O2  =  + 1.0000 SeO3-- + 2.0000 Li+
-        log_k           102.8341
-	-delta_H	-646.236	kJ/mol	# Calculated enthalpy of reaction	Li2Se
-#	Enthalpy of formation:	-96 kcal/mol
-        -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002
-#       -Range:  0-200
-
-Li2UO4
-       Li2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+
-        log_k           27.8421
-	-delta_H	-179.384	kJ/mol	# Calculated enthalpy of reaction	Li2UO4
-#	Enthalpy of formation:	-1968.2 kJ/mol
-        -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002
-#       -Range:  0-200
-
-LiUO2AsO4
-       LiUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++
-        log_k           -0.7862
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiUO2AsO4
-#	Enthalpy of formation:	0 kcal/mol
-
-Lime
-        CaO +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O
-        log_k           32.5761
-	-delta_H	-193.832	kJ/mol	# Calculated enthalpy of reaction	Lime
-#	Enthalpy of formation:	-151.79 kcal/mol
-        -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002
-#       -Range:  0-300
-
-Linnaeite
-        Co3S4 +4.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS-
-        log_k           -106.9017
-	-delta_H	420.534	kJ/mol	# Calculated enthalpy of reaction	Linnaeite
-#	Enthalpy of formation:	-85.81 kcal/mol
-        -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002
-#       -Range:  0-300
-
-Litharge
-        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           12.6388
-	-delta_H	-65.9118	kJ/mol	# Calculated enthalpy of reaction	Litharge
-#	Enthalpy of formation:	-219.006 kJ/mol
-        -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001
-#       -Range:  0-200
-
-Lopezite
-        K2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+
-        log_k           -17.4366
-	-delta_H	81.9227	kJ/mol	# Calculated enthalpy of reaction	Lopezite
-#	Enthalpy of formation:	-493.003 kcal/mol
-        -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002
-#       -Range:  0-200
-
-Lu
-       Lu +3.0000 H+ +0.7500 O2  =  + 1.0000 Lu+++ + 1.5000 H2O
-        log_k           181.3437
-	-delta_H	-1122.15	kJ/mol	# Calculated enthalpy of reaction	Lu
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002
-#       -Range:  0-300
-
-Lu(OH)3
-       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
-        log_k           14.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Lu(OH)3(am)
-       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Lu2(CO3)3
-       Lu2(CO3)3 +3.0000 H+  =  + 2.0000 Lu+++ + 3.0000 HCO3-
-        log_k           -2.0136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Lu2O3
-       Lu2O3 +6.0000 H+  =  + 2.0000 Lu+++ + 3.0000 H2O
-        log_k           45.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-LuF3:.5H2O
-       LuF3:.5H2O  =  + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F-
-        log_k           -15.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-LuPO4:10H2O
-       LuPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O
-        log_k           -11.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Magnesiochromite
-        MgCr2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           21.6927
-	-delta_H	-302.689	kJ/mol	# Calculated enthalpy of reaction	Magnesiochromite
-#	Enthalpy of formation:	-1783.6 kJ/mol
-        -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002
-#       -Range:  0-200
-
-Magnesite
-        MgCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++
-        log_k           2.2936
-	-delta_H	-44.4968	kJ/mol	# Calculated enthalpy of reaction	Magnesite
-#	Enthalpy of formation:	-265.63 kcal/mol
-        -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002
-#       -Range:  0-300
-
-Magnetite
-        Fe3O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           10.4724
-	-delta_H	-216.597	kJ/mol	# Calculated enthalpy of reaction	Magnetite
-#	Enthalpy of formation:	-267.25 kcal/mol
-        -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002
-#       -Range:  0-300
-
-Malachite
-        Cu2CO3(OH)2 +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O
-        log_k           5.9399
-	-delta_H	-76.2827	kJ/mol	# Calculated enthalpy of reaction	Malachite
-#	Enthalpy of formation:	-251.9 kcal/mol
-        -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002
-#       -Range:  0-300
-
-Manganite
-        MnO(OH) +3.0000 H+  =  + 1.0000 Mn+++ + 2.0000 H2O
-        log_k           -0.1646
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Manganite
-#	Enthalpy of formation:	0 kcal/mol
-
-Manganosite
-        MnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++
-        log_k           17.9240
-	-delta_H	-121.215	kJ/mol	# Calculated enthalpy of reaction	Manganosite
-#	Enthalpy of formation:	-92.07 kcal/mol
-        -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002
-#       -Range:  0-300
-
-Margarite
-        CaAl4Si2O10(OH)2 +14.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O
-        log_k           41.0658
-	-delta_H	-522.192	kJ/mol	# Calculated enthalpy of reaction	Margarite
-#	Enthalpy of formation:	-1485.8 kcal/mol
-        -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002
-#       -Range:  0-300
-
-Massicot
-        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           12.8210
-	-delta_H	-67.6078	kJ/mol	# Calculated enthalpy of reaction	Massicot
-#	Enthalpy of formation:	-217.31 kJ/mol
-        -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001
-#       -Range:  0-200
-
-Matlockite
-        PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
-        log_k           -9.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Matlockite
-#	Enthalpy of formation:	0 kcal/mol
-
-Maximum_Microcline
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           -0.2753
-	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	Maximum_Microcline
-#	Enthalpy of formation:	-949.188 kcal/mol
-        -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006
-#       -Range:  0-300
-
-Mayenite
-        Ca12Al14O33 +66.0000 H+  =  + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O
-        log_k           494.2199
-	-delta_H	-4056.77	kJ/mol	# Calculated enthalpy of reaction	Mayenite
-#	Enthalpy of formation:	-4644 kcal/mol
-        -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003
-#       -Range:  0-200
-
-Melanterite
-        FeSO4:7H2O  =  + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.3490
-	-delta_H	11.7509	kJ/mol	# Calculated enthalpy of reaction	Melanterite
-#	Enthalpy of formation:	-3014.48 kJ/mol
-        -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002
-#       -Range:  0-300
-
-Mercallite
-        KHSO4  =  + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4--
-        log_k           -1.4389
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mercallite
-#	Enthalpy of formation:	0 kcal/mol
-
-Merwinite
-        MgCa3(SiO4)2 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O
-        log_k           68.5140
-	-delta_H	-430.069	kJ/mol	# Calculated enthalpy of reaction	Merwinite
-#	Enthalpy of formation:	-1090.8 kcal/mol
-        -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005
-#       -Range:  0-300
-
-Mesolite
-        Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+  =  + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O
-        log_k           13.6191
-	-delta_H	-179.744	kJ/mol	# Calculated enthalpy of reaction	Mesolite
-#	Enthalpy of formation:	-5947.05 kJ/mol
-        -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005
-#       -Range:  0-300
-
-Metacinnabar
-        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
-        log_k           -38.5979
-	-delta_H	203.426	kJ/mol	# Calculated enthalpy of reaction	Metacinnabar
-#	Enthalpy of formation:	-11.8 kcal/mol
-        -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002
-#       -Range:  0-300
-
-Mg
-       Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++
-        log_k           122.5365
-	-delta_H	-745.731	kJ/mol	# Calculated enthalpy of reaction	Mg
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002
-#       -Range:  0-300
-
-Mg1.25SO4(OH)0.5:0.5H2O
-       Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++
-        log_k           5.2600
-	-delta_H	-97.1054	kJ/mol	# Calculated enthalpy of reaction	Mg1.25SO4(OH)0.5:0.5H2O
-#	Enthalpy of formation:	-401.717 kcal/mol
-        -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002
-#       -Range:  0-300
-
-Mg1.5SO4(OH)
-       Mg1.5SO4(OH) +1.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++
-        log_k           9.2551
-	-delta_H	-125.832	kJ/mol	# Calculated enthalpy of reaction	Mg1.5SO4(OH)
-#	Enthalpy of formation:	-422.693 kcal/mol
-        -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002
-#       -Range:  0-300
-
-Mg2V2O7
-       Mg2V2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4---
-        log_k           -30.9025
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg2V2O7
-#	Enthalpy of formation:	-2836.23 kJ/mol
-
-MgBr2
-       MgBr2  =  + 1.0000 Mg++ + 2.0000 Br-
-        log_k           28.5302
-	-delta_H	-190.15	kJ/mol	# Calculated enthalpy of reaction	MgBr2
-#	Enthalpy of formation:	-124 kcal/mol
-        -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002
-#       -Range:  0-300
-
-MgBr2:6H2O
-       MgBr2:6H2O  =  + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O
-        log_k           5.1656
-	-delta_H	-14.2682	kJ/mol	# Calculated enthalpy of reaction	MgBr2:6H2O
-#	Enthalpy of formation:	-2409.73 kJ/mol
-        -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001
-#       -Range:  0-200
-
-MgCl2:2H2O
-       MgCl2:2H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           12.7763
-	-delta_H	-92.0895	kJ/mol	# Calculated enthalpy of reaction	MgCl2:2H2O
-#	Enthalpy of formation:	-1279.71 kJ/mol
-        -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002
-#       -Range:  0-300
-
-MgCl2:4H2O
-       MgCl2:4H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           7.3581
-	-delta_H	-44.4602	kJ/mol	# Calculated enthalpy of reaction	MgCl2:4H2O
-#	Enthalpy of formation:	-1899.01 kJ/mol
-        -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002
-#       -Range:  0-300
-
-MgCl2:H2O
-       MgCl2:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl-
-        log_k           16.1187
-	-delta_H	-119.326	kJ/mol	# Calculated enthalpy of reaction	MgCl2:H2O
-#	Enthalpy of formation:	-966.631 kJ/mol
-        -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002
-#       -Range:  0-300
-
-MgOHCl
-       MgOHCl +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++
-        log_k           15.9138
-	-delta_H	-118.897	kJ/mol	# Calculated enthalpy of reaction	MgOHCl
-#	Enthalpy of formation:	-191.2 kcal/mol
-        -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002
-#       -Range:  0-300
-
-MgSO4
-       MgSO4  =  + 1.0000 Mg++ + 1.0000 SO4--
-        log_k           4.8781
-	-delta_H	-90.6421	kJ/mol	# Calculated enthalpy of reaction	MgSO4
-#	Enthalpy of formation:	-1284.92 kJ/mol
-        -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002
-#       -Range:  0-300
-
-MgSeO3
-       MgSeO3  =  + 1.0000 Mg++ + 1.0000 SeO3--
-        log_k           1.7191
-	-delta_H	-74.9647	kJ/mol	# Calculated enthalpy of reaction	MgSeO3
-#	Enthalpy of formation:	-215.15 kcal/mol
-        -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002
-#       -Range:  0-300
-
-MgSeO3:6H2O
-       MgSeO3:6H2O  =  + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O
-        log_k           -3.4222
-	-delta_H	11.7236	kJ/mol	# Calculated enthalpy of reaction	MgSeO3:6H2O
-#	Enthalpy of formation:	-645.771 kcal/mol
-        -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001
-#       -Range:  0-200
-
-MgUO4
-       MgUO4 +4.0000 H+  =  + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           23.0023
-	-delta_H	-199.336	kJ/mol	# Calculated enthalpy of reaction	MgUO4
-#	Enthalpy of formation:	-1857.3 kJ/mol
-        -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002
-#       -Range:  0-300
-
-MgV2O6
-       MgV2O6 +2.0000 H2O  =  + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -45.8458
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgV2O6
-#	Enthalpy of formation:	-2201.88 kJ/mol
-
-Millerite
-        NiS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Ni++
-        log_k           -8.0345
-	-delta_H	12.089	kJ/mol	# Calculated enthalpy of reaction	Millerite
-#	Enthalpy of formation:	-82.171 kJ/mol
-        -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001
-#       -Range:  0-300
-
-Minium
-        Pb3O4 +8.0000 H+  =  + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O
-        log_k           16.2585
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Minium
-#	Enthalpy of formation:	-718.493 kJ/mol
-
-Minnesotaite
-        Fe3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           13.9805
-	-delta_H	-105.211	kJ/mol	# Calculated enthalpy of reaction	Minnesotaite
-#	Enthalpy of formation:	-1153.37 kcal/mol
-        -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006
-#       -Range:  0-300
-
-Mirabilite
-        Na2SO4:10H2O  =  + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O
-        log_k           -1.1398
-	-delta_H	79.4128	kJ/mol	# Calculated enthalpy of reaction	Mirabilite
-#	Enthalpy of formation:	-4328 kJ/mol
-        -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002
-#       -Range:  0-200
-
-Misenite
-        K8H6(SO4)7  =  + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+
-        log_k           -11.0757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Misenite
-#	Enthalpy of formation:	0 kcal/mol
-
-Mn
-       Mn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mn++
-        log_k           82.9505
-	-delta_H	-500.369	kJ/mol	# Calculated enthalpy of reaction	Mn
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002
-#       -Range:  0-300
-
-Mn(OH)2(am)
-       Mn(OH)2 +2.0000 H+  =  + 1.0000 Mn++ + 2.0000 H2O
-        log_k           15.3102
-	-delta_H	-97.1779	kJ/mol	# Calculated enthalpy of reaction	Mn(OH)2(am)
-#	Enthalpy of formation:	-695.096 kJ/mol
-        -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002
-#       -Range:  0-200
-
-Mn(OH)3
-       Mn(OH)3 +3.0000 H+  =  + 1.0000 Mn+++ + 3.0000 H2O
-        log_k           6.3412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Mn3(PO4)2
-       Mn3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Mn++
-        log_k           0.8167
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-MnCl2:2H2O
-       MnCl2:2H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           4.0067
-	-delta_H	-34.4222	kJ/mol	# Calculated enthalpy of reaction	MnCl2:2H2O
-#	Enthalpy of formation:	-1092.01 kJ/mol
-        -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001
-#       -Range:  0-200
-
-MnCl2:4H2O
-       MnCl2:4H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           2.7563
-	-delta_H	-10.7019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:4H2O
-#	Enthalpy of formation:	-1687.41 kJ/mol
-        -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001
-#       -Range:  0-200
-
-MnCl2:H2O
-       MnCl2:H2O  =  + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl-
-        log_k           5.5517
-	-delta_H	-50.8019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:H2O
-#	Enthalpy of formation:	-789.793 kJ/mol
-        -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001
-#       -Range:  0-200
-
-MnHPO4
-       MnHPO4  =  + 1.0000 HPO4-- + 1.0000 Mn++
-        log_k           -12.9470
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
-#	Enthalpy of formation:	0 kcal/mol
-
-MnO2(gamma)
-       MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
-        log_k           -16.1261
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnO2(gamma)
-#	Enthalpy of formation:	0 kcal/mol
-
-MnSO4
-       MnSO4  =  + 1.0000 Mn++ + 1.0000 SO4--
-        log_k           2.6561
-	-delta_H	-64.8718	kJ/mol	# Calculated enthalpy of reaction	MnSO4
-#	Enthalpy of formation:	-1065.33 kJ/mol
-        -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002
-#       -Range:  0-300
-
-MnSe
-       MnSe  =  + 1.0000 Mn++ + 1.0000 Se--
-        log_k           -10.6848
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSe
-#	Enthalpy of formation:	-37 kcal/mol
-        -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001
-#       -Range:  0-300
-
-MnSeO3
-       MnSeO3  =  + 1.0000 Mn++ + 1.0000 SeO3--
-        log_k           -7.2700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO3
-#	Enthalpy of formation:	0 kcal/mol
-
-MnSeO3:2H2O
-       MnSeO3:2H2O  =  + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -6.3219
-	-delta_H	14.0792	kJ/mol	# Calculated enthalpy of reaction	MnSeO3:2H2O
-#	Enthalpy of formation:	-314.423 kcal/mol
-        -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000
-#       -Range:  0-200
-
-MnV2O6
-       MnV2O6 +2.0000 H2O  =  + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -52.0751
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnV2O6
-#	Enthalpy of formation:	-447.9 kcal/mol
-
-Mo
-       Mo +1.5000 O2 +1.0000 H2O  =  + 1.0000 MoO4-- + 2.0000 H+
-        log_k           109.3230
-	-delta_H	-693.845	kJ/mol	# Calculated enthalpy of reaction	Mo
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005
-#       -Range:  0-300
-
-MoSe2
-       MoSe2 +3.0000 H2O +0.5000 O2  =  + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+
-        log_k           -55.1079
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MoSe2
-#	Enthalpy of formation:	-47 kcal/mol
-        -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002
-#       -Range:  0-200
-
-Modderite
-        CoAs +3.0000 H+  =  + 1.0000 AsH3 + 1.0000 Co+++
-        log_k           -49.5512
-	-delta_H	189.016	kJ/mol	# Calculated enthalpy of reaction	Modderite
-#	Enthalpy of formation:	-12.208 kcal/mol
-
-Molysite
-        FeCl3  =  + 1.0000 Fe+++ + 3.0000 Cl-
-        log_k           13.5517
-	-delta_H	-151.579	kJ/mol	# Calculated enthalpy of reaction	Molysite
-#	Enthalpy of formation:	-399.24 kJ/mol
-        -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002
-#       -Range:  0-300
-
-Monohydrocalcite
-        CaCO3:H2O +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           2.6824
-	-delta_H	-20.5648	kJ/mol	# Calculated enthalpy of reaction	Monohydrocalcite
-#	Enthalpy of formation:	-1498.29 kJ/mol
-        -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001
-#       -Range:  0-200
-
-Monteponite
-        CdO +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O
-        log_k           15.0972
-	-delta_H	-103.386	kJ/mol	# Calculated enthalpy of reaction	Monteponite
-#	Enthalpy of formation:	-258.35 kJ/mol
-        -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002
-#       -Range:  0-200
-
-Monticellite
-        CaMgSiO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           29.5852
-	-delta_H	-195.711	kJ/mol	# Calculated enthalpy of reaction	Monticellite
-#	Enthalpy of formation:	-540.8 kcal/mol
-        -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002
-#       -Range:  0-300
-
-Montmor-Ca
-        Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.4952
-	-delta_H	-100.154	kJ/mol	# Calculated enthalpy of reaction	Montmor-Ca
-#	Enthalpy of formation:	-1361.5 kcal/mol
-        -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006
-#       -Range:  0-300
-
-Montmor-Cs
-        Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           1.9913
-	-delta_H	-87.2259	kJ/mol	# Calculated enthalpy of reaction	Montmor-Cs
-#	Enthalpy of formation:	-1363.52 kcal/mol
-        -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006
-#       -Range:  0-300
-
-Montmor-K
-        K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.1423
-	-delta_H	-88.184	kJ/mol	# Calculated enthalpy of reaction	Montmor-K
-#	Enthalpy of formation:	-1362.83 kcal/mol
-        -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006
-#       -Range:  0-300
-
-Montmor-Mg
-        Mg.495Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.3879
-	-delta_H	-102.608	kJ/mol	# Calculated enthalpy of reaction	Montmor-Mg
-#	Enthalpy of formation:	-1357.87 kcal/mol
-        -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006
-#       -Range:  0-300
-
-Montmor-Na
-        Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.4844
-	-delta_H	-93.2165	kJ/mol	# Calculated enthalpy of reaction	Montmor-Na
-#	Enthalpy of formation:	-1360.69 kcal/mol
-        -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006
-#       -Range:  0-300
-
-Montroydite
-        HgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Hg++
-        log_k           2.4486
-	-delta_H	-24.885	kJ/mol	# Calculated enthalpy of reaction	Montroydite
-#	Enthalpy of formation:	-90.79 kJ/mol
-        -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001
-#       -Range:  0-300
-
-Mordenite
-        Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O
-        log_k           -5.1969
-	-delta_H	16.7517	kJ/mol	# Calculated enthalpy of reaction	Mordenite
-#	Enthalpy of formation:	-6736.64 kJ/mol
-        -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006
-#       -Range:  0-300
-
-Mordenite-dehy
-        Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2
-        log_k           9.9318
-	-delta_H	-86.159	kJ/mol	# Calculated enthalpy of reaction	Mordenite-dehy
-#	Enthalpy of formation:	-5642.44 kJ/mol
-        -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006
-#       -Range:  0-300
-
-Morenosite
-        NiSO4:7H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.0140
-	-delta_H	12.0185	kJ/mol	# Calculated enthalpy of reaction	Morenosite
-#	Enthalpy of formation:	-2976.46 kJ/mol
-        -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002
-#       -Range:  0-300
-
-Muscovite
-        KAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           13.5858
-	-delta_H	-243.224	kJ/mol	# Calculated enthalpy of reaction	Muscovite
-#	Enthalpy of formation:	-1427.41 kcal/mol
-        -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005
-#       -Range:  0-300
-
-NH4HSe
-       NH4HSe  =  + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+
-        log_k           -22.0531
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4HSe
-#	Enthalpy of formation:	-133.041 kJ/mol
-        -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001
-#       -Range:  0-200
-Na
-       Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+
-        log_k           67.3804
-	-delta_H	-380.185	kJ/mol	# Calculated enthalpy of reaction	Na
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004
-#       -Range:  0-300
-
-Na2CO3
-       Na2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+
-        log_k           11.1822
-	-delta_H	-39.8526	kJ/mol	# Calculated enthalpy of reaction	Na2CO3
-#	Enthalpy of formation:	-1130.68 kJ/mol
-        -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002
-#       -Range:  0-300
-
-Na2CO3:7H2O
-       Na2CO3:7H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O
-        log_k           9.9459
-	-delta_H	27.7881	kJ/mol	# Calculated enthalpy of reaction	Na2CO3:7H2O
-#	Enthalpy of formation:	-3199.19 kJ/mol
-        -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002
-#       -Range:  0-200
-
-Na2Cr2O7
-       Na2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+
-        log_k           -10.1597
-	-delta_H	21.9702	kJ/mol	# Calculated enthalpy of reaction	Na2Cr2O7
-#	Enthalpy of formation:	-473 kcal/mol
-        -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001
-#       -Range:  0-200
-
-Na2CrO4
-       Na2CrO4  =  + 1.0000 CrO4-- + 2.0000 Na+
-        log_k           2.9103
-	-delta_H	-19.5225	kJ/mol	# Calculated enthalpy of reaction	Na2CrO4
-#	Enthalpy of formation:	-320.8 kcal/mol
-        -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Na2O
-       Na2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+
-        log_k           67.4269
-	-delta_H	-351.636	kJ/mol	# Calculated enthalpy of reaction	Na2O
-#	Enthalpy of formation:	-99.14 kcal/mol
-        -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002
-#       -Range:  0-300
-
-Na2Se
-       Na2Se  =  + 1.0000 Se-- + 2.0000 Na+
-        log_k           11.8352
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se
-#	Enthalpy of formation:	-81.9 kcal/mol
-        -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Na2Se2
-       Na2Se2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se--
-        log_k           -61.3466
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se2
-#	Enthalpy of formation:	-92.8 kcal/mol
-        -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002
-#       -Range:  0-200
-
-Na2SiO3
-       Na2SiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+
-        log_k           22.2418
-	-delta_H	-82.7093	kJ/mol	# Calculated enthalpy of reaction	Na2SiO3
-#	Enthalpy of formation:	-373.19 kcal/mol
-        -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005
-#       -Range:  0-300
-
-Na2U2O7
-       Na2U2O7 +6.0000 H+  =  + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           22.5917
-	-delta_H	-172.314	kJ/mol	# Calculated enthalpy of reaction	Na2U2O7
-#	Enthalpy of formation:	-3203.8 kJ/mol
-        -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002
-#       -Range:  0-300
-
-Na2UO4(alpha)
-       Na2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+
-        log_k           30.0231
-	-delta_H	-173.576	kJ/mol	# Calculated enthalpy of reaction	Na2UO4(alpha)
-#	Enthalpy of formation:	-1897.7 kJ/mol
-        -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002
-#       -Range:  0-300
-
-Na3H(SO4)2
-       Na3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+
-        log_k           -0.8906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na3H(SO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Na3UO4
-       Na3UO4 +4.0000 H+  =  + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+
-        log_k           56.2574
-	-delta_H	-293.703	kJ/mol	# Calculated enthalpy of reaction	Na3UO4
-#	Enthalpy of formation:	-2024 kJ/mol
-        -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002
-#       -Range:  0-300
-
-Na4Ca(SO4)3:2H2O
-       Na4Ca(SO4)3:2H2O  =  + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+
-        log_k           -5.8938
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4Ca(SO4)3:2H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Na4SiO4
-       Na4SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+
-        log_k           70.6449
-	-delta_H	-327.779	kJ/mol	# Calculated enthalpy of reaction	Na4SiO4
-#	Enthalpy of formation:	-497.8 kcal/mol
-        -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005
-#       -Range:  0-300
-
-Na4UO2(CO3)3
-       Na4UO2(CO3)3 +3.0000 H+  =  + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+
-        log_k           4.0395
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4UO2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Na6Si2O7
-       Na6Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+
-        log_k           101.6199
-	-delta_H	-471.951	kJ/mol	# Calculated enthalpy of reaction	Na6Si2O7
-#	Enthalpy of formation:	-856.3 kcal/mol
-        -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006
-#       -Range:  0-300
-
-NaBr
-       NaBr  =  + 1.0000 Br- + 1.0000 Na+
-        log_k           2.9739
-	-delta_H	-0.741032	kJ/mol	# Calculated enthalpy of reaction	NaBr
-#	Enthalpy of formation:	-361.062 kJ/mol
-        -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001
-#       -Range:  0-300
-
-NaBr:2H2O
-       NaBr:2H2O  =  + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O
-        log_k           2.1040
-	-delta_H	18.4883	kJ/mol	# Calculated enthalpy of reaction	NaBr:2H2O
-#	Enthalpy of formation:	-951.968 kJ/mol
-        -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001
-#       -Range:  0-200
-
-NaFeO2
-       NaFeO2 +4.0000 H+  =  + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O
-        log_k           19.8899
-	-delta_H	-163.339	kJ/mol	# Calculated enthalpy of reaction	NaFeO2
-#	Enthalpy of formation:	-698.218 kJ/mol
-        -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002
-#       -Range:  0-200
-
-NaNpO2CO3:3.5H2O
-       NaNpO2CO3:3.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O
-        log_k           -1.2342
-	-delta_H	27.0979	kJ/mol	# Calculated enthalpy of reaction	NaNpO2CO3:3.5H2O
-#	Enthalpy of formation:	-2935.76 kJ/mol
-        -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001
-#       -Range:  0-300
-
-NaTcO4
-       NaTcO4  =  + 1.0000 Na+ + 1.0000 TcO4-
-        log_k           1.5208
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaTcO4
-#	Enthalpy of formation:	0 kcal/mol
-
-NaUO3
-       NaUO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+
-        log_k           8.3371
-	-delta_H	-56.365	kJ/mol	# Calculated enthalpy of reaction	NaUO3
-#	Enthalpy of formation:	-1494.9 kJ/mol
-        -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001
-#       -Range:  0-300
-
-Nahcolite
-        NaHCO3  =  + 1.0000 HCO3- + 1.0000 Na+
-        log_k           -0.1118
-	-delta_H	17.0247	kJ/mol	# Calculated enthalpy of reaction	Nahcolite
-#	Enthalpy of formation:	-226.4 kcal/mol
-        -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001
-#       -Range:  0-300
-
-Nantokite
-        CuCl  =  + 1.0000 Cl- + 1.0000 Cu+
-        log_k           -6.7623
-	-delta_H	41.9296	kJ/mol	# Calculated enthalpy of reaction	Nantokite
-#	Enthalpy of formation:	-137.329 kJ/mol
-        -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001
-#       -Range:  0-200
-
-Natrolite
-        Na2Al2Si3O10:2H2O +8.0000 H+  =  + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           18.5204
-	-delta_H	-186.971	kJ/mol	# Calculated enthalpy of reaction	Natrolite
-#	Enthalpy of formation:	-5718.56 kJ/mol
-        -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005
-#       -Range:  0-300
-
-Natron
-        Na2CO3:10H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O
-        log_k           9.6102
-	-delta_H	50.4781	kJ/mol	# Calculated enthalpy of reaction	Natron
-#	Enthalpy of formation:	-4079.39 kJ/mol
-        -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001
-#       -Range:  0-300
-
-Natrosilite
-        Na2Si2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2
-        log_k           18.1337
-	-delta_H	-51.7686	kJ/mol	# Calculated enthalpy of reaction	Natrosilite
-#	Enthalpy of formation:	-590.36 kcal/mol
-        -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006
-#       -Range:  0-300
-
-Naumannite
-        Ag2Se  =  + 1.0000 Se-- + 2.0000 Ag+
-        log_k           -57.4427
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Naumannite
-#	Enthalpy of formation:	-37.441 kJ/mol
-        -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002
-#       -Range:  0-300
-
-Nd
-       Nd +3.0000 H+ +0.7500 O2  =  + 1.0000 Nd+++ + 1.5000 H2O
-        log_k           182.2233
-	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Nd
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005
-#       -Range:  0-300
-
-Nd(OH)3
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           18.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Nd(OH)3(am)
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           20.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Nd(OH)3(c)
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           15.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(c)
-#	Enthalpy of formation:	0 kcal/mol
-
-Nd2(CO3)3
-       Nd2(CO3)3 +3.0000 H+  =  + 2.0000 Nd+++ + 3.0000 HCO3-
-        log_k           -3.6636
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Nd2O3
-       Nd2O3 +6.0000 H+  =  + 2.0000 Nd+++ + 3.0000 H2O
-        log_k           58.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-NdF3:.5H2O
-       NdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F-
-        log_k           -18.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-NdOHCO3
-       NdOHCO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++
-        log_k           2.8239
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdOHCO3
-#	Enthalpy of formation:	0 kcal/mol
-
-NdPO4:10H2O
-       NdPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Nepheline
-        NaAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           13.8006
-	-delta_H	-135.068	kJ/mol	# Calculated enthalpy of reaction	Nepheline
-#	Enthalpy of formation:	-500.241 kcal/mol
-        -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005
-#       -Range:  0-300
-
-Nesquehonite
-        MgCO3:3H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O
-        log_k           4.9955
-	-delta_H	-36.1498	kJ/mol	# Calculated enthalpy of reaction	Nesquehonite
-#	Enthalpy of formation:	-472.576 kcal/mol
-        -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006
-#       -Range:  0-300
-
-Ni
-       Ni +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ni++
-        log_k           50.9914
-	-delta_H	-333.745	kJ/mol	# Calculated enthalpy of reaction	Ni
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002
-#       -Range:  0-300
-
-Ni(OH)2
-       Ni(OH)2 +2.0000 H+  =  + 1.0000 Ni++ + 2.0000 H2O
-        log_k           12.7485
-	-delta_H	-95.6523	kJ/mol	# Calculated enthalpy of reaction	Ni(OH)2
-#	Enthalpy of formation:	-529.998 kJ/mol
-        -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002
-#       -Range:  0-200
-
-Ni2P2O7
-       Ni2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 Ni++
-        log_k           -8.8991
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2P2O7
-#	Enthalpy of formation:	0 kcal/mol
-
-Ni2SiO4
-       Ni2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++
-        log_k           14.3416
-	-delta_H	-127.629	kJ/mol	# Calculated enthalpy of reaction	Ni2SiO4
-#	Enthalpy of formation:	-341.705 kcal/mol
-        -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005
-#       -Range:  0-300
-
-Ni3(PO4)2
-       Ni3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ni++
-        log_k           -6.6414
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-NiCO3
-       NiCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Ni++
-        log_k           3.5118
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiCO3
-#	Enthalpy of formation:	0 kcal/mol
-
-NiCl2
-       NiCl2  =  + 1.0000 Ni++ + 2.0000 Cl-
-        log_k           8.6113
-	-delta_H	-82.7969	kJ/mol	# Calculated enthalpy of reaction	NiCl2
-#	Enthalpy of formation:	-305.336 kJ/mol
-        -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001
-#       -Range:  0-200
-
-NiCl2:2H2O
-       NiCl2:2H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           3.9327
-	-delta_H	-37.6746	kJ/mol	# Calculated enthalpy of reaction	NiCl2:2H2O
-#	Enthalpy of formation:	-922.135 kJ/mol
-        -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001
-#       -Range:  0-200
-
-NiCl2:4H2O
-       NiCl2:4H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           3.8561
-	-delta_H	-15.4373	kJ/mol	# Calculated enthalpy of reaction	NiCl2:4H2O
-#	Enthalpy of formation:	-1516.05 kJ/mol
-        -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001
-#       -Range:  0-200
-
-NiF2
-       NiF2  =  + 1.0000 Ni++ + 2.0000 F-
-        log_k           0.8772
-	-delta_H	-73.1438	kJ/mol	# Calculated enthalpy of reaction	NiF2
-#	Enthalpy of formation:	-651.525 kJ/mol
-        -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002
-#       -Range:  0-300
-
-NiF2:4H2O
-       NiF2:4H2O  =  + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O
-        log_k           -4.0588
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiF2:4H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-NiSO4
-       NiSO4  =  + 1.0000 Ni++ + 1.0000 SO4--
-        log_k           5.3197
-	-delta_H	-90.5092	kJ/mol	# Calculated enthalpy of reaction	NiSO4
-#	Enthalpy of formation:	-873.066 kJ/mol
-        -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002
-#       -Range:  0-300
-
-NiSO4:6H2O(alpha)
-       NiSO4:6H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -2.0072
-	-delta_H	4.37983	kJ/mol	# Calculated enthalpy of reaction	NiSO4:6H2O(alpha)
-#	Enthalpy of formation:	-2682.99 kJ/mol
-        -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001
-#       -Range:  0-200
-
-Nickelbischofite
-        NiCl2:6H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           3.1681
-	-delta_H	0.064088	kJ/mol	# Calculated enthalpy of reaction	Nickelbischofite
-#	Enthalpy of formation:	-2103.23 kJ/mol
-        -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001
-#       -Range:  0-200
-
-Ningyoite
-        CaUP2O8:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4--
-        log_k           -29.7931
-	-delta_H	-36.4769	kJ/mol	# Calculated enthalpy of reaction	Ningyoite
-#	Enthalpy of formation:	-1016.65 kcal/mol
-        -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001
-#       -Range:  0-200
-
-Niter
-        KNO3  =  + 1.0000 K+ + 1.0000 NO3-
-        log_k           -0.2061
-	-delta_H	35.4794	kJ/mol	# Calculated enthalpy of reaction	Niter
-#	Enthalpy of formation:	-494.46 kJ/mol
-        -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000
-#       -Range:  0-300
-
-Nitrobarite
-        Ba(NO3)2  =  + 1.0000 Ba++ + 2.0000 NO3-
-        log_k           -2.4523
-	-delta_H	40.8161	kJ/mol	# Calculated enthalpy of reaction	Nitrobarite
-#	Enthalpy of formation:	-992.082 kJ/mol
-        -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001
-#       -Range:  0-300
-
-Nontronite-Ca
-        Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.5822
-	-delta_H	-38.138	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Ca
-#	Enthalpy of formation:	-1166.7 kcal/mol
-        -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006
-#       -Range:  0-300
-
-Nontronite-Cs
-        Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           5.7975
-	-delta_H	-86.6996	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Cs
-#	Enthalpy of formation:	-1168.54 kcal/mol
-        -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006
-#       -Range:  0-300
-
-Nontronite-H
-        H.33Fe2Al.33Si3.67H2O12 +6.9900 H+  =  + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -12.5401
-	-delta_H	-30.452	kJ/mol	# Calculated enthalpy of reaction	Nontronite-H
-#	Enthalpy of formation:	-1147.12 kcal/mol
-        -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006
-#       -Range:  0-300
-
-Nontronite-K
-        K.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.8648
-	-delta_H	-26.5822	kJ/mol	# Calculated enthalpy of reaction	Nontronite-K
-#	Enthalpy of formation:	-1167.93 kcal/mol
-        -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006
-#       -Range:  0-300
-
-Nontronite-Mg
-        Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.6200
-	-delta_H	-41.1779	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Mg
-#	Enthalpy of formation:	-1162.93 kcal/mol
-        -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006
-#       -Range:  0-300
-
-Nontronite-Na
-        Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.5263
-	-delta_H	-31.5687	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Na
-#	Enthalpy of formation:	-1165.8 kcal/mol
-        -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006
-#       -Range:  0-300
-
-Np
-       Np +4.0000 H+ +1.0000 O2  =  + 1.0000 Np++++ + 2.0000 H2O
-        log_k           174.1077
-	-delta_H	-1115.54	kJ/mol	# Calculated enthalpy of reaction	Np
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002
-#       -Range:  0-300
-
-Np(HPO4)2
-       Np(HPO4)2  =  + 1.0000 Np++++ + 2.0000 HPO4--
-        log_k           -30.9786
-	-delta_H	-18.6219	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
-#	Enthalpy of formation:	-3121.54 kJ/mol
-        -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002
-#       -Range:  0-300
-
-Np(OH)4
-       Np(OH)4 +4.0000 H+  =  + 1.0000 Np++++ + 4.0000 H2O
-        log_k           0.8103
-	-delta_H	-78.4963	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
-#	Enthalpy of formation:	-1620.86 kJ/mol
-        -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002
-#       -Range:  0-300
-
-Np2O5
-       Np2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 NpO2+
-        log_k           9.5000
-	-delta_H	-94.4576	kJ/mol	# Calculated enthalpy of reaction	Np2O5
-#	Enthalpy of formation:	-513.232 kcal/mol
-        -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003
-#       -Range: 25-150
-
-NpO2
-       NpO2 +4.0000 H+  =  + 1.0000 Np++++ + 2.0000 H2O
-        log_k           -7.8026
-	-delta_H	-53.6087	kJ/mol	# Calculated enthalpy of reaction	NpO2
-#	Enthalpy of formation:	-1074.07 kJ/mol
-        -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001
-#       -Range:  0-300
-
-NpO2(OH)2
-       NpO2(OH)2 +2.0000 H+  =  + 1.0000 NpO2++ + 2.0000 H2O
-        log_k           5.9851
-	-delta_H	-54.9977	kJ/mol	# Calculated enthalpy of reaction	NpO2(OH)2
-#	Enthalpy of formation:	-1377.16 kJ/mol
-        -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001
-#       -Range:  0-300
-
-NpO2OH(am)
-       NpO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 NpO2+
-        log_k           4.2364
-	-delta_H	-39.6673	kJ/mol	# Calculated enthalpy of reaction	NpO2OH(am)
-#	Enthalpy of formation:	-1224.16 kJ/mol
-        -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001
-#       -Range:  0-300
-
-Okenite
-        CaSi2O4(OH)2:H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
-        log_k           10.3816
-	-delta_H	-19.4974	kJ/mol	# Calculated enthalpy of reaction	Okenite
-#	Enthalpy of formation:	-749.641 kcal/mol
-        -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006
-#       -Range:  0-300
-
-Orpiment
-        As2S3 +6.0000 H2O  =  + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+
-        log_k           -79.4159
-	-delta_H	406.539	kJ/mol	# Calculated enthalpy of reaction	Orpiment
-#	Enthalpy of formation:	-169.423 kJ/mol
-        -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002
-#       -Range:  0-300
-
-Otavite
-        CdCO3 +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HCO3-
-        log_k           -1.7712
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
-#	Enthalpy of formation:	0 kcal/mol
-
-Ottemannite
-        Sn2S3 +3.0000 H+  =  + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS-
-        log_k           -46.2679
-	-delta_H	236.727	kJ/mol	# Calculated enthalpy of reaction	Ottemannite
-#	Enthalpy of formation:	-63 kcal/mol
-        -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002
-#       -Range:  0-200
-
-Oxychloride-Mg
-        Mg2Cl(OH)3:4H2O +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O
-        log_k           25.8319
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Oxychloride-Mg
-#	Enthalpy of formation:	0 kcal/mol
-
-P
-       P +1.5000 H2O +1.2500 O2  =  + 1.0000 HPO4-- + 2.0000 H+
-        log_k           132.1032
-	-delta_H	-848.157	kJ/mol	# Calculated enthalpy of reaction	P
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002
-#       -Range:  0-300
-
-Paragonite
-        NaAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           17.5220
-	-delta_H	-275.056	kJ/mol	# Calculated enthalpy of reaction	Paragonite
-#	Enthalpy of formation:	-1416.96 kcal/mol
-        -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005
-#       -Range:  0-300
-
-Paralaurionite
-        PbClOH +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++
-        log_k           0.2035
-	-delta_H	8.41948	kJ/mol	# Calculated enthalpy of reaction	Paralaurionite
-#	Enthalpy of formation:	-460.417 kJ/mol
-        -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000
-#       -Range:  0-200
-
-Pargasite
-        NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+  =  + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O
-        log_k           101.9939
-	-delta_H	-880.205	kJ/mol	# Calculated enthalpy of reaction	Pargasite
-#	Enthalpy of formation:	-3016.62 kcal/mol
-        -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006
-#       -Range:  0-300
-
-Parsonsite
-        Pb2UO2(PO4)2:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++
-        log_k           -27.7911
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Parsonsite
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb
-       Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           47.1871
-	-delta_H	-278.851	kJ/mol	# Calculated enthalpy of reaction	Pb
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002
-#       -Range:  0-300
-
-Pb(H2PO4)2
-       Pb(H2PO4)2  =  + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4--
-        log_k           -9.8400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(H2PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb(IO3)2
-       Pb(IO3)2  =  + 1.0000 Pb++ + 2.0000 IO3-
-        log_k           -12.5173
-	-delta_H	53.7783	kJ/mol	# Calculated enthalpy of reaction	Pb(IO3)2
-#	Enthalpy of formation:	-495.525 kJ/mol
-        -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001
-#       -Range:  0-200
-
-Pb(N3)2(mono)
-       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
-        log_k           -8.3583
-	-delta_H	72.9495	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(mono)
-#	Enthalpy of formation:	478.251 kJ/mol
-        -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002
-#       -Range:  0-200
-
-Pb(N3)2(orth)
-       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
-        log_k           -8.7963
-	-delta_H	75.0615	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(orth)
-#	Enthalpy of formation:	476.139 kJ/mol
-        -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002
-#       -Range:  0-200
-
-Pb(Thiocyanate)2
-       Pb(Thiocyanate)2  =  + 1.0000 Pb++ + 2.0000 Thiocyanate-
-        log_k           -0.0910
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
-#	Enthalpy of formation:	151.212 kJ/mol
-        -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005
-#       -Range:  0-200
-
-Pb2Cl2CO3
-       Pb2Cl2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
-        log_k           -9.6180
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2Cl2CO3
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb2Cl5NH4
-       Pb2Cl5NH4  =  + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl-
-        log_k           -19.6100
-	-delta_H	119.617	kJ/mol	# Calculated enthalpy of reaction	Pb2Cl5NH4
-#	Enthalpy of formation:	-1034.51 kJ/mol
-        -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002
-#       -Range:  0-200
-
-Pb2O(N3)2
-       Pb2O(N3)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++
-        log_k           -13.7066
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2O(N3)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb2SiO4
-       Pb2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++
-        log_k           18.0370
-	-delta_H	-83.9883	kJ/mol	# Calculated enthalpy of reaction	Pb2SiO4
-#	Enthalpy of formation:	-1363.55 kJ/mol
-        -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001
-#       -Range:  0-200
-
-Pb3(PO4)2
-       Pb3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Pb++
-        log_k           -19.9744
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb3SO6
-       Pb3SO6 +4.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++
-        log_k           10.5981
-	-delta_H	-79.3438	kJ/mol	# Calculated enthalpy of reaction	Pb3SO6
-#	Enthalpy of formation:	-1399.17 kJ/mol
-        -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001
-#       -Range:  0-200
-
-Pb4Cl2(OH)6
-       Pb4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O
-        log_k           17.2793
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4Cl2(OH)6
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb4O(PO4)2
-       Pb4O(PO4)2 +4.0000 H+  =  + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++
-        log_k           -12.5727
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4O(PO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Pb4SO7
-       Pb4SO7 +6.0000 H+  =  + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++
-        log_k           21.7354
-	-delta_H	-136.566	kJ/mol	# Calculated enthalpy of reaction	Pb4SO7
-#	Enthalpy of formation:	-1626.87 kJ/mol
-        -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002
-#       -Range:  0-200
-
-PbBr2
-       PbBr2  =  + 1.0000 Pb++ + 2.0000 Br-
-        log_k           -5.2413
-	-delta_H	36.3838	kJ/mol	# Calculated enthalpy of reaction	PbBr2
-#	Enthalpy of formation:	-278.47 kJ/mol
-        -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001
-#       -Range:  0-200
-
-PbBrF
-       PbBrF  =  + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++
-        log_k           -8.0418
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrF
-#	Enthalpy of formation:	0 kcal/mol
-
-PbCO3.PbO
-       PbCO3.PbO +3.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++
-        log_k           9.6711
-	-delta_H	-55.4286	kJ/mol	# Calculated enthalpy of reaction	PbCO3.PbO
-#	Enthalpy of formation:	-918.502 kJ/mol
-        -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001
-#       -Range:  0-200
-
-PbF2
-       PbF2  =  + 1.0000 Pb++ + 2.0000 F-
-        log_k           -5.2047
-	-delta_H	-5.83772	kJ/mol	# Calculated enthalpy of reaction	PbF2
-#	Enthalpy of formation:	-663.937 kJ/mol
-        -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001
-#       -Range:  0-300
-
-PbFCl
-       PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
-        log_k           -8.9820
-	-delta_H	33.1852	kJ/mol	# Calculated enthalpy of reaction	PbFCl
-#	Enthalpy of formation:	-534.692 kJ/mol
-        -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001
-#       -Range:  0-200
-
-PbHPO4
-       PbHPO4  =  + 1.0000 HPO4-- + 1.0000 Pb++
-        log_k           -15.7275
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
-#	Enthalpy of formation:	0 kcal/mol
-
-PbI2
-       PbI2  =  + 1.0000 Pb++ + 2.0000 I-
-        log_k           -8.0418
-	-delta_H	62.5717	kJ/mol	# Calculated enthalpy of reaction	PbI2
-#	Enthalpy of formation:	-175.456 kJ/mol
-        -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-PbSO4(NH3)2
-       PbSO4(NH3)2  =  + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3
-        log_k           -2.0213
-	-delta_H	28.284	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)2
-#	Enthalpy of formation:	-1099.64 kJ/mol
-        -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001
-#       -Range:  0-200
-
-PbSO4(NH3)4
-       PbSO4(NH3)4  =  + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3
-        log_k           1.5024
-	-delta_H	31.155	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)4
-#	Enthalpy of formation:	-1265.18 kJ/mol
-        -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000
-#       -Range:  0-200
-
-PbSeO4
-       PbSeO4  =  + 1.0000 Pb++ + 1.0000 SeO4--
-        log_k           -6.9372
-	-delta_H	10.8967	kJ/mol	# Calculated enthalpy of reaction	PbSeO4
-#	Enthalpy of formation:	-609.125 kJ/mol
-        -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001
-#       -Range:  0-200
-
-Pd
-       Pd +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pd++
-        log_k           12.0688
-	-delta_H	-103.709	kJ/mol	# Calculated enthalpy of reaction	Pd
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002
-#       -Range:  0-300
-
-PdO
-       PdO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pd++
-        log_k           0.0643
-	-delta_H	-24.422	kJ/mol	# Calculated enthalpy of reaction	PdO
-#	Enthalpy of formation:	-20.4 kcal/mol
-        -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001
-#       -Range:  0-300
-
-Penroseite
-        NiSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -98.8004
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Penroseite
-#	Enthalpy of formation:	-26 kcal/mol
-        -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002
-#       -Range:  0-300
-
-Pentahydrite
-        MgSO4:5H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O
-        log_k           -1.3872
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pentahydrite
-#	Enthalpy of formation:	0 kcal/mol
-
-Periclase
-        MgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++
-        log_k           21.3354
-	-delta_H	-150.139	kJ/mol	# Calculated enthalpy of reaction	Periclase
-#	Enthalpy of formation:	-143.8 kcal/mol
-        -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002
-#       -Range:  0-300
-
-Petalite
-        LiAlSi4O10 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2
-        log_k           -3.8153
-	-delta_H	-13.1739	kJ/mol	# Calculated enthalpy of reaction	Petalite
-#	Enthalpy of formation:	-4886.15 kJ/mol
-        -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006
-#       -Range:  0-300
-
-Phlogopite
-        KAlMg3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           37.4400
-	-delta_H	-310.503	kJ/mol	# Calculated enthalpy of reaction	Phlogopite
-#	Enthalpy of formation:	-1488.07 kcal/mol
-        -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005
-#       -Range:  0-300
-
-Phosgenite
-        Pb2(CO3)Cl2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
-        log_k           -9.6355
-	-delta_H	49.0844	kJ/mol	# Calculated enthalpy of reaction	Phosgenite
-#	Enthalpy of formation:	-1071.34 kJ/mol
-        -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001
-#       -Range:  0-200
-
-Picromerite
-        K2Mg(SO4)2:6H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O
-        log_k           -4.4396
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Picromerite
-#	Enthalpy of formation:	0 kcal/mol
-
-Pirssonite
-        Na2Ca(CO3)2:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+
-        log_k           11.3230
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pirssonite
-#	Enthalpy of formation:	0 kcal/mol
-
-Plattnerite
-        PbO2 +4.0000 H+  =  + 1.0000 Pb++++ + 2.0000 H2O
-        log_k           -7.9661
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plattnerite
-#	Enthalpy of formation:	-277.363 kJ/mol
-
-Plumbogummite
-        PbAl3(PO4)2(OH)5:H2O +7.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           -8.1463
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plumbogummite
-#	Enthalpy of formation:	0 kcal/mol
-
-Pm
-       Pm +3.0000 H+ +0.7500 O2  =  + 1.0000 Pm+++ + 1.5000 H2O
-        log_k           180.6737
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm
-#	Enthalpy of formation:	0 kcal/mol
-
-Pm(OH)3
-       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
-        log_k           17.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Pm(OH)3(am)
-       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
-        log_k           18.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Pm2(CO3)3
-       Pm2(CO3)3 +3.0000 H+  =  + 2.0000 Pm+++ + 3.0000 HCO3-
-        log_k           -3.5636
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Pm2O3
-       Pm2O3 +6.0000 H+  =  + 2.0000 Pm+++ + 3.0000 H2O
-        log_k           48.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-PmF3:.5H2O
-       PmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F-
-        log_k           -18.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-PmPO4:10H2O
-       PmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Polydymite
-        Ni3S4 +2.0000 H+  =  + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++
-        log_k           -48.9062
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polydymite
-#	Enthalpy of formation:	-78.014 kcal/mol
-        -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002
-#       -Range:  0-200
-
-Polyhalite
-        K2MgCa2(SO4)4:2H2O  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4--
-        log_k           -14.3124
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polyhalite
-#	Enthalpy of formation:	0 kcal/mol
-
-Portlandite
-        Ca(OH)2 +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O
-        log_k           22.5552
-	-delta_H	-128.686	kJ/mol	# Calculated enthalpy of reaction	Portlandite
-#	Enthalpy of formation:	-986.074 kJ/mol
-        -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002
-#       -Range:  0-300
-
-Pr
-       Pr +3.0000 H+ +0.7500 O2  =  + 1.0000 Pr+++ + 1.5000 H2O
-        log_k           183.6893
-	-delta_H	-1125.92	kJ/mol	# Calculated enthalpy of reaction	Pr
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006
-#       -Range:  0-300
-
-Pr(OH)3
-       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
-        log_k           19.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Pr(OH)3(am)
-       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
-        log_k           21.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Pr2(CO3)3
-       Pr2(CO3)3 +3.0000 H+  =  + 2.0000 Pr+++ + 3.0000 HCO3-
-        log_k           -3.8136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Pr2O3
-       Pr2O3 +6.0000 H+  =  + 2.0000 Pr+++ + 3.0000 H2O
-        log_k           61.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-PrF3:.5H2O
-       PrF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F-
-        log_k           -18.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-PrPO4:10H2O
-       PrPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O
-        log_k           -12.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Prehnite
-        Ca2Al2Si3O10(OH)2 +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           32.9305
-	-delta_H	-311.875	kJ/mol	# Calculated enthalpy of reaction	Prehnite
-#	Enthalpy of formation:	-1481.65 kcal/mol
-        -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005
-#       -Range:  0-300
-
-Przhevalskite
-        Pb(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -20.0403
-	-delta_H	-71.1058	kJ/mol	# Calculated enthalpy of reaction	Przhevalskite
-#	Enthalpy of formation:	-1087.51 kcal/mol
-        -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001
-#       -Range:  0-200
-
-Pseudowollastonite
-        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           13.9997
-	-delta_H	-79.4625	kJ/mol	# Calculated enthalpy of reaction	Pseudowollastonite
-#	Enthalpy of formation:	-388.9 kcal/mol
-        -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005
-#       -Range:  0-300
-
-Pu
-       Pu +4.0000 H+ +1.0000 O2  =  + 1.0000 Pu++++ + 2.0000 H2O
-        log_k           170.3761
-	-delta_H	-1095.44	kJ/mol	# Calculated enthalpy of reaction	Pu
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005
-#       -Range:  0-300
-
-Pu(HPO4)2
-       Pu(HPO4)2  =  + 1.0000 Pu++++ + 2.0000 HPO4--
-        log_k           -27.7025
-	-delta_H	-33.4449	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
-#	Enthalpy of formation:	-3086.61 kJ/mol
-        -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002
-#       -Range:  0-300
-
-Pu(OH)3
-       Pu(OH)3 +3.0000 H+  =  + 1.0000 Pu+++ + 3.0000 H2O
-        log_k           22.4499
-	-delta_H	-148.067	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3
-#	Enthalpy of formation:	-1301 kJ/mol
-        -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002
-#       -Range:  0-300
-
-Pu(OH)4
-       Pu(OH)4 +4.0000 H+  =  + 1.0000 Pu++++ + 4.0000 H2O
-        log_k           0.7578
-	-delta_H	-68.6543	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
-#	Enthalpy of formation:	-1610.59 kJ/mol
-        -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002
-#       -Range:  0-300
-
-Pu2O3
-       Pu2O3 +6.0000 H+  =  + 2.0000 Pu+++ + 3.0000 H2O
-        log_k           48.1332
-	-delta_H	-360.26	kJ/mol	# Calculated enthalpy of reaction	Pu2O3
-#	Enthalpy of formation:	-1680.36 kJ/mol
-        -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002
-#       -Range:  0-300
-
-PuF3
-       PuF3  =  + 1.0000 Pu+++ + 3.0000 F-
-        log_k           -10.1872
-	-delta_H	-46.2608	kJ/mol	# Calculated enthalpy of reaction	PuF3
-#	Enthalpy of formation:	-1551.33 kJ/mol
-        -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002
-#       -Range:  0-300
-
-PuF4
-       PuF4  =  + 1.0000 Pu++++ + 4.0000 F-
-        log_k           -13.2091
-	-delta_H	-100.039	kJ/mol	# Calculated enthalpy of reaction	PuF4
-#	Enthalpy of formation:	-1777.24 kJ/mol
-        -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002
-#       -Range:  0-300
-
-PuO2
-       PuO2 +4.0000 H+  =  + 1.0000 Pu++++ + 2.0000 H2O
-        log_k           -7.3646
-	-delta_H	-51.8827	kJ/mol	# Calculated enthalpy of reaction	PuO2
-#	Enthalpy of formation:	-1055.69 kJ/mol
-        -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001
-#       -Range:  0-300
-
-PuO2(OH)2
-       PuO2(OH)2 +2.0000 H+  =  + 1.0000 PuO2++ + 2.0000 H2O
-        log_k           3.5499
-	-delta_H	-35.7307	kJ/mol	# Calculated enthalpy of reaction	PuO2(OH)2
-#	Enthalpy of formation:	-1357.52 kJ/mol
-        -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001
-#       -Range:  0-300
-
-PuO2HPO4
-       PuO2HPO4  =  + 1.0000 HPO4-- + 1.0000 PuO2++
-        log_k           -12.6074
-	-delta_H	-10.108	kJ/mol	# Calculated enthalpy of reaction	PuO2HPO4
-#	Enthalpy of formation:	-2103.55 kJ/mol
-        -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001
-#       -Range:  0-300
-
-PuO2OH(am)
-       PuO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 PuO2+
-        log_k           5.4628
-	-delta_H	-42.4933	kJ/mol	# Calculated enthalpy of reaction	PuO2OH(am)
-#	Enthalpy of formation:	-1157.53 kJ/mol
-        -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001
-#       -Range:  0-300
-
-Pyrite
-        FeS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS-
-        log_k           -24.6534
-	-delta_H	109.535	kJ/mol	# Calculated enthalpy of reaction	Pyrite
-#	Enthalpy of formation:	-41 kcal/mol
-        -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000
-#       -Range:  0-300
-
-Pyrolusite
-        MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
-        log_k           -17.6439
-	-delta_H	83.3804	kJ/mol	# Calculated enthalpy of reaction	Pyrolusite
-#	Enthalpy of formation:	-520.031 kJ/mol
-        -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001
-#       -Range:  0-300
-
-Pyromorphite
-        Pb5(PO4)3Cl +3.0000 H+  =  + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++
-        log_k           -47.8954
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
-#	Enthalpy of formation:	0 kcal/mol
-
-Pyromorphite-OH
-        Pb5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++
-        log_k           -26.2653
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
-#	Enthalpy of formation:	0 kcal/mol
-
-Pyrophyllite
-        Al2Si4O10(OH)2 +6.0000 H+  =  + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           0.4397
-	-delta_H	-102.161	kJ/mol	# Calculated enthalpy of reaction	Pyrophyllite
-#	Enthalpy of formation:	-1345.31 kcal/mol
-        -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006
-#       -Range:  0-300
-
-Pyrrhotite
-        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -3.7193
-	-delta_H	-7.9496	kJ/mol	# Calculated enthalpy of reaction	Pyrrhotite
-#	Enthalpy of formation:	-24 kcal/mol
-        -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001
-#       -Range:  0-300
-
-Quartz
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.9993
-	-delta_H	32.949	kJ/mol	# Calculated enthalpy of reaction	Quartz
-#	Enthalpy of formation:	-217.65 kcal/mol
-        -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005
-#       -Range:  0-300
-
-Ra
-       Ra +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ra++
-        log_k           141.3711
-	-delta_H	-807.374	kJ/mol	# Calculated enthalpy of reaction	Ra
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002
-#       -Range:  0-200
-
-Ra(NO3)2
-       Ra(NO3)2  =  + 1.0000 Ra++ + 2.0000 NO3-
-        log_k           -2.2419
-	-delta_H	50.4817	kJ/mol	# Calculated enthalpy of reaction	Ra(NO3)2
-#	Enthalpy of formation:	-991.706 kJ/mol
-        -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001
-#       -Range:  0-200
-
-RaCl2:2H2O
-       RaCl2:2H2O  =  + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           -0.7647
-	-delta_H	32.6266	kJ/mol	# Calculated enthalpy of reaction	RaCl2:2H2O
-#	Enthalpy of formation:	-1466.07 kJ/mol
-        -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001
-#       -Range:  0-200
-
-RaSO4
-       RaSO4  =  + 1.0000 Ra++ + 1.0000 SO4--
-        log_k           -10.4499
-	-delta_H	40.309	kJ/mol	# Calculated enthalpy of reaction	RaSO4
-#	Enthalpy of formation:	-1477.51 kJ/mol
-        -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001
-#       -Range:  0-200
-
-Rankinite
-        Ca3Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
-        log_k           51.9078
-	-delta_H	-302.089	kJ/mol	# Calculated enthalpy of reaction	Rankinite
-#	Enthalpy of formation:	-941.7 kcal/mol
-        -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005
-#       -Range:  0-300
-
-Rb
-       Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+
-        log_k           71.1987
-	-delta_H	-391.009	kJ/mol	# Calculated enthalpy of reaction	Rb
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002
-#       -Range:  0-300
-
-Rb2UO4
-       Rb2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+
-        log_k           34.0089
-	-delta_H	-170.224	kJ/mol	# Calculated enthalpy of reaction	Rb2UO4
-#	Enthalpy of formation:	-1922.7 kJ/mol
-        -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002
-#       -Range:  0-200
-
-Re
-       Re +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 ReO4-
-        log_k           105.9749
-	-delta_H	-623.276	kJ/mol	# Calculated enthalpy of reaction	Re
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-300
-
-Realgar
-        AsS +2.0000 H2O  =  + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+
-        log_k           -60.2768
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Realgar
-#	Enthalpy of formation:	-71.406 kJ/mol
-
-Rhodochrosite
-        MnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mn++
-        log_k           -0.1928
-	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
-#	Enthalpy of formation:	-212.521 kcal/mol
-        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
-#       -Range:  0-300
-
-Rhodonite
-        MnSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2
-        log_k           9.7301
-	-delta_H	-64.7121	kJ/mol	# Calculated enthalpy of reaction	Rhodonite
-#	Enthalpy of formation:	-1319.42 kJ/mol
-        -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005
-#       -Range:  0-300
-
-Ripidolite-14A
-        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
-        log_k           60.9638
-	-delta_H	-572.472	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-14A
-#	Enthalpy of formation:	-1947.87 kcal/mol
-        -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002
-#       -Range:  0-300
-
-Ripidolite-7A
-        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
-        log_k           64.3371
-	-delta_H	-586.325	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-7A
-#	Enthalpy of formation:	-1944.56 kcal/mol
-        -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002
-#       -Range:  0-300
-
-Romarchite
-        SnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sn++
-        log_k           1.3625
-	-delta_H	-8.69017	kJ/mol	# Calculated enthalpy of reaction	Romarchite
-#	Enthalpy of formation:	-68.34 kcal/mol
-        -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001
-#       -Range:  0-300
-
-Ru
-       Ru +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ru++
-        log_k           16.6701
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru
-#	Enthalpy of formation:	0 kJ/mol
-
-Ru(OH)3:H2O(am)
-       Ru(OH)3:H2O +3.0000 H+  =  + 1.0000 Ru+++ + 4.0000 H2O
-        log_k           1.6338
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)3:H2O(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-RuBr3
-       RuBr3  =  + 1.0000 Ru+++ + 3.0000 Br-
-        log_k           3.1479
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuBr3
-#	Enthalpy of formation:	-147.76 kJ/mol
-
-RuCl3
-       RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-
-        log_k           10.8215
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3
-#	Enthalpy of formation:	-221.291 kJ/mol
-
-RuI3
-       RuI3  =  + 1.0000 Ru+++ + 3.0000 I-
-        log_k           -12.4614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuI3
-#	Enthalpy of formation:	-58.425 kJ/mol
-
-RuO2
-       RuO2 +2.0000 H+  =  + 1.0000 Ru(OH)2++
-        log_k           -5.4835
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2
-#	Enthalpy of formation:	-307.233 kJ/mol
-
-RuO2:2H2O(am)
-       RuO2:2H2O +2.0000 H+  =  + 1.0000 Ru(OH)2++ + 2.0000 H2O
-        log_k           0.9045
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2:2H2O(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-RuO4
-       RuO4  =  + 1.0000 RuO4
-        log_k           -0.9636
-	-delta_H	6.305	kJ/mol	# Calculated enthalpy of reaction	RuO4
-#	Enthalpy of formation:	-244.447 kJ/mol
-
-RuSe2
-       RuSe2 +2.0000 H2O  =  + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -113.7236
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSe2
-#	Enthalpy of formation:	-146.274 kJ/mol
-
-Rutherfordine
-        UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
-        log_k           -4.1064
-	-delta_H	-19.4032	kJ/mol	# Calculated enthalpy of reaction	Rutherfordine
-#	Enthalpy of formation:	-1689.53 kJ/mol
-        -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001
-#       -Range:  0-300
-
-Rutile
-        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
-        log_k           -9.6452
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Rutile
-#	Enthalpy of formation:	-226.107 kcal/mol
-
-S
-       S +1.0000 H2O  =  + 0.5000 O2 + 1.0000 H+ + 1.0000 HS-
-        log_k           -45.0980
-	-delta_H	263.663	kJ/mol	# Calculated enthalpy of reaction	S
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002
-#       -Range:  0-300
-
-Safflorite
-        CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3-
-        log_k           -3.6419
-	-delta_H	-52.7226	kJ/mol	# Calculated enthalpy of reaction	Safflorite
-#	Enthalpy of formation:	-23.087 kcal/mol
-
-Saleeite
-        Mg(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -19.4575
-	-delta_H	-110.816	kJ/mol	# Calculated enthalpy of reaction	Saleeite
-#	Enthalpy of formation:	-1189.61 kcal/mol
-        -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001
-#       -Range:  0-200
-
-Sanbornite
-        BaSi2O5 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2
-        log_k           9.4753
-	-delta_H	-31.0845	kJ/mol	# Calculated enthalpy of reaction	Sanbornite
-#	Enthalpy of formation:	-2547.8 kJ/mol
-        -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006
-#       -Range:  0-300
-
-Sanidine_high
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           0.9239
-	-delta_H	-35.0284	kJ/mol	# Calculated enthalpy of reaction	Sanidine_high
-#	Enthalpy of formation:	-946.538 kcal/mol
-        -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006
-#       -Range:  0-300
-
-Saponite-Ca
-        Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.2900
-	-delta_H	-207.971	kJ/mol	# Calculated enthalpy of reaction	Saponite-Ca
-#	Enthalpy of formation:	-1436.51 kcal/mol
-        -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006
-#       -Range:  0-300
-
-Saponite-Cs
-        Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           25.8528
-	-delta_H	-195.407	kJ/mol	# Calculated enthalpy of reaction	Saponite-Cs
-#	Enthalpy of formation:	-1438.44 kcal/mol
-        -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006
-#       -Range:  0-300
-
-Saponite-H
-        H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+  =  + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           25.3321
-	-delta_H	-200.235	kJ/mol	# Calculated enthalpy of reaction	Saponite-H
-#	Enthalpy of formation:	-1416.94 kcal/mol
-        -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006
-#       -Range:  0-300
-
-Saponite-K
-        K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.0075
-	-delta_H	-196.402	kJ/mol	# Calculated enthalpy of reaction	Saponite-K
-#	Enthalpy of formation:	-1437.74 kcal/mol
-        -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006
-#       -Range:  0-300
-
-Saponite-Mg
-        Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.2523
-	-delta_H	-210.822	kJ/mol	# Calculated enthalpy of reaction	Saponite-Mg
-#	Enthalpy of formation:	-1432.79 kcal/mol
-        -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006
-#       -Range:  0-300
-
-Saponite-Na
-        Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.3459
-	-delta_H	-201.401	kJ/mol	# Calculated enthalpy of reaction	Saponite-Na
-#	Enthalpy of formation:	-1435.61 kcal/mol
-        -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006
-#       -Range:  0-300
-
-Sb
-       Sb +1.5000 H2O +0.7500 O2  =  + 1.0000 Sb(OH)3
-        log_k           52.7918
-	-delta_H	-335.931	kJ/mol	# Calculated enthalpy of reaction	Sb
-#	Enthalpy of formation:	0 kJ/mol
-
-Sb(OH)3
-       Sb(OH)3  =  + 1.0000 Sb(OH)3
-        log_k           -7.0953
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Sb2O3
-       Sb2O3 +3.0000 H2O  =  + 2.0000 Sb(OH)3
-        log_k           -8.9600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2O3
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-300
-
-Sb2O4
-       Sb2O4 +3.0000 H2O  =  + 0.5000 O2 + 2.0000 Sb(OH)3
-        log_k           -39.6139
-	-delta_H	211.121	kJ/mol	# Calculated enthalpy of reaction	Sb2O4
-#	Enthalpy of formation:	-907.251 kJ/mol
-
-Sb2O5
-       Sb2O5 +3.0000 H2O  =  + 1.0000 O2 + 2.0000 Sb(OH)3
-        log_k           -46.9320
-	-delta_H	269.763	kJ/mol	# Calculated enthalpy of reaction	Sb2O5
-#	Enthalpy of formation:	-971.96 kJ/mol
-
-Sb4O6(cubic)
-       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
-        log_k           -19.6896
-	-delta_H	59.898	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(cubic)
-#	Enthalpy of formation:	-1440.02 kJ/mol
-
-Sb4O6(orthorhombic)
-       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
-        log_k           -17.0442
-	-delta_H	37.314	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(orthorhombic)
-#	Enthalpy of formation:	-1417.44 kJ/mol
-
-SbBr3
-       SbBr3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+
-        log_k           1.0554
-	-delta_H	-21.5871	kJ/mol	# Calculated enthalpy of reaction	SbBr3
-#	Enthalpy of formation:	-259.197 kJ/mol
-
-SbCl3
-       SbCl3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+
-        log_k           0.5878
-	-delta_H	-35.393	kJ/mol	# Calculated enthalpy of reaction	SbCl3
-#	Enthalpy of formation:	-382.12 kJ/mol
-
-Sc
-       Sc +3.0000 H+ +0.7500 O2  =  + 1.0000 Sc+++ + 1.5000 H2O
-        log_k           167.2700
-	-delta_H	-1033.87	kJ/mol	# Calculated enthalpy of reaction	Sc
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002
-#       -Range:  0-300
-
-Scacchite
-        MnCl2  =  + 1.0000 Mn++ + 2.0000 Cl-
-        log_k           8.7785
-	-delta_H	-73.4546	kJ/mol	# Calculated enthalpy of reaction	Scacchite
-#	Enthalpy of formation:	-481.302 kJ/mol
-        -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002
-#       -Range:  0-300
-
-Schoepite
-        UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.8333
-	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	Schoepite
-#	Enthalpy of formation:	-1826.1 kJ/mol
-        -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001
-#       -Range:  0-300
-
-Schoepite-dehy(.393)
-        UO3:.393H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.3930 H2O
-        log_k           6.7243
-	-delta_H	-69.2728	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.393)
-#	Enthalpy of formation:	-1347.9 kJ/mol
-        -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001
-#       -Range:  0-200
-
-Schoepite-dehy(.648)
-        UO3:.648H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.6480 H2O
-        log_k           6.2063
-	-delta_H	-65.4616	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.648)
-#	Enthalpy of formation:	-1424.6 kJ/mol
-        -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001
-#       -Range:  0-200
-
-Schoepite-dehy(.85)
-        UO3:.85H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.8500 H2O
-        log_k           5.0970
-	-delta_H	-56.4009	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.85)
-#	Enthalpy of formation:	-1491.4 kJ/mol
-        -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001
-#       -Range:  0-200
-
-Schoepite-dehy(.9)
-        UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
-        log_k           5.0167
-	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.9)
-#	Enthalpy of formation:	-1506.3 kJ/mol
-        -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001
-#       -Range:  0-300
-
-Schoepite-dehy(1.0)
-        UO3:H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
-        log_k           5.1031
-	-delta_H	-57.4767	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(1.0)
-#	Enthalpy of formation:	-1533.2 kJ/mol
-        -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001
-#       -Range:  0-200
-
-Scolecite
-        CaAl2Si3O10:3H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           15.8767
-	-delta_H	-204.93	kJ/mol	# Calculated enthalpy of reaction	Scolecite
-#	Enthalpy of formation:	-6048.92 kJ/mol
-        -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005
-#       -Range:  0-300
-
-Se
-       Se +1.0000 H2O +1.0000 O2  =  + 1.0000 SeO3-- + 2.0000 H+
-        log_k           26.1436
-	-delta_H	-211.221	kJ/mol	# Calculated enthalpy of reaction	Se
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002
-#       -Range:  0-300
-
-Se2O5
-       Se2O5 +2.0000 H2O  =  + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+
-        log_k           9.5047
-	-delta_H	-123.286	kJ/mol	# Calculated enthalpy of reaction	Se2O5
-#	Enthalpy of formation:	-98.8 kcal/mol
-        -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000
-#       -Range:  0-200
-
-SeCl4
-       SeCl4 +3.0000 H2O  =  + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+
-        log_k           14.4361
-	-delta_H	-131.298	kJ/mol	# Calculated enthalpy of reaction	SeCl4
-#	Enthalpy of formation:	-45.1 kcal/mol
-        -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002
-#       -Range:  0-300
-
-SeO3
-       SeO3 +1.0000 H2O  =  + 1.0000 SeO4-- + 2.0000 H+
-        log_k           19.2015
-	-delta_H	-143.022	kJ/mol	# Calculated enthalpy of reaction	SeO3
-#	Enthalpy of formation:	-40.7 kcal/mol
-        -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002
-#       -Range:  0-300
-
-Sellaite
-        MgF2  =  + 1.0000 Mg++ + 2.0000 F-
-        log_k           -9.3843
-	-delta_H	-12.4547	kJ/mol	# Calculated enthalpy of reaction	Sellaite
-#	Enthalpy of formation:	-1124.2 kJ/mol
-        -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002
-#       -Range:  0-300
-
-Sepiolite
-        Mg4Si6O15(OH)2:6H2O +8.0000 H+  =  + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O
-        log_k           30.4439
-	-delta_H	-157.339	kJ/mol	# Calculated enthalpy of reaction	Sepiolite
-#	Enthalpy of formation:	-2418 kcal/mol
-        -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006
-#       -Range:  0-300
-
-Shcherbinaite
-        V2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 VO2+
-        log_k           -1.4520
-	-delta_H	-34.7917	kJ/mol	# Calculated enthalpy of reaction	Shcherbinaite
-#	Enthalpy of formation:	-1550.6 kJ/mol
-        -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002
-#       -Range:  0-300
-
-Si
-       Si +1.0000 O2  =  + 1.0000 SiO2
-        log_k           148.9059
-	-delta_H	-865.565	kJ/mol	# Calculated enthalpy of reaction	Si
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006
-#       -Range:  0-300
-
-SiO2(am)
-       SiO2  =  + 1.0000 SiO2
-        log_k           -2.7136
-	-delta_H	20.0539	kJ/mol	# Calculated enthalpy of reaction	SiO2(am)
-#	Enthalpy of formation:	-214.568 kcal/mol
-        -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005
-#       -Range:  0-300
-
-Siderite
-        FeCO3 +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HCO3-
-        log_k           -0.1920
-	-delta_H	-32.5306	kJ/mol	# Calculated enthalpy of reaction	Siderite
-#	Enthalpy of formation:	-179.173 kcal/mol
-        -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001
-#       -Range:  0-300
-
-Sillimanite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           16.3080
-	-delta_H	-238.442	kJ/mol	# Calculated enthalpy of reaction	Sillimanite
-#	Enthalpy of formation:	-615.099 kcal/mol
-        -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002
-#       -Range:  0-300
-
-Sklodowskite
-        Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O
-        log_k           13.7915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sklodowskite
-#	Enthalpy of formation:	0 kcal/mol
-
-Sm
-       Sm +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sm++
-        log_k           133.1614
-	-delta_H	-783.944	kJ/mol	# Calculated enthalpy of reaction	Sm
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002
-#       -Range:  0-300
-
-Sm(OH)3
-       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
-        log_k           16.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Sm(OH)3(am)
-       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
-        log_k           18.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Sm2(CO3)3
-       Sm2(CO3)3 +3.0000 H+  =  + 2.0000 Sm+++ + 3.0000 HCO3-
-        log_k           -3.5136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Sm2(SO4)3
-       Sm2(SO4)3  =  + 2.0000 Sm+++ + 3.0000 SO4--
-        log_k           -9.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(SO4)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Sm2O3
-       Sm2O3 +6.0000 H+  =  + 2.0000 Sm+++ + 3.0000 H2O
-        log_k           42.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-SmF3:.5H2O
-       SmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F-
-        log_k           -17.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-SmPO4:10H2O
-       SmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Smectite-high-Fe-Mg
-#        Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
-        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O 
-        log_k           17.4200
-	-delta_H	-199.841	kJ/mol	# Calculated enthalpy of reaction	Smectite-high-Fe-Mg
-#	Enthalpy of formation:	-1351.39 kcal/mol
-        -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006
-#       -Range:  0-300
-
-Smectite-low-Fe-Mg
-#        Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
-        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O 
-        log_k           11.0405
-	-delta_H	-144.774	kJ/mol	# Calculated enthalpy of reaction	Smectite-low-Fe-Mg
-#	Enthalpy of formation:	-1352.12 kcal/mol
-        -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006
-#       -Range:  0-300
-
-Smithsonite
-        ZnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Zn++
-        log_k           0.4633
-	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
-#	Enthalpy of formation:	-194.26 kcal/mol
-        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
-#       -Range:  0-300
-
-Sn
-       Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++
-        log_k           47.8615
-	-delta_H	-288.558	kJ/mol	# Calculated enthalpy of reaction	Sn
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005
-#       -Range:  0-300
-
-Sn(OH)2
-       Sn(OH)2 +2.0000 H+  =  + 1.0000 Sn++ + 2.0000 H2O
-        log_k           1.8400
-	-delta_H	-19.6891	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
-#	Enthalpy of formation:	-560.774 kJ/mol
-        -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001
-#       -Range:  0-200
-
-Sn(SO4)2
-       Sn(SO4)2  =  + 1.0000 Sn++++ + 2.0000 SO4--
-        log_k           16.0365
-	-delta_H	-159.707	kJ/mol	# Calculated enthalpy of reaction	Sn(SO4)2
-#	Enthalpy of formation:	-389.4 kcal/mol
-        -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001
-#       -Range:  0-200
-
-Sn3S4
-       Sn3S4 +4.0000 H+  =  + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS-
-        log_k           -61.9790
-	-delta_H	318.524	kJ/mol	# Calculated enthalpy of reaction	Sn3S4
-#	Enthalpy of formation:	-88.5 kcal/mol
-        -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002
-#       -Range:  0-200
-
-SnBr2
-       SnBr2  =  + 1.0000 Sn++ + 2.0000 Br-
-        log_k           -1.4369
-	-delta_H	8.24248	kJ/mol	# Calculated enthalpy of reaction	SnBr2
-#	Enthalpy of formation:	-62.15 kcal/mol
-        -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001
-#       -Range:  0-200
-
-SnBr4
-       SnBr4  =  + 1.0000 Sn++++ + 4.0000 Br-
-        log_k           11.1272
-	-delta_H	-78.3763	kJ/mol	# Calculated enthalpy of reaction	SnBr4
-#	Enthalpy of formation:	-377.391 kJ/mol
-        -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000
-#       -Range:  0-200
-
-SnCl2
-       SnCl2  =  + 1.0000 Sn++ + 2.0000 Cl-
-        log_k           0.3225
-	-delta_H	-11.9913	kJ/mol	# Calculated enthalpy of reaction	SnCl2
-#	Enthalpy of formation:	-79.1 kcal/mol
-        -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001
-#       -Range:  0-200
-
-SnSO4
-       SnSO4  =  + 1.0000 SO4-- + 1.0000 Sn++
-        log_k           -23.9293
-	-delta_H	96.232	kJ/mol	# Calculated enthalpy of reaction	SnSO4
-#	Enthalpy of formation:	-242.5 kcal/mol
-        -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002
-#       -Range:  0-200
-
-SnSe
-       SnSe  =  + 1.0000 Se-- + 1.0000 Sn++
-        log_k           -32.9506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe
-#	Enthalpy of formation:	-21.2 kcal/mol
-        -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002
-#       -Range:  0-200
-
-SnSe2
-       SnSe2  =  + 1.0000 Sn++++ + 2.0000 Se--
-        log_k           -66.6570
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe2
-#	Enthalpy of formation:	-29.8 kcal/mol
-        -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002
-#       -Range:  0-200
-
-Soddyite
-        (UO2)2SiO4:2H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
-        log_k           0.3920
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Soddyite
-#	Enthalpy of formation:	0 kcal/mol
-
-Sphaerocobaltite
-        CoCO3 +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HCO3-
-        log_k           -0.2331
-	-delta_H	-30.7064	kJ/mol	# Calculated enthalpy of reaction	Sphaerocobaltite
-#	Enthalpy of formation:	-171.459 kcal/mol
-        -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001
-#       -Range:  0-300
-
-Sphalerite
-        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
-        log_k           -11.4400
-	-delta_H	35.5222	kJ/mol	# Calculated enthalpy of reaction	Sphalerite
-#	Enthalpy of formation:	-49 kcal/mol
-        -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001
-#       -Range:  0-300
-
-Spinel
-        Al2MgO4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           37.6295
-	-delta_H	-398.108	kJ/mol	# Calculated enthalpy of reaction	Spinel
-#	Enthalpy of formation:	-546.847 kcal/mol
-        -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002
-#       -Range:  0-300
-
-Spinel-Co
-        Co3O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O
-        log_k           -6.4852
-	-delta_H	-126.415	kJ/mol	# Calculated enthalpy of reaction	Spinel-Co
-#	Enthalpy of formation:	-891 kJ/mol
-        -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002
-#       -Range:  0-300
-
-Spodumene
-        LiAlSi2O6 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2
-        log_k           6.9972
-	-delta_H	-89.1817	kJ/mol	# Calculated enthalpy of reaction	Spodumene
-#	Enthalpy of formation:	-3054.75 kJ/mol
-        -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005
-#       -Range:  0-300
-
-Sr
-       Sr +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sr++
-        log_k           141.7816
-	-delta_H	-830.679	kJ/mol	# Calculated enthalpy of reaction	Sr
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005
-#       -Range:  0-300
-
-Sr(NO3)2
-       Sr(NO3)2  =  + 1.0000 Sr++ + 2.0000 NO3-
-        log_k           1.1493
-	-delta_H	13.7818	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2
-#	Enthalpy of formation:	-978.311 kJ/mol
-        -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001
-#       -Range:  0-200
-
-Sr(NO3)2:4H2O
-       Sr(NO3)2:4H2O  =  + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O
-        log_k           0.6976
-	-delta_H	47.9045	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2:4H2O
-#	Enthalpy of formation:	-2155.79 kJ/mol
-        -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001
-#       -Range:  0-200
-
-Sr(OH)2
-       Sr(OH)2 +2.0000 H+  =  + 1.0000 Sr++ + 2.0000 H2O
-        log_k           27.5229
-	-delta_H	-153.692	kJ/mol	# Calculated enthalpy of reaction	Sr(OH)2
-#	Enthalpy of formation:	-968.892 kJ/mol
-        -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002
-#       -Range:  0-200
-
-Sr2SiO4
-       Sr2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++
-        log_k           42.8076
-	-delta_H	-244.583	kJ/mol	# Calculated enthalpy of reaction	Sr2SiO4
-#	Enthalpy of formation:	-2306.61 kJ/mol
-        -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005
-#       -Range:  0-300
-
-Sr3(AsO4)2
-       Sr3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Sr++
-        log_k           20.6256
-	-delta_H	-152.354	kJ/mol	# Calculated enthalpy of reaction	Sr3(AsO4)2
-#	Enthalpy of formation:	-3319.49 kJ/mol
-        -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002
-#       -Range:  0-200
-
-SrBr2
-       SrBr2  =  + 1.0000 Sr++ + 2.0000 Br-
-        log_k           13.1128
-	-delta_H	-75.106	kJ/mol	# Calculated enthalpy of reaction	SrBr2
-#	Enthalpy of formation:	-718.808 kJ/mol
-        -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002
-#       -Range:  0-300
-
-SrBr2:6H2O
-       SrBr2:6H2O  =  + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O
-        log_k           3.6678
-	-delta_H	23.367	kJ/mol	# Calculated enthalpy of reaction	SrBr2:6H2O
-#	Enthalpy of formation:	-2532.31 kJ/mol
-        -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001
-#       -Range:  0-300
-
-SrBr2:H2O
-       SrBr2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br-
-        log_k           9.6057
-	-delta_H	-47.5853	kJ/mol	# Calculated enthalpy of reaction	SrBr2:H2O
-#	Enthalpy of formation:	-1032.17 kJ/mol
-        -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002
-#       -Range:  0-300
-
-SrCl2
-       SrCl2  =  + 1.0000 Sr++ + 2.0000 Cl-
-        log_k           7.9389
-	-delta_H	-55.0906	kJ/mol	# Calculated enthalpy of reaction	SrCl2
-#	Enthalpy of formation:	-829.976 kJ/mol
-        -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002
-#       -Range:  0-300
-
-SrCl2:2H2O
-       SrCl2:2H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           3.3248
-	-delta_H	-17.7313	kJ/mol	# Calculated enthalpy of reaction	SrCl2:2H2O
-#	Enthalpy of formation:	-1439.01 kJ/mol
-        -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001
-#       -Range:  0-300
-
-SrCl2:6H2O
-       SrCl2:6H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           1.5038
-	-delta_H	24.6964	kJ/mol	# Calculated enthalpy of reaction	SrCl2:6H2O
-#	Enthalpy of formation:	-2624.79 kJ/mol
-        -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001
-#       -Range:  0-200
-
-SrCl2:H2O
-       SrCl2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl-
-        log_k           4.7822
-	-delta_H	-33.223	kJ/mol	# Calculated enthalpy of reaction	SrCl2:H2O
-#	Enthalpy of formation:	-1137.68 kJ/mol
-        -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002
-#       -Range:  0-300
-
-SrCrO4
-       SrCrO4  =  + 1.0000 CrO4-- + 1.0000 Sr++
-        log_k           -3.8849
-	-delta_H	-1.73636	kJ/mol	# Calculated enthalpy of reaction	SrCrO4
-#	Enthalpy of formation:	-341.855 kcal/mol
-        -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001
-#       -Range:  0-200
-
-SrF2
-       SrF2  =  + 1.0000 Sr++ + 2.0000 F-
-        log_k           -8.5400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrF2
-#	Enthalpy of formation:	0 kcal/mol
-
-SrHPO4
-       SrHPO4  =  + 1.0000 HPO4-- + 1.0000 Sr++
-        log_k           -6.2416
-	-delta_H	-19.7942	kJ/mol	# Calculated enthalpy of reaction	SrHPO4
-#	Enthalpy of formation:	-1823.19 kJ/mol
-        -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001
-#       -Range:  0-200
-
-SrI2
-       SrI2  =  + 1.0000 Sr++ + 2.0000 I-
-        log_k           19.2678
-	-delta_H	-103.218	kJ/mol	# Calculated enthalpy of reaction	SrI2
-#	Enthalpy of formation:	-561.494 kJ/mol
-        -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002
-#       -Range:  0-300
-
-SrO
-       SrO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++
-        log_k           41.8916
-	-delta_H	-243.875	kJ/mol	# Calculated enthalpy of reaction	SrO
-#	Enthalpy of formation:	-592.871 kJ/mol
-        -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002
-#       -Range:  0-300
-
-SrS
-       SrS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sr++
-        log_k           14.7284
-	-delta_H	-93.3857	kJ/mol	# Calculated enthalpy of reaction	SrS
-#	Enthalpy of formation:	-473.63 kJ/mol
-        -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002
-#       -Range:  0-300
-
-SrSeO4
-       SrSeO4  =  + 1.0000 SeO4-- + 1.0000 Sr++
-        log_k           -4.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSeO4
-#	Enthalpy of formation:	0 kcal/mol
-
-SrSiO3
-       SrSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++
-        log_k           14.8438
-	-delta_H	-79.6112	kJ/mol	# Calculated enthalpy of reaction	SrSiO3
-#	Enthalpy of formation:	-1634.83 kJ/mol
-        -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005
-#       -Range:  0-300
-
-SrUO4(alpha)
-       SrUO4 +4.0000 H+  =  + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           19.1650
-	-delta_H	-151.984	kJ/mol	# Calculated enthalpy of reaction	SrUO4(alpha)
-#	Enthalpy of formation:	-1989.6 kJ/mol
-        -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002
-#       -Range:  0-300
-
-SrZrO3
-       SrZrO3 +4.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++
-        log_k           -131.4664
-	-delta_H	706.983	kJ/mol	# Calculated enthalpy of reaction	SrZrO3
-#	Enthalpy of formation:	-629.677 kcal/mol
-        -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002
-#       -Range:  0-200
-
-Starkeyite
-        MgSO4:4H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O
-        log_k           -0.9999
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Starkeyite
-#	Enthalpy of formation:	0 kcal/mol
-
-Stibnite
-        Sb2S3 +6.0000 H2O  =  + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS-
-        log_k           -53.1100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stibnite
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002
-#       -Range:  0-300
-
-Stilbite
-        Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+  =  + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O
-        log_k           1.0545
-	-delta_H	-83.0019	kJ/mol	# Calculated enthalpy of reaction	Stilbite
-#	Enthalpy of formation:	-11005.7 kJ/mol
-        -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006
-#       -Range:  0-300
-
-Stilleite
-        ZnSe  =  + 1.0000 Se-- + 1.0000 Zn++
-        log_k           -23.9693
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stilleite
-#	Enthalpy of formation:	-37.97 kcal/mol
-        -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001
-#       -Range:  0-300
-
-Strengite
-        FePO4:2H2O +1.0000 H+  =  + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O
-        log_k           -11.3429
-	-delta_H	-37.107	kJ/mol	# Calculated enthalpy of reaction	Strengite
-#	Enthalpy of formation:	-1876.23 kJ/mol
-        -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002
-#       -Range:  0-300
-
-Strontianite
-        SrCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Sr++
-        log_k           -0.3137
-	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
-#	Enthalpy of formation:	-294.6 kcal/mol
-        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
-#       -Range:  0-300
-
-Sulfur	from J.Thom
-        S + H2O = 0.5H+ + 0.25SO4-- + 0.75H2S
-        log_k -5.20733
-        -analytic -7.22926e1 -1.87320e-2 7.37125e2 2.83697e1 -1.00039e2
-
-Sylvite
-        KCl  =  + 1.0000 Cl- + 1.0000 K+
-        log_k           0.8459
-	-delta_H	17.4347	kJ/mol	# Calculated enthalpy of reaction	Sylvite
-#	Enthalpy of formation:	-104.37 kcal/mol
-        -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001
-#       -Range:  0-300
-
-Syngenite
-        K2Ca(SO4)2:H2O  =  + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4--
-        log_k           -7.6001
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Syngenite
-#	Enthalpy of formation:	0 kcal/mol
-
-Tachyhydrite
-        Mg2CaCl6:12H2O  =  + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O
-        log_k           17.1439
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tachyhydrite
-#	Enthalpy of formation:	0 kcal/mol
-
-Talc
-        Mg3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           21.1383
-	-delta_H	-148.737	kJ/mol	# Calculated enthalpy of reaction	Talc
-#	Enthalpy of formation:	-1410.92 kcal/mol
-        -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006
-#       -Range:  0-300
-
-Tarapacaite
-        K2CrO4  =  + 1.0000 CrO4-- + 2.0000 K+
-        log_k           -0.4037
-	-delta_H	17.8238	kJ/mol	# Calculated enthalpy of reaction	Tarapacaite
-#	Enthalpy of formation:	-335.4 kcal/mol
-        -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001
-#       -Range:  0-200
-
-Tb
-       Tb +3.0000 H+ +0.7500 O2  =  + 1.0000 Tb+++ + 1.5000 H2O
-        log_k           181.4170
-	-delta_H	-1117.97	kJ/mol	# Calculated enthalpy of reaction	Tb
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002
-#       -Range:  0-300
-
-Tb(OH)3
-       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
-        log_k           15.6852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Tb(OH)3(am)
-       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
-        log_k           18.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Tb2(CO3)3
-       Tb2(CO3)3 +3.0000 H+  =  + 2.0000 Tb+++ + 3.0000 HCO3-
-        log_k           -3.2136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Tb2O3
-       Tb2O3 +6.0000 H+  =  + 2.0000 Tb+++ + 3.0000 H2O
-        log_k           47.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-TbF3:.5H2O
-       TbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F-
-        log_k           -16.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-TbPO4:10H2O
-       TbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Tc
-       Tc +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 TcO4-
-        log_k           93.5811
-	-delta_H	-552.116	kJ/mol	# Calculated enthalpy of reaction	Tc
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005
-#       -Range:  0-300
-
-Tc(OH)2
-       Tc(OH)2 +3.0000 H+ +0.2500 O2  =  + 1.0000 Tc+++ + 2.5000 H2O
-        log_k           5.2714
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Tc(OH)3
-       Tc(OH)3 +3.0000 H+  =  + 1.0000 Tc+++ + 3.0000 H2O
-        log_k           -9.2425
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Tc2O7
-       Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-
-        log_k           13.1077
-	-delta_H	-26.5357	kJ/mol	# Calculated enthalpy of reaction	Tc2O7
-#	Enthalpy of formation:	-1120.16 kJ/mol
-        -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001
-#       -Range:  0-200
-
-Tc2S7
-       Tc2S7 +8.0000 H2O  =  + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+
-        log_k           -230.2410
-	-delta_H	1356.41	kJ/mol	# Calculated enthalpy of reaction	Tc2S7
-#	Enthalpy of formation:	-615 kJ/mol
-        -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003
-#       -Range:  0-200
-
-Tc3O4
-       Tc3O4 +9.0000 H+ +0.2500 O2  =  + 3.0000 Tc+++ + 4.5000 H2O
-        log_k           -19.2271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc3O4
-#	Enthalpy of formation:	0 kcal/mol
-
-Tc4O7
-       Tc4O7 +10.0000 H+  =  + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O
-        log_k           -26.0149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc4O7
-#	Enthalpy of formation:	0 kcal/mol
-
-TcO2:2H2O(am)
-       TcO2:2H2O +2.0000 H+  =  + 1.0000 TcO++ + 3.0000 H2O
-        log_k           -4.2319
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO2:2H2O(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-TcO3
-       TcO3 +1.0000 H2O  =  + 1.0000 TcO4-- + 2.0000 H+
-        log_k           -23.1483
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO3
-#	Enthalpy of formation:	-540 kJ/mol
-
-TcOH
-       TcOH +3.0000 H+ +0.5000 O2  =  + 1.0000 Tc+++ + 2.0000 H2O
-        log_k           24.9009
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOH
-#	Enthalpy of formation:	0 kcal/mol
-
-TcS2
-       TcS2 +1.0000 H2O  =  + 1.0000 TcO++ + 2.0000 HS-
-        log_k           -65.9742
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS2
-#	Enthalpy of formation:	-224 kJ/mol
-
-TcS3
-       TcS3 +4.0000 H2O  =  + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+
-        log_k           -119.5008
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS3
-#	Enthalpy of formation:	-276 kJ/mol
-
-Tenorite
-        CuO +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 H2O
-        log_k           7.6560
-	-delta_H	-64.5047	kJ/mol	# Calculated enthalpy of reaction	Tenorite
-#	Enthalpy of formation:	-37.2 kcal/mol
-        -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001
-#       -Range:  0-300
-
-Tephroite
-        Mn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++
-        log_k           23.0781
-	-delta_H	-160.1	kJ/mol	# Calculated enthalpy of reaction	Tephroite
-#	Enthalpy of formation:	-1730.47 kJ/mol
-        -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002
-#       -Range:  0-300
-
-Th
-       Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O
-        log_k           209.6028
-	-delta_H	-1328.56	kJ/mol	# Calculated enthalpy of reaction	Th
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003
-#       -Range:  0-300
-
-Th(NO3)4:5H2O
-       Th(NO3)4:5H2O  =  + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O
-        log_k           1.7789
-	-delta_H	-18.1066	kJ/mol	# Calculated enthalpy of reaction	Th(NO3)4:5H2O
-#	Enthalpy of formation:	-3007.35 kJ/mol
-        -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001
-#       -Range:  0-200
-
-Th(OH)4
-       Th(OH)4 +4.0000 H+  =  + 1.0000 Th++++ + 4.0000 H2O
-        log_k           9.6543
-	-delta_H	-140.336	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
-#	Enthalpy of formation:	-423.527 kcal/mol
-        -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002
-#       -Range:  0-200
-
-Th(SO4)2
-       Th(SO4)2  =  + 1.0000 Th++++ + 2.0000 SO4--
-        log_k           -20.3006
-	-delta_H	-46.1064	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
-#	Enthalpy of formation:	-2542.12 kJ/mol
-        -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005
-#       -Range:  0-200
-
-Th2S3
-       Th2S3 +5.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS-
-        log_k           95.2290
-	-delta_H	-783.243	kJ/mol	# Calculated enthalpy of reaction	Th2S3
-#	Enthalpy of formation:	-1082.89 kJ/mol
-        -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002
-#       -Range:  0-300
-
-Th2Se3
-       Th2Se3 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se--
-        log_k           59.1655
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th2Se3
-#	Enthalpy of formation:	-224 kcal/mol
-        -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002
-#       -Range:  0-200
-
-Th7S12
-       Th7S12 +16.0000 H+ +1.0000 O2  =  + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS-
-        log_k           204.0740
-	-delta_H	-1999.4	kJ/mol	# Calculated enthalpy of reaction	Th7S12
-#	Enthalpy of formation:	-4136.58 kJ/mol
-        -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003
-#       -Range:  0-200
-
-ThBr4
-       ThBr4  =  + 1.0000 Th++++ + 4.0000 Br-
-        log_k           34.0803
-	-delta_H	-290.23	kJ/mol	# Calculated enthalpy of reaction	ThBr4
-#	Enthalpy of formation:	-964.803 kJ/mol
-        -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002
-#       -Range:  0-200
-
-ThCl4
-       ThCl4  =  + 1.0000 Th++++ + 4.0000 Cl-
-        log_k           23.8491
-	-delta_H	-251.094	kJ/mol	# Calculated enthalpy of reaction	ThCl4
-#	Enthalpy of formation:	-283.519 kcal/mol
-        -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002
-#       -Range:  0-200
-
-ThF4
-       ThF4  =  + 1.0000 Th++++ + 4.0000 F-
-        log_k           -29.9946
-	-delta_H	-12.6733	kJ/mol	# Calculated enthalpy of reaction	ThF4
-#	Enthalpy of formation:	-501.371 kcal/mol
-        -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002
-#       -Range:  0-300
-
-ThF4:2.5H2O
-       ThF4:2.5H2O  =  + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F-
-        log_k           -31.8568
-	-delta_H	22.6696	kJ/mol	# Calculated enthalpy of reaction	ThF4:2.5H2O
-#	Enthalpy of formation:	-2847.68 kJ/mol
-        -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000
-#       -Range:  0-200
-
-ThI4
-       ThI4  =  + 1.0000 Th++++ + 4.0000 I-
-        log_k           45.1997
-	-delta_H	-332.818	kJ/mol	# Calculated enthalpy of reaction	ThI4
-#	Enthalpy of formation:	-663.811 kJ/mol
-        -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002
-#       -Range:  0-200
-
-ThS
-       ThS +3.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++
-        log_k           96.0395
-	-delta_H	-669.906	kJ/mol	# Calculated enthalpy of reaction	ThS
-#	Enthalpy of formation:	-394.993 kJ/mol
-        -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-ThS2
-       ThS2 +2.0000 H+  =  + 1.0000 Th++++ + 2.0000 HS-
-        log_k           10.7872
-	-delta_H	-175.369	kJ/mol	# Calculated enthalpy of reaction	ThS2
-#	Enthalpy of formation:	-625.867 kJ/mol
-        -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002
-#       -Range:  0-200
-
-Thenardite
-        Na2SO4  =  + 1.0000 SO4-- + 2.0000 Na+
-        log_k           -0.3091
-	-delta_H	-2.33394	kJ/mol	# Calculated enthalpy of reaction	Thenardite
-#	Enthalpy of formation:	-1387.87 kJ/mol
-        -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001
-#       -Range:  0-300
-
-Thermonatrite
-        Na2CO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+
-        log_k           10.9623
-	-delta_H	-27.5869	kJ/mol	# Calculated enthalpy of reaction	Thermonatrite
-#	Enthalpy of formation:	-1428.78 kJ/mol
-        -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001
-#       -Range:  0-300
-
-Thorianite
-        ThO2 +4.0000 H+  =  + 1.0000 Th++++ + 2.0000 H2O
-        log_k           1.8624
-	-delta_H	-114.296	kJ/mol	# Calculated enthalpy of reaction	Thorianite
-#	Enthalpy of formation:	-1226.4 kJ/mol
-        -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005
-#       -Range:  0-300
-
-Ti
-       Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4
-        log_k           149.2978
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti
-#	Enthalpy of formation:	0 kJ/mol
-
-Ti2O3
-       Ti2O3 +4.0000 H2O +0.5000 O2  =  + 2.0000 Ti(OH)4
-        log_k           42.9866
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti2O3
-#	Enthalpy of formation:	-1520.78 kJ/mol
-
-Ti3O5
-       Ti3O5 +6.0000 H2O +0.5000 O2  =  + 3.0000 Ti(OH)4
-        log_k           34.6557
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti3O5
-#	Enthalpy of formation:	-2459.24 kJ/mol
-
-TiB2
-       TiB2 +5.0000 H2O +2.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 B(OH)3
-        log_k           312.4194
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiB2
-#	Enthalpy of formation:	-323.883 kJ/mol
-
-TiBr3
-       TiBr3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+
-        log_k           47.7190
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr3
-#	Enthalpy of formation:	-548.378 kJ/mol
-
-TiBr4
-       TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+
-        log_k           32.9379
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4
-#	Enthalpy of formation:	-616.822 kJ/mol
-
-TiC
-       TiC +3.0000 H2O +2.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4
-        log_k           181.8139
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiC
-#	Enthalpy of formation:	-184.346 kJ/mol
-
-TiCl2
-       TiCl2 +3.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+
-        log_k           70.9386
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl2
-#	Enthalpy of formation:	-514.012 kJ/mol
-
-TiCl3
-       TiCl3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+
-        log_k           39.3099
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl3
-#	Enthalpy of formation:	-720.775 kJ/mol
-
-TiF4(am)
-       TiF4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+
-        log_k           -12.4409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiF4(am)
-#	Enthalpy of formation:	-1649.44 kJ/mol
-
-TiI4
-       TiI4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I-
-        log_k           34.5968
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiI4
-#	Enthalpy of formation:	-375.555 kJ/mol
-
-TiN
-       TiN +3.5000 H2O +0.2500 O2  =  + 1.0000 NH3 + 1.0000 Ti(OH)4
-        log_k           35.2344
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiN
-#	Enthalpy of formation:	-338.304 kJ/mol
-
-TiO(alpha)
-       TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4
-        log_k           61.1282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(alpha)
-#	Enthalpy of formation:	-519.835 kJ/mol
-
-Tiemannite
-        HgSe  =  + 1.0000 Hg++ + 1.0000 Se--
-        log_k           -58.2188
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tiemannite
-#	Enthalpy of formation:	-10.4 kcal/mol
-        -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002
-#       -Range:  0-300
-
-Titanite
-        CaTiSiO5 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4
-        log_k           719.5839
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Titanite
-#	Enthalpy of formation:	0 kcal/mol
-
-Tl
-       Tl +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Tl+
-        log_k           27.1743
-	-delta_H	-134.53	kJ/mol	# Calculated enthalpy of reaction	Tl
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005
-#       -Range:  0-300
-
-Tm
-       Tm +3.0000 H+ +0.7500 O2  =  + 1.0000 Tm+++ + 1.5000 H2O
-        log_k           181.7102
-	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Tm
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003
-#       -Range:  0-300
-
-Tm(OH)3
-       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
-        log_k           14.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Tm(OH)3(am)
-       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
-        log_k           17.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Tm2(CO3)3
-       Tm2(CO3)3 +3.0000 H+  =  + 2.0000 Tm+++ + 3.0000 HCO3-
-        log_k           -2.4136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Tm2O3
-       Tm2O3 +6.0000 H+  =  + 2.0000 Tm+++ + 3.0000 H2O
-        log_k           44.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-TmF3:.5H2O
-       TmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F-
-        log_k           -16.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-TmPO4:10H2O
-       TmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Tobermorite-11A
-        Ca5Si6H11O22.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O
-        log_k           65.6121
-	-delta_H	-286.861	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-11A
-#	Enthalpy of formation:	-2556.42 kcal/mol
-        -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006
-#       -Range:  0-300
-
-Tobermorite-14A
-        Ca5Si6H21O27.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O
-        log_k           63.8445
-	-delta_H	-230.959	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-14A
-#	Enthalpy of formation:	-2911.36 kcal/mol
-        -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006
-#       -Range:  0-300
-
-Tobermorite-9A
-        Ca5Si6H6O20 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O
-        log_k           69.0798
-	-delta_H	-329.557	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-9A
-#	Enthalpy of formation:	-2375.42 kcal/mol
-        -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006
-#       -Range:  0-300
-
-Todorokite
-        Mn7O12:3H2O +16.0000 H+  =  + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O
-        log_k           -45.8241
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Todorokite
-#	Enthalpy of formation:	0 kcal/mol
-
-Torbernite
-        Cu(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -20.3225
-	-delta_H	-97.4022	kJ/mol	# Calculated enthalpy of reaction	Torbernite
-#	Enthalpy of formation:	-1065.74 kcal/mol
-        -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001
-#       -Range:  0-200
-
-Tremolite
-        Ca2Mg5Si8O22(OH)2 +14.0000 H+  =  + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
-        log_k           61.2367
-	-delta_H	-406.404	kJ/mol	# Calculated enthalpy of reaction	Tremolite
-#	Enthalpy of formation:	-2944.04 kcal/mol
-        -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006
-#       -Range:  0-300
-
-Trevorite
-        NiFe2O4 +8.0000 H+  =  + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           9.7876
-	-delta_H	-215.338	kJ/mol	# Calculated enthalpy of reaction	Trevorite
-#	Enthalpy of formation:	-1081.15 kJ/mol
-        -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002
-#       -Range:  0-200
-
-Tridymite
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.8278
-	-delta_H	31.3664	kJ/mol	# Calculated enthalpy of reaction	Tridymite
-#	Enthalpy of formation:	-909.065 kJ/mol
-        -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002
-#       -Range:  0-200
-
-Troilite
-        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -3.8184
-	-delta_H	-7.3296	kJ/mol	# Calculated enthalpy of reaction	Troilite
-#	Enthalpy of formation:	-101.036 kJ/mol
-        -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001
-#       -Range:  0-300
-
-Trona-K
-        K2NaH(CO3)2:2H2O +1.0000 H+  =  + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+
-        log_k           11.5891
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Trona-K
-#	Enthalpy of formation:	0 kcal/mol
-
-Tsumebite
-        Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O
-        log_k           2.5318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tsumebite
-#	Enthalpy of formation:	0 kcal/mol
-
-Tyuyamunite
-        Ca(UO2)2(VO4)2  =  + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4---
-        log_k           -53.3757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tyuyamunite
-#	Enthalpy of formation:	-1164.52 kcal/mol
-
-U
-       U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           212.7800
-	-delta_H	-1286.64	kJ/mol	# Calculated enthalpy of reaction	U
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006
-#       -Range:  0-300
-
-U(CO3)2
-       U(CO3)2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HCO3-
-        log_k           7.5227
-	-delta_H	-170.691	kJ/mol	# Calculated enthalpy of reaction	U(CO3)2
-#	Enthalpy of formation:	-1800.38 kJ/mol
-        -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002
-#       -Range:  0-200
-
-U(HPO4)2:4H2O
-       U(HPO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O
-        log_k           -32.8650
-	-delta_H	16.1008	kJ/mol	# Calculated enthalpy of reaction	U(HPO4)2:4H2O
-#	Enthalpy of formation:	-4334.82 kJ/mol
-        -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002
-#       -Range:  0-300
-
-U(OH)2SO4
-       U(OH)2SO4 +2.0000 H+  =  + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O
-        log_k           -3.0731
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(OH)2SO4
-#	Enthalpy of formation:	0 kcal/mol
-
-U(SO3)2
-       U(SO3)2  =  + 1.0000 U++++ + 2.0000 SO3--
-        log_k           -36.7499
-	-delta_H	20.7008	kJ/mol	# Calculated enthalpy of reaction	U(SO3)2
-#	Enthalpy of formation:	-1883 kJ/mol
-        -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002
-#       -Range:  0-200
-
-U(SO4)2
-       U(SO4)2  =  + 1.0000 U++++ + 2.0000 SO4--
-        log_k           -11.5178
-	-delta_H	-100.803	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
-#	Enthalpy of formation:	-2309.6 kJ/mol
-        -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001
-#       -Range:  0-200
-
-U(SO4)2:4H2O
-       U(SO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -11.5287
-	-delta_H	-70.5565	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:4H2O
-#	Enthalpy of formation:	-3483.2 kJ/mol
-        -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001
-#       -Range:  0-200
-
-U(SO4)2:8H2O
-       U(SO4)2:8H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O
-        log_k           -12.5558
-	-delta_H	-34.5098	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:8H2O
-#	Enthalpy of formation:	-4662.6 kJ/mol
-        -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002
-#       -Range:  0-200
-
-U2C3
-       U2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HCO3-
-        log_k           455.3078
-	-delta_H	-2810.1	kJ/mol	# Calculated enthalpy of reaction	U2C3
-#	Enthalpy of formation:	-183.3 kJ/mol
-        -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006
-#       -Range:  0-300
-
-U2F9
-       U2F9 +2.0000 H2O  =  + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F-
-        log_k           -45.5022
-	-delta_H	-46.8557	kJ/mol	# Calculated enthalpy of reaction	U2F9
-#	Enthalpy of formation:	-4015.92 kJ/mol
-        -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002
-#       -Range:  0-300
-
-U2O2Cl5
-       U2O2Cl5  =  + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl-
-        log_k           19.2752
-	-delta_H	-254.325	kJ/mol	# Calculated enthalpy of reaction	U2O2Cl5
-#	Enthalpy of formation:	-2197.4 kJ/mol
-        -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002
-#       -Range:  0-300
-
-U2O3F6
-       U2O3F6 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F-
-        log_k           -2.5066
-	-delta_H	-185.047	kJ/mol	# Calculated enthalpy of reaction	U2O3F6
-#	Enthalpy of formation:	-3579.2 kJ/mol
-        -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001
-#       -Range:  0-200
-
-U2S3
-       U2S3 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HS-
-        log_k           6.5279
-	-delta_H	-147.525	kJ/mol	# Calculated enthalpy of reaction	U2S3
-#	Enthalpy of formation:	-879 kJ/mol
-        -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002
-#       -Range:  0-300
-
-U2Se3
-       U2Se3 +4.5000 O2  =  + 2.0000 U+++ + 3.0000 SeO3--
-        log_k           248.0372
-	-delta_H	-1740.18	kJ/mol	# Calculated enthalpy of reaction	U2Se3
-#	Enthalpy of formation:	-711 kJ/mol
-        -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003
-#       -Range:  0-200
-
-U3As4
-       U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 H2AsO3-
-        log_k           487.6802
-	-delta_H	-3114.02	kJ/mol	# Calculated enthalpy of reaction	U3As4
-#	Enthalpy of formation:	-720 kJ/mol
-        -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006
-#       -Range:  0-300
-
-U3O5F8
-       U3O5F8 +1.0000 H2O  =  + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F-
-        log_k           -2.7436
-	-delta_H	-260.992	kJ/mol	# Calculated enthalpy of reaction	U3O5F8
-#	Enthalpy of formation:	-5192.95 kJ/mol
-        -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002
-#       -Range:  0-300
-
-U3P4
-       U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+  =  + 3.0000 U+++ + 4.0000 HPO4--
-        log_k           827.5586
-	-delta_H	-5275.9	kJ/mol	# Calculated enthalpy of reaction	U3P4
-#	Enthalpy of formation:	-843 kJ/mol
-        -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006
-#       -Range:  0-300
-
-U3S5
-       U3S5 +5.0000 H+  =  + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS-
-        log_k           -0.3680
-	-delta_H	-218.942	kJ/mol	# Calculated enthalpy of reaction	U3S5
-#	Enthalpy of formation:	-1431 kJ/mol
-        -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002
-#       -Range:  0-200
-
-U3Sb4
-       U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 Sb(OH)3
-        log_k           575.0349
-	-delta_H	-3618.1	kJ/mol	# Calculated enthalpy of reaction	U3Sb4
-#	Enthalpy of formation:	-451.9 kJ/mol
-
-U3Se4
-       U3Se4 +6.2500 O2 +1.0000 H+  =  + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3--
-        log_k           375.2823
-	-delta_H	-2588.16	kJ/mol	# Calculated enthalpy of reaction	U3Se4
-#	Enthalpy of formation:	-983 kJ/mol
-        -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003
-#       -Range:  0-200
-
-U3Se5
-       U3Se5 +7.2500 O2 +0.5000 H2O  =  + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3--
-        log_k           376.5747
-	-delta_H	-2652.38	kJ/mol	# Calculated enthalpy of reaction	U3Se5
-#	Enthalpy of formation:	-1130 kJ/mol
-        -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003
-#       -Range:  0-200
-
-U4F17
-       U4F17 +2.0000 H2O  =  + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F-
-        log_k           -104.7657
-	-delta_H	-78.2955	kJ/mol	# Calculated enthalpy of reaction	U4F17
-#	Enthalpy of formation:	-7849.66 kJ/mol
-        -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002
-#       -Range:  0-300
-
-U5O12Cl
-       U5O12Cl +4.0000 H+  =  + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+
-        log_k           -18.7797
-	-delta_H	-9.99133	kJ/mol	# Calculated enthalpy of reaction	U5O12Cl
-#	Enthalpy of formation:	-5854.4 kJ/mol
-        -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001
-#       -Range:  0-200
-
-UAs
-       UAs +2.0000 H+ +1.5000 O2  =  + 1.0000 H2AsO3- + 1.0000 U+++
-        log_k           149.0053
-	-delta_H	-951.394	kJ/mol	# Calculated enthalpy of reaction	UAs
-#	Enthalpy of formation:	-234.3 kJ/mol
-        -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002
-#       -Range:  0-300
-
-UAs2
-       UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+  =  + 1.0000 U+++ + 2.0000 H2AsO3-
-        log_k           189.1058
-	-delta_H	-1210.63	kJ/mol	# Calculated enthalpy of reaction	UAs2
-#	Enthalpy of formation:	-252 kJ/mol
-        -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002
-#       -Range:  0-300
-
-UBr2Cl
-       UBr2Cl  =  + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br-
-        log_k           17.7796
-	-delta_H	-148.586	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl
-#	Enthalpy of formation:	-750.6 kJ/mol
-        -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001
-#       -Range:  0-200
-
-UBr2Cl2
-       UBr2Cl2  =  + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl-
-        log_k           26.2185
-	-delta_H	-260.466	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl2
-#	Enthalpy of formation:	-907.9 kJ/mol
-        -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-UBr3
-       UBr3  =  + 1.0000 U+++ + 3.0000 Br-
-        log_k           20.2249
-	-delta_H	-154.91	kJ/mol	# Calculated enthalpy of reaction	UBr3
-#	Enthalpy of formation:	-698.7 kJ/mol
-        -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002
-#       -Range:  0-300
-
-UBr3Cl
-       UBr3Cl  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br-
-        log_k           29.1178
-	-delta_H	-270.49	kJ/mol	# Calculated enthalpy of reaction	UBr3Cl
-#	Enthalpy of formation:	-852.3 kJ/mol
-        -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002
-#       -Range:  0-200
-
-UBr4
-       UBr4  =  + 1.0000 U++++ + 4.0000 Br-
-        log_k           31.2904
-	-delta_H	-275.113	kJ/mol	# Calculated enthalpy of reaction	UBr4
-#	Enthalpy of formation:	-802.1 kJ/mol
-        -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002
-#       -Range:  0-300
-
-UBr5
-       UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br-
-        log_k           41.6312
-	-delta_H	-250.567	kJ/mol	# Calculated enthalpy of reaction	UBr5
-#	Enthalpy of formation:	-810.4 kJ/mol
-        -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002
-#       -Range:  0-300
-
-UBrCl2
-       UBrCl2  =  + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl-
-        log_k           14.5048
-	-delta_H	-132.663	kJ/mol	# Calculated enthalpy of reaction	UBrCl2
-#	Enthalpy of formation:	-812.1 kJ/mol
-        -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001
-#       -Range:  0-200
-
-UBrCl3
-       UBrCl3  =  + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           23.5258
-	-delta_H	-246.642	kJ/mol	# Calculated enthalpy of reaction	UBrCl3
-#	Enthalpy of formation:	-967.3 kJ/mol
-        -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002
-#       -Range:  0-200
-
-UC
-       UC +2.0000 H+ +1.7500 O2  =  + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++
-        log_k           194.8241
-	-delta_H	-1202.82	kJ/mol	# Calculated enthalpy of reaction	UC
-#	Enthalpy of formation:	-97.9 kJ/mol
-        -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002
-#       -Range:  0-300
-
-UC1.94(alpha)
-       UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O  =  + 1.0000 U+++ + 1.9400 HCO3-
-        log_k           257.1619
-	-delta_H	-1583.84	kJ/mol	# Calculated enthalpy of reaction	UC1.94(alpha)
-#	Enthalpy of formation:	-85.324 kJ/mol
-        -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006
-#       -Range:  0-300
-
-UCl2F2
-       UCl2F2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F-
-        log_k           -3.5085
-	-delta_H	-130.055	kJ/mol	# Calculated enthalpy of reaction	UCl2F2
-#	Enthalpy of formation:	-1466 kJ/mol
-        -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002
-#       -Range:  0-300
-
-UCl2I2
-       UCl2I2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I-
-        log_k           30.2962
-	-delta_H	-270.364	kJ/mol	# Calculated enthalpy of reaction	UCl2I2
-#	Enthalpy of formation:	-768.8 kJ/mol
-        -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002
-#       -Range:  0-200
-
-UCl3
-       UCl3  =  + 1.0000 U+++ + 3.0000 Cl-
-        log_k           13.0062
-	-delta_H	-126.639	kJ/mol	# Calculated enthalpy of reaction	UCl3
-#	Enthalpy of formation:	-863.7 kJ/mol
-        -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002
-#       -Range:  0-300
-
-UCl3F
-       UCl3F  =  + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           10.3200
-	-delta_H	-184.787	kJ/mol	# Calculated enthalpy of reaction	UCl3F
-#	Enthalpy of formation:	-1243 kJ/mol
-        -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002
-#       -Range:  0-300
-
-UCl3I
-       UCl3I  =  + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           25.5388
-	-delta_H	-251.041	kJ/mol	# Calculated enthalpy of reaction	UCl3I
-#	Enthalpy of formation:	-898.3 kJ/mol
-        -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002
-#       -Range:  0-200
-
-UCl4
-       UCl4  =  + 1.0000 U++++ + 4.0000 Cl-
-        log_k           21.9769
-	-delta_H	-240.719	kJ/mol	# Calculated enthalpy of reaction	UCl4
-#	Enthalpy of formation:	-1018.8 kJ/mol
-        -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002
-#       -Range:  0-300
-
-UCl5
-       UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl-
-        log_k           37.3147
-	-delta_H	-249.849	kJ/mol	# Calculated enthalpy of reaction	UCl5
-#	Enthalpy of formation:	-1039 kJ/mol
-        -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002
-#       -Range:  0-300
-
-UCl6
-       UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl-
-        log_k           57.5888
-	-delta_H	-383.301	kJ/mol	# Calculated enthalpy of reaction	UCl6
-#	Enthalpy of formation:	-1066.5 kJ/mol
-        -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002
-#       -Range:  0-300
-
-UClF3
-       UClF3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F-
-        log_k           -17.5122
-	-delta_H	-74.3225	kJ/mol	# Calculated enthalpy of reaction	UClF3
-#	Enthalpy of formation:	-1690 kJ/mol
-        -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002
-#       -Range:  0-300
-
-UClI3
-       UClI3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I-
-        log_k           35.2367
-	-delta_H	-285.187	kJ/mol	# Calculated enthalpy of reaction	UClI3
-#	Enthalpy of formation:	-643.8 kJ/mol
-        -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002
-#       -Range:  0-200
-
-UF3
-       UF3  =  + 1.0000 U+++ + 3.0000 F-
-        log_k           -19.4125
-	-delta_H	6.2572	kJ/mol	# Calculated enthalpy of reaction	UF3
-#	Enthalpy of formation:	-1501.4 kJ/mol
-        -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001
-#       -Range:  0-300
-
-UF4
-       UF4  =  + 1.0000 U++++ + 4.0000 F-
-        log_k           -29.2004
-	-delta_H	-18.3904	kJ/mol	# Calculated enthalpy of reaction	UF4
-#	Enthalpy of formation:	-1914.2 kJ/mol
-        -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002
-#       -Range:  0-300
-
-UF4:2.5H2O
-       UF4:2.5H2O  =  + 1.0000 U++++ + 2.5000 H2O + 4.0000 F-
-        log_k           -33.3685
-	-delta_H	24.2888	kJ/mol	# Calculated enthalpy of reaction	UF4:2.5H2O
-#	Enthalpy of formation:	-2671.47 kJ/mol
-        -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002
-#       -Range:  0-300
-
-UF5(alpha)
-       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
-        log_k           -12.8376
-	-delta_H	-54.8883	kJ/mol	# Calculated enthalpy of reaction	UF5(alpha)
-#	Enthalpy of formation:	-2075.3 kJ/mol
-        -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002
-#       -Range:  0-300
-
-UF5(beta)
-       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
-        log_k           -13.1718
-	-delta_H	-46.9883	kJ/mol	# Calculated enthalpy of reaction	UF5(beta)
-#	Enthalpy of formation:	-2083.2 kJ/mol
-        -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002
-#       -Range:  0-300
-
-UF6
-       UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F-
-        log_k           17.4292
-	-delta_H	-261.709	kJ/mol	# Calculated enthalpy of reaction	UF6
-#	Enthalpy of formation:	-2197.7 kJ/mol
-        -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002
-#       -Range:  0-300
-
-UH3(beta)
-       UH3 +3.0000 H+ +1.5000 O2  =  + 1.0000 U+++ + 3.0000 H2O
-        log_k           199.7683
-	-delta_H	-1201.43	kJ/mol	# Calculated enthalpy of reaction	UH3(beta)
-#	Enthalpy of formation:	-126.98 kJ/mol
-        -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003
-#       -Range:  0-200
-
-UI3
-       UI3  =  + 1.0000 U+++ + 3.0000 I-
-        log_k           29.0157
-	-delta_H	-192.407	kJ/mol	# Calculated enthalpy of reaction	UI3
-#	Enthalpy of formation:	-467.4 kJ/mol
-        -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002
-#       -Range:  0-300
-
-UI4
-       UI4  =  + 1.0000 U++++ + 4.0000 I-
-        log_k           39.3102
-	-delta_H	-300.01	kJ/mol	# Calculated enthalpy of reaction	UI4
-#	Enthalpy of formation:	-518.8 kJ/mol
-        -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002
-#       -Range:  0-300
-
-UN
-       UN +3.0000 H+  =  + 1.0000 NH3 + 1.0000 U+++
-        log_k           41.7130
-	-delta_H	-280.437	kJ/mol	# Calculated enthalpy of reaction	UN
-#	Enthalpy of formation:	-290 kJ/mol
-        -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006
-#       -Range:  0-300
-
-UN1.59(alpha)
-       UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2  =  + 1.0000 UO2+ + 1.5900 NH3
-        log_k           38.3930
-	-delta_H	-235.75	kJ/mol	# Calculated enthalpy of reaction	UN1.59(alpha)
-#	Enthalpy of formation:	-379.2 kJ/mol
-        -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002
-#       -Range:  0-200
-
-UN1.73(alpha)
-       UN1.73 +2.0950 H2O +1.0000 H+  =  + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3
-        log_k           27.2932
-	-delta_H	-169.085	kJ/mol	# Calculated enthalpy of reaction	UN1.73(alpha)
-#	Enthalpy of formation:	-398.5 kJ/mol
-        -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002
-#       -Range:  0-200
-
-UO2(AsO3)2
-       UO2(AsO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H2AsO4-
-        log_k           6.9377
-	-delta_H	-109.843	kJ/mol	# Calculated enthalpy of reaction	UO2(AsO3)2
-#	Enthalpy of formation:	-2156.6 kJ/mol
-        -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002
-#       -Range:  0-300
-
-UO2(IO3)2
-       UO2(IO3)2  =  + 1.0000 UO2++ + 2.0000 IO3-
-        log_k           -7.2871
-	-delta_H	-0.3862	kJ/mol	# Calculated enthalpy of reaction	UO2(IO3)2
-#	Enthalpy of formation:	-1461.28 kJ/mol
-        -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001
-#       -Range:  0-200
-
-UO2(NO3)2
-       UO2(NO3)2  =  + 1.0000 UO2++ + 2.0000 NO3-
-        log_k           11.9598
-	-delta_H	-81.6219	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2
-#	Enthalpy of formation:	-1351 kJ/mol
-        -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001
-#       -Range:  0-200
-
-UO2(NO3)2:2H2O
-       UO2(NO3)2:2H2O  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3-
-        log_k           4.9446
-	-delta_H	-25.5995	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:2H2O
-#	Enthalpy of formation:	-1978.7 kJ/mol
-        -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001
-#       -Range:  0-300
-
-UO2(NO3)2:3H2O
-       UO2(NO3)2:3H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O
-        log_k           3.7161
-	-delta_H	-9.73686	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:3H2O
-#	Enthalpy of formation:	-2280.4 kJ/mol
-        -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001
-#       -Range:  0-300
-
-UO2(NO3)2:6H2O
-       UO2(NO3)2:6H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O
-        log_k           2.3189
-	-delta_H	19.8482	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:6H2O
-#	Enthalpy of formation:	-3167.5 kJ/mol
-        -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001
-#       -Range:  0-300
-
-UO2(NO3)2:H2O
-       UO2(NO3)2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3-
-        log_k           8.5103
-	-delta_H	-54.4602	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:H2O
-#	Enthalpy of formation:	-1664 kJ/mol
-        -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001
-#       -Range:  0-200
-
-UO2(OH)2(beta)
-       UO2(OH)2 +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
-        log_k           4.9457
-	-delta_H	-56.8767	kJ/mol	# Calculated enthalpy of reaction	UO2(OH)2(beta)
-#	Enthalpy of formation:	-1533.8 kJ/mol
-        -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001
-#       -Range:  0-300
-
-UO2(PO3)2
-       UO2(PO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4--
-        log_k           -16.2805
-	-delta_H	-58.4873	kJ/mol	# Calculated enthalpy of reaction	UO2(PO3)2
-#	Enthalpy of formation:	-2973 kJ/mol
-        -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002
-#       -Range:  0-300
-
-UO2(am)
-       UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
-        log_k           0.1091
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-UO2.25
-       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
-        log_k           -4.8193
-	-delta_H	-37.1614	kJ/mol	# Calculated enthalpy of reaction	UO2.25
-#	Enthalpy of formation:	-1128.3 kJ/mol
-        -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002
-#       -Range:  0-300
-
-UO2.25(beta)
-       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
-        log_k           -4.7593
-	-delta_H	-38.0614	kJ/mol	# Calculated enthalpy of reaction	UO2.25(beta)
-#	Enthalpy of formation:	-1127.4 kJ/mol
-        -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001
-#       -Range:  0-300
-
-UO2.3333(beta)
-#       UO2.3333 +8.0000 H+  =  + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
-       (UO2.3333)2 + 8.0000 H+  =  0.3333 O2 + 2.0000 U++++ + 4.0000 H2O 
-        log_k           -27.7177
-	-delta_H	-1187.8	kJ/mol	# Calculated enthalpy of reaction	UO2.3333(beta)
-#	Enthalpy of formation:	-1142 kJ/mol
-        -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005
-#       -Range:  0-300
-
-UO2.6667
-#       UO2.6667 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
-       (UO2.6667)2 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O 
-        log_k           -43.6051
-	-delta_H	-1142.24	kJ/mol	# Calculated enthalpy of reaction	UO2.6667
-#	Enthalpy of formation:	-1191.6 kJ/mol
-        -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006
-#       -Range:  0-300
-
-UO2Br2
-       UO2Br2  =  + 1.0000 UO2++ + 2.0000 Br-
-        log_k           16.5103
-	-delta_H	-124.607	kJ/mol	# Calculated enthalpy of reaction	UO2Br2
-#	Enthalpy of formation:	-1137.4 kJ/mol
-        -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002
-#       -Range:  0-300
-
-UO2Br2:3H2O
-       UO2Br2:3H2O  =  + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O
-        log_k           9.4113
-	-delta_H	-61.5217	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:3H2O
-#	Enthalpy of formation:	-2058 kJ/mol
-        -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001
-#       -Range:  0-200
-
-UO2Br2:H2O
-       UO2Br2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br-
-        log_k           12.1233
-	-delta_H	-91.945	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:H2O
-#	Enthalpy of formation:	-1455.9 kJ/mol
-        -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001
-#       -Range:  0-200
-
-UO2BrOH:2H2O
-       UO2BrOH:2H2O +1.0000 H+  =  + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.2026
-	-delta_H	-39.8183	kJ/mol	# Calculated enthalpy of reaction	UO2BrOH:2H2O
-#	Enthalpy of formation:	-1958.2 kJ/mol
-        -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001
-#       -Range:  0-200
-
-UO2CO3
-       UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
-        log_k           -4.1267
-	-delta_H	-19.2872	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
-#	Enthalpy of formation:	-1689.65 kJ/mol
-        -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001
-#       -Range:  0-200
-
-UO2Cl
-       UO2Cl  =  + 1.0000 Cl- + 1.0000 UO2+
-        log_k           -0.5154
-	-delta_H	-21.1067	kJ/mol	# Calculated enthalpy of reaction	UO2Cl
-#	Enthalpy of formation:	-1171.1 kJ/mol
-        -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001
-#       -Range:  0-300
-
-UO2Cl2
-       UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-
-        log_k           12.1394
-	-delta_H	-109.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
-#	Enthalpy of formation:	-1243.6 kJ/mol
-        -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002
-#       -Range:  0-300
-
-UO2Cl2:3H2O
-       UO2Cl2:3H2O  =  + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O
-        log_k           5.6163
-	-delta_H	-45.8743	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:3H2O
-#	Enthalpy of formation:	-2164.8 kJ/mol
-        -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001
-#       -Range:  0-200
-
-UO2Cl2:H2O
-       UO2Cl2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl-
-        log_k           8.2880
-	-delta_H	-79.1977	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:H2O
-#	Enthalpy of formation:	-1559.8 kJ/mol
-        -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001
-#       -Range:  0-200
-
-UO2ClOH:2H2O
-       UO2ClOH:2H2O +1.0000 H+  =  + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           2.3064
-	-delta_H	-33.1947	kJ/mol	# Calculated enthalpy of reaction	UO2ClOH:2H2O
-#	Enthalpy of formation:	-2010.4 kJ/mol
-        -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001
-#       -Range:  0-200
-
-UO2F2
-       UO2F2  =  + 1.0000 UO2++ + 2.0000 F-
-        log_k           -7.2302
-	-delta_H	-36.1952	kJ/mol	# Calculated enthalpy of reaction	UO2F2
-#	Enthalpy of formation:	-1653.5 kJ/mol
-        -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001
-#       -Range:  0-300
-
-UO2F2:3H2O
-       UO2F2:3H2O  =  + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O
-        log_k           -7.3692
-	-delta_H	-12.8202	kJ/mol	# Calculated enthalpy of reaction	UO2F2:3H2O
-#	Enthalpy of formation:	-2534.39 kJ/mol
-        -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001
-#       -Range:  0-200
-
-UO2FOH
-       UO2FOH +1.0000 H+  =  + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++
-        log_k           -1.8426
-	-delta_H	-41.7099	kJ/mol	# Calculated enthalpy of reaction	UO2FOH
-#	Enthalpy of formation:	-1598.48 kJ/mol
-        -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001
-#       -Range:  0-200
-
-UO2FOH:2H2O
-       UO2FOH:2H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           -2.6606
-	-delta_H	-21.8536	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:2H2O
-#	Enthalpy of formation:	-2190.01 kJ/mol
-        -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001
-#       -Range:  0-200
-
-UO2FOH:H2O
-       UO2FOH:H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O
-        log_k           -2.2838
-	-delta_H	-31.5243	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:H2O
-#	Enthalpy of formation:	-1894.5 kJ/mol
-        -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001
-#       -Range:  0-200
-
-UO2HPO4
-       UO2HPO4  =  + 1.0000 HPO4-- + 1.0000 UO2++
-        log_k           -12.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
-#	Enthalpy of formation:	0 kcal/mol
-
-UO2HPO4:4H2O
-       UO2HPO4:4H2O  =  + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O
-        log_k           -13.0231
-	-delta_H	15.5327	kJ/mol	# Calculated enthalpy of reaction	UO2HPO4:4H2O
-#	Enthalpy of formation:	-3469.97 kJ/mol
-        -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001
-#       -Range:  0-200
-
-UO2SO3
-       UO2SO3  =  + 1.0000 SO3-- + 1.0000 UO2++
-        log_k           -15.9812
-	-delta_H	6.4504	kJ/mol	# Calculated enthalpy of reaction	UO2SO3
-#	Enthalpy of formation:	-1661 kJ/mol
-        -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001
-#       -Range:  0-200
-
-UO2SO4
-       UO2SO4  =  + 1.0000 SO4-- + 1.0000 UO2++
-        log_k           1.9681
-	-delta_H	-83.4616	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
-#	Enthalpy of formation:	-1845.14 kJ/mol
-        -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002
-#       -Range:  0-300
-
-UO2SO4:2.5H2O
-       UO2SO4:2.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O
-        log_k           -1.4912
-	-delta_H	-36.1984	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:2.5H2O
-#	Enthalpy of formation:	-2607 kJ/mol
-        -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001
-#       -Range:  0-200
-
-UO2SO4:3.5H2O
-       UO2SO4:3.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O
-        log_k           -1.4805
-	-delta_H	-27.4367	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3.5H2O
-#	Enthalpy of formation:	-2901.6 kJ/mol
-        -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001
-#       -Range:  0-200
-
-UO2SO4:3H2O
-       UO2SO4:3H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           -1.4028
-	-delta_H	-34.6176	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3H2O
-#	Enthalpy of formation:	-2751.5 kJ/mol
-        -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001
-#       -Range:  0-200
-
-UO2SO4:H2O
-       UO2SO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++
-        log_k           -6.0233
-	-delta_H	-39.1783	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:H2O
-#	Enthalpy of formation:	-519.9 kcal/mol
-        -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001
-#       -Range:  0-300
-
-UO3(alpha)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           8.6391
-	-delta_H	-87.3383	kJ/mol	# Calculated enthalpy of reaction	UO3(alpha)
-#	Enthalpy of formation:	-1217.5 kJ/mol
-        -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001
-#       -Range:  0-300
-
-UO3(beta)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           8.3095
-	-delta_H	-84.5383	kJ/mol	# Calculated enthalpy of reaction	UO3(beta)
-#	Enthalpy of formation:	-1220.3 kJ/mol
-        -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001
-#       -Range:  0-300
-
-UO3(gamma)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           7.7073
-	-delta_H	-81.0383	kJ/mol	# Calculated enthalpy of reaction	UO3(gamma)
-#	Enthalpy of formation:	-1223.8 kJ/mol
-        -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001
-#       -Range:  0-300
-
-UO3:.9H2O(alpha)
-       UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
-        log_k           5.0167
-	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	UO3:.9H2O(alpha)
-#	Enthalpy of formation:	-1506.3 kJ/mol
-        -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001
-#       -Range:  0-200
-
-UO3:2H2O
-       UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.8333
-	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	UO3:2H2O
-#	Enthalpy of formation:	-1826.1 kJ/mol
-        -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001
-#       -Range:  0-300
-
-UOBr2
-       UOBr2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br-
-        log_k           7.9722
-	-delta_H	-146.445	kJ/mol	# Calculated enthalpy of reaction	UOBr2
-#	Enthalpy of formation:	-973.6 kJ/mol
-        -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002
-#       -Range:  0-300
-
-UOBr3
-       UOBr3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br-
-        log_k           23.5651
-	-delta_H	-149.799	kJ/mol	# Calculated enthalpy of reaction	UOBr3
-#	Enthalpy of formation:	-954 kJ/mol
-        -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002
-#       -Range:  0-300
-
-UOCl
-       UOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++
-        log_k           10.3872
-	-delta_H	-108.118	kJ/mol	# Calculated enthalpy of reaction	UOCl
-#	Enthalpy of formation:	-833.9 kJ/mol
-        -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002
-#       -Range:  0-300
-
-UOCl2
-       UOCl2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl-
-        log_k           5.4559
-	-delta_H	-141.898	kJ/mol	# Calculated enthalpy of reaction	UOCl2
-#	Enthalpy of formation:	-1069.3 kJ/mol
-        -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002
-#       -Range:  0-300
-
-UOCl3
-       UOCl3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl-
-        log_k           12.6370
-	-delta_H	-100.528	kJ/mol	# Calculated enthalpy of reaction	UOCl3
-#	Enthalpy of formation:	-1140 kJ/mol
-        -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002
-#       -Range:  0-300
-
-UOF2
-       UOF2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 F-
-        log_k           -18.1473
-	-delta_H	-43.1335	kJ/mol	# Calculated enthalpy of reaction	UOF2
-#	Enthalpy of formation:	-1504.6 kJ/mol
-        -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001
-#       -Range:  0-200
-
-UOF2:H2O
-       UOF2:H2O +2.0000 H+  =  + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O
-        log_k           -18.7019
-	-delta_H	-31.5719	kJ/mol	# Calculated enthalpy of reaction	UOF2:H2O
-#	Enthalpy of formation:	-1802 kJ/mol
-        -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001
-#       -Range:  0-200
-
-UOF4
-       UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F-
-        log_k           4.5737
-	-delta_H	-149.952	kJ/mol	# Calculated enthalpy of reaction	UOF4
-#	Enthalpy of formation:	-1924.6 kJ/mol
-        -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001
-#       -Range:  0-200
-
-UOFOH
-       UOFOH +3.0000 H+  =  + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O
-        log_k           -8.9274
-	-delta_H	-71.5243	kJ/mol	# Calculated enthalpy of reaction	UOFOH
-#	Enthalpy of formation:	-1426.7 kJ/mol
-        -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001
-#       -Range:  0-200
-
-UOFOH:.5H2O
-       UOFOH:.5H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O
-        log_k           24.5669
-	-delta_H	-200.938	kJ/mol	# Calculated enthalpy of reaction	UOFOH:.5H2O
-#	Enthalpy of formation:	-1576.1 kJ/mol
-        -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002
-#       -Range:  0-200
-
-UP
-       UP +2.0000 O2 +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 U+++
-        log_k           233.4928
-	-delta_H	-1487.11	kJ/mol	# Calculated enthalpy of reaction	UP
-#	Enthalpy of formation:	-269.8 kJ/mol
-        -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005
-#       -Range:  0-300
-
-UP2
-       UP2 +3.2500 O2 +1.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4--
-        log_k           360.5796
-	-delta_H	-2301.07	kJ/mol	# Calculated enthalpy of reaction	UP2
-#	Enthalpy of formation:	-304 kJ/mol
-        -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005
-#       -Range:  0-300
-
-UP2O7
-       UP2O7 +1.0000 H2O  =  + 1.0000 U++++ + 2.0000 HPO4--
-        log_k           -32.9922
-	-delta_H	-37.5256	kJ/mol	# Calculated enthalpy of reaction	UP2O7
-#	Enthalpy of formation:	-2852 kJ/mol
-        -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002
-#       -Range:  0-300
-
-UP2O7:20H2O
-       UP2O7:20H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O
-        log_k           -28.6300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UP2O7:20H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-UPO5
-       UPO5 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+
-        log_k           -19.5754
-	-delta_H	32.6294	kJ/mol	# Calculated enthalpy of reaction	UPO5
-#	Enthalpy of formation:	-2064 kJ/mol
-        -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001
-#       -Range:  0-300
-
-US
-       US +2.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++
-        log_k           46.6547
-	-delta_H	-322.894	kJ/mol	# Calculated enthalpy of reaction	US
-#	Enthalpy of formation:	-322.2 kJ/mol
-        -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002
-#       -Range:  0-300
-
-US1.9
-       US1.9 +1.9000 H+  =  + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS-
-        log_k           -2.2816
-	-delta_H	-91.486	kJ/mol	# Calculated enthalpy of reaction	US1.9
-#	Enthalpy of formation:	-509.9 kJ/mol
-        -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002
-#       -Range:  0-300
-
-US2
-       US2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HS-
-        log_k           -2.3324
-	-delta_H	-103.017	kJ/mol	# Calculated enthalpy of reaction	US2
-#	Enthalpy of formation:	-520.4 kJ/mol
-        -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002
-#       -Range:  0-300
-
-US3
-       US3 +2.0000 H2O  =  + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS-
-        log_k           -16.6370
-	-delta_H	43.9515	kJ/mol	# Calculated enthalpy of reaction	US3
-#	Enthalpy of formation:	-539.6 kJ/mol
-        -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001
-#       -Range:  0-300
-
-USb
-       USb +3.0000 H+ +1.5000 O2  =  + 1.0000 Sb(OH)3 + 1.0000 U+++
-        log_k           176.0723
-	-delta_H	-1106.19	kJ/mol	# Calculated enthalpy of reaction	USb
-#	Enthalpy of formation:	-138.5 kJ/mol
-
-USb2
-       USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 2.0000 Sb(OH)3
-        log_k           223.1358
-	-delta_H	-1407.02	kJ/mol	# Calculated enthalpy of reaction	USb2
-#	Enthalpy of formation:	-173.6 kJ/mol
-
-Uranium-selenide
-       1.0USe +1.7500 O2 +1.0000 H+  =  + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++
-        log_k           125.6086
-	-delta_H	-844.278	kJ/mol	# Calculated enthalpy of reaction	Uranium-selenide
-#	Enthalpy of formation:	-275.7 kJ/mol
-        -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002
-#       -Range:  0-300
-
-USe2(alpha)
-       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
-        log_k           125.4445
-	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(alpha)
-#	Enthalpy of formation:	-427 kJ/mol
-        -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002
-#       -Range:  0-300
-
-USe2(beta)
-       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
-        log_k           125.2868
-	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(beta)
-#	Enthalpy of formation:	-427 kJ/mol
-        -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002
-#       -Range:  0-300
-
-USe3
-       USe3 +3.7500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3--
-        log_k           147.2214
-	-delta_H	-1090.42	kJ/mol	# Calculated enthalpy of reaction	USe3
-#	Enthalpy of formation:	-452 kJ/mol
-        -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002
-#       -Range:  0-200
-
-Umangite
-        Cu3Se2  =  + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se--
-        log_k           -93.8412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Umangite
-#	Enthalpy of formation:	-25 kcal/mol
-        -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002
-#       -Range:  0-200
-
-Uraninite
-        UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
-        log_k           -4.8372
-	-delta_H	-77.8767	kJ/mol	# Calculated enthalpy of reaction	Uraninite
-#	Enthalpy of formation:	-1085 kJ/mol
-        -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001
-#       -Range:  0-300
-
-Uranocircite
-        Ba(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -19.8057
-	-delta_H	-72.3317	kJ/mol	# Calculated enthalpy of reaction	Uranocircite
-#	Enthalpy of formation:	-1215.94 kcal/mol
-        -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001
-#       -Range:  0-200
-
-Uranophane
-        Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
-        log_k           17.2850
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Uranophane
-#	Enthalpy of formation:	0 kcal/mol
-
-V
-       V +3.0000 H+ +0.7500 O2  =  + 1.0000 V+++ + 1.5000 H2O
-        log_k           106.9435
-	-delta_H	-680.697	kJ/mol	# Calculated enthalpy of reaction	V
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005
-#       -Range:  0-300
-
-V2O4
-       V2O4 +4.0000 H+  =  + 2.0000 H2O + 2.0000 VO++
-        log_k           8.5719
-	-delta_H	-117.564	kJ/mol	# Calculated enthalpy of reaction	V2O4
-#	Enthalpy of formation:	-1427.31 kJ/mol
-        -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002
-#       -Range:  0-300
-
-V3O5
-       V3O5 +8.0000 H+  =  + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O
-        log_k           13.4312
-	-delta_H	-218.857	kJ/mol	# Calculated enthalpy of reaction	V3O5
-#	Enthalpy of formation:	-1933.17 kJ/mol
-        -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002
-#       -Range:  0-200
-
-V4O7
-       V4O7 +10.0000 H+  =  + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O
-        log_k           18.7946
-	-delta_H	-284.907	kJ/mol	# Calculated enthalpy of reaction	V4O7
-#	Enthalpy of formation:	-2639.56 kJ/mol
-        -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002
-#       -Range:  0-200
-
-Vaesite
-        NiS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS-
-        log_k           -26.7622
-	-delta_H	110.443	kJ/mol	# Calculated enthalpy of reaction	Vaesite
-#	Enthalpy of formation:	-32.067 kcal/mol
-        -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002
-#       -Range:  0-200
-
-Vivianite
-        Fe3(PO4)2:8H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O
-        log_k           -4.7237
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Vivianite
-#	Enthalpy of formation:	0 kcal/mol
-
-W
-       W +1.5000 O2 +1.0000 H2O  =  + 1.0000 WO4-- + 2.0000 H+
-        log_k           123.4334
-	-delta_H	-771.668	kJ/mol	# Calculated enthalpy of reaction	W
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002
-#       -Range:  0-300
-
-Wairakite
-        CaAl2Si4O10(OH)4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O
-        log_k           18.0762
-	-delta_H	-237.781	kJ/mol	# Calculated enthalpy of reaction	Wairakite
-#	Enthalpy of formation:	-1579.33 kcal/mol
-        -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006
-#       -Range:  0-300
-
-Weeksite
-        K2(UO2)2(Si2O5)3:4H2O +6.0000 H+  =  + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O
-        log_k           15.3750
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Weeksite
-#	Enthalpy of formation:	0 kcal/mol
-
-Whitlockite
-        Ca3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ca++
-        log_k           -4.2249
-	-delta_H	-116.645	kJ/mol	# Calculated enthalpy of reaction	Whitlockite
-#	Enthalpy of formation:	-4096.77 kJ/mol
-        -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002
-#       -Range:  0-300
-
-Wilkmanite
-        Ni3Se4 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se--
-        log_k           -152.8793
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Wilkmanite
-#	Enthalpy of formation:	-60.285 kcal/mol
-        -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005
-#       -Range:  0-300
-
-Witherite
-        BaCO3 +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HCO3-
-        log_k           -2.9965
-	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
-#	Enthalpy of formation:	-297.5 kcal/mol
-        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
-#       -Range:  0-300
-
-Wollastonite
-        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           13.7605
-	-delta_H	-76.5756	kJ/mol	# Calculated enthalpy of reaction	Wollastonite
-#	Enthalpy of formation:	-389.59 kcal/mol
-        -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005
-#       -Range:  0-300
-
-Wurtzite
-        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
-        log_k           -9.1406
-	-delta_H	22.3426	kJ/mol	# Calculated enthalpy of reaction	Wurtzite
-#	Enthalpy of formation:	-45.85 kcal/mol
-        -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001
-#       -Range:  0-300
-
-Wustite
-        Fe.947O +2.0000 H+  =  + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O
-        log_k           12.4113
-	-delta_H	-102.417	kJ/mol	# Calculated enthalpy of reaction	Wustite
-#	Enthalpy of formation:	-266.265 kJ/mol
-        -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002
-#       -Range:  0-300
-
-Xonotlite
-        Ca6Si6O17(OH)2 +12.0000 H+  =  + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O
-        log_k           91.8267
-	-delta_H	-495.457	kJ/mol	# Calculated enthalpy of reaction	Xonotlite
-#	Enthalpy of formation:	-2397.25 kcal/mol
-        -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002
-#       -Range:  0-200
-
-Y
-       Y +3.0000 H+ +0.7500 O2  =  + 1.0000 Y+++ + 1.5000 H2O
-        log_k           184.5689
-	-delta_H	-1134.7	kJ/mol	# Calculated enthalpy of reaction	Y
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002
-#       -Range:  0-300
-
-Yb
-       Yb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Yb++
-        log_k           137.1930
-	-delta_H	-810.303	kJ/mol	# Calculated enthalpy of reaction	Yb
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002
-#       -Range:  0-300
-
-Yb(OH)3
-       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
-        log_k           14.6852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Yb(OH)3(am)
-       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3(am)
-#	Enthalpy of formation:	0 kcal/mol
-
-Yb2(CO3)3
-       Yb2(CO3)3 +3.0000 H+  =  + 2.0000 Yb+++ + 3.0000 HCO3-
-        log_k           -2.3136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2(CO3)3
-#	Enthalpy of formation:	0 kcal/mol
-
-Yb2O3
-       Yb2O3 +6.0000 H+  =  + 2.0000 Yb+++ + 3.0000 H2O
-        log_k           47.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2O3
-#	Enthalpy of formation:	0 kcal/mol
-
-YbF3:.5H2O
-       YbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F-
-        log_k           -16.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbF3:.5H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-YbPO4:10H2O
-       YbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O
-        log_k           -11.7782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4:10H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-Zincite
-        ZnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Zn++
-        log_k           11.2087
-	-delta_H	-88.7638	kJ/mol	# Calculated enthalpy of reaction	Zincite
-#	Enthalpy of formation:	-350.46 kJ/mol
-        -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002
-#       -Range:  0-300
-
-Zircon
-        ZrSiO4 +2.0000 H+  =  + 1.0000 SiO2 + 1.0000 Zr(OH)2++
-        log_k           -15.4193
-	-delta_H	64.8635	kJ/mol	# Calculated enthalpy of reaction	Zircon
-#	Enthalpy of formation:	-2033.4 kJ/mol
-        -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005
-#       -Range:  0-300
-
-Zn
-       Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++
-        log_k           68.8035
-	-delta_H	-433.157	kJ/mol	# Calculated enthalpy of reaction	Zn
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002
-#       -Range:  0-300
-
-Zn(BO2)2
-       Zn(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Zn++ + 2.0000 B(OH)3
-        log_k           8.3130
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(BO2)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn(ClO4)2:6H2O
-       Zn(ClO4)2:6H2O  =  + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O
-        log_k           5.6474
-	-delta_H	6.31871	kJ/mol	# Calculated enthalpy of reaction	Zn(ClO4)2:6H2O
-#	Enthalpy of formation:	-2133.39 kJ/mol
-        -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002
-#       -Range:  0-200
-
-Zn(IO3)2
-       Zn(IO3)2  =  + 1.0000 Zn++ + 2.0000 IO3-
-        log_k           -5.3193
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(IO3)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn(NO3)2:6H2O
-       Zn(NO3)2:6H2O  =  + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O
-        log_k           3.4102
-	-delta_H	24.7577	kJ/mol	# Calculated enthalpy of reaction	Zn(NO3)2:6H2O
-#	Enthalpy of formation:	-2306.8 kJ/mol
-        -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001
-#       -Range:  0-200
-
-Zn(OH)2(beta)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.9341
-	-delta_H	-83.2111	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(beta)
-#	Enthalpy of formation:	-641.851 kJ/mol
-        -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002
-#       -Range:  0-200
-
-Zn(OH)2(epsilon)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.6625
-	-delta_H	-81.7811	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(epsilon)
-#	Enthalpy of formation:	-643.281 kJ/mol
-        -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002
-#       -Range:  0-200
-
-Zn(OH)2(gamma)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.8832
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2(gamma)
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn2(OH)3Cl
-       Zn2(OH)3Cl +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O
-        log_k           15.2921
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2(OH)3Cl
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn2SO4(OH)2
-       Zn2SO4(OH)2 +2.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++
-        log_k           7.5816
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2SO4(OH)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn2SiO4
-       Zn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++
-        log_k           13.8695
-	-delta_H	-119.399	kJ/mol	# Calculated enthalpy of reaction	Zn2SiO4
-#	Enthalpy of formation:	-1636.75 kJ/mol
-        -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000
-#       -Range:  0-200
-
-Zn2TiO4
-       Zn2TiO4 +4.0000 H+  =  + 1.0000 Ti(OH)4 + 2.0000 Zn++
-        log_k           12.3273
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2TiO4
-#	Enthalpy of formation:	-1647.85 kJ/mol
-
-Zn3(AsO4)2
-       Zn3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Zn++
-        log_k           9.3122
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn3(AsO4)2
-#	Enthalpy of formation:	0 kcal/mol
-
-Zn3O(SO4)2
-       Zn3O(SO4)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++
-        log_k           19.1188
-	-delta_H	-258.253	kJ/mol	# Calculated enthalpy of reaction	Zn3O(SO4)2
-#	Enthalpy of formation:	-2306.95 kJ/mol
-        -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002
-#       -Range:  0-200
-
-Zn5(NO3)2(OH)8
-       Zn5(NO3)2(OH)8 +8.0000 H+  =  + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O
-        log_k           42.6674
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn5(NO3)2(OH)8
-#	Enthalpy of formation:	0 kcal/mol
-
-ZnBr2
-       ZnBr2  =  + 1.0000 Zn++ + 2.0000 Br-
-        log_k           7.5787
-	-delta_H	-67.7622	kJ/mol	# Calculated enthalpy of reaction	ZnBr2
-#	Enthalpy of formation:	-328.63 kJ/mol
-        -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001
-#       -Range:  0-200
-
-ZnBr2:2H2O
-       ZnBr2:2H2O  =  + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O
-        log_k           5.2999
-	-delta_H	-30.9268	kJ/mol	# Calculated enthalpy of reaction	ZnBr2:2H2O
-#	Enthalpy of formation:	-937.142 kJ/mol
-        -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001
-#       -Range:  0-200
-
-ZnCO3:H2O
-       ZnCO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++
-        log_k           0.1398
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3:H2O
-#	Enthalpy of formation:	0 kcal/mol
-
-ZnCl2
-       ZnCl2  =  + 1.0000 Zn++ + 2.0000 Cl-
-        log_k           7.0880
-	-delta_H	-72.4548	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
-#	Enthalpy of formation:	-415.09 kJ/mol
-        -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001
-#       -Range:  0-200
-
-ZnCl2(NH3)2
-       ZnCl2(NH3)2  =  + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3
-        log_k           -6.9956
-	-delta_H	27.2083	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)2
-#	Enthalpy of formation:	-677.427 kJ/mol
-        -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000
-#       -Range:  0-200
-
-ZnCl2(NH3)4
-       ZnCl2(NH3)4  =  + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3
-        log_k           -6.6955
-	-delta_H	56.2004	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)4
-#	Enthalpy of formation:	-869.093 kJ/mol
-        -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000
-#       -Range:  0-200
-
-ZnCl2(NH3)6
-       ZnCl2(NH3)6  =  + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3
-        log_k           -4.7311
-	-delta_H	77.4225	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)6
-#	Enthalpy of formation:	-1052.99 kJ/mol
-        -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001
-#       -Range:  0-200
-
-ZnCr2O4
-       ZnCr2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           7.9161
-	-delta_H	-221.953	kJ/mol	# Calculated enthalpy of reaction	ZnCr2O4
-#	Enthalpy of formation:	-370.88 kcal/mol
-        -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002
-#       -Range:  0-200
-
-ZnF2
-       ZnF2  =  + 1.0000 Zn++ + 2.0000 F-
-        log_k           -0.4418
-	-delta_H	-59.8746	kJ/mol	# Calculated enthalpy of reaction	ZnF2
-#	Enthalpy of formation:	-764.206 kJ/mol
-        -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002
-#       -Range:  0-300
-
-ZnI2
-       ZnI2  =  + 1.0000 Zn++ + 2.0000 I-
-        log_k           7.3885
-	-delta_H	-59.2332	kJ/mol	# Calculated enthalpy of reaction	ZnI2
-#	Enthalpy of formation:	-207.957 kJ/mol
-        -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001
-#       -Range:  0-200
-
-ZnSO4
-       ZnSO4  =  + 1.0000 SO4-- + 1.0000 Zn++
-        log_k           3.5452
-	-delta_H	-80.132	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
-#	Enthalpy of formation:	-982.855 kJ/mol
-        -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001
-#       -Range:  0-200
-
-ZnSO4:6H2O
-       ZnSO4:6H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O
-        log_k           -1.6846
-	-delta_H	-0.412008	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:6H2O
-#	Enthalpy of formation:	-2777.61 kJ/mol
-        -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001
-#       -Range:  0-200
-
-ZnSO4:7H2O
-       ZnSO4:7H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O
-        log_k           -1.8683
-	-delta_H	14.0417	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:7H2O
-#	Enthalpy of formation:	-3077.9 kJ/mol
-        -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001
-#       -Range:  0-200
-
-ZnSO4:H2O
-       ZnSO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++
-        log_k           -0.5383
-	-delta_H	-44.2824	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:H2O
-#	Enthalpy of formation:	-1304.54 kJ/mol
-        -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001
-#       -Range:  0-200
-
-ZnSeO3:H2O
-       ZnSeO3:H2O  =  + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++
-        log_k           -6.7408
-	-delta_H	-17.9056	kJ/mol	# Calculated enthalpy of reaction	ZnSeO3:H2O
-#	Enthalpy of formation:	-930.511 kJ/mol
-        -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000
-#       -Range:  0-200
-
-Zoisite
-        Ca2Al3(SiO4)3OH +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           43.3017
-	-delta_H	-458.131	kJ/mol	# Calculated enthalpy of reaction	Zoisite
-#	Enthalpy of formation:	-1643.69 kcal/mol
-        -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002
-#       -Range:  0-300
-
-Zr
-       Zr +2.0000 H+ +1.0000 O2  =  + 1.0000 Zr(OH)2++
-        log_k           177.6471
-	-delta_H	-1078.71	kJ/mol	# Calculated enthalpy of reaction	Zr
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005
-#       -Range:  0-300
-
-ZrB2
-       ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2  =  + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++
-        log_k           103.4666
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrB2
-#	Enthalpy of formation:	-326.628 kJ/mol
-
-ZrC
-       ZrC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++
-        log_k           207.0906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrC
-#	Enthalpy of formation:	-203.008 kJ/mol
-
-ZrCl
-       ZrCl +3.0000 H+ +0.7500 O2  =  + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O
-        log_k           130.9450
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl
-#	Enthalpy of formation:	-303.211 kJ/mol
-
-ZrCl2
-       ZrCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl-
-        log_k           96.3205
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl2
-#	Enthalpy of formation:	-531.021 kJ/mol
-
-ZrCl3
-       ZrCl3 +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl-
-        log_k           62.4492
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl3
-#	Enthalpy of formation:	-754.997 kJ/mol
-
-ZrCl4
-       ZrCl4  =  + 1.0000 Zr++++ + 4.0000 Cl-
-        log_k           27.9824
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl4
-#	Enthalpy of formation:	-980.762 kJ/mol
-
-ZrF4(beta)
-       ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-
-        log_k           -27.7564
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(beta)
-#	Enthalpy of formation:	-1911.26 kJ/mol
-
-ZrH2
-       ZrH2 +4.0000 H+ +1.5000 O2  =  + 1.0000 Zr++++ + 3.0000 H2O
-        log_k           198.3224
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrH2
-#	Enthalpy of formation:	-168.946 kJ/mol
-
-ZrN
-       ZrN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++
-        log_k           59.1271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrN
-#	Enthalpy of formation:	-365 kJ/mol
-
-O-phthalic_acid
-       H2O_phthalate =  + 1.0000 O_phthalate-2 + 2.0000 H+
-        log_k           -9.7755
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O-phthalic_acid
-#	Enthalpy of formation:	-186.88 kJ/mol
-        -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001
-#       -Range:  0-200
-Br2(l)
-       Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+
-        log_k           -6.5419
-	-delta_H	36.7648	kJ/mol	# Calculated enthalpy of reaction	Br2(l)
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001
-#       -Range:  0-300
-
-Hg(l)
-       Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++
-        log_k           14.1505
-	-delta_H	-109.608	kJ/mol	# Calculated enthalpy of reaction	Hg(l)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002
-#       -Range:  0-300
-
-Ag(g)
-        Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+ 
-        log_k           51.0924
-	-delta_H	-319.035	kJ/mol	# Calculated enthalpy of reaction	Ag(g)
-#	Enthalpy of formation:	284.9 kJ/mol
-        -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Al(g)
-        Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O 
-        log_k           200.6258
-	-delta_H	-1288.06	kJ/mol	# Calculated enthalpy of reaction	Al(g)
-#	Enthalpy of formation:	330 kJ/mol
-        -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003
-#       -Range:  0-200
-
-Am(g)
-        Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O 
-        log_k           211.7865
-	-delta_H	-1320.16	kJ/mol	# Calculated enthalpy of reaction	Am(g)
-#	Enthalpy of formation:	283.8 kJ/mol
-        -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-300
-
-AmF3(g)
-        AmF3  =  + 1.0000 Am+++ + 3.0000 F-     
-        log_k           49.8631
-	-delta_H	-455.843	kJ/mol	# Calculated enthalpy of reaction	AmF3(g)
-#	Enthalpy of formation:	-1166.9 kJ/mol
-        -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002
-#       -Range:  0-200
-
-Ar(g)
-        Ar  =  + 1.0000 Ar       
-        log_k           -2.8587
-	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	Ar(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005
-#       -Range:  0-300
-
-B(g)
-        B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3   
-        log_k           200.8430
-	-delta_H	-1201.68	kJ/mol	# Calculated enthalpy of reaction	B(g)
-#	Enthalpy of formation:	565 kJ/mol
-        -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002
-#       -Range:  0-200
-
-BF3(g)
-        BF3 +3.0000 H2O  =  + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+ 
-        log_k           -2.9664
-	-delta_H	-87.0627	kJ/mol	# Calculated enthalpy of reaction	BF3(g)
-#	Enthalpy of formation:	-1136 kJ/mol
-        -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000
-#       -Range:  0-200
-
-Be(g)
-        Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O 
-        log_k           361.9343
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Be(g)
-#	Enthalpy of formation:	0 kcal/mol
-
-Br2(g)
-        Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ 
-        log_k           -5.9979
-	-delta_H	5.85481	kJ/mol	# Calculated enthalpy of reaction	Br2(g)
-#	Enthalpy of formation:	30.91 kJ/mol
-        -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001
-#       -Range:  0-200
-
-C(g)
-        C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
-        log_k           181.7723
-	-delta_H	-1108.64	kJ/mol	# Calculated enthalpy of reaction	C(g)
-#	Enthalpy of formation:	716.68 kJ/mol
-        -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002
-#       -Range:  0-200
-
-C2H4(g)
-        C2H4  =  + 1.0000  C2H4
-        log_k           -2.3236
-	-delta_H	-16.4431	kJ/mol	# Calculated enthalpy of reaction	Ethylene(g)
-#	Enthalpy of formation:	12.5 kcal/mol
-        -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005
-#       -Range:  0-300
-
-CH4(g)
-        CH4  =  + 1.0000 CH4 
-        log_k           -2.8502
-	-delta_H	-13.0959	kJ/mol	# Calculated enthalpy of reaction	CH4(g)
-#	Enthalpy of formation:	-17.88 kcal/mol
-        -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
-#       -Range:  0-300
-
-CO(g)
-#        CO +1.0000 H2O +0.5000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
-#        log_k           38.6934
-#        -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002
-#       -Range:  0-300
-	CO = CO
-	log_k	-3.0068
-	-delta_H	-10.4349	kJ/mol	# Calculated enthalpy of reaction	CO(g)
-#	Enthalpy of formation:	-26.416 kcal/mol
-	-analytic   -8.0849e+000    9.2114e-003    0.0000e+000    0.0000e+000    2.0813e+005
-#       -Range:  0-300
-
-CO2(g)
-        CO2 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HCO3-   
-        log_k           -7.8136
-	-delta_H	-10.5855	kJ/mol	# Calculated enthalpy of reaction	CO2(g)
-#	Enthalpy of formation:	-94.051 kcal/mol
-        -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001
-#       -Range:  0-300
-
-Ca(g)
-        Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O 
-        log_k           165.0778
-	-delta_H	-1000.65	kJ/mol	# Calculated enthalpy of reaction	Ca(g)
-#	Enthalpy of formation:	177.8 kJ/mol
-        -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Cd(g)
-        Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O 
-        log_k           70.1363
-	-delta_H	-467.469	kJ/mol	# Calculated enthalpy of reaction	Cd(g)
-#	Enthalpy of formation:	111.8 kJ/mol
-        -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Cl2(g)
-        Cl2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+ 
-        log_k           3.0004
-	-delta_H	-54.3878	kJ/mol	# Calculated enthalpy of reaction	Cl2(g)
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001
-#       -Range:  0-200
-
-Cs(g)
-        Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+ 
-        log_k           81.2805
-	-delta_H	-474.413	kJ/mol	# Calculated enthalpy of reaction	Cs(g)
-#	Enthalpy of formation:	76.5 kJ/mol
-        -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002
-#       -Range:  0-200
-
-Cu(g)
-        Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O 
-        log_k           83.6618
-	-delta_H	-551.483	kJ/mol	# Calculated enthalpy of reaction	Cu(g)
-#	Enthalpy of formation:	337.4 kJ/mol
-        -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-F2(g)
-        F2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 F- + 2.0000 H+ 
-        log_k           55.7197
-	-delta_H	-390.924	kJ/mol	# Calculated enthalpy of reaction	F2(g)
-#	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002
-#       -Range:  0-200
-
-H2(g)
-#        H2 +0.5000 O2  =  + 1.0000 H2O     
-#        log_k           43.0016
-#        -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004
-#       -Range:  0-300
-	H2 = H2
-	log_k	-3.1050
-	-delta_H	-4.184	kJ/mol	# Calculated enthalpy of reaction	H2(g)
-#	Enthalpy of formation:	0 kcal/mol
-	-analytic   -9.3114e+000    4.6473e-003   -4.9335e+001    1.4341e+000    1.2815e+005
-#	-Range:	0-300
-
-H2O(g)
-        H2O  =  + 1.0000 H2O       
-        log_k           1.5854
-	-delta_H	-43.4383	kJ/mol	# Calculated enthalpy of reaction	H2O(g)
-#	Enthalpy of formation:	-57.935 kcal/mol
-        -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001
-#       -Range:  0-300
-
-H2S(g)
-        H2S  =  + 1.0000 H+ + 1.0000 HS-     
-        log_k           -7.9759
-	-delta_H	4.5229	kJ/mol	# Calculated enthalpy of reaction	H2S(g)
-#	Enthalpy of formation:	-4.931 kcal/mol
-        -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
-#       -Range:  0-300
-
-HBr(g)
-        HBr  =  + 1.0000 Br- + 1.0000 H+     
-        log_k           8.8815
-	-delta_H	-85.2134	kJ/mol	# Calculated enthalpy of reaction	HBr(g)
-#	Enthalpy of formation:	-36.29 kJ/mol
-        -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001
-#       -Range:  0-200
-
-HCl(g)
-        HCl  =  + 1.0000 Cl- + 1.0000 H+     
-        log_k           6.3055
-	-delta_H	-74.7697	kJ/mol	# Calculated enthalpy of reaction	HCl(g)
-#	Enthalpy of formation:	-92.31 kJ/mol
-        -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001
-#       -Range:  0-200
-
-HF(g)
-        HF  =  + 1.0000 F- + 1.0000 H+     
-        log_k           1.1126
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
-#	Enthalpy of formation:	619.234 kJ/mol
-        -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001
-#       -Range:  0-200
-
-HI(g)
-        HI  =  + 1.0000 H+ + 1.0000 I-     
-        log_k           9.3944
-	-delta_H	-83.4024	kJ/mol	# Calculated enthalpy of reaction	HI(g)
-#	Enthalpy of formation:	26.5 kJ/mol
-        -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-He(g)
-        He  =  + 1.0000 He       
-        log_k           -3.4143
-	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	He(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004
-#       -Range:  0-300
-
-Hf(g)
-        Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O 
-        log_k           290.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
-#	Enthalpy of formation:	0 kJ/mol
-
-Hg(g)
-        Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++ 
-        log_k           19.7290
-	-delta_H	-170.988	kJ/mol	# Calculated enthalpy of reaction	Hg(g)
-#	Enthalpy of formation:	61.38 kJ/mol
-        -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002
-#       -Range:  0-200
-
-I2(g)
-        I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I- 
-        log_k           -21.4231
-	-delta_H	103.547	kJ/mol	# Calculated enthalpy of reaction	I2(g)
-#	Enthalpy of formation:	62.42 kJ/mol
-        -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002
-#       -Range:  0-200
-
-K(g)
-        K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+ 
-        log_k           81.5815
-	-delta_H	-481.055	kJ/mol	# Calculated enthalpy of reaction	K(g)
-#	Enthalpy of formation:	89 kJ/mol
-        -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002
-#       -Range:  0-200
-
-Kr(g)
-        Kr  =  + 1.0000 Kr       
-        log_k           -2.6051
-	-delta_H	-15.2716	kJ/mol	# Calculated enthalpy of reaction	Kr(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005
-#       -Range:  0-300
-
-Li(g)
-        Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+ 
-        log_k           94.9423
-	-delta_H	-577.639	kJ/mol	# Calculated enthalpy of reaction	Li(g)
-#	Enthalpy of formation:	159.3 kJ/mol
-        -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002
-#       -Range:  0-200
-
-Mg(g)
-        Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++ 
-        log_k           142.2494
-	-delta_H	-892.831	kJ/mol	# Calculated enthalpy of reaction	Mg(g)
-#	Enthalpy of formation:	147.1 kJ/mol
-        -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002
-#       -Range:  0-200
-
-N2(g)
-#        N2 +3.0000 H2O  =  + 1.5000 O2 + 2.0000 NH3   
-#        log_k           -119.6473
-#        -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005
-#       -Range:  0-300
-	N2 = N2
-	log_k 		-3.1864 
-	-delta_H	-10.4391	kJ/mol	# Calculated enthalpy of reaction	N2(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.6452e+000    7.9606e-003    0.0000e+000    0.0000e+000    1.8604e+005
-#       -Range:  0-300
-NH3(g)
-        NH3  =  + 1.0000 NH3       
-        log_k           1.7966
-	-delta_H	-35.2251	kJ/mol	# Calculated enthalpy of reaction	NH3(g)
-#	Enthalpy of formation:	-11.021 kcal/mol
-        -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001
-#       -Range:  0-300
-
-NO(g)
-        NO +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO2- 
-        log_k           0.7554
-	-delta_H	-48.8884	kJ/mol	# Calculated enthalpy of reaction	NO(g)
-#	Enthalpy of formation:	90.241 kJ/mol
-        -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001
-#       -Range:  0-300
-
-NO2(g)
-        NO2 +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO3- 
-        log_k           8.3673
-	-delta_H	-94.0124	kJ/mol	# Calculated enthalpy of reaction	NO2(g)
-#	Enthalpy of formation:	33.154 kJ/mol
-        -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002
-#       -Range:  0-300
-
-Na(g)
-        Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+ 
-        log_k           80.8640
-	-delta_H	-487.685	kJ/mol	# Calculated enthalpy of reaction	Na(g)
-#	Enthalpy of formation:	107.5 kJ/mol
-        -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Ne(g)
-        Ne  =  + 1.0000 Ne       
-        log_k           -3.3462
-	-delta_H	-3.64008	kJ/mol	# Calculated enthalpy of reaction	Ne(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005
-#       -Range:  0-300
-
-O2(g)
-        O2  =  + 1.0000 O2       
-        log_k           -2.8983
-	-delta_H	-12.1336	kJ/mol	# Calculated enthalpy of reaction	O2(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
-#       -Range:  0-300
-
-Pb(g)
-        Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++ 
-        log_k           75.6090
-	-delta_H	-474.051	kJ/mol	# Calculated enthalpy of reaction	Pb(g)
-#	Enthalpy of formation:	195.2 kJ/mol
-        -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002
-#       -Range:  0-200
-
-Rb(g)
-        Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+ 
-        log_k           80.4976
-	-delta_H	-471.909	kJ/mol	# Calculated enthalpy of reaction	Rb(g)
-#	Enthalpy of formation:	80.9 kJ/mol
-        -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002
-#       -Range:  0-200
-
-Rn(g)
-        Rn  =  + 1.0000 Rn       
-        log_k           -2.0451
-	-delta_H	-20.92	kJ/mol	# Calculated enthalpy of reaction	Rn(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005
-#       -Range:  0-300
-
-RuCl3(g)
-        RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-     
-        log_k           41.5503
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3(g)
-#	Enthalpy of formation:	16.84 kJ/mol
-
-RuO3(g)
-        RuO3 +1.0000 H2O  =  + 1.0000 RuO4-- + 2.0000 H+   
-        log_k           2.3859
-	-delta_H	-100.369	kJ/mol	# Calculated enthalpy of reaction	RuO3(g)
-#	Enthalpy of formation:	-70.868 kJ/mol
-        -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001
-#       -Range:  0-200
-
-S2(g)
-        S2 +2.0000 H2O  =  + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+ 
-        log_k           -7.1449
-	-delta_H	-35.656	kJ/mol	# Calculated enthalpy of reaction	S2(g)
-#	Enthalpy of formation:	30.681 kcal/mol
-        -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001
-#       -Range:  0-300
-
-SO2(g)
-	SO2 = SO2
-	log_k	0.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SO2(g)
-#	Enthalpy of formation:	0 kcal/mol
-	-analytic   -2.0205e+001    2.8861e-003    1.4862e+003    5.2958e+000    1.2721e+005
-#       -Range:  0-300
-
-Si(g)
-        Si +1.0000 O2  =  + 1.0000 SiO2     
-        log_k           219.9509
-	-delta_H	-1315.57	kJ/mol	# Calculated enthalpy of reaction	Si(g)
-#	Enthalpy of formation:	450 kJ/mol
-        -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002
-#       -Range:  0-200
-
-SiF4(g)
-        SiF4 +2.0000 H2O  =  + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+ 
-        log_k           -15.1931
-	-delta_H	-32.4123	kJ/mol	# Calculated enthalpy of reaction	SiF4(g)
-#	Enthalpy of formation:	-1615 kJ/mol
-        -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002
-#       -Range:  0-200
-
-Sn(g)
-        Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++ 
-        log_k           94.5019
-	-delta_H	-589.758	kJ/mol	# Calculated enthalpy of reaction	Sn(g)
-#	Enthalpy of formation:	301.2 kJ/mol
-        -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002
-#       -Range:  0-200
-
-Tc2O7(g)
-        Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-   
-        log_k           21.3593
-	-delta_H	-158.131	kJ/mol	# Calculated enthalpy of reaction	Tc2O7(g)
-#	Enthalpy of formation:	-988.569 kJ/mol
-        -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001
-#       -Range:  0-200
-
-Th(g)
-        Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O 
-        log_k           307.8413
-	-delta_H	-1930.56	kJ/mol	# Calculated enthalpy of reaction	Th(g)
-#	Enthalpy of formation:	602 kJ/mol
-        -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003
-#       -Range:  0-200
-
-Ti(g)
-        Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4   
-        log_k           224.3510
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(g)
-#	Enthalpy of formation:	473 kJ/mol
-
-TiBr4(g)
-        TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ 
-        log_k           36.6695
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4(g)
-#	Enthalpy of formation:	-549.339 kJ/mol
-
-TiCl4(g)
-        TiCl4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+ 
-        log_k           28.0518
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl4(g)
-#	Enthalpy of formation:	-763.2 kJ/mol
-
-TiO(g)
-        TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4   
-        log_k           145.5711
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(g)
-#	Enthalpy of formation:	17.144 kJ/mol
-
-U(g)
-        U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           298.3441
-	-delta_H	-1819.64	kJ/mol	# Calculated enthalpy of reaction	U(g)
-#	Enthalpy of formation:	533 kJ/mol
-        -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003
-#       -Range:  0-300
-
-U2Cl10(g)
-        U2Cl10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl- 
-        log_k           82.7621
-	-delta_H	-609.798	kJ/mol	# Calculated enthalpy of reaction	U2Cl10(g)
-#	Enthalpy of formation:	-1967.9 kJ/mol
-        -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002
-#       -Range:  0-300
-
-U2Cl8(g)
-        U2Cl8  =  + 2.0000 U++++ + 8.0000 Cl-     
-        log_k           82.4059
-	-delta_H	-769.437	kJ/mol	# Calculated enthalpy of reaction	U2Cl8(g)
-#	Enthalpy of formation:	-1749.6 kJ/mol
-        -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002
-#       -Range:  0-300
-
-U2F10(g)
-        U2F10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F- 
-        log_k           -12.2888
-	-delta_H	-239.377	kJ/mol	# Calculated enthalpy of reaction	U2F10(g)
-#	Enthalpy of formation:	-4021 kJ/mol
-        -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002
-#       -Range:  0-300
-
-UBr(g)
-        UBr +1.0000 O2  =  + 1.0000 Br- + 1.0000 UO2+   
-        log_k           224.8412
-	-delta_H	-1381.5	kJ/mol	# Calculated enthalpy of reaction	UBr(g)
-#	Enthalpy of formation:	247 kJ/mol
-        -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006
-#       -Range:  0-300
-
-UBr2(g)
-        UBr2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Br-   
-        log_k           192.6278
-	-delta_H	-1218.87	kJ/mol	# Calculated enthalpy of reaction	UBr2(g)
-#	Enthalpy of formation:	-31 kJ/mol
-        -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003
-#       -Range:  0-300
-
-UBr3(g)
-        UBr3  =  + 1.0000 U+++ + 3.0000 Br-     
-        log_k           67.8918
-	-delta_H	-489.61	kJ/mol	# Calculated enthalpy of reaction	UBr3(g)
-#	Enthalpy of formation:	-364 kJ/mol
-        -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002
-#       -Range:  0-300
-
-UBr4(g)
-        UBr4  =  + 1.0000 U++++ + 4.0000 Br-     
-        log_k           54.2926
-	-delta_H	-467.113	kJ/mol	# Calculated enthalpy of reaction	UBr4(g)
-#	Enthalpy of formation:	-610.1 kJ/mol
-        -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002
-#       -Range:  0-300
-
-UBr5(g)
-        UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- 
-        log_k           61.4272
-	-delta_H	-423.222	kJ/mol	# Calculated enthalpy of reaction	UBr5(g)
-#	Enthalpy of formation:	-637.745 kJ/mol
-        -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002
-#       -Range:  0-300
-
-UCl(g)
-        UCl +1.0000 O2  =  + 1.0000 Cl- + 1.0000 UO2+   
-        log_k           221.7887
-	-delta_H	-1368.27	kJ/mol	# Calculated enthalpy of reaction	UCl(g)
-#	Enthalpy of formation:	188.2 kJ/mol
-        -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003
-#       -Range:  0-300
-
-UCl2(g)
-        UCl2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Cl-   
-        log_k           183.7912
-	-delta_H	-1178.03	kJ/mol	# Calculated enthalpy of reaction	UCl2(g)
-#	Enthalpy of formation:	-163 kJ/mol
-        -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002
-#       -Range:  0-300
-
-UCl3(g)
-        UCl3  =  + 1.0000 U+++ + 3.0000 Cl-     
-        log_k           58.6335
-	-delta_H	-453.239	kJ/mol	# Calculated enthalpy of reaction	UCl3(g)
-#	Enthalpy of formation:	-537.1 kJ/mol
-        -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002
-#       -Range:  0-300
-
-UCl4(g)
-        UCl4  =  + 1.0000 U++++ + 4.0000 Cl-     
-        log_k           46.3988
-	-delta_H	-441.419	kJ/mol	# Calculated enthalpy of reaction	UCl4(g)
-#	Enthalpy of formation:	-818.1 kJ/mol
-        -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002
-#       -Range:  0-300
-
-UCl5(g)
-        UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- 
-        log_k           54.5311
-	-delta_H	-406.349	kJ/mol	# Calculated enthalpy of reaction	UCl5(g)
-#	Enthalpy of formation:	-882.5 kJ/mol
-        -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002
-#       -Range:  0-300
-
-UCl6(g)
-        UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- 
-        log_k           63.4791
-	-delta_H	-462.301	kJ/mol	# Calculated enthalpy of reaction	UCl6(g)
-#	Enthalpy of formation:	-987.5 kJ/mol
-        -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002
-#       -Range:  0-300
-
-UF(g)
-        UF +1.0000 O2  =  + 1.0000 F- + 1.0000 UO2+   
-        log_k           206.2684
-	-delta_H	-1296.34	kJ/mol	# Calculated enthalpy of reaction	UF(g)
-#	Enthalpy of formation:	-52 kJ/mol
-        -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003
-#       -Range:  0-300
-
-UF2(g)
-        UF2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 F-   
-        log_k           172.3563
-	-delta_H	-1147.56	kJ/mol	# Calculated enthalpy of reaction	UF2(g)
-#	Enthalpy of formation:	-530 kJ/mol
-        -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005
-#       -Range:  0-300
-
-UF3(g)
-        UF3  =  + 1.0000 U+++ + 3.0000 F-     
-        log_k           47.2334
-	-delta_H	-440.943	kJ/mol	# Calculated enthalpy of reaction	UF3(g)
-#	Enthalpy of formation:	-1054.2 kJ/mol
-        -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002
-#       -Range:  0-300
-
-UF4(g)
-        UF4  =  + 1.0000 U++++ + 4.0000 F-     
-        log_k           14.5980
-	-delta_H	-331.39	kJ/mol	# Calculated enthalpy of reaction	UF4(g)
-#	Enthalpy of formation:	-1601.2 kJ/mol
-        -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002
-#       -Range:  0-300
-
-UF5(g)
-        UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- 
-        log_k           6.3801
-	-delta_H	-220.188	kJ/mol	# Calculated enthalpy of reaction	UF5(g)
-#	Enthalpy of formation:	-1910 kJ/mol
-        -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002
-#       -Range:  0-300
-
-UF6(g)
-        UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- 
-        log_k           18.2536
-	-delta_H	-310.809	kJ/mol	# Calculated enthalpy of reaction	UF6(g)
-#	Enthalpy of formation:	-2148.6 kJ/mol
-        -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002
-#       -Range:  0-300
-
-UI(g)
-        UI +1.0000 O2  =  + 1.0000 I- + 1.0000 UO2+   
-        log_k           230.8161
-	-delta_H	-1410.9	kJ/mol	# Calculated enthalpy of reaction	UI(g)
-#	Enthalpy of formation:	341 kJ/mol
-        -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003
-#       -Range:  0-300
-
-UI2(g)
-        UI2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 I-   
-        log_k           194.5395
-	-delta_H	-1220.67	kJ/mol	# Calculated enthalpy of reaction	UI2(g)
-#	Enthalpy of formation:	100 kJ/mol
-        -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005
-#       -Range:  0-300
-
-UI3(g)
-        UI3  =  + 1.0000 U+++ + 3.0000 I-     
-        log_k           75.6033
-	-delta_H	-519.807	kJ/mol	# Calculated enthalpy of reaction	UI3(g)
-#	Enthalpy of formation:	-140 kJ/mol
-        -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002
-#       -Range:  0-300
-
-UI4(g)
-        UI4  =  + 1.0000 U++++ + 4.0000 I-     
-        log_k           64.3272
-	-delta_H	-510.01	kJ/mol	# Calculated enthalpy of reaction	UI4(g)
-#	Enthalpy of formation:	-308.8 kJ/mol
-        -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002
-#       -Range:  0-300
-
-UO(g)
-        UO +2.0000 H+ +1.0000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           211.6585
-	-delta_H	-1323.2	kJ/mol	# Calculated enthalpy of reaction	UO(g)
-#	Enthalpy of formation:	30.5 kJ/mol
-        -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005
-#       -Range:  0-300
-
-UO2(g)
-        UO2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           125.6027
-	-delta_H	-820.972	kJ/mol	# Calculated enthalpy of reaction	UO2(g)
-#	Enthalpy of formation:	-477.8 kJ/mol
-        -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002
-#       -Range:  0-300
-
-UO2Cl2(g)
-        UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-     
-        log_k           47.9630
-	-delta_H	-381.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2(g)
-#	Enthalpy of formation:	-971.6 kJ/mol
-        -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002
-#       -Range:  0-300
-
-UO2F2(g)
-        UO2F2  =  + 1.0000 UO2++ + 2.0000 F-     
-        log_k           34.6675
-	-delta_H	-337.195	kJ/mol	# Calculated enthalpy of reaction	UO2F2(g)
-#	Enthalpy of formation:	-1352.5 kJ/mol
-        -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002
-#       -Range:  0-300
-
-UO3(g)
-        UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++   
-        log_k           70.9480
-	-delta_H	-505.638	kJ/mol	# Calculated enthalpy of reaction	UO3(g)
-#	Enthalpy of formation:	-799.2 kJ/mol
-        -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002
-#       -Range:  0-300
-
-UOF4(g)
-        UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- 
-        log_k           24.2848
-	-delta_H	-312.552	kJ/mol	# Calculated enthalpy of reaction	UOF4(g)
-#	Enthalpy of formation:	-1762 kJ/mol
-        -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002
-#       -Range:  0-300
-
-Xe(g)
-        Xe  =  + 1.0000 Xe       
-        log_k           -2.3640
-	-delta_H	-18.8698	kJ/mol	# Calculated enthalpy of reaction	Xe(g)
-#	Enthalpy of formation:	0 kcal/mol
-        -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005
-#       -Range:  0-300
-
-Zn(g)
-        Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++ 
-        log_k           85.4140
-	-delta_H	-563.557	kJ/mol	# Calculated enthalpy of reaction	Zn(g)
-#	Enthalpy of formation:	130.4 kJ/mol
-        -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000
-#       -Range:  0-200
-
-Zr(g)
-        Zr +4.0000 H+ +1.0000 O2  =  + 1.0000 Zr++++ + 2.0000 H2O 
-        log_k           277.1324
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(g)
-#	Enthalpy of formation:	608.948 kJ/mol
-
-ZrF4(g)
-        ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-     
-        log_k           142.9515
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(g)
-#	Enthalpy of formation:	-858.24 kJ/mol
-
-EXCHANGE_MASTER_SPECIES
-        X       X-
-EXCHANGE_SPECIES
-        X- = X-
-        log_k           0.0
-
-        Na+ + X- = NaX
-        log_k   0.0
-        -llnl_gamma  4.0     
-
-        K+ + X- = KX
-        log_k   0.7
-        -llnl_gamma  3.0
-        delta_h  -4.3   # Jardine & Sparks, 1984
-
-        Li+ + X- = LiX
-        log_k   -0.08
-        -llnl_gamma  6.0     
-        delta_h  1.4    # Merriam & Thomas, 1956
-
-        NH4+ + X- = NH4X
-        log_k   0.6
-        -llnl_gamma  2.5     
-        delta_h  -2.4   # Laudelout et al., 1968
-
-        Ca+2 + 2X- = CaX2
-        log_k   0.8
-        -llnl_gamma  6.0     
-        delta_h  7.2    # Van Bladel & Gheyl, 1980
-
-        Mg+2 + 2X- = MgX2
-        log_k   0.6
-        -llnl_gamma  8.0
-        delta_h  7.4    # Laudelout et al., 1968
-
-        Sr+2 + 2X- = SrX2
-        log_k   0.91
-        -llnl_gamma  5.0
-        delta_h  5.5    # Laudelout et al., 1968
-
-        Ba+2 + 2X- = BaX2
-        log_k   0.91
-        -llnl_gamma  5.0     
-        delta_h  4.5    # Laudelout et al., 1968
-
-        Mn+2 + 2X- = MnX2
-        log_k   0.52
-        -llnl_gamma  6.0     
-
-        Fe+2 + 2X- = FeX2
-        log_k   0.44
-        -llnl_gamma  6.0     
-
-        Cu+2 + 2X- = CuX2
-        log_k   0.6
-        -llnl_gamma  6.0     
-
-        Zn+2 + 2X- = ZnX2
-        log_k   0.8
-        -llnl_gamma  6.0     
-
-        Cd+2 + 2X- = CdX2
-        log_k   0.8
-        -llnl_gamma  5.0     
-
-        Pb+2 + 2X- = PbX2
-        log_k   1.05
-        -llnl_gamma  4.5
-
-        Al+3 + 3X- = AlX3
-        log_k   0.41
-        -llnl_gamma  9.0     
-
-        AlOH+2 + 2X- = AlOHX2
-        log_k   0.89
-        -llnl_gamma  4.5
-
-SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
-SURFACE_SPECIES
-#   All surface data from
-#   Dzombak and Morel, 1990
-#
-#
-#   Acid-base data from table 5.7
-#
-#   strong binding site--Hfo_s,
-
-        Hfo_sOH = Hfo_sOH
-        log_k  0.0
-
-        Hfo_sOH  + H+ = Hfo_sOH2+
-        log_k  7.29    # = pKa1,int
-
-        Hfo_sOH = Hfo_sO- + H+
-        log_k  -8.93   # = -pKa2,int
-
-#   weak binding site--Hfo_w
-
-        Hfo_wOH = Hfo_wOH
-        log_k  0.0
-
-        Hfo_wOH  + H+ = Hfo_wOH2+
-        log_k  7.29    # = pKa1,int
-
-        Hfo_wOH = Hfo_wO- + H+
-        log_k  -8.93   # = -pKa2,int
-
-###############################################
-#             CATIONS                         #
-###############################################
-#
-#   Cations from table 10.1 or 10.5
-#
-#   Calcium
-        Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k  4.97
-
-        Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
-        log_k -5.85
-#   Strontium
-        Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-        log_k  5.01
-
-        Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
-        log_k -6.58
-
-        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
-        log_k -17.60
-#   Barium
-        Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-        log_k  5.46
-
-        Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-        log_k  -7.2                     # table 10.5
-#
-#   Cations from table 10.2
-#
-#   Cadmium
-        Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-        log_k  0.47
-
-        Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-        log_k   -2.91
-#   Zinc
-        Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-        log_k  0.99
-
-        Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-        log_k   -1.99
-#   Copper
-        Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-        log_k  2.89
-
-        Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-        log_k  0.6                      # table 10.5
-#   Lead
-        Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-        log_k  4.65
-
-        Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-        log_k  0.3                      # table 10.5
-#
-#   Derived constants table 10.5
-#
-#   Magnesium
-        Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
-        log_k -4.6
-#   Manganese
-        Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-        log_k  -0.4                     # table 10.5
-
-        Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-        log_k -3.5                      # table 10.5
-# Iron
-        Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-        log_k   0.7     # LFER using table 10.5
-
-        Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-        log_k -2.5      # LFER using table 10.5
-
-###############################################
-#             ANIONS                          #
-###############################################
-#
-#   Anions from table 10.6
-#
-#   Phosphate
-        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-        log_k   31.29
-
-        Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-        log_k   25.39
-
-        Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-        log_k   17.72
-#
-#   Anions from table 10.7
-#
-#   Borate
-        Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
-        log_k   0.62
-#
-#   Anions from table 10.8
-#
-#   Sulfate
-        Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-        log_k   7.78
-
-        Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
-#
-#   Derived constants table 10.10
-#
-        Hfo_wOH + F- + H+ = Hfo_wF + H2O
-        log_k   8.7
-
-        Hfo_wOH + F- = Hfo_wOHF-
-        log_k   1.6
-#
-# Carbonate: Van Geen et al., 1994 reoptimized for HFO
-# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
-#
-#        Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-#        log_k   12.56
-# 
-#        Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-#        log_k   20.62
-
-# 9/19/96
-#       Added analytical expression for H2S, NH3, KSO4.
-#       Added species CaHSO4+.
-#       Added delta H for Goethite.
-
-RATES
-
-###########
-#K-feldspar
-###########
-#
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
-# chemical weathering: Lund University Press, Lund, 246 p.
-#
-# Example of KINETICS data block for K-feldspar rate:
-#       KINETICS 1
-#       K-feldspar
-#               -m0 2.16  # 10% K-fsp, 0.1 mm cubes
-#               -m  1.94
-#               -parms 1.36e4  0.1
-
-K-feldspar
- -start
-   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
-   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
-   3 rem parm(2) = corrects for field rate relative to lab rate
-   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-   
-   10    dif_temp = 1/TK - 1/298
-   20    pk_H = 12.5 + 3134 * dif_temp
-   30    pk_w = 15.3 + 1838 * dif_temp
-   40    pk_OH = 14.2 + 3134 * dif_temp
-   50    pk_CO2 = 14.6 + 1677 * dif_temp
-   #60   pk_org = 13.9 + 1254 * dif_temp  # rate increase with DOC
-   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
-   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
-   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
-   80    moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
-   81 rem decrease rate on precipitation
-   90    if SR("K-feldspar") > 1 then moles = moles * 0.1
-   100   save moles
- -end
-
-###########
-#Albite
-###########
-#
-# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
-# chemical weathering: Lund University Press, Lund, 246 p.
-#
-# Example of KINETICS data block for Albite rate:
-#       KINETICS 1
-#       Albite
-#               -m0 0.43  # 2% Albite, 0.1 mm cubes
-#               -parms 2.72e3  0.1
-
-Albite
- -start
-   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
-   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
-   3 rem parm(2) = corrects for field rate relative to lab rate
-   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
-   
-   10    dif_temp = 1/TK - 1/298
-   20    pk_H = 12.5 + 3359 * dif_temp
-   30    pk_w = 14.8 + 2648 * dif_temp
-   40    pk_OH = 13.7 + 3359 * dif_temp
-   #41 rem         ^12.9 in Sverdrup, but larger than for oligoclase...
-   50    pk_CO2 = 14.0 + 1677 * dif_temp
-   #60   pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
-   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
-   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
-   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
-   80    moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
-   81 rem decrease rate on precipitation
-   90    if SR("Albite") > 1 then moles = moles * 0.1
-   100   save moles
- -end
-
-########
-#Calcite
-########
-#
-# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, 
-# American Journal of Science, v. 278, p. 179-216.
-#
-# Example of KINETICS data block for calcite rate:
-#
-#       KINETICS 1
-#       Calcite 
-#               -tol    1e-8
-#               -m0     3.e-3
-#               -m      3.e-3
-#               -parms  5.0      0.6
-Calcite
-  -start
-   1 rem        Modified from Plummer and others, 1978
-   2 rem        parm(1) = A/V, 1/m     parm(2) = exponent for m/m0
-
-   10 si_cc = si("Calcite")
-   20 if (m <= 0  and si_cc < 0) then goto 200
-   30  k1 = 10^(0.198 - 444.0 / (273.16 + tc) )
-   40  k2 = 10^(2.84 - 2177.0 / (273.16 + tc) )
-   50  if tc <= 25 then k3 = 10^(-5.86 - 317.0 / (273.16 + tc) )
-   60  if tc > 25 then k3 = 10^(-1.1 - 1737.0 / (273.16 + tc) )
-   70   t = 1
-   80   if m0 > 0 then t = m/m0
-   90   if t = 0 then t = 1
-   100   moles = parm(1) * (t)^parm(2)
-   110   moles = moles * (k1 * act("H+") + k2 * act("CO2") + k3 * act("H2O"))
-   120   moles = moles * (1 - 10^(2/3*si_cc))
-   130   moles = moles * time
-   140  if (moles > m) then moles = m
-   150 if (moles >= 0) then goto 200
-   160  temp = tot("Ca")
-   170  mc  = tot("C(4)")
-   180  if mc < temp then temp = mc
-   190  if -moles > temp then moles = -temp
-   200 save moles
-  -end
-
-#######
-#Pyrite
-#######
-#
-# Williamson, M.A. and Rimstidt, J.D., 1994, 
-# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
-#
-# Example of KINETICS data block for pyrite rate:
-#       KINETICS 1
-#       Pyrite  
-#               -tol    1e-8
-#               -m0     5.e-4
-#               -m      5.e-4
-#               -parms  2.0     0.67     .5      -0.11 
-Pyrite
-  -start
-   1 rem        Williamson and Rimstidt, 1994
-   2 rem        parm(1) = log10(A/V, 1/dm)      parm(2) = exp for (m/m0)
-   3 rem        parm(3) = exp for O2            parm(4) = exp for H+
-      
-   10 if (m <= 0) then goto 200
-   20 if (si("Pyrite") >= 0) then goto 200
-   20  rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
-   30  moles = 10^rate * time
-   40 if (moles > m) then moles = m
-   200 save moles
-  -end
-
-##########
-#Organic_C
-##########
-#
-# Example of KINETICS data block for Organic_C rate:
-#       KINETICS 1
-#       Organic_C
-#               -tol    1e-8
-#              # m in mol/kgw
-#               -m0     5e-3
-#               -m      5e-3
-Organic_C
- -start
-   1  rem      Additive Monod kinetics
-   2  rem      Electron acceptors: O2, NO3, and SO4
-
-   10 if (m <= 0) then goto 200
-   20  mO2 = mol("O2")
-   30  mNO3 = tot("N(5)")
-   40  mSO4 = tot("S(6)")
-   50   rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
-   60   rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
-   70  moles = rate * m * (m/m0) * time
-   80 if (moles > m) then moles = m
-   200 save moles
- -end
-
-###########
-#Pyrolusite
-###########
-#
-# Postma, D. and Appelo, C.A.J., 2000, GCA 64, in press
-#
-# Example of KINETICS data block for Pyrolusite
-#       KINETICS 1-12
-#       Pyrolusite
-#               -tol    1.e-7
-#               -m0     0.1
-#               -m      0.1
-Pyrolusite
-  -start
-   5    if (m <= 0.0) then goto 200
-   7    sr_pl = sr("Pyrolusite")
-   9    if abs(1 - sr_pl) < 0.1 then goto 200
-   10   if (sr_pl > 1.0) then goto 100
-   #20 rem      initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
-   #22 rem       time (3 cells) = 1.432e4.  1/time = 6.98e-5
-   30   Fe_t = tot("Fe(2)")
-   32   if Fe_t < 1.e-8 then goto 200
-   40   moles = 6.98e-5 * Fe_t  * (m/m0)^0.67 * time * (1 - sr_pl)
-   50   if moles > Fe_t / 2 then moles = Fe_t / 2
-   70   if moles > m then moles = m
-   90   goto 200
-   100  Mn_t = tot("Mn")
-   110  moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
-   120  if moles <= -Mn_t then moles = -Mn_t
-   200  save moles
-  -end
-END
+#  $Id: llnl.dat 4023 2010-02-09 21:02:42Z dlpark $
+#Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at
+#Lawrence Livermore National Laboratory, in Geochemist's Workbench
+#format. Converted to Phreeqc format by Greg Anderson with help from
+#David Parkhurst. A few organic species have been omitted.  
+
+#Delta H of reaction calculated from Delta H of formations given in
+#thermo.com.V8.R6.230 (8 Mar 2000).
+
+#Note that species have various valid temperature ranges, noted in
+#the Range parameter. However, Phreeqc at present makes no use of
+#this parameter, so it is the user's responsibility to remain in the
+#valid temperature range for all the data used.
+
+#This version is relatively untested. Kindly send comments or
+#corrections to Greg Anderson at greg@geology.utoronto.ca.
+
+LLNL_AQUEOUS_MODEL_PARAMETERS
+-temperatures
+         0.0100   25.0000   60.0000  100.0000
+       150.0000  200.0000  250.0000  300.0000
+#debye huckel a (adh)
+-dh_a
+         0.4939    0.5114    0.5465    0.5995
+         0.6855    0.7994    0.9593    1.2180
+#debye huckel b (bdh)
+-dh_b
+         0.3253    0.3288    0.3346    0.3421
+         0.3525    0.3639    0.3766    0.3925
+-bdot
+         0.0374    0.0410    0.0438    0.0460
+         0.0470    0.0470    0.0340    0.0000
+#cco2   (coefficients for the Drummond (1981) polynomial)
+-co2_coefs
+        -1.0312              0.0012806
+          255.9                 0.4445
+      -0.001606
+NAMED_EXPRESSIONS
+#
+# formation of O2 from H2O 
+# 2H2O =  O2 + 4H+ + 4e-  
+#
+	Log_K_O2
+	 	log_k      -85.9951
+		-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
+#	Enthalpy of formation:	-2.9 kcal/mol
+	        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+#	Range:  0-300
+
+
+SOLUTION_MASTER_SPECIES
+
+#element species        alk     gfw_formula     element_gfw
+
+Acetate	 CH3COO-	0.0	CH3COO-		59.0252
+Ag	 Ag+		0.0	Ag		107.8682
+Ag(1)	 Ag+		0	Ag
+Ag(2)	 Ag+2   	0	Ag
+Al       Al+3           0.0     Al              26.9815
+Alkalinity HCO3-        1.0     Ca0.5(CO3)0.5   50.05
+Am	 Am+3		0.0	Am		243.0000
+Am(+2)	 Am+2		0.0	Am
+Am(+3)	 Am+3		0.0	Am
+Am(+4)	 Am+4		0.0	Am
+Am(+5)	 AmO2+		0.0	Am
+Am(+6)	 AmO2+2		0.0	Am
+Ar	 Ar		0.0	Ar		39.948
+As	 H2AsO4-	0.0	As		74.9216
+As(-3)	 AsH3		0.0	As
+As(+3)	 H2AsO3-	0.0	As
+As(+5)	 H2AsO4-	0.0	As
+Au	 Au+		0.0	Au		196.9665
+Au(+1)	 Au+		0.0	Au
+Au(+3)	 Au+3		0.0	Au
+#B        H3BO3          0.0     B               10.811
+B        B(OH)3         0.0     B               10.811
+B(3)	 B(OH)3	 	0	B
+B(-5)	 BH4-	 	0	B
+Ba       Ba+2           0.0     Ba              137.3270
+Be	 Be+2		0.0	Be		9.0122
+Br       Br-            0.0     Br              79.904
+Br(-03)	 Br3- 		0	Br
+Br(-1)	 Br-		0	Br
+Br(0)	 Br2		0	Br
+Br(1)	 BrO-		0	Br
+Br(5)	 BrO3-		0	Br
+Br(7)	 BrO4-		0	Br
+C(-4)	 CH4		0.0	CH4
+C(-3)	 C2H6		0.0	C2H6
+C(-2.667) C3H8		0	C3H8
+C(-2)	 C2H4		0.0	C2H4
+C(-1.14) C7H8	 	0	C7H8
+C(-1)	 C6H6		0	C6H6
+C(-0.667) C6H5OH	0	C6H5OH
+C(-.286) C7H6O2		0	C7H6O2
+C        HCO3-          1.0     HCO3		12.0110 
+C(+1)	 C3H7COOH	0	C3H7COOH	
+C(+2)	 CO		0	C
+C(+4)    HCO3-          1.0     HCO3
+Ca       Ca+2           0.0     Ca              40.078
+Cyanide  Cyanide-	1.0     CN		26.
+Cd       Cd+2           0.0     Cd              112.411
+Ce	 Ce+3		0.0	Ce		140.115
+Ce(+2)	 Ce+2		0.0	Ce
+Ce(+3)	 Ce+3		0.0	Ce
+Ce(+4)	 Ce+4		0.0	Ce
+Cl       Cl-            0.0     Cl              35.4527
+Cl(-1)	 Cl-		0	Cl
+Cl(1)	 ClO-		0	Cl
+Cl(3)	 ClO2-		0	Cl
+Cl(5)	 ClO3-		0	Cl
+Cl(7)	 ClO4-		0	Cl
+Co	 Co+2		0.0	Co		58.9332
+Co(+2)	 Co+2		0.0	Co
+Co(+3)	 Co+3		0.0	Co
+Cr	 CrO4-2		0.0	CrO4-2  	51.9961
+Cr(+2)	 Cr+2		0.0	Cr
+Cr(+3)	 Cr+3		0.0	Cr
+Cr(+5)	 CrO4-3		0.0	Cr
+Cr(+6)	 CrO4-2		0.0	Cr
+Cs	 Cs+		0.0	Cs		132.9054
+Cu       Cu+2           0.0     Cu              63.546
+Cu(+1)   Cu+1           0.0     Cu
+Cu(+2)   Cu+2           0.0     Cu
+Dy	 Dy+3		0.0	Dy		162.50
+Dy(+2)	 Dy+2		0.0	Dy
+Dy(+3)	 Dy+3		0.0	Dy
+E        e-             0.0     0.0             0.0
+Er	 Er+3		0.0	Er		167.26
+Er(+2)	 Er+2		0.0	Er
+Er(+3)	 Er+3		0.0	Er
+#Ethylene C2H4	        0.0     C2H4	        28.0536 
+Eu	 Eu+3		0.0	Eu		151.965
+Eu(+2)	 Eu+2		0.0	Eu
+Eu(+3)	 Eu+3		0.0	Eu
+F        F-             0.0     F               18.9984
+Fe       Fe+2           0.0     Fe              55.847
+Fe(+2)   Fe+2           0.0     Fe
+Fe(+3)   Fe+3           -2.0    Fe
+Ga	 Ga+3		0.0	Ga		69.723
+Gd	 Gd+3		0.0	Gd		157.25
+Gd(+2)	 Gd+2		0.0	Gd
+Gd(+3)	 Gd+3		0.0	Gd
+H        H+             -1.     H               1.0079
+H(0)     H2             0.0     H
+H(+1)    H+             -1.     0.0
+He	 He		0.0	He		4.0026
+He(0)	 He		0.0	He
+Hf	 Hf+4		0.0	Hf		178.49
+Hg	 Hg+2		0.0	Hg		200.59
+Hg(+1)	 Hg2+2		0.0	Hg
+Hg(+2)	 Hg+2		0.0	Hg
+Ho	 Ho+3		0.0	Ho		164.9303
+Ho(+2)	 Ho+2		0.0	Ho
+Ho(+3)	 Ho+3		0.0	Ho
+I	 I-		0.0	I		126.9045
+I(-03)   I3-		0	I
+I(-1)	 I-		0.0	I
+I(+1)	 IO-		0.0	I
+I(+5)	 IO3-		0.0	I
+I(+7)	 IO4-		0.0	I
+In	 In+3		0.0	In		114.82
+K        K+             0.0     K               39.0983
+Kr	 Kr		0.0	Kr		83.80
+Kr(0)	 Kr		0.0	Kr
+La	 La+3		0.0	La		138.9055
+La(2)	 La+2		0	La
+La(3)	 La+3		0	La
+Li       Li+            0.0     Li              6.9410
+Lu	 Lu+3		0.0	Lu		174.967
+Mg       Mg+2           0.0     Mg              24.305
+Mn       Mn+2           0.0     Mn              54.938
+Mn(+2)   Mn+2           0.0     Mn
+Mn(+3)   Mn+3           0.0     Mn
+Mn(+6)   MnO4-2		0	Mn
+Mn(+7)   MnO4-		0	Mn
+Mo	 MoO4-2		0.0	Mo		95.94
+N        NH3            1.0     N               14.0067
+N(-3)    NH3            1.0     N
+N(-03)   N3-		0.0	N
+N(0)     N2             0.0     N
+N(+3)    NO2-           0.0     N
+N(+5)    NO3-           0.0     N
+Na       Na+            0.0     Na              22.9898
+Nd	 Nd+3		0.0	Nd		144.24
+Nd(+2)	 Nd+2		0.0	Nd
+Nd(+3)	 Nd+3		0.0	Nd
+Ne	 Ne		0.0	Ne		20.1797
+#Ne(0)	 Ne		0.0	Ne
+Ni	 Ni+2		0.0	Ni		58.69
+Np	 Np+4		0.0	Np		237.048
+Np(+3)	 Np+3		0.0	Np
+Np(+4)	 Np+4		0.0	Np
+Np(+5)	 NpO2+		0.0	Np
+Np(+6)	 NpO2+2		0.0	Np
+O        H2O            0.0     O               15.994
+O(-2)    H2O            0.0     0.0
+O(0)     O2             0.0     O
+O_phthalate O_phthalate-2 0 1 1
+P        HPO4-2         2.0     P               30.9738
+P(-3)	 PH4+		0	P
+P(5)     HPO4-2         2.0     P
+Pb       Pb+2           0.0     Pb              207.20 
+Pb(+2)	 Pb+2		0.0	Pb
+Pb(+4)	 Pb+4		0.0	Pb
+Pd	 Pd+2		0.0	Pd		106.42
+Pm	 Pm+3		0.0	Pm		147.00
+Pm(+2)	 Pm+2		0.0	Pm
+Pm(+3)	 Pm+3		0.0	Pm
+Pr	 Pr+3		0.0	Pr		140.9076
+Pr(+2)	 Pr+2		0.0	Pr
+Pr(+3)	 Pr+3		0.0	Pr
+Pu	 Pu+4		0.0	Pu		244.00
+Pu(+3)	 Pu+3		0.0	Pu
+Pu(+4)	 Pu+4		0.0	Pu
+Pu(+5)	 PuO2+		0.0	Pu
+Pu(+6)	 PuO2+2		0.0	Pu
+Ra	 Ra+2		0.0	Ra		226.025
+Rb	 Rb+		0.0	Rb		85.4678
+Re	 ReO4-		0.0	Re		186.207
+Rn	 Rn		0.0	Rn		222.00
+Ru	 RuO4-2		0.0	Ru		101.07
+Ru(+2)	 Ru+2		0.0	Ru
+Ru(+3)	 Ru+3		0.0	Ru
+Ru(+4)	 Ru(OH)2+2	0.0	Ru
+Ru(+6)	 RuO4-2		0.0	Ru
+Ru(+7)	 RuO4-		0.0	Ru
+Ru(+8)	 RuO4		0.0	Ru
+S	 SO4-2          0.0     SO4             32.066
+S(-2)	 HS-            1.0     S
+S(+2)	 S2O3-2		0.0	S
+S(+3)	 S2O4-2		0.0	S
+S(+4)	 SO3-2		0.0	S
+S(+5)	 S2O5-2		0.0	S
+S(+6)	 SO4-2          0.0     SO4
+S(+7)	 S2O8-2		0.0	S
+S(+8)	 HSO5-		0.0	S
+Sb	 Sb(OH)3	0.0	Sb		121.75
+Sc	 Sc+3		0.0	Sc		44.9559
+Se	 SeO3-2		0.0	Se		78.96
+Se(-2)	 HSe-		0.0	Se
+Se(+4)	 SeO3-2		0.0	Se
+Se(+6)	 SeO4-2		0.0	Se
+Si       SiO2           0.0     SiO2            28.0855
+Sm	 Sm+3		0.0	Sm		150.36
+Sm(+2)	 Sm+2		0.0	Sm
+Sm(+3)	 Sm+3		0.0	Sm
+Sn	 Sn+2		0.0	Sn		118.71
+Sn(+2)	 Sn+2		0.0	Sn
+Sn(+4)	 Sn+4		0.0	Sn
+Sr       Sr+2           0.0     Sr              87.62
+Tb	 Tb+3		0.0	Tb		158.9253
+Tb(+2)	 Tb+2		0.0	Tb
+Tb(+3)	 Tb+3		0.0	Tb
+Tc	 TcO4-		0.0	Tc		98.00
+Tc(+3)	 Tc+3		0.0	Tc
+Tc(+4)	 TcO+2		0.0	Tc
+Tc(+5)	 TcO4-3		0.0	Tc
+Tc(+6)	 TcO4-2		0.0	Tc
+Tc(+7)	 TcO4-		0.0	Tc
+Thiocyanate Thiocyanate- 0.0    SCN             58.
+Th	 Th+4		0.0	Th		232.0381
+Ti	 Ti(OH)4	0.0	Ti		47.88
+Tl	 Tl+		0.0	Tl		204.3833
+Tl(+1)	 Tl+		0.0	Tl
+Tl(+3)	 Tl+3		0.0	Tl
+Tm	 Tm+3		0.0	Tm		168.9342
+Tm(+2)	 Tm+2		0.0	Tm
+Tm(+3)	 Tm+3		0.0	Tm
+U	 UO2+2		0.0	U		238.0289
+U(+3)	 U+3		0.0	U
+U(+4)	 U+4		0.0	U
+U(+5)	 UO2+		0.0	U
+U(+6)	 UO2+2		0.0	U
+V	 VO+2		0.0	V		50.9415
+V(+3)	 V+3		0.0	V
+V(+4)	 VO+2		0.0	V
+V(+5)	 VO2+		0.0	V
+W	 WO4-2		0.0	W		183.85
+Xe	 Xe		0.0	Xe		131.29
+Xe(0)	 Xe		0.0	Xe
+Y	 Y+3		0.0	Y		88.9059
+Yb	 Yb+3		0.0	Yb		173.04
+Yb(+2)	 Yb+2		0.0	Yb
+Yb(+3)	 Yb+3		0.0	Yb
+Zn       Zn+2           0.0     Zn              65.39
+Zr	 Zr(OH)2+2	0.0	Zr		91.224
+
+SOLUTION_SPECIES
+
+#HAcetate =  HAcetate 
+#	-llnl_gamma	3.0000	
+#	log_k 0
+#	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HAcetate
+#	Enthalpy of formation:	-116.1 kcal/mol
+CH3COO- = CH3COO-
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	CH3COO-
+#	Enthalpy of formation:	-116.374 kcal/mol
+Ag+ =  Ag+ 
+	-llnl_gamma	2.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ag+
+#	Enthalpy of formation:	25.275 kcal/mol
+Al+3 =  Al+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Al+3
+#	Enthalpy of formation:	-128.681 kcal/mol
+Am+3 =  Am+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Am+3
+#	Enthalpy of formation:	-616.7 kJ/mol
+Ar =  Ar 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ar
+#	Enthalpy of formation:	-2.87 kcal/mol
+Au+ =  Au+ 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Au+
+#	Enthalpy of formation:	47.58 kcal/mol
+B(OH)3 =  B(OH)3 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	B(OH)3
+#	Enthalpy of formation:	-256.82 kcal/mol
+Ba+2 =  Ba+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
+#	Enthalpy of formation:	-128.5 kcal/mol
+Be+2 =  Be+2 
+	-llnl_gamma	8.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Be+2
+#	Enthalpy of formation:	-91.5 kcal/mol
+Br- =  Br- 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Br-
+#	Enthalpy of formation:	-29.04 kcal/mol
+Ca+2 =  Ca+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ca+2
+#	Enthalpy of formation:	-129.8 kcal/mol
+Cd+2 =  Cd+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
+#	Enthalpy of formation:	-18.14 kcal/mol
+Ce+3 =  Ce+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
+#	Enthalpy of formation:	-167.4 kcal/mol
+Cl- =  Cl- 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cl-
+#	Enthalpy of formation:	-39.933 kcal/mol
+Co+2 =  Co+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Co+2
+#	Enthalpy of formation:	-13.9 kcal/mol
+CrO4-2 =  CrO4-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	CrO4-2
+#	Enthalpy of formation:	-210.6 kcal/mol
+Cs+ =  Cs+ 
+	-llnl_gamma	2.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cs+
+#	Enthalpy of formation:	-61.67 kcal/mol
+Cu+2 =  Cu+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cu+2
+#	Enthalpy of formation:	15.7 kcal/mol
+Dy+3 =  Dy+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Dy+3
+#	Enthalpy of formation:	-166.5 kcal/mol
+e- =  e- 
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	e-
+#	Enthalpy of formation:	-0 kJ/mol
+Er+3 =  Er+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Er+3
+#	Enthalpy of formation:	-168.5 kcal/mol
+#Ethylene =  Ethylene 
+#	-llnl_gamma	3.0000	
+#	log_k 0
+#	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ethylene
+#	Enthalpy of formation:	8.57 kcal/mol
+Eu+3 =  Eu+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Eu+3
+#	Enthalpy of formation:	-144.7 kcal/mol
+F- =  F- 
+	-llnl_gamma	3.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	F-
+#	Enthalpy of formation:	-80.15 kcal/mol
+Fe+2 =  Fe+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Fe+2
+#	Enthalpy of formation:	-22.05 kcal/mol
+Ga+3 =  Ga+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ga+3
+#	Enthalpy of formation:	-50.6 kcal/mol
+Gd+3 =  Gd+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Gd+3
+#	Enthalpy of formation:	-164.2 kcal/mol
+H+ =  H+ 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H+
+#	Enthalpy of formation:	-0 kJ/mol
+He =  He 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	He
+#	Enthalpy of formation:	-0.15 kcal/mol
+H2AsO4- =  H2AsO4- 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2AsO4-
+#	Enthalpy of formation:	-217.39 kcal/mol
+HCO3- =  HCO3- 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HCO3-
+#	Enthalpy of formation:	-164.898 kcal/mol
+HPO4-2 =  HPO4-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HPO4-2
+#	Enthalpy of formation:	-308.815 kcal/mol
+Hf+4 =  Hf+4 
+	log_k 0
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf+4
+#	Enthalpy of formation:	-0 kcal/mol
+Hg+2 =  Hg+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Hg+2
+#	Enthalpy of formation:	40.67 kcal/mol
+Ho+3 =  Ho+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ho+3
+#	Enthalpy of formation:	-169 kcal/mol
+I- =  I- 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	I-
+#	Enthalpy of formation:	-13.6 kcal/mol
+In+3 =  In+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	In+3
+#	Enthalpy of formation:	-25 kcal/mol
+K+ =  K+ 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	K+
+#	Enthalpy of formation:	-60.27 kcal/mol
+Kr =  Kr 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Kr
+#	Enthalpy of formation:	-3.65 kcal/mol
+La+3 =  La+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	La+3
+#	Enthalpy of formation:	-169.6 kcal/mol
+Li+ =  Li+ 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Li+
+#	Enthalpy of formation:	-66.552 kcal/mol
+Lu+3 =  Lu+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Lu+3
+#	Enthalpy of formation:	-167.9 kcal/mol
+Mg+2 =  Mg+2 
+	-llnl_gamma	8.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mg+2
+#	Enthalpy of formation:	-111.367 kcal/mol
+Mn+2 =  Mn+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mn+2
+#	Enthalpy of formation:	-52.724 kcal/mol
+MoO4-2 =  MoO4-2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	MoO4-2
+#	Enthalpy of formation:	-238.5 kcal/mol
+NH3 =  NH3 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	NH3
+#	Enthalpy of formation:	-19.44 kcal/mol
+Na+ =  Na+ 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Na+
+#	Enthalpy of formation:	-57.433 kcal/mol
+Nd+3 =  Nd+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Nd+3
+#	Enthalpy of formation:	-166.5 kcal/mol
+Ne =  Ne 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ne
+#	Enthalpy of formation:	-0.87 kcal/mol
+Ni+2 =  Ni+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ni+2
+#	Enthalpy of formation:	-12.9 kcal/mol
+Np+4 =  Np+4 
+	-llnl_gamma	5.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Np+4
+#	Enthalpy of formation:	-556.001 kJ/mol
+H2O =  H2O 
+	-llnl_gamma	3.0000	
+        log_k   0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2O
+#	Enthalpy of formation:	-68.317 kcal/mol
+O_phthalate-2 =  O_phthalate-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O_phthalate-2
+#	Enthalpy of formation:	-0 kcal/mol
+Pb+2 =  Pb+2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
+#	Enthalpy of formation:	0.22 kcal/mol
+Pd+2 =  Pd+2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pd+2
+#	Enthalpy of formation:	42.08 kcal/mol
+Pm+3 =  Pm+3 
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pm+3
+#	Enthalpy of formation:	-688 kJ/mol
+Pr+3 =  Pr+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pr+3
+#	Enthalpy of formation:	-168.8 kcal/mol
+Pu+4 =  Pu+4 
+	-llnl_gamma	5.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pu+4
+#	Enthalpy of formation:	-535.893 kJ/mol
+Ra+2 =  Ra+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ra+2
+#	Enthalpy of formation:	-126.1 kcal/mol
+Rb+ =  Rb+ 
+	-llnl_gamma	2.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rb+
+#	Enthalpy of formation:	-60.02 kcal/mol
+ReO4- =  ReO4- 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	ReO4-
+#	Enthalpy of formation:	-188.2 kcal/mol
+Rn =  Rn 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rn
+#	Enthalpy of formation:	-5 kcal/mol
+RuO4-2 =  RuO4-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	RuO4-2
+#	Enthalpy of formation:	-457.075 kJ/mol
+SO4-2 =  SO4-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SO4-2
+#	Enthalpy of formation:	-217.4 kcal/mol
+Sb(OH)3 =  Sb(OH)3 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sb(OH)3
+#	Enthalpy of formation:	-773.789 kJ/mol
+Sc+3 =  Sc+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sc+3
+#	Enthalpy of formation:	-146.8 kcal/mol
+SeO3-2 =  SeO3-2 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SeO3-2
+#	Enthalpy of formation:	-121.7 kcal/mol
+SiO2 =  SiO2 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SiO2
+#	Enthalpy of formation:	-209.775 kcal/mol
+Sm+3 =  Sm+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sm+3
+#	Enthalpy of formation:	-165.2 kcal/mol
+Sn+2 =  Sn+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sn+2
+#	Enthalpy of formation:	-2.1 kcal/mol
+Sr+2 =  Sr+2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
+#	Enthalpy of formation:	-131.67 kcal/mol
+Tb+3 =  Tb+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tb+3
+#	Enthalpy of formation:	-166.9 kcal/mol
+TcO4- =  TcO4- 
+	-llnl_gamma	4.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	TcO4-
+#	Enthalpy of formation:	-716.269 kJ/mol
+Th+4 =  Th+4 
+	-llnl_gamma	11.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Th+4
+#	Enthalpy of formation:	-183.8 kcal/mol
+Ti(OH)4 =  Ti(OH)4 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(OH)4
+#	Enthalpy of formation:	-0 kcal/mol
+Tl+ =  Tl+ 
+	-llnl_gamma	2.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tl+
+#	Enthalpy of formation:	1.28 kcal/mol
+Tm+3 =  Tm+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tm+3
+#	Enthalpy of formation:	-168.5 kcal/mol
+UO2+2 =  UO2+2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	UO2+2
+#	Enthalpy of formation:	-1019 kJ/mol
+VO+2 =  VO+2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	VO+2
+#	Enthalpy of formation:	-116.3 kcal/mol
+WO4-2 =  WO4-2 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	WO4-2
+#	Enthalpy of formation:	-257.1 kcal/mol
+Xe =  Xe 
+	-llnl_gamma	3.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Xe
+#	Enthalpy of formation:	-4.51 kcal/mol
+Y+3 =  Y+3 
+	-llnl_gamma	9.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Y+3
+#	Enthalpy of formation:	-170.9 kcal/mol
+Yb+3 =  Yb+3 
+	-llnl_gamma	5.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Yb+3
+#	Enthalpy of formation:	-160.3 kcal/mol
+Zn+2 =  Zn+2 
+	-llnl_gamma	6.0000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zn+2
+#	Enthalpy of formation:	-36.66 kcal/mol
+Zr(OH)2+2 =  Zr(OH)2+2 
+	-llnl_gamma	4.5000	
+	log_k 0
+	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zr(OH)2+2
+#	Enthalpy of formation:	-260.717 kcal/mol
+
+2H2O =  O2 + 4H+ + 4e-  
+	-CO2_llnl_gamma
+ 	log_k      -85.9951
+	-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
+#	Enthalpy of formation:	-2.9 kcal/mol
+        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+#       -Range:  0-300
+
+ 1.0000 SO4-- + 1.0000 H+  =  HS- +2.0000 O2  
+        -llnl_gamma           3.5    
+        log_k           -138.3169
+	-delta_H	869.226	kJ/mol	# Calculated enthalpy of reaction	HS-
+#	Enthalpy of formation:	-3.85 kcal/mol
+        -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005
+#       -Range:  0-300
+
+ .5000 O2 + 2.0000 HS-  = S2--  + H2O
+#2 HS- = S2-- +2 H+ + 2e-
+        -llnl_gamma           4.0    
+        log_k           33.2673
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.21730E+02   -0.12307E-02    0.10098E+05   -0.88813E+01    0.15757E+03
+	-mass_balance	S(-2)2
+#       -Range:  0-300
+#	-add_logk	Log_K_O2	0.5
+
+2.0000 H+  + 2.0000 SO3--  = S2O3--  + O2  + H2O
+        -llnl_gamma           4.0    
+        log_k           -40.2906
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O3-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic  0.77679E+02    0.65761E-01   -0.15438E+05   -0.34651E+02   -0.24092E+03
+#       -Range:  0-300
+
+ 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2  =  Ag++ +0.5000 H2O 
+        -llnl_gamma           4.5    
+        log_k           -12.1244
+	-delta_H	22.9764	kJ/mol	# Calculated enthalpy of reaction	Ag+2
+#	Enthalpy of formation:	64.2 kcal/mol
+        -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000
+#       -Range:  0-300
+
+ 1.0000 Am+++ + 0.5000 H2O  =  Am++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -60.3792
+	-delta_H	401.953	kJ/mol	# Calculated enthalpy of reaction	Am+2
+#	Enthalpy of formation:	-354.633 kJ/mol
+        -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002
+#       -Range:  0-300
+
+ 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2  =  Am++++ +0.5000 H2O 
+        -llnl_gamma           5.5    
+        log_k           -22.7073
+	-delta_H	70.8142	kJ/mol	# Calculated enthalpy of reaction	Am+4
+#	Enthalpy of formation:	-406 kJ/mol
+        -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001
+#       -Range:  0-300
+
+ 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2  =  AmO2+ +2.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           -15.384
+	-delta_H	104.345	kJ/mol	# Calculated enthalpy of reaction	AmO2+
+#	Enthalpy of formation:	-804.26 kJ/mol
+        -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005
+#       -Range:  0-300
+
+ 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O  =  AmO2++ +1.0000 H+ 
+        -llnl_gamma           4.5    
+        log_k           -20.862
+	-delta_H	117.959	kJ/mol	# Calculated enthalpy of reaction	AmO2+2
+#	Enthalpy of formation:	-650.76 kJ/mol
+        -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002
+#       -Range:  0-300
+
+ 1.0000 H2AsO4- + 1.0000 H+  =  AsH3 +2.0000 O2  
+        -llnl_gamma           3.0    
+        log_k           -155.1907
+	-delta_H	931.183	kJ/mol	# Calculated enthalpy of reaction	AsH3
+#	Enthalpy of formation:	10.968 kcal/mol
+        -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002
+#       -Range:  0-200
+
+ 2.0000 H+ + 1.0000 Au+ + 0.5000 O2  =  Au+++ +1.0000 H2O 
+        -llnl_gamma           5.0    
+        log_k           -4.3506
+	-delta_H	-73.2911	kJ/mol	# Calculated enthalpy of reaction	Au+3
+#	Enthalpy of formation:	96.93 kcal/mol
+        -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001
+#       -Range:  0-300
+
+ 1.0000 H2O + 1.0000 B(OH)3  =  BH4- +2.0000 O2 +1.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           -237.1028
+	-delta_H	1384.24	kJ/mol	# Calculated enthalpy of reaction	BH4-
+#	Enthalpy of formation:	48.131 kJ/mol
+        -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003
+#       -Range:  0-300
+
+ 3.0000 Br- + 2.0000 H+ + 0.5000 O2  =  Br3- +1.0000 H2O 
+        -llnl_gamma           4.0    
+        log_k           +7.0696
+	-delta_H	-45.6767	kJ/mol	# Calculated enthalpy of reaction	Br3-
+#	Enthalpy of formation:	-31.17 kcal/mol
+        -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000
+#       -Range:  0-300
+
+ 1.0000 Br- + 0.5000 O2  =  BrO-   
+        -llnl_gamma           4.0    
+        log_k           -10.9167
+	-delta_H	33.4302	kJ/mol	# Calculated enthalpy of reaction	BrO-
+#	Enthalpy of formation:	-22.5 kcal/mol
+        -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001
+#       -Range:  0-300
+
+ 1.5000 O2 + 1.0000 Br-  =  BrO3-   
+        -llnl_gamma           3.5    
+        log_k           -17.1443
+	-delta_H	72.6342	kJ/mol	# Calculated enthalpy of reaction	BrO3-
+#	Enthalpy of formation:	-16.03 kcal/mol
+        -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005
+#       -Range:  0-300
+
+ 2.0000 O2 + 1.0000 Br-  =  BrO4-   
+        -llnl_gamma           4.0    
+        log_k           -33.104
+	-delta_H	158.741	kJ/mol	# Calculated enthalpy of reaction	BrO4-
+#	Enthalpy of formation:	3.1 kcal/mol
+        -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002
+#       -Range:  0-300
+
+#  1.0000 NH3 + 1.0000 HCO3-  =  CN- +2.0000 H2O +0.5000 O2 
+#         -llnl_gamma           3.0    
+#         log_k           -56.0505
+# 	-delta_H	344.151	kJ/mol	# Calculated enthalpy of reaction	CN-
+# #	Enthalpy of formation:	36 kcal/mol
+#         -analytic -1.1174e+001 3.8167e-003 -1.7063e+004 4.5349e+000 -2.6625e+002
+# #       -Range:  0-300
+
+Cyanide- = Cyanide-
+	log_k  0
+
+ H+  + HCO3-  + H2O  = CH4 + 2.0000 O2
+        -llnl_gamma           3.0    
+        log_k            -144.1412
+	-delta_H	863.599	kJ/mol	# Calculated enthalpy of reaction	CH4
+#	Enthalpy of formation:	-21.01 kcal/mol
+	-analytic    -0.41698E+02    0.36584E-01   -0.40675E+05    0.93479E+01   -0.63468E+03
+#       -Range:  0-300
+
+ 2.0000 H+  + 2.0000 HCO3-  + H2O  = C2H6  + 3.5000 O2
+        -llnl_gamma           3.0    
+        log_k            -228.6072
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	C2H6
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic    0.10777E+02    0.72105E-01   -0.67489E+05   -0.13915E+02   -0.10531E+04
+#       -Range:  0-300
+
+ 2.000 H+  + 2.0000 HCO3-  = C2H4 + 3.0000 O2
+        -llnl_gamma           3.0    
+        log_k            -254.5034
+	-delta_H	1446.6	kJ/mol	# Calculated enthalpy of reaction	C2H4
+#	Enthalpy of formation:	24.65 kcal/mol
+        -analytic    -0.30329E+02    0.71187E-01   -0.73140E+05    0.00000E+00    0.00000E+00
+#       -Range:  0-300
+
+ 1.0000 HCO3- + 1.0000 H+  =  CO +1.0000 H2O +0.5000 O2 
+        -llnl_gamma           3.0    
+        log_k           -41.7002
+	-delta_H	277.069	kJ/mol	# Calculated enthalpy of reaction	CO
+#	Enthalpy of formation:	-28.91 kcal/mol
+        -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005
+#       -Range:  0-300
+
+ 1.0000 Ce+++ + 0.5000 H2O  =  Ce++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -83.6754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2  =  Ce++++ +0.5000 H2O 
+        -llnl_gamma           5.5    
+        log_k           -7.9154
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Cl- + 0.5000 O2  =  ClO-   
+        -llnl_gamma           4.0    
+        log_k           -15.1014
+	-delta_H	66.0361	kJ/mol	# Calculated enthalpy of reaction	ClO-
+#	Enthalpy of formation:	-25.6 kcal/mol
+        -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001
+#       -Range:  0-300
+
+ 1.0000 O2 + 1.0000 Cl-  =  ClO2-   
+        -llnl_gamma           4.0    
+        log_k           -23.108
+	-delta_H	112.688	kJ/mol	# Calculated enthalpy of reaction	ClO2-
+#	Enthalpy of formation:	-15.9 kcal/mol
+        -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005
+#       -Range:  0-300
+
+ 1.5000 O2 + 1.0000 Cl-  =  ClO3-   
+        -llnl_gamma           3.5    
+        log_k           -17.2608
+	-delta_H	81.3077	kJ/mol	# Calculated enthalpy of reaction	ClO3-
+#	Enthalpy of formation:	-24.85 kcal/mol
+        -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005
+#       -Range:  0-300
+
+ 2.0000 O2 + 1.0000 Cl-  =  ClO4-   
+        -llnl_gamma           3.5    
+        log_k           -15.7091
+	-delta_H	62.0194	kJ/mol	# Calculated enthalpy of reaction	ClO4-
+#	Enthalpy of formation:	-30.91 kcal/mol
+        -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005
+#       -Range:  0-300
+
+ 1.0000 H+ + 1.0000 Co++ + 0.2500 O2  =  Co+++ +0.5000 H2O 
+        -llnl_gamma           5.0    
+        log_k           -11.4845
+	-delta_H	10.3198	kJ/mol	# Calculated enthalpy of reaction	Co+3
+#	Enthalpy of formation:	22 kcal/mol
+        -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001
+#       -Range:  0-300
+
+ 4.0000 H+ + 1.0000 CrO4--  =  Cr++ +2.0000 H2O +1.0000 O2 
+        -llnl_gamma           4.5    
+        log_k           -21.6373
+	-delta_H	153.829	kJ/mol	# Calculated enthalpy of reaction	Cr+2
+#	Enthalpy of formation:	-34.3 kcal/mol
+        -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002
+#       -Range:  0-300
+
+ 5.0000 H+ + 1.0000 CrO4--  =  Cr+++ +2.5000 H2O +0.7500 O2 
+        -llnl_gamma           9.0    
+        log_k           +8.3842
+	-delta_H	-81.0336	kJ/mol	# Calculated enthalpy of reaction	Cr+3
+#	Enthalpy of formation:	-57 kcal/mol
+        -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001
+#       -Range:  0-300
+
+ 0.5000 H2O + 1.0000 CrO4--  =  CrO4--- +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.0    
+        log_k           -19.7709
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO4-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Cu++ + 0.5000 H2O  =  Cu+ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.0    
+        log_k           -18.7704
+	-delta_H	145.877	kJ/mol	# Calculated enthalpy of reaction	Cu+
+#	Enthalpy of formation:	17.132 kcal/mol
+        -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002
+#       -Range:  0-300
+
+ 1.0000 Dy+++ + 0.5000 H2O  =  Dy++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -61.0754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Er+++ + 0.5000 H2O  =  Er++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -70.1754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Eu+++ + 0.5000 H2O  =  Eu++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -27.5115
+	-delta_H	217.708	kJ/mol	# Calculated enthalpy of reaction	Eu+2
+#	Enthalpy of formation:	-126.1 kcal/mol
+        -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005
+#       -Range:  0-300
+
+ 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2  =  Fe+++ +0.5000 H2O 
+        -llnl_gamma           9.0    
+        log_k           +8.4899
+	-delta_H	-97.209	kJ/mol	# Calculated enthalpy of reaction	Fe+3
+#	Enthalpy of formation:	-11.85 kcal/mol
+        -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001
+#       -Range:  0-300
+
+ 1.0000 Gd+++ + 0.5000 H2O  =  Gd++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -84.6754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 H2O  =  H2 +0.5000 O2   
+	-CO2_llnl_gamma
+        log_k           -46.1066
+	-delta_H	275.588	kJ/mol	# Calculated enthalpy of reaction	H2
+#	Enthalpy of formation:	-1 kcal/mol
+        -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005
+#       -Range:  0-300
+
+ 1.0000 H2AsO4-  =  H2AsO3- +0.5000 O2   
+        -llnl_gamma           4.0    
+        log_k           -30.5349
+	-delta_H	188.698	kJ/mol	# Calculated enthalpy of reaction	H2AsO3-
+#	Enthalpy of formation:	-170.84 kcal/mol
+        -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005
+#       -Range:  0-300
+
+ 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2  =  HSO5-  
+        -llnl_gamma           4.0    
+        log_k           -17.2865
+	-delta_H	140.038	kJ/mol	# Calculated enthalpy of reaction	HSO5-
+#	Enthalpy of formation:	-185.38 kcal/mol
+        -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002
+#       -Range:  0-300
+
+ 1.0000 SeO3-- + 1.0000 H+  =  HSe- +1.5000 O2  
+        -llnl_gamma           4.0    
+        log_k           -76.8418
+	-delta_H	506.892	kJ/mol	# Calculated enthalpy of reaction	HSe-
+#	Enthalpy of formation:	3.8 kcal/mol
+        -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005
+#       -Range:  0-300
+
+ 2.0000 Hg++ + 1.0000 H2O  =  Hg2++ +2.0000 H+ +0.5000 O2 
+        -llnl_gamma           4.0    
+        log_k           -12.208
+	-delta_H	106.261	kJ/mol	# Calculated enthalpy of reaction	Hg2+2
+#	Enthalpy of formation:	39.87 kcal/mol
+        -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001
+#       -Range:  0-300
+
+ 1.0000 Ho+++ + 0.5000 H2O  =  Ho++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -67.3754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 3.0000 I- + 2.0000 H+ + 0.5000 O2  =  I3- +1.0000 H2O 
+        -llnl_gamma           4.0    
+        log_k           +24.7278
+	-delta_H	-160.528	kJ/mol	# Calculated enthalpy of reaction	I3-
+#	Enthalpy of formation:	-12.3 kcal/mol
+        -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001
+#       -Range:  0-300
+
+ 1.0000 I- + 0.5000 O2  =  IO-   
+        -llnl_gamma           4.0    
+        log_k           -0.9038
+	-delta_H	-44.5596	kJ/mol	# Calculated enthalpy of reaction	IO-
+#	Enthalpy of formation:	-25.7 kcal/mol
+        -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005
+#       -Range:  0-300
+
+ 1.5000 O2 + 1.0000 I-  =  IO3-   
+        -llnl_gamma           4.0    
+        log_k           +17.6809
+	-delta_H	-146.231	kJ/mol	# Calculated enthalpy of reaction	IO3-
+#	Enthalpy of formation:	-52.9 kcal/mol
+        -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005
+#       -Range:  0-300
+
+ 2.0000 O2 + 1.0000 I-  =  IO4-   
+        -llnl_gamma           3.5    
+        log_k           +6.9621
+	-delta_H	-70.2912	kJ/mol	# Calculated enthalpy of reaction	IO4-
+#	Enthalpy of formation:	-36.2 kcal/mol
+        -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005
+#       -Range:  0-300
+
+ 1.0000 La+++ + 0.5000 H2O  =  La++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -72.4754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2  =  Mn+++ +0.5000 H2O 
+        -llnl_gamma           5.0    
+        log_k           -4.0811
+	-delta_H	-65.2892	kJ/mol	# Calculated enthalpy of reaction	Mn+3
+#	Enthalpy of formation:	-34.895 kcal/mol
+        -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001
+#       -Range:  0-300
+
+ 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++  =  MnO4-- +4.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           -32.4146
+	-delta_H	151.703	kJ/mol	# Calculated enthalpy of reaction	MnO4-2
+#	Enthalpy of formation:	-156 kcal/mol
+        -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002
+#       -Range:  0-300
+
+ 2.0000 NH3 + 1.5000 O2  =  N2 +3.0000 H2O  
+        -llnl_gamma           3.0    
+        log_k           +116.4609
+	-delta_H	-687.08	kJ/mol	# Calculated enthalpy of reaction	N2
+#	Enthalpy of formation:	-2.495 kcal/mol
+        -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005
+#       -Range:  0-300
+
+ 3.0000 NH3 + 2.0000 O2  =  N3- +4.0000 H2O +1.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           +96.9680
+	-delta_H	-599.935	kJ/mol	# Calculated enthalpy of reaction	N3-
+#	Enthalpy of formation:	275.14 kJ/mol
+        -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005
+#       -Range:  0-300
+
+ 1.5000 O2 + 1.0000 NH3  =  NO2- +1.0000 H+ +1.0000 H2O 
+        -llnl_gamma           3.0    
+        log_k           +46.8653
+	-delta_H	-290.901	kJ/mol	# Calculated enthalpy of reaction	NO2-
+#	Enthalpy of formation:	-25 kcal/mol
+        -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004
+#       -Range:  0-300
+
+ 2.0000 O2 + 1.0000 NH3  =  NO3- +1.0000 H+ +1.0000 H2O 
+        -llnl_gamma           3.0    
+        log_k           +62.1001
+	-delta_H	-387.045	kJ/mol	# Calculated enthalpy of reaction	NO3-
+#	Enthalpy of formation:	-49.429 kcal/mol
+        -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005
+#       -Range:  0-300
+
+ 1.0000 Nd+++ + 0.5000 H2O  =  Nd++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -64.3754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Np++++ + 0.5000 H2O  =  Np+++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           5.0    
+        log_k           -19.0131
+	-delta_H	168.787	kJ/mol	# Calculated enthalpy of reaction	Np+3
+#	Enthalpy of formation:	-527.1 kJ/mol
+        -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002
+#       -Range:  0-300
+
+ 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2  =  NpO2+ +3.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           +10.5928
+	-delta_H	9.80089	kJ/mol	# Calculated enthalpy of reaction	NpO2+
+#	Enthalpy of formation:	-977.991 kJ/mol
+        -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005
+#       -Range:  0-300
+
+ 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2  =  NpO2++ +2.0000 H+ 
+        -llnl_gamma           4.5    
+        log_k           +11.2107
+	-delta_H	-12.5719	kJ/mol	# Calculated enthalpy of reaction	NpO2+2
+#	Enthalpy of formation:	-860.478 kJ/mol
+        -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005
+#       -Range:  0-300
+
+ 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2  =  Pb++++ +1.0000 H2O 
+        -llnl_gamma           5.5    
+        log_k           -14.1802
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Pm+++ + 0.5000 H2O  =  Pm++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -65.2754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Pr+++ + 0.5000 H2O  =  Pr++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -79.9754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 Pu++++ + 0.5000 H2O  =  Pu+++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           5.0    
+        log_k           -4.5071
+	-delta_H	84.2268	kJ/mol	# Calculated enthalpy of reaction	Pu+3
+#	Enthalpy of formation:	-591.552 kJ/mol
+        -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004
+#       -Range:  0-300
+
+ 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2  =  PuO2+ +3.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           +2.9369
+	-delta_H	53.5009	kJ/mol	# Calculated enthalpy of reaction	PuO2+
+#	Enthalpy of formation:	-914.183 kJ/mol
+        -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005
+#       -Range:  0-300
+
+ 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2  =  PuO2++ +2.0000 H+ 
+        -llnl_gamma           4.5    
+        log_k           +8.1273
+	-delta_H	6.22013	kJ/mol	# Calculated enthalpy of reaction	PuO2+2
+#	Enthalpy of formation:	-821.578 kJ/mol
+        -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005
+#       -Range:  0-300
+
+ 4.0000 H+ + 1.0000 RuO4--  =  Ru(OH)2++ +1.0000 H2O +0.5000 O2 
+        -llnl_gamma           4.5    
+        log_k           +25.2470
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2 
+        -llnl_gamma           4.5    
+        log_k           +0.1610
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 5.0000 H+ + 1.0000 RuO4--  =  Ru+++ +2.5000 H2O +0.7500 O2 
+        -llnl_gamma           5.0    
+        log_k           +17.6149
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2  =  RuO4 +1.0000 H2O 
+        -llnl_gamma           3.0    
+        log_k           +16.2672
+	-delta_H	-60.8385	kJ/mol	# Calculated enthalpy of reaction	RuO4
+#	Enthalpy of formation:	-238.142 kJ/mol
+        -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001
+#       -Range:  0-200
+
+ 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2  =  RuO4- +0.5000 H2O 
+        -llnl_gamma           4.0    
+        log_k           +11.6024
+	-delta_H	-16.1998	kJ/mol	# Calculated enthalpy of reaction	RuO4-
+#	Enthalpy of formation:	-333.389 kJ/mol
+        -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001
+#       -Range:  0-300
+
+ 2.0000 H+  + 2.0000 SO3--  = S2O4--  + .500 O2  + H2O
+        -llnl_gamma           5.0    
+#        log_k           -25.2075
+        log_k           -25.2076
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O4-2
+#	Enthalpy of formation:	-0 kcal/mol
+#        -analytic  -0.15158E+05   -0.31356E+01    0.47072E+06    0.58544E+04    0.73497E+04
+	-analytic	-2.3172e2	2.0393e-3	-7.1011e0	8.3239e1	9.4155e-1
+#	changed 3/23/04, corrected to supcrt temperature dependence, GMA
+#       -Range:  0-300
+
+# 2.0000 SO3--  + .500 O2  + 2.0000 H+  = S2O6--  + H2O
+#  H2O = .5 O2 + 2H+ + 2e- 
+2SO3-- = S2O6-- + 2e-
+        -llnl_gamma           4.0    
+        log_k           41.8289
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O6-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.14458E+03    0.61449E-01    0.71877E+04   -0.58657E+02    0.11211E+03
+#       -Range:  0-300
+	-add_logk  Log_K_O2	0.5
+
+
+ 2.0000 SO3--  + 1.500 O2  + 2.0000 H+  = S2O8--  + H2O
+        -llnl_gamma           4.0    
+        log_k           70.7489
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O8-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.18394E+03    0.60414E-01    0.13864E+05   -0.71804E+02    0.21628E+03
+#       -Range:  0-300
+
+O2 + H+ + 3.0000 HS-  = S3--  + 2.0000 H2O
+# 2H2O = O2 + 4H+ + 4e-
+#3HS- = S3-- + 3H+ + 4e-
+        -llnl_gamma           4.0    
+        log_k           79.3915
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -0.51626E+02    0.70208E-02    0.31797E+05    0.11927E+02   -0.64249E+06
+	-mass_balance	S(-2)3
+#       -Range:  0-300
+#	-add_logk  Log_K_O2	1.0
+
+# 3.0000 SO3--  + 4.0000 H+  = S3O6-- + .500 O2 + 2.0000 H2O
+# .5 O2 + 2H+ + 2e- = H2O
+3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O
+        -llnl_gamma           4.0    
+        log_k           -6.2316
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3O6-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.23664E+03    0.12702E+00   -0.10110E+05   -0.99715E+02   -0.15783E+03
+#       -Range:  0-300
+	-add_logk	Log_K_O2	-0.5
+
+1.5000 O2 + 2.0000 H+ + 4.0000 HS-  = S4--  + 3.0000 H2O
+#4 HS- = S4-- + 4H+ + 6e-
+        -llnl_gamma           4.0    
+        log_k           125.2958
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.20875E+03    0.58133E-01    0.33278E+05   -0.85833E+02    0.51921E+03
+	-mass_balance	S(-2)4
+#       -Range:  0-300
+#	-add_logk	Log_K_O2	1.5
+
+# 4.0000 SO3-- + 6.0000 H+  = S4O6-- + 1.500 O2 + 3.0000 H2O
+4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O
+        -llnl_gamma           4.0    
+        log_k           -38.3859
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4O6-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.32239E+03    0.19555E+00   -0.23617E+05   -0.13729E+03   -0.36862E+03
+#       -Range:  0-300
+	-add_logk	Log_K_O2	-1.5
+
+2.0000 O2 + 3.0000 H+  + 5.0000 HS-  = S5--  + 4.0000 H2O
+#5 HS- = S5-- + 5H+ + 8e-
+        -llnl_gamma           4.0    
+        log_k           170.9802
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.30329E+03    0.88033E-01    0.44739E+05   -0.12471E+03    0.69803E+03
+	-mass_balance	S(-2)5
+#       -Range:  0-300
+#	-add_logk	Log_K_O2	2
+
+# 5.0000 SO3-- + 8.0000 H+  = S5O6-- + 2.5000 O2 + 4.0000 H2O
+# 2.5O2 + 10 H+ + 10e- = 5H2O
+5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O
+        -llnl_gamma           4.0    
+        log_k           -99.4206
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5O6-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.42074E+03    0.25833E+00   -0.43878E+05   -0.18178E+03   -0.68480E+03
+#       -Range:  0-300
+	-add_logk	Log_K_O2	-2.5
+
+# 1.0000 H+  + HCO3-  + HS-  + NH3 = SCN-  + 3.0000 H2O
+#        -llnl_gamma           3.5    
+#        log_k            3.0070
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SCN-
+##	Enthalpy of formation:	-0 kcal/mol
+#        -analytic  0.16539E+03    0.49623E-01   -0.44624E+04   -0.65544E+02   -0.69680E+02
+##       -Range:  0-300
+
+Thiocyanate- = Thiocyanate-
+	log_k  0.0
+
+ 1.0000 SO4--  =  SO3-- +0.5000 O2   
+        -llnl_gamma           4.5    
+        log_k           -46.6244
+	-delta_H	267.985	kJ/mol	# Calculated enthalpy of reaction	SO3-2
+#	Enthalpy of formation:	-151.9 kcal/mol
+        -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002
+#       -Range:  0-300
+
+1.0000 HSe- =  Se-- + 1.0000 H+    
+        -llnl_gamma        4.0      
+        log_k           -14.9534
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Se-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 1.0244e+002    3.1346e-002   -5.4190e+003   -4.3871e+001   -8.4589e+001
+#       -Range:  0-300
+
+ 1.0000 SeO3-- + 0.5000 O2  =  SeO4--   
+        -llnl_gamma           4.0    
+        log_k           +13.9836
+	-delta_H	-83.8892	kJ/mol	# Calculated enthalpy of reaction	SeO4-2
+#	Enthalpy of formation:	-143.2 kcal/mol
+        -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005
+#       -Range:  0-300
+
+ 1.0000 Sm+++ + 0.5000 H2O  =  Sm++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -47.9624
+	-delta_H	326.911	kJ/mol	# Calculated enthalpy of reaction	Sm+2
+#	Enthalpy of formation:	-120.5 kcal/mol
+        -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004
+#       -Range:  0-300
+
+ 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2  =  Sn++++ +1.0000 H2O 
+        -llnl_gamma          11.0    
+        log_k           +37.7020
+	-delta_H	-240.739	kJ/mol	# Calculated enthalpy of reaction	Sn+4
+#	Enthalpy of formation:	7.229 kcal/mol
+        -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002
+#       -Range:  0-300
+
+ 1.0000 Tb+++ + 0.5000 H2O  =  Tb++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -78.7754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 4.0000 H+ + 1.0000 TcO4-  =  Tc+++ +2.0000 H2O +1.0000 O2 
+        -llnl_gamma           5.0    
+        log_k           -47.614
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 3.0000 H+ + 1.0000 TcO4-  =  TcO++ +1.5000 H2O +0.7500 O2 
+        -llnl_gamma           4.5    
+        log_k           -31.5059
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 TcO4- + 0.5000 H2O  =  TcO4-- +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.0    
+        log_k           -31.8197
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 TcO4- + 1.0000 H2O  =  TcO4--- +2.0000 H+ +0.5000 O2 
+        -llnl_gamma           4.0    
+        log_k           -63.2889
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2  =  Tl+++ +1.0000 H2O 
+        -llnl_gamma           5.0    
+        log_k           -0.2751
+	-delta_H	-88.479	kJ/mol	# Calculated enthalpy of reaction	Tl+3
+#	Enthalpy of formation:	47 kcal/mol
+        -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001
+#       -Range:  0-300
+
+ 1.0000 Tm+++ + 0.5000 H2O  =  Tm++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -58.3754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 1.0000 UO2++ + 1.0000 H+  =  U+++ +0.7500 O2 +0.5000 H2O 
+        -llnl_gamma           5.0    
+        log_k           -64.8028
+	-delta_H	377.881	kJ/mol	# Calculated enthalpy of reaction	U+3
+#	Enthalpy of formation:	-489.1 kJ/mol
+        -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005
+#       -Range:  0-300
+
+ 2.0000 H+ + 1.0000 UO2++  =  U++++ +1.0000 H2O +0.5000 O2 
+        -llnl_gamma           5.5    
+        log_k           -33.9491
+	-delta_H	135.895	kJ/mol	# Calculated enthalpy of reaction	U+4
+#	Enthalpy of formation:	-591.2 kJ/mol
+        -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005
+#       -Range:  0-300
+
+ 1.0000 UO2++ + 0.5000 H2O  =  UO2+ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.0    
+        log_k           -20.0169
+	-delta_H	133.759	kJ/mol	# Calculated enthalpy of reaction	UO2+
+#	Enthalpy of formation:	-1025.13 kJ/mol
+        -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002
+#       -Range:  0-300
+
+ 1.0000 VO++ + 1.0000 H+  =  V+++ +0.5000 H2O +0.2500 O2 
+        -llnl_gamma           5.0    
+        log_k           -15.7191
+	-delta_H	79.6069	kJ/mol	# Calculated enthalpy of reaction	V+3
+#	Enthalpy of formation:	-62.39 kcal/mol
+        -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001
+#       -Range:  0-300
+
+ 1.0000 VO++ + 0.5000 H2O + 0.2500 O2  =  VO2+ +1.0000 H+ 
+        -llnl_gamma           4.0    
+        log_k           +4.5774
+	-delta_H	-17.2234	kJ/mol	# Calculated enthalpy of reaction	VO2+
+#	Enthalpy of formation:	-155.3 kcal/mol
+        -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001
+#       -Range:  0-300
+
+ 1.0000 VO2+ + 2.0000 H2O =  VO4--- +4.0000 H+  
+        -llnl_gamma        4.0      
+        log_k            -28.4475
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO4-3
+#	Enthalpy of formation:	-0 kcal/mol
+
+ 1.0000 Yb+++ + 0.5000 H2O  =  Yb++ +1.0000 H+ +0.2500 O2 
+        -llnl_gamma           4.5    
+        log_k           -39.4595
+	-delta_H	280.05	kJ/mol	# Calculated enthalpy of reaction	Yb+2
+#	Enthalpy of formation:	-126.8 kcal/mol
+        -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004
+#       -Range:  0-300
+
+ 2.0000 H+ + 1.0000 Zr(OH)2++  =  Zr++++ +2.0000 H2O  
+        -llnl_gamma          11.0    
+        log_k           +0.2385
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr+4
+#	Enthalpy of formation:	-0 kcal/mol
+
+4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3  =  (NH4)2Sb2S4 +6.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +67.6490
+	-delta_H	-424.665	kJ/mol	# Calculated enthalpy of reaction	(NH4)2Sb2S4
+#	Enthalpy of formation:	-484.321 kJ/mol
+        -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002
+#       -Range:  0-200
+
+2.0000 NpO2++ + 2.0000 H2O  =  (NpO2)2(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -6.4
+	-delta_H	45.4397	kJ/mol	# Calculated enthalpy of reaction	(NpO2)2(OH)2+2
+#	Enthalpy of formation:	-537.092 kcal/mol
+        -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001
+#       -Range: 25-150
+
+5.0000 H2O + 3.0000 NpO2++  =  (NpO2)3(OH)5+ +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.5
+	-delta_H	112.322	kJ/mol	# Calculated enthalpy of reaction	(NpO2)3(OH)5+
+#	Enthalpy of formation:	-931.717 kcal/mol
+        -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002
+#       -Range: 25-150
+
+2.0000 PuO2++ + 2.0000 H2O  =  (PuO2)2(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -8.2626
+	-delta_H	57.8597	kJ/mol	# Calculated enthalpy of reaction	(PuO2)2(OH)2+2
+#	Enthalpy of formation:	-2156.97 kJ/mol
+        -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001
+#       -Range:  0-300
+
+5.0000 H2O + 3.0000 PuO2++  =  (PuO2)3(OH)5+ +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -21.655
+	-delta_H	139.617	kJ/mol	# Calculated enthalpy of reaction	(PuO2)3(OH)5+
+#	Enthalpy of formation:	-3754.31 kJ/mol
+        -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002
+#       -Range:  0-300
+
+4.0000 H2O + 2.0000 TcO++  =  (TcO(OH)2)2 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.1271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(TcO(OH)2)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3-  =  (UO2)11(CO3)6(OH)12-2 +18.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -25.7347
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)11(CO3)6(OH)12-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 UO2++ + 2.0000 H2O  =  (UO2)2(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -5.6346
+	-delta_H	37.6127	kJ/mol	# Calculated enthalpy of reaction	(UO2)2(OH)2+2
+#	Enthalpy of formation:	-2572.06 kJ/mol
+        -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001
+#       -Range:  0-300
+
+3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3-  =  (UO2)2CO3(OH)3- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.2229
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2CO3(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 UO2++ + 1.0000 H2O  =  (UO2)2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -2.7072
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+6.0000 HCO3- + 3.0000 UO2++  =  (UO2)3(CO3)6-6 +6.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.0601
+	-delta_H	25.5204	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(CO3)6-6
+#	Enthalpy of formation:	-7171.08 kJ/mol
+        -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002
+#       -Range:  0-300
+
+4.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)4++ +4.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -11.929
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)5+ +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.5862
+	-delta_H	97.1056	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(OH)5+
+#	Enthalpy of formation:	-4389.09 kJ/mol
+        -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002
+#       -Range:  0-300
+
+4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3-  =  (UO2)3(OH)5CO2+ +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.6194
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)5CO2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+7.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)7- +7.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -31.0508
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)7-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3-  =  (UO2)3O(OH)2(HCO3)+ +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.7129
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3O(OH)2(HCO3)+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+7.0000 H2O + 4.0000 UO2++  =  (UO2)4(OH)7+ +7.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -21.9508
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)4(OH)7+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 VO++ + 2.0000 H2O  =  (VO)2(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -6.67
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)2(OH)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+CH3COO- + H+ = CH3COOH 
+         -llnl_gamma         4.5         
+         log_k        4.7572
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CH3COOH
+#	Enthalpy of formation:	-0 kcal/mol
+         -analytic    0.96597E+02   0.34535E-01    -0.19753E+04    -0.38593E+02    -0.30850E+02
+#        -Range:  0-300
+
+H+ + 2.000 HCO3- = CH3COO- + 2.0000 O2
+	-llnl_gamma         4.5
+	log_k	-146.7494
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CH3COO-
+#	Enthalpy of formation:	-0 kcal/mol
+	-analytic	-1.3108E+03	-2.3248E-01	-4.5380E+01	4.9843E+02	6.5945E-01
+#       -Range:  0-300	
+
+2.0000 CH3COOH + 1.0000 Ag+  =  Ag(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.8716
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag(Acetate)2-
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Ag+  =  Ag(CO3)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -18.5062
+	-delta_H	1.34306	kJ/mol	# Calculated enthalpy of reaction	Ag(CO3)2-3
+#	Enthalpy of formation:	-304.2 kcal/mol
+        -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001
+#       -Range:  0-300
+
+1.0000 Ag+ + 1.0000 CH3COOH  =  AgCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.0264
+	-delta_H	-3.4518	kJ/mol	# Calculated enthalpy of reaction	AgAcetate
+#	Enthalpy of formation:	-91.65 kcal/mol
+        -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Ag+  =  AgCO3- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.6416
+	-delta_H	-8.27177	kJ/mol	# Calculated enthalpy of reaction	AgCO3-
+#	Enthalpy of formation:	-141.6 kcal/mol
+        -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000
+#       -Range:  0-300
+
+1.0000 Cl- + 1.0000 Ag+  =  AgCl
+        -llnl_gamma           3.0    
+        log_k           +3.2971
+	-delta_H	-15.1126	kJ/mol	# Calculated enthalpy of reaction	AgCl
+#	Enthalpy of formation:	-18.27 kcal/mol
+        -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Ag+  =  AgCl2-
+        -llnl_gamma           4.0    
+        log_k           +5.2989
+	-delta_H	-27.3592	kJ/mol	# Calculated enthalpy of reaction	AgCl2-
+#	Enthalpy of formation:	-61.13 kcal/mol
+        -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Ag+  =  AgCl3--
+        -llnl_gamma           4.0    
+        log_k           +5.1310
+	-delta_H	-47.7645	kJ/mol	# Calculated enthalpy of reaction	AgCl3-2
+#	Enthalpy of formation:	-105.94 kcal/mol
+        -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Ag+  =  AgCl4---
+        -llnl_gamma           4.0    
+        log_k           +3.8050
+	-delta_H	-32.4804	kJ/mol	# Calculated enthalpy of reaction	AgCl4-3
+#	Enthalpy of formation:	-142.22 kcal/mol
+        -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Ag+  =  AgF
+        -llnl_gamma           3.0    
+        log_k           -0.1668
+	-delta_H	-9.298	kJ/mol	# Calculated enthalpy of reaction	AgF
+#	Enthalpy of formation:	-238.895 kJ/mol
+        -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001
+#       -Range:  0-200
+
+1.0000 NO3- + 1.0000 Ag+  =  AgNO3
+        -llnl_gamma           3.0    
+        log_k           -0.1979
+	-delta_H	4.45178	kJ/mol	# Calculated enthalpy of reaction	AgNO3
+#	Enthalpy of formation:	-23.09 kcal/mol
+        -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Al+++  =  Al(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.595
+	-delta_H	-46.8566	kJ/mol	# Calculated enthalpy of reaction	Al(Acetate)2+
+#	Enthalpy of formation:	-372.08 kcal/mol
+        -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Al+++  =  Al(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.5945
+	-delta_H	98.2822	kJ/mol	# Calculated enthalpy of reaction	Al(OH)2+
+#	Enthalpy of formation:	-241.825 kcal/mol
+        -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001
+#       -Range:  0-300
+
+2.0000 SO4-- + 1.0000 Al+++  =  Al(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +4.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+28.0000 H2O + 13.0000 Al+++  =  Al13O4(OH)24+7 +32.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -98.73
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al13O4(OH)24+7
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 2.0000 Al+++  =  Al2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -7.6902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 3.0000 Al+++  =  Al3(OH)4+5 +4.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -13.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al3(OH)4+5
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Al+++ + 1.0000 CH3COOH  =  AlCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.6923
+	-delta_H	-18.1962	kJ/mol	# Calculated enthalpy of reaction	AlAcetate+2
+#	Enthalpy of formation:	-249.13 kcal/mol
+        -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Al+++  =  AlF++
+        -llnl_gamma           4.5    
+        log_k           +7.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Al+++  =  AlF2+
+        -llnl_gamma           4.0    
+        log_k           +12.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 F- + 1.0000 Al+++  =  AlF3
+        -llnl_gamma           3.0    
+        log_k           +16.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 F- + 1.0000 Al+++  =  AlF4-
+        -llnl_gamma           4.0    
+        log_k           +19.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++  =  AlH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +3.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlH2PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Al+++  =  AlHPO4+
+        -llnl_gamma           4.0    
+        log_k           +7.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Al+++  =  AlO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -22.8833
+	-delta_H	180.899	kJ/mol	# Calculated enthalpy of reaction	AlO2-
+#	Enthalpy of formation:	-222.079 kcal/mol
+        -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Al+++  =  AlOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -4.9571
+	-delta_H	49.798	kJ/mol	# Calculated enthalpy of reaction	AlOH+2
+#	Enthalpy of formation:	-185.096 kcal/mol
+        -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 Al+++  =  AlSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.0100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.3868
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)3--- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.8302
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)3-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 HCO3- + 1.0000 Am++++  =  Am(CO3)5-6 +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -12.409
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)5-6
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Am+++  =  Am(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -14.1145
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Am+++  =  Am(OH)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.7218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Am+++  =  Am(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.2407
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Am+++  =  AmCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.5434
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cl- + 1.0000 Am+++  =  AmCl++
+        -llnl_gamma           4.5    
+        log_k           +1.0374
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCl+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 F- + 1.0000 Am+++  =  AmF++
+        -llnl_gamma           4.5    
+        log_k           +3.3601
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Am+++  =  AmF2+
+        -llnl_gamma           4.0    
+        log_k           +5.7204
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++  =  AmH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +11.4119
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmH2PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 N3- + 1.0000 Am+++  =  AmN3++
+        -llnl_gamma           4.5    
+        log_k           +1.6699
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmN3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Am+++  =  AmNO3++
+        -llnl_gamma           4.5    
+        log_k           +1.3104
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmNO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Am+++  =  AmOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -6.4072
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Am+++  =  AmSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.7703
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2AsO3- + 1.0000 H+  =  As(OH)3
+        -llnl_gamma           3.0    
+        log_k           +9.2048
+	-delta_H	-27.4054	kJ/mol	# Calculated enthalpy of reaction	As(OH)3
+#	Enthalpy of formation:	-742.2 kJ/mol
+        -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001
+#       -Range:  0-200
+
+1.0000 H2AsO3- = AsO2- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k            0.0111 
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO2-
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -2.1509e+001   -1.7680e-002   -1.9261e+001    1.0841e+001   -2.9404e-001
+#       -Range:  0-300
+
+1.0000 H2AsO3-  =  AsO2OH-- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.0171
+	-delta_H	25.514	kJ/mol	# Calculated enthalpy of reaction	AsO2OH-2
+#	Enthalpy of formation:	-164.742 kcal/mol
+        -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002
+#       -Range:  0-300
+
+1.0000 H2AsO4- + 1.0000 F-  =  AsO3F-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +40.2451
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO3F-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2AsO4-  =  AsO4--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -18.3604
+	-delta_H	21.4198	kJ/mol	# Calculated enthalpy of reaction	AsO4-3
+#	Enthalpy of formation:	-888.14 kJ/mol
+        -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Au+  =  Au(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.0013
+	-delta_H	-8.91192	kJ/mol	# Calculated enthalpy of reaction	Au(CH3COO)2-
+#	Enthalpy of formation:	-186.75 kcal/mol
+        -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002
+#       -Range:  0-300
+
+1.0000 Au+ + 1.0000 CH3COOH  =  AuCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.3174
+	-delta_H	0.87864	kJ/mol	# Calculated enthalpy of reaction	AuCH3COO
+#	Enthalpy of formation:	-68.31 kcal/mol
+        -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005
+#       -Range:  0-300
+
+2.0000 B(OH)3  =  B2O(OH)5- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -18.6851
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	B2O(OH)5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3  =  BF2(OH)2- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +6.6174
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BF2(OH)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3  =  BF3OH- +2.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +13.1908
+	-delta_H	-178.577	kJ/mol	# Calculated enthalpy of reaction	BF3OH-
+#	Enthalpy of formation:	-403.317 kcal/mol
+        -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002
+#       -Range:  0-300
+
+4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3  =  BF4- +3.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +18.0049
+	-delta_H	-16.4473	kJ/mol	# Calculated enthalpy of reaction	BF4-
+#	Enthalpy of formation:	-376.4 kcal/mol
+        -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001
+#       -Range:  0-300
+
+1.0000 B(OH)3  =  BO2- +1.0000 H+ +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           -9.2449
+	-delta_H	16.3302	kJ/mol	# Calculated enthalpy of reaction	BO2-
+#	Enthalpy of formation:	-184.6 kcal/mol
+        -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Ba++  =  Ba(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.0118
+	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Ba(CH3COO)2
+#	Enthalpy of formation:	-358.01 kcal/mol
+        -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005
+#       -Range:  0-300
+
+1.0000 O_phthalate-2 + 1.0000 Ba++  =  Ba(O_phthalate)
+        -llnl_gamma           3.0    
+        log_k           +2.3300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ba(O_phthalate)
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3  =  BaB(OH)4+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.8012
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ba++ + 1.0000 CH3COOH  =  BaCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.7677
+	-delta_H	7.322	kJ/mol	# Calculated enthalpy of reaction	BaCH3COO+
+#	Enthalpy of formation:	-242.85 kcal/mol
+        -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Ba++  =  BaCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.6834
+	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
+#	Enthalpy of formation:	-285.85 kcal/mol
+        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
+#       -Range:  0-300
+
+1.0000 Cl- + 1.0000 Ba++  =  BaCl+
+        -llnl_gamma           4.0    
+        log_k           -0.4977
+	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
+#	Enthalpy of formation:	-165.77 kcal/mol
+        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Ba++  =  BaF+
+        -llnl_gamma           4.0    
+        log_k           -0.1833
+	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
+#	Enthalpy of formation:	-206.51 kcal/mol
+        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
+#       -Range:  0-300
+
+1.0000 NO3- + 1.0000 Ba++  =  BaNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Ba++  =  BaOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -13.47
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Be++  =  Be(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.8023
+	-delta_H	-52.4255	kJ/mol	# Calculated enthalpy of reaction	Be(CH3COO)2
+#	Enthalpy of formation:	-336.23 kcal/mol
+        -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005
+#       -Range:  0-300
+
+1.0000 Be++ + 1.0000 CH3COOH  =  BeCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.1079
+	-delta_H	-22.761	kJ/mol	# Calculated enthalpy of reaction	BeCH3COO+
+#	Enthalpy of formation:	-213.04 kcal/mol
+        -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Be++  =  BeO2-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -32.161
+	-delta_H	163.737	kJ/mol	# Calculated enthalpy of reaction	BeO2-2
+#	Enthalpy of formation:	-189 kcal/mol
+        -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002
+#       -Range:  0-300
+
+2.0000 H+ + 2.0000 Br- + 0.5000 O2  =  Br2 +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +5.6834
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Br2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 H+  =  CO2 +1.0000 H2O
+        -CO2_llnl_gamma
+        log_k           +6.3447
+	-delta_H	-9.7027	kJ/mol	# Calculated enthalpy of reaction	CO2
+#	Enthalpy of formation:	-98.9 kcal/mol
+        -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001
+#       -Range:  0-300
+
+1.0000 HCO3-  =  CO3-- +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -10.3288
+	-delta_H	14.6984	kJ/mol	# Calculated enthalpy of reaction	CO3-2
+#	Enthalpy of formation:	-161.385 kcal/mol
+        -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Ca++  =  Ca(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.3814
+	-delta_H	-2.7196	kJ/mol	# Calculated enthalpy of reaction	Ca(CH3COO)2
+#	Enthalpy of formation:	-362.65 kcal/mol
+        -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005
+#       -Range:  0-300
+
+1.0000 O_phthalate-2 + 1.0000 Ca++  =  Ca(O_phthalate)
+        -llnl_gamma           3.0    
+        log_k           +2.4200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca(O_phthalate)
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3  =  CaB(OH)4+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.4222
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaB(OH)4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ca++ + 1.0000 CH3COOH  =  CaCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.8263
+	-delta_H	1.17152	kJ/mol	# Calculated enthalpy of reaction	CaCH3COO+
+#	Enthalpy of formation:	-245.62 kcal/mol
+        -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Ca++  =  CaCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.0017
+	-delta_H	30.5767	kJ/mol	# Calculated enthalpy of reaction	CaCO3
+#	Enthalpy of formation:	-287.39 kcal/mol
+        -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002
+#       -Range:  0-300
+
+1.0000 Cl- + 1.0000 Ca++  =  CaCl+
+        -llnl_gamma           4.0    
+        log_k           -0.6956
+	-delta_H	2.02087	kJ/mol	# Calculated enthalpy of reaction	CaCl+
+#	Enthalpy of formation:	-169.25 kcal/mol
+        -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Ca++  =  CaCl2
+        -llnl_gamma           3.0    
+        log_k           -0.6436
+	-delta_H	-5.8325	kJ/mol	# Calculated enthalpy of reaction	CaCl2
+#	Enthalpy of formation:	-211.06 kcal/mol
+        -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Ca++  =  CaF+
+        -llnl_gamma           4.0    
+        log_k           +0.6817
+	-delta_H	5.6484	kJ/mol	# Calculated enthalpy of reaction	CaF+
+#	Enthalpy of formation:	-208.6 kcal/mol
+        -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++  =  CaH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +1.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Ca++  =  CaHCO3+
+        -llnl_gamma           4.0    
+        log_k           +1.0467
+	-delta_H	1.45603	kJ/mol	# Calculated enthalpy of reaction	CaHCO3+
+#	Enthalpy of formation:	-294.35 kcal/mol
+        -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Ca++  =  CaHPO4
+        -llnl_gamma           3.0    
+        log_k           +2.7400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Ca++  =  CaNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Ca++  =  CaOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -12.85
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ca++  =  CaP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +3.0537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Ca++  =  CaPO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.8618
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ca++  =  CaSO4
+        -llnl_gamma           3.0    
+        log_k           +2.1111
+	-delta_H	5.4392	kJ/mol	# Calculated enthalpy of reaction	CaSO4
+#	Enthalpy of formation:	-345.9 kcal/mol
+        -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.3625
+	-delta_H	-17.4891	kJ/mol	# Calculated enthalpy of reaction	Cd(CH3COO)2
+#	Enthalpy of formation:	-254.52 kcal/mol
+        -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.8558
+	-delta_H	-40.0409	kJ/mol	# Calculated enthalpy of reaction	Cd(CH3COO)3-
+#	Enthalpy of formation:	-376.01 kcal/mol
+        -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006
+#       -Range:  0-300
+
+4.0000 CH3COOH + 1.0000 Cd++  =  Cd(CH3COO)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.9163
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(CH3COO)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+ 2.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)2
+         -llnl_gamma           3.0    
+         log_k           +10.3551
+ 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)2
+ #	Enthalpy of formation:	-0 kcal/mol
+  
+ 3.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)3-
+         -llnl_gamma           4.0    
+         log_k           +14.8191
+ 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)3-
+ #	Enthalpy of formation:	-0 kcal/mol
+  
+ 4.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)4--
+         -llnl_gamma           4.0    
+         log_k           +18.2670
+ 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)4-2
+ #	Enthalpy of formation:	-0 kcal/mol
+ 
+
+2.0000 HCO3- + 1.0000 Cd++  =  Cd(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -14.2576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 N3- + 1.0000 Cd++  =  Cd(N3)2
+        -llnl_gamma           0.0    
+        log_k           +2.4606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 N3- + 1.0000 Cd++  =  Cd(N3)3-
+        -llnl_gamma           4.0    
+        log_k           +3.1263
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 N3- + 1.0000 Cd++  =  Cd(N3)4--
+        -llnl_gamma           4.0    
+        log_k           +3.4942
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)++
+        -llnl_gamma           4.5    
+        log_k           +2.5295
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(NH3)+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)2++
+        -llnl_gamma           4.5    
+        log_k           +4.8760
+	-delta_H	-27.6533	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)2+2
+#	Enthalpy of formation:	-266.225 kJ/mol
+        -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001
+#       -Range:  0-300
+
+4.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)4++
+        -llnl_gamma           4.5    
+        log_k           +7.2914
+	-delta_H	-49.0684	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)4+2
+#	Enthalpy of formation:	-450.314 kJ/mol
+        -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Cd++  =  Cd(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -20.3402
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Cd++  =  Cd(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -33.2852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Cd++  =  Cd(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -47.3303
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++  =  Cd(OH)Cl +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.4328
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)Cl
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)2
+        -llnl_gamma           3.0    
+        log_k           +1.8649
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)3-
+        -llnl_gamma           4.0    
+        log_k           +1.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Cd++ + 1.0000 H2O  =  Cd2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -9.3851
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 4.0000 Cd++  =  Cd4(OH)4++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -362.1263
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cd++ + 1.0000 Br-  =  CdBr+
+        -llnl_gamma           4.0    
+        log_k           +2.1424
+	-delta_H	-3.35588	kJ/mol	# Calculated enthalpy of reaction	CdBr+
+#	Enthalpy of formation:	-200.757 kJ/mol
+        -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001
+#       -Range:  0-300
+
+2.0000 Br- + 1.0000 Cd++  =  CdBr2
+        -llnl_gamma           3.0    
+        log_k           +2.8614
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Br- + 1.0000 Cd++  =  CdBr3-
+        -llnl_gamma           4.0    
+        log_k           +3.0968
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cd++ + 1.0000 CH3COOH  =  CdCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.8294
+	-delta_H	-7.02912	kJ/mol	# Calculated enthalpy of reaction	CdCH3COO+
+#	Enthalpy of formation:	-135.92 kcal/mol
+        -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005
+#       -Range:  0-300
+
+1.0000 Cd++ + 1.0000 Cyanide-  =  CdCyanide+
+        -llnl_gamma           4.0    
+        log_k           +5.3129
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCyanide+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Cd++  =  CdCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.3288
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cl- + 1.0000 Cd++  =  CdCl+
+        -llnl_gamma           4.0    
+        log_k           +2.7059
+	-delta_H	2.33843	kJ/mol	# Calculated enthalpy of reaction	CdCl+
+#	Enthalpy of formation:	-240.639 kJ/mol
+2.0000 Cl- + 1.0000 Cd++  =  CdCl2
+        -llnl_gamma           3.0    
+        log_k           +3.3384
+	-delta_H	5.1261	kJ/mol	# Calculated enthalpy of reaction	CdCl2
+#	Enthalpy of formation:	-404.931 kJ/mol
+        -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001
+#       -Range:  0-200
+
+3.0000 Cl- + 1.0000 Cd++  =  CdCl3-
+        -llnl_gamma           4.0    
+        log_k           +2.7112
+	-delta_H	15.9388	kJ/mol	# Calculated enthalpy of reaction	CdCl3-
+#	Enthalpy of formation:	-561.198 kJ/mol
+        -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Cd++  =  CdHCO3+
+        -llnl_gamma           4.0    
+        log_k           +1.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdHCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 I- + 1.0000 Cd++  =  CdI+
+        -llnl_gamma           4.0    
+        log_k           +2.0710
+	-delta_H	-9.02584	kJ/mol	# Calculated enthalpy of reaction	CdI+
+#	Enthalpy of formation:	-141.826 kJ/mol
+        -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001
+#       -Range:  0-300
+
+2.0000 I- + 1.0000 Cd++  =  CdI2
+        -llnl_gamma           3.0    
+        log_k           +3.4685
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 I- + 1.0000 Cd++  =  CdI3-
+        -llnl_gamma           4.0    
+        log_k           +4.5506
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 I- + 1.0000 Cd++  =  CdI4--
+        -llnl_gamma           4.0    
+        log_k           +5.3524
+	-delta_H	-38.8566	kJ/mol	# Calculated enthalpy of reaction	CdI4-2
+#	Enthalpy of formation:	-342.364 kJ/mol
+        -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002
+#       -Range:  0-300
+
+1.0000 N3- + 1.0000 Cd++  =  CdN3+
+        -llnl_gamma           4.0    
+        log_k           +1.4970
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdN3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO2- + 1.0000 Cd++  =  CdNO2+
+        -llnl_gamma           4.0    
+        log_k           +2.3700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdNO2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Cd++  =  CdOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.0751
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Cd++  =  CdP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +4.8094
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Thiocyanate- + 1.0000 Cd++  =  CdThiocyanate+
+        -llnl_gamma           4.0    
+        log_k           +1.3218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdThiocyanate+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Cd++  =  CdSO4
+        -llnl_gamma           3.0    
+        log_k           +0.0028
+	-delta_H	0.20436	kJ/mol	# Calculated enthalpy of reaction	CdSO4
+#	Enthalpy of formation:	-985.295 kJ/mol
+        -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000
+#       -Range:  0-200
+
+1.0000 SeO4-- + 1.0000 Cd++  =  CdSeO4
+        -llnl_gamma           3.0    
+        log_k           +2.2700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdSeO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Ce+++  =  Ce(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.8159
+	-delta_H	-22.9702	kJ/mol	# Calculated enthalpy of reaction	Ce(CH3COO)2+
+#	Enthalpy of formation:	-405.09 kcal/mol
+        -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Ce+++  =  Ce(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.151
+	-delta_H	-38.7438	kJ/mol	# Calculated enthalpy of reaction	Ce(CH3COO)3
+#	Enthalpy of formation:	-524.96 kcal/mol
+        -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Ce+++  =  Ce(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.1576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +8.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Ce++++  =  Ce(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           +2.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -6.1437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 2.0000 Ce++++  =  Ce2(OH)2+6 +2.0000 H+
+        -llnl_gamma           6.0    
+        log_k           +3.0098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 H2O + 3.0000 Ce+++  =  Ce3(OH)5++++ +5.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -33.4754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ce+++ + 1.0000 Br-  =  CeBr++
+        -llnl_gamma           4.5    
+        log_k           +0.3797
+	-delta_H	3.0585	kJ/mol	# Calculated enthalpy of reaction	CeBr+2
+#	Enthalpy of formation:	-195.709 kcal/mol
+        -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001
+#       -Range:  0-300
+
+1.0000 Ce+++ + 1.0000 CH3COOH  =  CeCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.0304
+	-delta_H	-12.0918	kJ/mol	# Calculated enthalpy of reaction	CeCH3COO+2
+#	Enthalpy of formation:	-286.39 kcal/mol
+        -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Ce+++  =  CeCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.9284
+	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
+#	Enthalpy of formation:	-309.988 kcal/mol
+        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
+#       -Range:  0-300
+
+1.0000 Cl- + 1.0000 Ce+++  =  CeCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
+#	Enthalpy of formation:	-203.8 kcal/mol
+        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Ce+++  =  CeCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.0308
+	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
+#	Enthalpy of formation:	-242.3 kcal/mol
+        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Ce+++  =  CeCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3936
+	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
+#	Enthalpy of formation:	-283.5 kcal/mol
+        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Ce+++  =  CeCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.7447
+	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
+#	Enthalpy of formation:	-327.6 kcal/mol
+        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
+#       -Range:  0-300
+
+1.0000 ClO4- + 1.0000 Ce+++  =  CeClO4++
+        -llnl_gamma           4.5    
+        log_k           +1.9102
+	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
+#	Enthalpy of formation:	-210.026 kcal/mol
+        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Ce+++  =  CeF++
+        -llnl_gamma           4.5    
+        log_k           +4.2221
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
+#	Enthalpy of formation:	-242 kcal/mol
+        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Ce+++  =  CeF2+
+        -llnl_gamma           4.0    
+        log_k           +7.2714
+	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
+#	Enthalpy of formation:	-324.1 kcal/mol
+        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Ce+++  =  CeF3
+        -llnl_gamma           3.0    
+        log_k           +9.5144
+	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
+#	Enthalpy of formation:	-409.3 kcal/mol
+        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Ce+++  =  CeF4-
+        -llnl_gamma           4.0    
+        log_k           +11.3909
+	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
+#	Enthalpy of formation:	-498.9 kcal/mol
+        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++  =  CeH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.6684
+	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
+#	Enthalpy of formation:	-480.1 kcal/mol
+        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Ce+++  =  CeHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.9190
+	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
+#	Enthalpy of formation:	-330.2 kcal/mol
+        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Ce+++  =  CeHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 IO3- + 1.0000 Ce+++  =  CeIO3++
+        -llnl_gamma           4.5    
+        log_k           +1.9000
+	-delta_H	-21.1627	kJ/mol	# Calculated enthalpy of reaction	CeIO3+2
+#	Enthalpy of formation:	-225.358 kcal/mol
+        -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001
+#       -Range:  0-300
+
+1.0000 NO3- + 1.0000 Ce+++  =  CeNO3++
+        -llnl_gamma           4.5    
+        log_k           +1.3143
+	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
+#	Enthalpy of formation:	-223.2 kcal/mol
+        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Ce+++  =  CeO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.4103
+	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
+#	Enthalpy of formation:	-208.9 kcal/mol
+        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Ce+++  =  CeO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -38.758
+	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
+#	Enthalpy of formation:	-230.3 kcal/mol
+        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Ce+++  =  CeO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -26.1503
+	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
+#	Enthalpy of formation:	-249.5 kcal/mol
+        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Ce+++  =  CeOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -8.4206
+	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
+#	Enthalpy of formation:	-218.2 kcal/mol
+        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Ce++++  =  CeOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           +3.2049
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Ce+++  =  CePO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.9718
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ce+++  =  CeSO4+
+        -llnl_gamma           4.0    
+        log_k           -3.687
+	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
+#	Enthalpy of formation:	-380.2 kcal/mol
+        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Co++  =  Co(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.1468
+	-delta_H	-22.4262	kJ/mol	# Calculated enthalpy of reaction	Co(CH3COO)2
+#	Enthalpy of formation:	-251.46 kcal/mol
+        -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Co++  =  Co(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.281
+	-delta_H	-48.2415	kJ/mol	# Calculated enthalpy of reaction	Co(CH3COO)3-
+#	Enthalpy of formation:	-373.73 kcal/mol
+        -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006
+#       -Range:  0-300
+
+2.0000 HS- + 1.0000 Co++  =  Co(HS)2
+        -llnl_gamma           3.0    
+        log_k           +9.0306
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(HS)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Co++  =  Co(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -18.8
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Co++  =  Co(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -45.7803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 2.0000 Co++  =  Co2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -11.2
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 4.0000 Co++  =  Co4(OH)4++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -30.3803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Br- + 1.0000 Co++  =  CoBr2
+        -llnl_gamma           3.0    
+        log_k           -0.0358
+	-delta_H	-0.56568	kJ/mol	# Calculated enthalpy of reaction	CoBr2
+#	Enthalpy of formation:	-301.73 kJ/mol
+        -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000
+#       -Range:  0-200
+
+1.0000 Co++ + 1.0000 CH3COOH  =  CoCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.2985
+	-delta_H	-8.70272	kJ/mol	# Calculated enthalpy of reaction	CoCH3COO+
+#	Enthalpy of formation:	-132.08 kcal/mol
+        -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005
+#       -Range:  0-300
+
+1.0000 Co++ + 1.0000 Cl-  =  CoCl+
+        -llnl_gamma           4.0    
+        log_k           +0.1547
+	-delta_H	1.71962	kJ/mol	# Calculated enthalpy of reaction	CoCl+
+#	Enthalpy of formation:	-53.422 kcal/mol
+        -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001
+#       -Range:  0-300
+
+1.0000 HS- + 1.0000 Co++  =  CoHS+
+        -llnl_gamma           4.0    
+        log_k           +5.9813
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHS+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 I- + 1.0000 Co++  =  CoI2
+        -llnl_gamma           3.0    
+        log_k           -0.0944
+	-delta_H	3.1774	kJ/mol	# Calculated enthalpy of reaction	CoI2
+#	Enthalpy of formation:	-168.785 kJ/mol
+        -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001
+#       -Range:  0-200
+
+1.0000 NO3- + 1.0000 Co++  =  CoNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Co++ + S2O3-- = CoS2O3
+        -llnl_gamma           3.0    
+        log_k            0.8063
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoS2O3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Co++  =  CoSO4
+        -llnl_gamma           3.0    
+        log_k           +0.0436
+	-delta_H	0.3842	kJ/mol	# Calculated enthalpy of reaction	CoSO4
+#	Enthalpy of formation:	-967.375 kJ/mol
+        -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000
+#       -Range:  0-200
+
+1.0000 SeO4-- + 1.0000 Co++  =  CoSeO4
+        -llnl_gamma           3.0    
+        log_k           +2.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Cr+++  =  Cr(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.7
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Cr+++  =  Cr(OH)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -18
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Cr+++  =  Cr(OH)4- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -27.4
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 2.0000 Cr+++  =  Cr2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -5.06
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 2.0000 CrO4--  =  Cr2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +14.5192
+	-delta_H	-13.8783	kJ/mol	# Calculated enthalpy of reaction	Cr2O7-2
+#	Enthalpy of formation:	-356.2 kcal/mol
+        -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001
+#       -Range:  0-300
+
+4.0000 H2O + 3.0000 Cr+++  =  Cr3(OH)4+5 +4.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -8.15
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr3(OH)4+5
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cr+++ + 1.0000 Br-  =  CrBr++
+        -llnl_gamma           4.5    
+        log_k           -2.7813
+	-delta_H	33.564	kJ/mol	# Calculated enthalpy of reaction	CrBr+2
+#	Enthalpy of formation:	-78.018 kcal/mol
+        -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001
+#       -Range:  0-300
+
+1.0000 Cr+++ + 1.0000 Cl-  =  CrCl++
+        -llnl_gamma           4.5    
+        log_k           -0.149
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrCl+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Cl- + 1.0000 Cr+++  =  CrCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.1596
+	-delta_H	41.2919	kJ/mol	# Calculated enthalpy of reaction	CrCl2+
+#	Enthalpy of formation:	-126.997 kcal/mol
+        -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001
+#       -Range:  0-300
+
+1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           7.5270 
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO3Cl-
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 2.7423e+002    1.0013e-001   -6.0072e+003   -1.1168e+002   -9.3817e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Cr+++  =  CrOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -4
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Cs+  =  Cs(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.771
+	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Cs(CH3COO)2-
+#	Enthalpy of formation:	-293.57 kcal/mol
+        -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001
+#       -Range:  0-300
+
+1.0000 Cs+ + 1.0000 Br-  =  CsBr
+        -llnl_gamma           3.0    
+        log_k           -0.2712
+	-delta_H	10.9621	kJ/mol	# Calculated enthalpy of reaction	CsBr
+#	Enthalpy of formation:	-88.09 kcal/mol
+        -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001
+#       -Range:  0-300
+
+1.0000 Cs+ + 1.0000 CH3COOH  =  CsCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.7352
+	-delta_H	6.0668	kJ/mol	# Calculated enthalpy of reaction	CsCH3COO
+#	Enthalpy of formation:	-176.32 kcal/mol
+        -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005
+#       -Range:  0-300
+
+1.0000 Cs+ + 1.0000 Cl-  =  CsCl
+        -llnl_gamma           3.0    
+        log_k           -0.1385
+	-delta_H	2.73215	kJ/mol	# Calculated enthalpy of reaction	CsCl
+#	Enthalpy of formation:	-100.95 kcal/mol
+        -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001
+#       -Range:  0-300
+
+1.0000 I- + 1.0000 Cs+  =  CsI
+        -llnl_gamma           3.0    
+        log_k           +0.2639
+	-delta_H	-6.56888	kJ/mol	# Calculated enthalpy of reaction	CsI
+#	Enthalpy of formation:	-76.84 kcal/mol
+        -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Cu++  =  Cu(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -5.8824
+	-delta_H	-25.899	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)2
+#	Enthalpy of formation:	-222.69 kcal/mol
+        -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Cu+  =  Cu(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.2139
+	-delta_H	-19.5476	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)2-
+#	Enthalpy of formation:	-219.74 kcal/mol
+        -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Cu++  =  Cu(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.3788
+	-delta_H	-53.2205	kJ/mol	# Calculated enthalpy of reaction	Cu(CH3COO)3-
+#	Enthalpy of formation:	-345.32 kcal/mol
+        -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Cu++  =  Cu(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.4757
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)2++
+        -llnl_gamma           4.5    
+        log_k           +7.4512
+	-delta_H	-45.1269	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)2+2
+#	Enthalpy of formation:	-142.112 kJ/mol
+        -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001
+#       -Range:  0-300
+
+3.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)3++
+        -llnl_gamma           4.5    
+        log_k           +10.2719
+	-delta_H	-67.2779	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)3+2
+#	Enthalpy of formation:	-245.6 kJ/mol
+        -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001
+#       -Range:  0-300
+
+2.0000 NO2- + 1.0000 Cu++  =  Cu(NO2)2
+        -llnl_gamma           3.0    
+        log_k           +3.0300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(NO2)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cu+ + 1.0000 CH3COOH  =  CuCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.4274
+	-delta_H	-4.19237	kJ/mol	# Calculated enthalpy of reaction	CuCH3COO
+#	Enthalpy of formation:	-99.97 kcal/mol
+        -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005
+#       -Range:  0-300
+
+1.0000 Cu++ + 1.0000 CH3COOH  =  CuCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.5252
+	-delta_H	-11.3805	kJ/mol	# Calculated enthalpy of reaction	CuCH3COO+
+#	Enthalpy of formation:	-103.12 kcal/mol
+        -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++  =  CuCO3(OH)2-- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -23.444
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3(OH)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Cu++  =  CuCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -3.3735
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Cu++ + 1.0000 Cl-  =  CuCl+
+        -llnl_gamma           4.0    
+        log_k           +0.4370
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Cl- + 1.0000 Cu++  =  CuCl2
+        -llnl_gamma           3.0    
+        log_k           +0.1585
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Cl- + 1.0000 Cu+  =  CuCl2-
+        -llnl_gamma           4.0    
+        log_k           +4.8212
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Cl- + 1.0000 Cu+  =  CuCl3--
+        -llnl_gamma           4.0    
+        log_k           +5.6289
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl3-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Cu++  =  CuCl4--
+        -llnl_gamma           4.0    
+        log_k           -4.5681
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 F- + 1.0000 Cu++  =  CuF+
+        -llnl_gamma           4.0    
+        log_k           +1.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++  =  CuH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +8.9654
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Cu++  =  CuHPO4
+        -llnl_gamma           3.0    
+        log_k           +4.0600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NH3 + 1.0000 Cu++  =  CuNH3++
+        -llnl_gamma           4.5    
+        log_k           +4.0400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNH3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO2- + 1.0000 Cu++  =  CuNO2+
+        -llnl_gamma           4.0    
+        log_k           +2.0200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNO2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Cu++  =  CuO2-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -39.4497
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuO2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Cu++  =  CuOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.2875
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Cu++  =  CuPO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.4718
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Cu++  =  CuSO4
+        -llnl_gamma           0.0    
+        log_k           +2.3600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Dy+++  =  Dy(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9625
+	-delta_H	-29.3298	kJ/mol	# Calculated enthalpy of reaction	Dy(CH3COO)2+
+#	Enthalpy of formation:	-405.71 kcal/mol
+        -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Dy+++  =  Dy(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3489
+	-delta_H	-49.4549	kJ/mol	# Calculated enthalpy of reaction	Dy(CH3COO)3
+#	Enthalpy of formation:	-526.62 kcal/mol
+        -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Dy+++  =  Dy(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.4576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with DyO2-
+#4.0000 H2O + 1.0000 Dy+++  =  Dy(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -33.4803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.4437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Dy+++  =  Dy(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Dy+++ + 1.0000 CH3COOH  =  DyCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1037
+	-delta_H	-14.8532	kJ/mol	# Calculated enthalpy of reaction	DyCH3COO+2
+#	Enthalpy of formation:	-286.15 kcal/mol
+        -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Dy+++  =  DyCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.3324
+	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	DyCO3+
+#	Enthalpy of formation:	-310.1 kcal/mol
+        -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002
+#       -Range:  0-300
+
+1.0000 Dy+++ + 1.0000 Cl-  =  DyCl++
+        -llnl_gamma           4.5    
+        log_k           +0.2353
+	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	DyCl+2
+#	Enthalpy of formation:	-203.2 kcal/mol
+        -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Dy+++  =  DyCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	DyCl2+
+#	Enthalpy of formation:	-242.2 kcal/mol
+        -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Dy+++  =  DyCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	8.78222	kJ/mol	# Calculated enthalpy of reaction	DyCl3
+#	Enthalpy of formation:	-284.2 kcal/mol
+        -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Dy+++  =  DyCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-14.0917	kJ/mol	# Calculated enthalpy of reaction	DyCl4-
+#	Enthalpy of formation:	-329.6 kcal/mol
+        -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Dy+++  =  DyF++
+        -llnl_gamma           4.5    
+        log_k           +4.6619
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	DyF+2
+#	Enthalpy of formation:	-241.1 kcal/mol
+        -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Dy+++  =  DyF2+
+        -llnl_gamma           4.0    
+        log_k           +8.1510
+	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	DyF2+
+#	Enthalpy of formation:	-323.8 kcal/mol
+        -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Dy+++  =  DyF3
+        -llnl_gamma           3.0    
+        log_k           +10.7605
+	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	DyF3
+#	Enthalpy of formation:	-409.8 kcal/mol
+        -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Dy+++  =  DyF4-
+        -llnl_gamma           4.0    
+        log_k           +12.8569
+	-delta_H	-57.3208	kJ/mol	# Calculated enthalpy of reaction	DyF4-
+#	Enthalpy of formation:	-500.8 kcal/mol
+        -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++  =  DyH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.3751
+	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	DyH2PO4+2
+#	Enthalpy of formation:	-479.7 kcal/mol
+        -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Dy+++  =  DyHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.6991
+	-delta_H	7.10443	kJ/mol	# Calculated enthalpy of reaction	DyHCO3+2
+#	Enthalpy of formation:	-329.7 kcal/mol
+        -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Dy+++  =  DyHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Dy+++  =  DyNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.1415
+	-delta_H	-30.4219	kJ/mol	# Calculated enthalpy of reaction	DyNO3+2
+#	Enthalpy of formation:	-223.2 kcal/mol
+        -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Dy+++  =  DyO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.1171
+	-delta_H	108.018	kJ/mol	# Calculated enthalpy of reaction	DyO+
+#	Enthalpy of formation:	-209 kcal/mol
+        -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Dy+++  =  DyO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -33.4804
+	-delta_H	273.776	kJ/mol	# Calculated enthalpy of reaction	DyO2-
+#	Enthalpy of formation:	-237.7 kcal/mol
+        -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Dy+++  =  DyO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -24.8309
+	-delta_H	217.71	kJ/mol	# Calculated enthalpy of reaction	DyO2H
+#	Enthalpy of formation:	-251.1 kcal/mol
+        -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Dy+++  =  DyOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.8342
+	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	DyOH+2
+#	Enthalpy of formation:	-216.5 kcal/mol
+        -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Dy+++  =  DyPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.1782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Dy+++  =  DySO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	DySO4+
+#	Enthalpy of formation:	-379 kcal/mol
+        -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Er+++  =  Er(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9844
+	-delta_H	-32.8026	kJ/mol	# Calculated enthalpy of reaction	Er(CH3COO)2+
+#	Enthalpy of formation:	-408.54 kcal/mol
+        -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Er+++  =  Er(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3783
+	-delta_H	-55.187	kJ/mol	# Calculated enthalpy of reaction	Er(CH3COO)3
+#	Enthalpy of formation:	-529.99 kcal/mol
+        -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Er+++  =  Er(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.2576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Er+++  =  Er(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +10.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with ErO2-
+#4.0000 H2O + 1.0000 Er+++  =  Er(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -32.5803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Er+++  =  Er(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.2437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Er+++  =  Er(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Er+++ + 1.0000 CH3COOH  =  ErCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1184
+	-delta_H	-16.4013	kJ/mol	# Calculated enthalpy of reaction	ErCH3COO+2
+#	Enthalpy of formation:	-288.52 kcal/mol
+        -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Er+++  =  ErCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.1858
+	-delta_H	87.0188	kJ/mol	# Calculated enthalpy of reaction	ErCO3+
+#	Enthalpy of formation:	-312.6 kcal/mol
+        -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002
+#       -Range:  0-300
+
+1.0000 Er+++ + 1.0000 Cl-  =  ErCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	12.6901	kJ/mol	# Calculated enthalpy of reaction	ErCl+2
+#	Enthalpy of formation:	-205.4 kcal/mol
+        -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Er+++  =  ErCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	15.3385	kJ/mol	# Calculated enthalpy of reaction	ErCl2+
+#	Enthalpy of formation:	-244.7 kcal/mol
+        -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Er+++  =  ErCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	5.01662	kJ/mol	# Calculated enthalpy of reaction	ErCl3
+#	Enthalpy of formation:	-287.1 kcal/mol
+        -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Er+++  =  ErCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-20.7861	kJ/mol	# Calculated enthalpy of reaction	ErCl4-
+#	Enthalpy of formation:	-333.2 kcal/mol
+        -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Er+++  =  ErF++
+        -llnl_gamma           4.5    
+        log_k           +4.7352
+	-delta_H	24.058	kJ/mol	# Calculated enthalpy of reaction	ErF+2
+#	Enthalpy of formation:	-242.9 kcal/mol
+        -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Er+++  =  ErF2+
+        -llnl_gamma           4.0    
+        log_k           +8.2976
+	-delta_H	12.9704	kJ/mol	# Calculated enthalpy of reaction	ErF2+
+#	Enthalpy of formation:	-325.7 kcal/mol
+        -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Er+++  =  ErF3
+        -llnl_gamma           3.0    
+        log_k           +10.9071
+	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	ErF3
+#	Enthalpy of formation:	-411.9 kcal/mol
+        -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Er+++  =  ErF4-
+        -llnl_gamma           4.0    
+        log_k           +13.0768
+	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	ErF4-
+#	Enthalpy of formation:	-503.5 kcal/mol
+        -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++  =  ErH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	ErH2PO4+2
+#	Enthalpy of formation:	-482.2 kcal/mol
+        -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Er+++  =  ErHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.7724
+	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	ErHCO3+2
+#	Enthalpy of formation:	-332.2 kcal/mol
+        -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Er+++  =  ErHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Er+++  =  ErNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.1415
+	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	ErNO3+2
+#	Enthalpy of formation:	-226 kcal/mol
+        -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Er+++  =  ErO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.9705
+	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	ErO+
+#	Enthalpy of formation:	-211.6 kcal/mol
+        -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Er+++  =  ErO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -32.6008
+	-delta_H	266.245	kJ/mol	# Calculated enthalpy of reaction	ErO2-
+#	Enthalpy of formation:	-241.5 kcal/mol
+        -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Er+++  =  ErO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -24.3178
+	-delta_H	212.689	kJ/mol	# Calculated enthalpy of reaction	ErO2H
+#	Enthalpy of formation:	-254.3 kcal/mol
+        -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Er+++  =  ErOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.7609
+	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	ErOH+2
+#	Enthalpy of formation:	-219 kcal/mol
+        -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Er+++  =  ErPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.3782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Er+++  =  ErSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5697
+	-delta_H	20.3008	kJ/mol	# Calculated enthalpy of reaction	ErSO4+
+#	Enthalpy of formation:	-381.048 kcal/mol
+        -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Eu+++  =  Eu(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.6912
+	-delta_H	-28.3257	kJ/mol	# Calculated enthalpy of reaction	Eu(CH3COO)2+
+#	Enthalpy of formation:	-383.67 kcal/mol
+        -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Eu+++  =  Eu(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.9824
+	-delta_H	-47.3629	kJ/mol	# Calculated enthalpy of reaction	Eu(CH3COO)3
+#	Enthalpy of formation:	-504.32 kcal/mol
+        -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.3993
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)3--- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.8155
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)3-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with EuO+
+#2.0000 H2O + 1.0000 Eu+++  =  Eu(OH)2+ +2.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -14.8609
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2+
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++  =  Eu(OH)2CO3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.8462
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2CO3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with EuO2H
+#3.0000 H2O + 1.0000 Eu+++  =  Eu(OH)3 +3.0000 H+
+#        -llnl_gamma           3.0    
+#        log_k           -24.1253
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)3
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with EuO2-
+#4.0000 H2O + 1.0000 Eu+++  =  Eu(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -36.5958
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)4-
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.9837
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Eu+++  =  Eu(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.4693
+	-delta_H	25.627	kJ/mol	# Calculated enthalpy of reaction	Eu(SO4)2-
+#	Enthalpy of formation:	-2399 kJ/mol
+        -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002
+#       -Range:  0-300
+
+2.0000 H2O + 2.0000 Eu+++  =  Eu2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -6.9182
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Eu+++ + 1.0000 Br-  =  EuBr++
+        -llnl_gamma           4.5    
+        log_k           +0.5572
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Br- + 1.0000 Eu+++  =  EuBr2+
+        -llnl_gamma           4.0    
+        log_k           +0.2145
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Eu+++ + 1.0000 BrO3-  =  EuBrO3++
+        -llnl_gamma           4.5    
+        log_k           +4.5823
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBrO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Eu+++ + 1.0000 CH3COOH  =  EuCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -1.9571
+	-delta_H	-14.5603	kJ/mol	# Calculated enthalpy of reaction	EuCH3COO+2
+#	Enthalpy of formation:	-264.28 kcal/mol
+        -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Eu+++  =  EuCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.4057
+	-delta_H	90.7844	kJ/mol	# Calculated enthalpy of reaction	EuCO3+
+#	Enthalpy of formation:	-287.9 kcal/mol
+        -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002
+#       -Range:  0-300
+
+1.0000 Eu++ + 1.0000 Cl-  =  EuCl+
+        -llnl_gamma           4.0    
+        log_k           +0.3819
+	-delta_H	8.50607	kJ/mol	# Calculated enthalpy of reaction	EuCl+
+#	Enthalpy of formation:	-164 kcal/mol
+        -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001
+#       -Range:  0-300
+
+1.0000 Eu+++ + 1.0000 Cl-  =  EuCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	EuCl+2
+#	Enthalpy of formation:	-181.3 kcal/mol
+        -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Eu++  =  EuCl2
+        -llnl_gamma           3.0    
+        log_k           +1.2769
+	-delta_H	5.71534	kJ/mol	# Calculated enthalpy of reaction	EuCl2
+#	Enthalpy of formation:	-204.6 kcal/mol
+        -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Eu+++  =  EuCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	18.6857	kJ/mol	# Calculated enthalpy of reaction	EuCl2+
+#	Enthalpy of formation:	-220.1 kcal/mol
+        -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Eu+++  =  EuCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	11.2926	kJ/mol	# Calculated enthalpy of reaction	EuCl3
+#	Enthalpy of formation:	-261.8 kcal/mol
+        -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Eu++  =  EuCl3-
+        -llnl_gamma           4.0    
+        log_k           +2.0253
+	-delta_H	-3.76978	kJ/mol	# Calculated enthalpy of reaction	EuCl3-
+#	Enthalpy of formation:	-246.8 kcal/mol
+        -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Eu+++  =  EuCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-9.90771	kJ/mol	# Calculated enthalpy of reaction	EuCl4-
+#	Enthalpy of formation:	-306.8 kcal/mol
+        -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Eu++  =  EuCl4--
+        -llnl_gamma           4.0    
+        log_k           +2.8470
+	-delta_H	-19.9493	kJ/mol	# Calculated enthalpy of reaction	EuCl4-2
+#	Enthalpy of formation:	-290.6 kcal/mol
+        -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Eu++  =  EuF+
+        -llnl_gamma           4.0    
+        log_k           -1.3487
+	-delta_H	16.9452	kJ/mol	# Calculated enthalpy of reaction	EuF+
+#	Enthalpy of formation:	-202.2 kcal/mol
+        -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001
+#       -Range:  0-300
+
+1.0000 F- + 1.0000 Eu+++  =  EuF++
+        -llnl_gamma           4.5    
+        log_k           +4.4420
+	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	EuF+2
+#	Enthalpy of formation:	-219.2 kcal/mol
+        -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Eu++  =  EuF2
+        -llnl_gamma           3.0    
+        log_k           -2.0378
+	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	EuF2
+#	Enthalpy of formation:	-282.2 kcal/mol
+        -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Eu+++  =  EuF2+
+        -llnl_gamma           4.0    
+        log_k           +7.7112
+	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	EuF2+
+#	Enthalpy of formation:	-301.7 kcal/mol
+        -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Eu+++  =  EuF3
+        -llnl_gamma           3.0    
+        log_k           +10.1741
+	-delta_H	-8.9956	kJ/mol	# Calculated enthalpy of reaction	EuF3
+#	Enthalpy of formation:	-387.3 kcal/mol
+        -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Eu++  =  EuF3-
+        -llnl_gamma           4.0    
+        log_k           -2.5069
+	-delta_H	3.5564	kJ/mol	# Calculated enthalpy of reaction	EuF3-
+#	Enthalpy of formation:	-365.7 kcal/mol
+        -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Eu+++  =  EuF4-
+        -llnl_gamma           4.0    
+        log_k           +12.1239
+	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	EuF4-
+#	Enthalpy of formation:	-477.8 kcal/mol
+        -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Eu++  =  EuF4--
+        -llnl_gamma           4.0    
+        log_k           -2.8294
+	-delta_H	-37.656	kJ/mol	# Calculated enthalpy of reaction	EuF4-2
+#	Enthalpy of formation:	-455.7 kcal/mol
+        -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++  =  EuH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-17.0916	kJ/mol	# Calculated enthalpy of reaction	EuH2PO4+2
+#	Enthalpy of formation:	-457.6 kcal/mol
+        -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Eu+++  =  EuHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.6258
+	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	EuHCO3+2
+#	Enthalpy of formation:	-307.5 kcal/mol
+        -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Eu+++  =  EuHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 IO3- + 1.0000 Eu+++  =  EuIO3++
+        -llnl_gamma           4.5    
+        log_k           +2.1560
+	-delta_H	11.8314	kJ/mol	# Calculated enthalpy of reaction	EuIO3+2
+#	Enthalpy of formation:	-814.927 kJ/mol
+        -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001
+#       -Range:  0-300
+
+1.0000 NO3- + 1.0000 Eu+++  =  EuNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.8745
+	-delta_H	-32.0955	kJ/mol	# Calculated enthalpy of reaction	EuNO3+2
+#	Enthalpy of formation:	-201.8 kcal/mol
+        -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Eu+++  =  EuO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.337
+	-delta_H	110.947	kJ/mol	# Calculated enthalpy of reaction	EuO+
+#	Enthalpy of formation:	-186.5 kcal/mol
+        -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Eu+++  =  EuO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -34.5066
+	-delta_H	281.307	kJ/mol	# Calculated enthalpy of reaction	EuO2-
+#	Enthalpy of formation:	-214.1 kcal/mol
+        -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Eu+++  =  EuO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.4173
+	-delta_H	222.313	kJ/mol	# Calculated enthalpy of reaction	EuO2H
+#	Enthalpy of formation:	-228.2 kcal/mol
+        -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOH(CO3)2-- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.176
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOH(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Eu+++  =  EuOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.9075
+	-delta_H	78.0065	kJ/mol	# Calculated enthalpy of reaction	EuOH+2
+#	Enthalpy of formation:	-194.373 kcal/mol
+        -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOHCO3 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.4941
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Eu+++  =  EuPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.1218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Eu+++  =  EuSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	62.3416	kJ/mol	# Calculated enthalpy of reaction	EuSO4+
+#	Enthalpy of formation:	-347.2 kcal/mol
+        -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Fe++  =  Fe(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.0295
+	-delta_H	-20.2924	kJ/mol	# Calculated enthalpy of reaction	Fe(CH3COO)2
+#	Enthalpy of formation:	-259.1 kcal/mol
+        -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Fe++  =  Fe(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -20.6
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Fe+++  =  Fe(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.67
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Fe+++  =  Fe(OH)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -12
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Fe++  =  Fe(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -31
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Fe+++  =  Fe(OH)4- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -21.6
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Fe++  =  Fe(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -46
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Fe+++  =  Fe(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +3.2137
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 2.0000 Fe+++  =  Fe2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -2.95
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 3.0000 Fe+++  =  Fe3(OH)4+5 +4.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -6.3
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe3(OH)4+5
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Fe++ + 1.0000 CH3COOH  =  FeCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.4671
+	-delta_H	-3.80744	kJ/mol	# Calculated enthalpy of reaction	FeCH3COO+
+#	Enthalpy of formation:	-139.06 kcal/mol
+        -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Fe++  =  FeCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -5.5988
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Fe+++  =  FeCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -0.6088
+	-delta_H	-50.208	kJ/mol	# Calculated enthalpy of reaction	FeCO3+
+#	Enthalpy of formation:	-188.748 kcal/mol
+        -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000
+#       -Range:  0-300
+
+1.0000 Fe++ + 1.0000 Cl-  =  FeCl+
+        -llnl_gamma           4.0    
+        log_k           -0.1605
+	-delta_H	3.02503	kJ/mol	# Calculated enthalpy of reaction	FeCl+
+#	Enthalpy of formation:	-61.26 kcal/mol
+        -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001
+#       -Range:  0-300
+
+1.0000 Fe+++ + 1.0000 Cl-  =  FeCl++
+        -llnl_gamma           4.5    
+        log_k           -0.8108
+	-delta_H	36.6421	kJ/mol	# Calculated enthalpy of reaction	FeCl+2
+#	Enthalpy of formation:	-180.018 kJ/mol
+        -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Fe++  =  FeCl2
+        -llnl_gamma           3.0    
+        log_k           -2.4541
+	-delta_H	6.46846	kJ/mol	# Calculated enthalpy of reaction	FeCl2
+#	Enthalpy of formation:	-100.37 kcal/mol
+        -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Fe+++  =  FeCl2+
+        -llnl_gamma           4.0    
+        log_k           +2.1300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Fe+++  =  FeCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.79
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Fe++  =  FeCl4--
+        -llnl_gamma           4.0    
+        log_k           -1.9
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002
+#       -Range:  0-300
+
+1.0000 Fe++ + 1.0000 F-  =  FeF+
+        -llnl_gamma           4.0    
+        log_k           +1.3600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Fe+++ + 1.0000 F-  =  FeF++
+        -llnl_gamma           4.5    
+        log_k           +4.1365
+	-delta_H	14.327	kJ/mol	# Calculated enthalpy of reaction	FeF+2
+#	Enthalpy of formation:	-370.601 kJ/mol
+        -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Fe+++  =  FeF2+
+        -llnl_gamma           4.0    
+        log_k           +8.3498
+	-delta_H	23.9776	kJ/mol	# Calculated enthalpy of reaction	FeF2+
+#	Enthalpy of formation:	-696.298 kJ/mol
+        -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++  =  FeH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +2.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++  =  FeH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +4.1700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HCO3- + 1.0000 Fe++  =  FeHCO3+
+        -llnl_gamma           4.0    
+        log_k           +2.7200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Fe++  =  FeHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Fe+++  =  FeHPO4+
+        -llnl_gamma           4.0    
+        log_k           +10.1800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO2- + 1.0000 Fe+++  =  FeNO2++
+        -llnl_gamma           4.5    
+        log_k           +3.1500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Fe+++  =  FeNO3++
+        -llnl_gamma           4.5    
+        log_k           +1.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Fe++  =  FeOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.5
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2O + 1.0000 Fe+++  =  FeOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.19
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 Fe++  =  FePO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.3918
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FePO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Fe++  =  FeSO4
+        -llnl_gamma           3.0    
+        log_k           +2.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeSO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Fe+++  =  FeSO4+
+        -llnl_gamma           4.0    
+        log_k           +1.9276
+	-delta_H	27.181	kJ/mol	# Calculated enthalpy of reaction	FeSO4+
+#	Enthalpy of formation:	-932.001 kJ/mol
+        -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Gd+++  =  Gd(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9625
+	-delta_H	-22.3426	kJ/mol	# Calculated enthalpy of reaction	Gd(CH3COO)2+
+#	Enthalpy of formation:	-401.74 kcal/mol
+        -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Gd+++  =  Gd(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3489
+	-delta_H	-37.9907	kJ/mol	# Calculated enthalpy of reaction	Gd(CH3COO)3
+#	Enthalpy of formation:	-521.58 kcal/mol
+        -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Gd+++  =  Gd(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.5576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with GdO2-
+#4.0000 H2O + 1.0000 Gd+++  =  Gd(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -33.8803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)4-
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.9437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Gd+++  =  Gd(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Gd+++ + 1.0000 CH3COOH  =  GdCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1037
+	-delta_H	-11.7152	kJ/mol	# Calculated enthalpy of reaction	GdCH3COO+2
+#	Enthalpy of formation:	-283.1 kcal/mol
+        -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Gd+++  =  GdCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.479
+	-delta_H	89.9476	kJ/mol	# Calculated enthalpy of reaction	GdCO3+
+#	Enthalpy of formation:	-307.6 kcal/mol
+        -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002
+#       -Range:  0-300
+
+1.0000 Gd+++ + 1.0000 Cl-  =  GdCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	GdCl+2
+#	Enthalpy of formation:	-200.6 kcal/mol
+        -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Gd+++  =  GdCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	21.1961	kJ/mol	# Calculated enthalpy of reaction	GdCl2+
+#	Enthalpy of formation:	-239 kcal/mol
+        -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Gd+++  =  GdCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	15.895	kJ/mol	# Calculated enthalpy of reaction	GdCl3
+#	Enthalpy of formation:	-280.2 kcal/mol
+        -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Gd+++  =  GdCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-1.53971	kJ/mol	# Calculated enthalpy of reaction	GdCl4-
+#	Enthalpy of formation:	-324.3 kcal/mol
+        -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002
+#       -Range:  0-300
+
+1.0000 Gd+++ + 1.0000 F-  =  GdF++
+        -llnl_gamma           4.5    
+        log_k           +4.5886
+	-delta_H	21.1292	kJ/mol	# Calculated enthalpy of reaction	GdF+2
+#	Enthalpy of formation:	-239.3 kcal/mol
+        -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Gd+++  =  GdF2+
+        -llnl_gamma           4.0    
+        log_k           +7.9311
+	-delta_H	11.2968	kJ/mol	# Calculated enthalpy of reaction	GdF2+
+#	Enthalpy of formation:	-321.8 kcal/mol
+        -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Gd+++  =  GdF3
+        -llnl_gamma           3.0    
+        log_k           +10.4673
+	-delta_H	-11.506	kJ/mol	# Calculated enthalpy of reaction	GdF3
+#	Enthalpy of formation:	-407.4 kcal/mol
+        -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Gd+++  =  GdF4-
+        -llnl_gamma           4.0    
+        log_k           +12.4904
+	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	GdF4-
+#	Enthalpy of formation:	-497.3 kcal/mol
+        -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++  =  GdH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-14.9996	kJ/mol	# Calculated enthalpy of reaction	GdH2PO4+2
+#	Enthalpy of formation:	-476.6 kcal/mol
+        -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000
+#       -Range:  0-300
+
+1.0000 HCO3- + 1.0000 Gd+++  =  GdHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.6991
+	-delta_H	10.0332	kJ/mol	# Calculated enthalpy of reaction	GdHCO3+2
+#	Enthalpy of formation:	-326.7 kcal/mol
+        -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Gd+++  =  GdHPO4+
+        -llnl_gamma           4.0    
+        log_k           -185.109
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Gd+++  =  GdNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.4347
+	-delta_H	-25.8195	kJ/mol	# Calculated enthalpy of reaction	GdNO3+2
+#	Enthalpy of formation:	-219.8 kcal/mol
+        -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Gd+++  =  GdO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.337
+	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	GdO+
+#	Enthalpy of formation:	-205.5 kcal/mol
+        -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Gd+++  =  GdO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -34.4333
+	-delta_H	283.817	kJ/mol	# Calculated enthalpy of reaction	GdO2-
+#	Enthalpy of formation:	-233 kcal/mol
+        -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Gd+++  =  GdO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.2707
+	-delta_H	224.405	kJ/mol	# Calculated enthalpy of reaction	GdO2H
+#	Enthalpy of formation:	-247.2 kcal/mol
+        -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002
+#       -Range:  0-300
+
+1.0000 H2O + 1.0000 Gd+++  =  GdOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.9075
+	-delta_H	79.9855	kJ/mol	# Calculated enthalpy of reaction	GdOH+2
+#	Enthalpy of formation:	-213.4 kcal/mol
+        -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002
+#       -Range:  0-300
+
+1.0000 HPO4-- + 1.0000 Gd+++  =  GdPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.1218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Gd+++  =  GdSO4+
+        -llnl_gamma           4.0    
+        log_k           -3.687
+	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	GdSO4+
+#	Enthalpy of formation:	-376.8 kcal/mol
+        -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002
+#       -Range:  0-300
+
+1.0000 O_phthalate-2 + 1.0000 H+  =  H(O_phthalate)-
+        -llnl_gamma           4.0    
+        log_k           +5.4080
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H(O_phthalate)-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 CrO4--  =  H2CrO4
+        -llnl_gamma           3.0    
+        log_k           +5.1750
+	-delta_H	42.8274	kJ/mol	# Calculated enthalpy of reaction	H2CrO4
+#	Enthalpy of formation:	-200.364 kcal/mol
+        -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002
+#       -Range:  0-200
+
+2.0000 H+ + 2.0000 F-  =  H2F2
+        -llnl_gamma           3.0    
+        log_k           +6.7680
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2F2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 2.0000 H+  =  H2P2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +12.0709
+	-delta_H	19.7192	kJ/mol	# Calculated enthalpy of reaction	H2P2O7-2
+#	Enthalpy of formation:	-544.6 kcal/mol
+        -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001
+#       -Range:  0-300
+
+3.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  H2PO3F +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +12.1047
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2PO3F
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+  =  H2PO4-
+        -llnl_gamma           4.0    
+        log_k           +7.2054
+	-delta_H	-4.20492	kJ/mol	# Calculated enthalpy of reaction	H2PO4-
+#	Enthalpy of formation:	-309.82 kcal/mol
+        -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001
+#       -Range:  0-300
+
+#1.0000 HS- + 1.0000 H+  =  H2S
+#        -llnl_gamma           3.0    
+#        log_k           +6.99
+#        -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001
+#       -Range:  0-300
+# these (above) H2S values are from 
+# Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198.
+# values below are the original Thermo.com.v8.r6.230 data from somewhere
+
+1.0000 HS- + 1.0000 H+  =  H2S
+        -llnl_gamma           3.0    
+        log_k           +6.9877
+	-delta_H	-21.5518	kJ/mol	# Calculated enthalpy of reaction	H2S
+#	Enthalpy of formation:	-9.001 kcal/mol
+        -analytic 3.9283e+001 2.8727e-002  1.3477e+003 -1.8331e+001  2.1018e+001
+#       -Range:  0-300
+
+2.0000 H+ + 1.0000 SO3--  =  H2SO3
+        -llnl_gamma           3.0    
+        log_k           +9.2132
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 SO4--  =  H2SO4
+        -llnl_gamma           3.0    
+        log_k           -1.0209
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 Se--  =  H2Se
+        -llnl_gamma           3.0    
+        log_k           +18.7606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2Se
+#	Enthalpy of formation:	19.412 kJ/mol
+        -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001
+#       -Range:  0-200
+
+2.0000 H+ + 1.0000 SeO3--  =  H2SeO3
+        -llnl_gamma           3.0    
+        log_k           +9.8589
+	-delta_H	1.7238	kJ/mol	# Calculated enthalpy of reaction	H2SeO3
+#	Enthalpy of formation:	-507.469 kJ/mol
+        -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001
+#       -Range:  0-200
+
+2.0000 H2O + 1.0000 SiO2  =  H2SiO4-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -22.96
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SiO4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 TcO4--  =  H2TcO4
+        -llnl_gamma           3.0    
+        log_k           +9.0049
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2TcO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 VO2+ =  H2VO4- + 2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.0922
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2VO4-
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 1.7105e+001   -1.7503e-002   -4.2671e+003   -1.8910e+000   -6.6589e+001
+#       -Range:  0-300
+
+1.0000 H2AsO4- + 1.0000 H+  =  H3AsO4
+        -llnl_gamma           3.0    
+        log_k           +2.2492
+	-delta_H	7.17876	kJ/mol	# Calculated enthalpy of reaction	H3AsO4
+#	Enthalpy of formation:	-902.381 kJ/mol
+        -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001
+#       -Range:  0-200
+
+3.0000 H+ + 2.0000 HPO4--  =  H3P2O7- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +14.4165
+	-delta_H	21.8112	kJ/mol	# Calculated enthalpy of reaction	H3P2O7-
+#	Enthalpy of formation:	-544.1 kcal/mol
+        -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001
+#       -Range:  0-300
+
+2.0000 H+ + 1.0000 HPO4--  =  H3PO4
+        -llnl_gamma           3.0    
+        log_k           +9.3751
+	-delta_H	3.74468	kJ/mol	# Calculated enthalpy of reaction	H3PO4
+#	Enthalpy of formation:	-307.92 kcal/mol
+        -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001
+#       -Range:  0-300
+
+8.0000 H2O + 4.0000 SiO2  =  H4(H2SiO4)4---- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -35.94
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H4(H2SiO4)4-4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H+ + 2.0000 HPO4--  =  H4P2O7 +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +15.9263
+	-delta_H	29.7226	kJ/mol	# Calculated enthalpy of reaction	H4P2O7
+#	Enthalpy of formation:	-2268.6 kJ/mol
+        -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002
+#       -Range:  0-200
+
+8.0000 H2O + 4.0000 SiO2  =  H6(H2SiO4)4-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -13.64
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H6(H2SiO4)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Al+++  =  HAlO2 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -16.4329
+	-delta_H	144.704	kJ/mol	# Calculated enthalpy of reaction	HAlO2
+#	Enthalpy of formation:	-230.73 kcal/mol
+        -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002
+#       -Range:  0-300
+
+1.0000 H2AsO3- + 1.0000 H+  =  HAsO2 +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k            9.2792 
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 3.1290e+002    9.3052e-002   -6.5052e+003   -1.2510e+002   -1.1058e+002
+#       -Range:  0-200
+
+1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F-  =  HAsO3F- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +46.1158
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO3F-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H2AsO4-  =  HAsO4-- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -6.7583
+	-delta_H	3.22168	kJ/mol	# Calculated enthalpy of reaction	HAsO4-2
+#	Enthalpy of formation:	-216.62 kcal/mol
+        -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001
+#       -Range:  0-300
+
+3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3-  =  HAsS2 +3.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +30.4803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsS2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H+ + 1.0000 BrO-  =  HBrO
+        -llnl_gamma           3.0    
+        log_k           +8.3889
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HBrO
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H+ + 1.0000 Cyanide-  =  HCyanide
+        -llnl_gamma           3.0    
+        log_k           +9.2359
+	-delta_H	-43.5136	kJ/mol	# Calculated enthalpy of reaction	HCyanide
+#	Enthalpy of formation:	25.6 kcal/mol
+        -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001
+#       -Range:  0-300
+
+1.0000 H+ + 1.0000 Cl-  =  HCl
+        -llnl_gamma           3.0    
+        log_k           -0.67
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCl
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002
+#       -Range:  0-300
+
+1.0000 H+ + 1.0000 ClO-  =  HClO
+        -llnl_gamma           3.0    
+        log_k           +7.5692
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H+ + 1.0000 ClO2-  =  HClO2
+        -llnl_gamma           3.0    
+        log_k           +3.1698
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Co++  =  HCoO2- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -21.243
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCoO2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H+ + 1.0000 CrO4--  =  HCrO4-
+        -llnl_gamma           4.0    
+        log_k           +6.4944
+	-delta_H	2.9288	kJ/mol	# Calculated enthalpy of reaction	HCrO4-
+#	Enthalpy of formation:	-209.9 kcal/mol
+        -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000
+#       -Range:  0-300
+
+1.0000 H+ + 1.0000 F-  =  HF
+        -llnl_gamma           3.0    
+        log_k           +3.1681
+	-delta_H	13.87	kJ/mol	# Calculated enthalpy of reaction	HF
+#	Enthalpy of formation:	-76.835 kcal/mol
+        -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 H+  =  HF2-
+        -llnl_gamma           4.0    
+        log_k           +2.5509
+	-delta_H	20.7526	kJ/mol	# Calculated enthalpy of reaction	HF2-
+#	Enthalpy of formation:	-155.34 kcal/mol
+        -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001
+#       -Range:  0-300
+
+1.0000 IO3- + 1.0000 H+  =  HIO3
+        -llnl_gamma           3.0    
+        log_k           +0.4915
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HIO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 N3- + 1.0000 H+  =  HN3
+        -llnl_gamma           3.0    
+        log_k           +4.7001
+	-delta_H	-15	kJ/mol	# Calculated enthalpy of reaction	HN3
+#	Enthalpy of formation:	260.14 kJ/mol
+        -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001
+#       -Range:  0-200
+
+1.0000 NO2- + 1.0000 H+  =  HNO2
+        -llnl_gamma           3.0    
+        log_k           +3.2206
+	-delta_H	-14.782	kJ/mol	# Calculated enthalpy of reaction	HNO2
+#	Enthalpy of formation:	-119.382 kJ/mol
+        -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005
+#       -Range:  0-200
+
+1.0000 NO3- + 1.0000 H+  =  HNO3
+        -llnl_gamma           3.0    
+        log_k           -1.3025
+	-delta_H	16.8155	kJ/mol	# Calculated enthalpy of reaction	HNO3
+#	Enthalpy of formation:	-45.41 kcal/mol
+        -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001
+#       -Range:  0-300
+
+2.0000 HPO4-- + 1.0000 H+  =  HP2O7--- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +5.4498
+	-delta_H	23.3326	kJ/mol	# Calculated enthalpy of reaction	HP2O7-3
+#	Enthalpy of formation:	-2274.99 kJ/mol
+        -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002
+#       -Range:  0-300
+
+2.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  HPO3F- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +11.2988
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HPO3F-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 RuO4 + 1.0000 H2O  =  HRuO5- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.5244
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HRuO5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 H+ + 1.0000 S2O3--  =  HS2O3-
+        -llnl_gamma           4.0    
+        log_k            1.0139
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HS2O3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO3-- + 1.0000 H+  =  HSO3-
+        -llnl_gamma           4.0    
+        log_k           +7.2054
+	-delta_H	9.33032	kJ/mol	# Calculated enthalpy of reaction	HSO3-
+#	Enthalpy of formation:	-149.67 kcal/mol
+        -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 H+  =  HSO4-
+        -llnl_gamma           4.0    
+        log_k           +1.9791
+	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HSO4-
+#	Enthalpy of formation:	-212.5 kcal/mol
+        -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001
+#       -Range:  0-300
+
+4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3  =  HSb2S4- +6.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +50.6100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HSb2S4-
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002
+#       -Range:  0-300
+
+1.0000 SeO3-- + 1.0000 H+  =  HSeO3-
+        -llnl_gamma           4.0    
+        log_k           +7.2861
+	-delta_H	-5.35552	kJ/mol	# Calculated enthalpy of reaction	HSeO3-
+#	Enthalpy of formation:	-122.98 kcal/mol
+        -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000
+#       -Range:  0-300
+
+1.0000 SeO4-- + 1.0000 H+  =  HSeO4-
+        -llnl_gamma           4.0    
+        log_k           +1.9058
+	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	HSeO4-
+#	Enthalpy of formation:	-139 kcal/mol
+        -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001
+#       -Range:  0-300
+
+1.0000 SiO2 + 1.0000 H2O  =  HSiO3- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.9525
+	-delta_H	25.991	kJ/mol	# Calculated enthalpy of reaction	HSiO3-
+#	Enthalpy of formation:	-271.88 kcal/mol
+        -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006
+#       -Range:  0-300
+
+1.0000 TcO4-- + 1.0000 H+  =  HTcO4-
+        -llnl_gamma           4.0    
+        log_k           +8.7071
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HTcO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 VO2+ =  HVO4-- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.1553
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HVO4-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -7.0660e+001   -5.2457e-002   -3.5380e+003    3.3534e+001   -5.5186e+001
+#       -Range:  0-300
+
+5.0000 H2O + 1.0000 Hf++++  =  Hf(OH)5- +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.1754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(OH)5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Hf++++ + 1.0000 H2O  =  HfOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -0.2951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfOH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Hg++  =  Hg(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -2.6242
+	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Hg(CH3COO)2
+#	Enthalpy of formation:	-198.78 kcal/mol
+        -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Hg++  =  Hg(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.3247
+	-delta_H	-59.7057	kJ/mol	# Calculated enthalpy of reaction	Hg(CH3COO)3-
+#	Enthalpy of formation:	-321.9 kcal/mol
+        -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006
+#       -Range:  0-300
+
+1.0000 Hg++ + 1.0000 CH3COOH  =  HgCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -0.4691
+	-delta_H	-16.5686	kJ/mol	# Calculated enthalpy of reaction	HgCH3COO+
+#	Enthalpy of formation:	-79.39 kcal/mol
+        -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Ho+++  =  Ho(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9844
+	-delta_H	-28.1583	kJ/mol	# Calculated enthalpy of reaction	Ho(CH3COO)2+
+#	Enthalpy of formation:	-407.93 kcal/mol
+        -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Ho+++  =  Ho(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3783
+	-delta_H	-47.5721	kJ/mol	# Calculated enthalpy of reaction	Ho(CH3COO)3
+#	Enthalpy of formation:	-528.67 kcal/mol
+        -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Ho+++  =  Ho(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.3576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.3437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Ho+++  =  Ho(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +4.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ho+++ + 1.0000 CH3COOH  =  HoCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1184
+	-delta_H	-14.3093	kJ/mol	# Calculated enthalpy of reaction	HoCH3COO+2
+#	Enthalpy of formation:	-288.52 kcal/mol
+        -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 HCO3-  =  HoCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.2591
+	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	HoCO3+
+#	Enthalpy of formation:	-312.6 kcal/mol
+        -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 Cl-  =  HoCl++
+        -llnl_gamma           4.5    
+        log_k           +0.2353
+	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	HoCl+2
+#	Enthalpy of formation:	-205.6 kcal/mol
+        -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Ho+++  =  HoCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	17.8489	kJ/mol	# Calculated enthalpy of reaction	HoCl2+
+#	Enthalpy of formation:	-244.6 kcal/mol
+        -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Ho+++  =  HoCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	HoCl3
+#	Enthalpy of formation:	-286.4 kcal/mol
+        -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Ho+++  =  HoCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-12.4181	kJ/mol	# Calculated enthalpy of reaction	HoCl4-
+#	Enthalpy of formation:	-331.7 kcal/mol
+        -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 F-  =  HoF++
+        -llnl_gamma           4.5    
+        log_k           +4.7352
+	-delta_H	22.3844	kJ/mol	# Calculated enthalpy of reaction	HoF+2
+#	Enthalpy of formation:	-243.8 kcal/mol
+        -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Ho+++  =  HoF2+
+        -llnl_gamma           4.0    
+        log_k           +8.2976
+	-delta_H	11.7152	kJ/mol	# Calculated enthalpy of reaction	HoF2+
+#	Enthalpy of formation:	-326.5 kcal/mol
+        -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Ho+++  =  HoF3
+        -llnl_gamma           3.0    
+        log_k           +10.9071
+	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	HoF3
+#	Enthalpy of formation:	-412.5 kcal/mol
+        -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Ho+++  =  HoF4-
+        -llnl_gamma           4.0    
+        log_k           +13.0035
+	-delta_H	-57.7392	kJ/mol	# Calculated enthalpy of reaction	HoF4-
+#	Enthalpy of formation:	-503.4 kcal/mol
+        -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+  =  HoH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-17.9284	kJ/mol	# Calculated enthalpy of reaction	HoH2PO4+2
+#	Enthalpy of formation:	-482.1 kcal/mol
+        -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 HCO3-  =  HoHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.6991
+	-delta_H	7.52283	kJ/mol	# Calculated enthalpy of reaction	HoHCO3+2
+#	Enthalpy of formation:	-332.1 kcal/mol
+        -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 HPO4--  =  HoHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Ho+++  =  HoNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.2148
+	-delta_H	-30.0035	kJ/mol	# Calculated enthalpy of reaction	HoNO3+2
+#	Enthalpy of formation:	-225.6 kcal/mol
+        -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 H2O  =  HoO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.0438
+	-delta_H	108.437	kJ/mol	# Calculated enthalpy of reaction	HoO+
+#	Enthalpy of formation:	-211.4 kcal/mol
+        -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Ho+++  =  HoO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -33.4804
+	-delta_H	274.613	kJ/mol	# Calculated enthalpy of reaction	HoO2-
+#	Enthalpy of formation:	-240 kcal/mol
+        -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Ho+++  =  HoO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -24.5377
+	-delta_H	216.873	kJ/mol	# Calculated enthalpy of reaction	HoO2H
+#	Enthalpy of formation:	-253.8 kcal/mol
+        -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 H2O  =  HoOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.7609
+	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	HoOH+2
+#	Enthalpy of formation:	-219 kcal/mol
+        -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001
+#       -Range:  0-300
+
+1.0000 Ho+++ + 1.0000 HPO4--  =  HoPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.2782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ho+++  =  HoSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5697
+	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HoSO4+
+#	Enthalpy of formation:	-381.5 kcal/mol
+        -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 K+  =  K(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.2914
+	-delta_H	-1.79912	kJ/mol	# Calculated enthalpy of reaction	K(CH3COO)2-
+#	Enthalpy of formation:	-292.9 kcal/mol
+        -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 Br-  =  KBr
+        -llnl_gamma           3.0    
+        log_k           -1.7372
+	-delta_H	12.5102	kJ/mol	# Calculated enthalpy of reaction	KBr
+#	Enthalpy of formation:	-86.32 kcal/mol
+        -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 CH3COOH  =  KCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -5.0211
+	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	KCH3COO
+#	Enthalpy of formation:	-175.22 kcal/mol
+        -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 Cl-  =  KCl
+        -llnl_gamma           3.0    
+        log_k           -1.4946
+	-delta_H	14.1963	kJ/mol	# Calculated enthalpy of reaction	KCl
+#	Enthalpy of formation:	-96.81 kcal/mol
+        -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 HPO4--  =  KHPO4-
+        -llnl_gamma           4.0    
+        log_k           +0.7800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KHPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 K+ + 1.0000 H+  =  KHSO4
+        -llnl_gamma           3.0    
+        log_k           +0.8136
+	-delta_H	29.8319	kJ/mol	# Calculated enthalpy of reaction	KHSO4
+#	Enthalpy of formation:	-270.54 kcal/mol
+        -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 I-  =  KI
+        -llnl_gamma           3.0    
+        log_k           -1.598
+	-delta_H	9.16296	kJ/mol	# Calculated enthalpy of reaction	KI
+#	Enthalpy of formation:	-71.68 kcal/mol
+        -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001
+#       -Range:  0-300
+
+1.0000 K+ + 1.0000 H2O  =  KOH +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -14.46
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KOH
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 K+  =  KP2O7--- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           -1.4286
+	-delta_H	34.1393	kJ/mol	# Calculated enthalpy of reaction	KP2O7-3
+#	Enthalpy of formation:	-2516.36 kJ/mol
+        -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 K+  =  KSO4-
+        -llnl_gamma           4.0    
+        log_k           +0.8796
+	-delta_H	2.88696	kJ/mol	# Calculated enthalpy of reaction	KSO4-
+#	Enthalpy of formation:	-276.98 kcal/mol
+        -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 La+++  =  La(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.3949
+	-delta_H	-23.1375	kJ/mol	# Calculated enthalpy of reaction	La(CH3COO)2+
+#	Enthalpy of formation:	-407.33 kcal/mol
+        -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 La+++  =  La(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.5982
+	-delta_H	-41.9237	kJ/mol	# Calculated enthalpy of reaction	La(CH3COO)3
+#	Enthalpy of formation:	-527.92 kcal/mol
+        -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 La+++  =  La(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.8576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 La+++  =  La(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +8.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 La+++  =  La(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.0437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 La+++  =  La(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 La+++ + 2.0000 H2O  =  La2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -22.9902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+9.0000 H2O + 5.0000 La+++  =  La5(OH)9+6 +9.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -71.1557
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La5(OH)9+6
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 La+++ + 1.0000 CH3COOH  =  LaCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.2063
+	-delta_H	-12.5938	kJ/mol	# Calculated enthalpy of reaction	LaCH3COO+2
+#	Enthalpy of formation:	-288.71 kcal/mol
+        -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 HCO3-  =  LaCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.212
+	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	LaCO3+
+#	Enthalpy of formation:	-313.1 kcal/mol
+        -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 Cl-  =  LaCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	LaCl+2
+#	Enthalpy of formation:	-206.1 kcal/mol
+        -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 La+++  =  LaCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	19.1041	kJ/mol	# Calculated enthalpy of reaction	LaCl2+
+#	Enthalpy of formation:	-244.9 kcal/mol
+        -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 La+++  =  LaCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3936
+	-delta_H	12.5478	kJ/mol	# Calculated enthalpy of reaction	LaCl3
+#	Enthalpy of formation:	-286.4 kcal/mol
+        -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 La+++  =  LaCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.818
+	-delta_H	-7.81571	kJ/mol	# Calculated enthalpy of reaction	LaCl4-
+#	Enthalpy of formation:	-331.2 kcal/mol
+        -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 F-  =  LaF++
+        -llnl_gamma           4.5    
+        log_k           +3.8556
+	-delta_H	26.5684	kJ/mol	# Calculated enthalpy of reaction	LaF+2
+#	Enthalpy of formation:	-243.4 kcal/mol
+        -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 La+++  =  LaF2+
+        -llnl_gamma           4.0    
+        log_k           +6.6850
+	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	LaF2+
+#	Enthalpy of formation:	-325.2 kcal/mol
+        -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 La+++  =  LaF3
+        -llnl_gamma           3.0    
+        log_k           +8.7081
+	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	LaF3
+#	Enthalpy of formation:	-410.2 kcal/mol
+        -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 La+++  =  LaF4-
+        -llnl_gamma           4.0    
+        log_k           +10.3647
+	-delta_H	-41.4216	kJ/mol	# Calculated enthalpy of reaction	LaF4-
+#	Enthalpy of formation:	-500.1 kcal/mol
+        -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+  =  LaH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.7417
+	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	LaH2PO4+2
+#	Enthalpy of formation:	-482.8 kcal/mol
+        -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 HCO3-  =  LaHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.9923
+	-delta_H	6.68603	kJ/mol	# Calculated enthalpy of reaction	LaHCO3+2
+#	Enthalpy of formation:	-332.9 kcal/mol
+        -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 HPO4--  =  LaHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 La+++  =  LaNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.5813
+	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	LaNO3+2
+#	Enthalpy of formation:	-226 kcal/mol
+        -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 H2O  =  LaO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -18.1696
+	-delta_H	121.407	kJ/mol	# Calculated enthalpy of reaction	LaO+
+#	Enthalpy of formation:	-208.9 kcal/mol
+        -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 La+++  =  LaO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -40.8105
+	-delta_H	318.126	kJ/mol	# Calculated enthalpy of reaction	LaO2-
+#	Enthalpy of formation:	-230.2 kcal/mol
+        -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 La+++  =  LaO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -27.9095
+	-delta_H	237.375	kJ/mol	# Calculated enthalpy of reaction	LaO2H
+#	Enthalpy of formation:	-249.5 kcal/mol
+        -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 H2O  =  LaOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -8.6405
+	-delta_H	82.4959	kJ/mol	# Calculated enthalpy of reaction	LaOH+2
+#	Enthalpy of formation:	-218.2 kcal/mol
+        -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001
+#       -Range:  0-300
+
+1.0000 La+++ + 1.0000 HPO4--  =  LaPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -1.3618
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 La+++  =  LaSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	18.4096	kJ/mol	# Calculated enthalpy of reaction	LaSO4+
+#	Enthalpy of formation:	-382.6 kcal/mol
+        -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Li+  =  Li(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.2674
+	-delta_H	-24.7609	kJ/mol	# Calculated enthalpy of reaction	Li(CH3COO)2-
+#	Enthalpy of formation:	-304.67 kcal/mol
+        -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002
+#       -Range:  0-300
+
+1.0000 Li+ + 1.0000 CH3COOH  =  LiCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.4589
+	-delta_H	-6.64419	kJ/mol	# Calculated enthalpy of reaction	LiCH3COO
+#	Enthalpy of formation:	-184.24 kcal/mol
+        -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005
+#       -Range:  0-300
+
+1.0000 Li+ + 1.0000 Cl-  =  LiCl
+        -llnl_gamma           3.0    
+        log_k           -1.5115
+	-delta_H	3.36812	kJ/mol	# Calculated enthalpy of reaction	LiCl
+#	Enthalpy of formation:	-105.68 kcal/mol
+        -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001
+#       -Range:  0-300
+
+1.0000 Li+ + 1.0000 H2O  =  LiOH +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -13.64
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiOH
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Li+  =  LiSO4-
+        -llnl_gamma           4.0    
+        log_k           +0.7700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiSO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Lu+++  =  Lu(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9625
+	-delta_H	-38.5346	kJ/mol	# Calculated enthalpy of reaction	Lu(CH3COO)2+
+#	Enthalpy of formation:	-409.31 kcal/mol
+        -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Lu+++  =  Lu(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3489
+	-delta_H	-64.5173	kJ/mol	# Calculated enthalpy of reaction	Lu(CH3COO)3
+#	Enthalpy of formation:	-531.62 kcal/mol
+        -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Lu+++  =  Lu(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -6.8576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +10.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.7437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Lu+++  =  Lu(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Lu+++ + 1.0000 CH3COOH  =  LuCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1037
+	-delta_H	-18.9703	kJ/mol	# Calculated enthalpy of reaction	LuCH3COO+2
+#	Enthalpy of formation:	-288.534 kcal/mol
+        -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 HCO3-  =  LuCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.0392
+	-delta_H	78.2324	kJ/mol	# Calculated enthalpy of reaction	LuCO3+
+#	Enthalpy of formation:	-314.1 kcal/mol
+        -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 Cl-  =  LuCl++
+        -llnl_gamma           4.5    
+        log_k           -0.0579
+	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	LuCl+2
+#	Enthalpy of formation:	-204.6 kcal/mol
+        -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Lu+++  =  LuCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.6289
+	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	LuCl2+
+#	Enthalpy of formation:	-244 kcal/mol
+        -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Lu+++  =  LuCl3
+        -llnl_gamma           3.0    
+        log_k           -1.1999
+	-delta_H	3.56895	kJ/mol	# Calculated enthalpy of reaction	LuCl3
+#	Enthalpy of formation:	-286.846 kcal/mol
+        -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Lu+++  =  LuCl4-
+        -llnl_gamma           4.0    
+        log_k           -1.771
+	-delta_H	-25.8069	kJ/mol	# Calculated enthalpy of reaction	LuCl4-
+#	Enthalpy of formation:	-333.8 kcal/mol
+        -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 F-  =  LuF++
+        -llnl_gamma           4.5    
+        log_k           +4.8085
+	-delta_H	25.7316	kJ/mol	# Calculated enthalpy of reaction	LuF+2
+#	Enthalpy of formation:	-241.9 kcal/mol
+        -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Lu+++  =  LuF2+
+        -llnl_gamma           4.0    
+        log_k           +8.4442
+	-delta_H	14.2256	kJ/mol	# Calculated enthalpy of reaction	LuF2+
+#	Enthalpy of formation:	-324.8 kcal/mol
+        -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Lu+++  =  LuF3
+        -llnl_gamma           3.0    
+        log_k           +11.0999
+	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	LuF3
+#	Enthalpy of formation:	-411.3 kcal/mol
+        -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Lu+++  =  LuF4-
+        -llnl_gamma           4.0    
+        log_k           +13.2967
+	-delta_H	-64.0152	kJ/mol	# Calculated enthalpy of reaction	LuF4-
+#	Enthalpy of formation:	-503.8 kcal/mol
+        -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+  =  LuH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.5950
+	-delta_H	-23.786	kJ/mol	# Calculated enthalpy of reaction	LuH2PO4+2
+#	Enthalpy of formation:	-482.4 kcal/mol
+        -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 HCO3-  =  LuHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.9190
+	-delta_H	1.66523	kJ/mol	# Calculated enthalpy of reaction	LuHCO3+2
+#	Enthalpy of formation:	-332.4 kcal/mol
+        -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 HPO4--  =  LuHPO4+
+        -llnl_gamma           4.0    
+        log_k           +6.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Lu+++  =  LuNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.5813
+	-delta_H	-41.7187	kJ/mol	# Calculated enthalpy of reaction	LuNO3+2
+#	Enthalpy of formation:	-227.3 kcal/mol
+        -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 H2O  =  LuO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.3108
+	-delta_H	99.6503	kJ/mol	# Calculated enthalpy of reaction	LuO+
+#	Enthalpy of formation:	-212.4 kcal/mol
+        -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Lu+++  =  LuO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -31.9411
+	-delta_H	258.713	kJ/mol	# Calculated enthalpy of reaction	LuO2-
+#	Enthalpy of formation:	-242.7 kcal/mol
+        -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Lu+++  =  LuO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -23.878
+	-delta_H	206.832	kJ/mol	# Calculated enthalpy of reaction	LuO2H
+#	Enthalpy of formation:	-255.1 kcal/mol
+        -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 H2O  =  LuOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.6143
+	-delta_H	72.0359	kJ/mol	# Calculated enthalpy of reaction	LuOH+2
+#	Enthalpy of formation:	-219 kcal/mol
+        -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001
+#       -Range:  0-300
+
+1.0000 Lu+++ + 1.0000 HPO4--  =  LuPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.6782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Lu+++  =  LuSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5697
+	-delta_H	19.5393	kJ/mol	# Calculated enthalpy of reaction	LuSO4+
+#	Enthalpy of formation:	-380.63 kcal/mol
+        -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Mg++  =  Mg(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.473
+	-delta_H	-23.8195	kJ/mol	# Calculated enthalpy of reaction	Mg(CH3COO)2
+#	Enthalpy of formation:	-349.26 kcal/mol
+        -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005
+#       -Range:  0-300
+
+4.0000 Mg++ + 4.0000 H2O  =  Mg4(OH)4++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -39.75
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3  =  MgB(OH)4+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.3467
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgB(OH)4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mg++ + 1.0000 CH3COOH  =  MgCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.4781
+	-delta_H	-8.42239	kJ/mol	# Calculated enthalpy of reaction	MgAcetate+
+#	Enthalpy of formation:	-229.48 kcal/mol
+        -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 HCO3-  =  MgCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.3499
+	-delta_H	23.8279	kJ/mol	# Calculated enthalpy of reaction	MgCO3
+#	Enthalpy of formation:	-270.57 kcal/mol
+        -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 Cl-  =  MgCl+
+        -llnl_gamma           4.0    
+        log_k           -0.1349
+	-delta_H	-0.58576	kJ/mol	# Calculated enthalpy of reaction	MgCl+
+#	Enthalpy of formation:	-151.44 kcal/mol
+        -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 F-  =  MgF+
+        -llnl_gamma           4.0    
+        log_k           +1.3524
+	-delta_H	2.37233	kJ/mol	# Calculated enthalpy of reaction	MgF+
+#	Enthalpy of formation:	-190.95 kcal/mol
+        -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+  =  MgH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +1.6600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mg++ + 1.0000 HCO3-  =  MgHCO3+
+        -llnl_gamma           4.0    
+        log_k           +1.0357
+	-delta_H	2.15476	kJ/mol	# Calculated enthalpy of reaction	MgHCO3+
+#	Enthalpy of formation:	-275.75 kcal/mol
+        -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 HPO4--  =  MgHPO4
+        -llnl_gamma           3.0    
+        log_k           +2.9100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Mg++  =  MgP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +3.4727
+	-delta_H	38.5451	kJ/mol	# Calculated enthalpy of reaction	MgP2O7-2
+#	Enthalpy of formation:	-2725.74 kJ/mol
+        -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002
+#       -Range:  0-300
+
+1.0000 Mg++ + 1.0000 HPO4--  =  MgPO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.7328
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Mg++  =  MgSO4
+        -llnl_gamma           3.0    
+        log_k           +2.4117
+	-delta_H	19.6051	kJ/mol	# Calculated enthalpy of reaction	MgSO4
+#	Enthalpy of formation:	-1355.96 kJ/mol
+        -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001
+#       -Range:  0-200
+
+2.0000 CH3COOH + 1.0000 Mn++  =  Mn(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.4547
+	-delta_H	-11.4893	kJ/mol	# Calculated enthalpy of reaction	Mn(CH3COO)2
+#	Enthalpy of formation:	-287.67 kcal/mol
+        -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Mn++  =  Mn(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.8747
+	-delta_H	-30.3591	kJ/mol	# Calculated enthalpy of reaction	Mn(CH3COO)3-
+#	Enthalpy of formation:	-408.28 kcal/mol
+        -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006
+#       -Range:  0-300
+
+2.0000 NO3- + 1.0000 Mn++  =  Mn(NO3)2
+        -llnl_gamma           3.0    
+        log_k           +0.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(NO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Mn++  =  Mn(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -22.2
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Mn++  =  Mn(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -34.2278
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Mn++  =  Mn(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -48.3
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 2.0000 Mn++  =  Mn2(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -23.9
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2(OH)3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Mn++ + 1.0000 H2O  =  Mn2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -10.56
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 CH3COOH  =  MnCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.5404
+	-delta_H	-3.07942	kJ/mol	# Calculated enthalpy of reaction	MnCH3COO+
+#	Enthalpy of formation:	-169.56 kcal/mol
+        -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005
+#       -Range:  0-300
+
+1.0000 Mn++ + 1.0000 HCO3-  =  MnCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -5.8088
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 Cl-  =  MnCl+
+        -llnl_gamma           4.0    
+        log_k           +0.3013
+	-delta_H	18.3134	kJ/mol	# Calculated enthalpy of reaction	MnCl+
+#	Enthalpy of formation:	-88.28 kcal/mol
+        -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Mn++  =  MnCl3-
+        -llnl_gamma           4.0    
+        log_k           -0.3324
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCl3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 F-  =  MnF+
+        -llnl_gamma           4.0    
+        log_k           +1.4300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+  =  MnH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +8.5554
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 HCO3-  =  MnHCO3+
+        -llnl_gamma           4.0    
+        log_k           +0.8816
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 HPO4--  =  MnHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.5800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 NO3- + 1.0000 Mn++  =  MnNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.5000 H2O + 1.2500 O2 + 1.0000 Mn++  =  MnO4- +3.0000 H+
+        -llnl_gamma           3.5    
+        log_k           -20.2963
+	-delta_H	123.112	kJ/mol	# Calculated enthalpy of reaction	MnO4-
+#	Enthalpy of formation:	-129.4 kcal/mol
+        -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005
+#       -Range:  0-300
+
+1.0000 Mn++ + 1.0000 H2O  =  MnOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.59
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Mn++ + 1.0000 HPO4--  =  MnPO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.1318
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Mn++  =  MnSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3529
+	-delta_H	14.1168	kJ/mol	# Calculated enthalpy of reaction	MnSO4
+#	Enthalpy of formation:	-266.75 kcal/mol
+        -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002
+#       -Range:  0-300
+
+1.0000 SeO4-- + 1.0000 Mn++  =  MnSeO4
+        -llnl_gamma           3.0    
+        log_k           +2.4300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 NH3  =  NH4(CH3COO)2- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -0.1928
+	-delta_H	-56.735	kJ/mol	# Calculated enthalpy of reaction	NH4(CH3COO)2-
+#	Enthalpy of formation:	-265.2 kcal/mol
+        -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006
+#       -Range:  0-300
+
+1.0000 NH3 + 1.0000 H+  =  NH4+
+        -llnl_gamma           2.5    
+        log_k           +9.2410
+	-delta_H	-51.9234	kJ/mol	# Calculated enthalpy of reaction	NH4+
+#	Enthalpy of formation:	-31.85 kcal/mol
+        -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001
+#       -Range:  0-300
+
+1.0000 NH3 + 1.0000 CH3COOH  =  NH4CH3COO
+        -llnl_gamma           3.0    
+        log_k           +4.6964
+	-delta_H	-48.911	kJ/mol	# Calculated enthalpy of reaction	NH4CH3COO
+#	Enthalpy of formation:	-147.23 kcal/mol
+        -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+  =  NH4SO4-
+        -llnl_gamma           4.0    
+        log_k           +0.9400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sb(OH)3 + 1.0000 NH3  =  NH4SbO2 +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           -2.5797
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SbO2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Na+  =  Na(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.9989
+	-delta_H	-11.5771	kJ/mol	# Calculated enthalpy of reaction	Na(CH3COO)2-
+#	Enthalpy of formation:	-292.4 kcal/mol
+        -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002
+#       -Range:  0-300
+
+1.0000 O_phthalate-2 + 1.0000 Na+  =  Na(O_phthalate)-
+        -llnl_gamma           4.0    
+        log_k           +0.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na(O_phthalate)-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Na+ + 2.0000 HPO4--  =  Na2P2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +0.4437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2P2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++  =  NaAlO2 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -23.6266
+	-delta_H	190.326	kJ/mol	# Calculated enthalpy of reaction	NaAlO2
+#	Enthalpy of formation:	-277.259 kcal/mol
+        -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3  =  NaB(OH)4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.974
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaB(OH)4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Na+ + 1.0000 Br-  =  NaBr
+        -llnl_gamma           3.0    
+        log_k           -1.3568
+	-delta_H	6.87431	kJ/mol	# Calculated enthalpy of reaction	NaBr
+#	Enthalpy of formation:	-84.83 kcal/mol
+        -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 CH3COOH  =  NaCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.8606
+	-delta_H	-0.029288	kJ/mol	# Calculated enthalpy of reaction	NaCH3COO
+#	Enthalpy of formation:	-173.54 kcal/mol
+        -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 HCO3-  =  NaCO3- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.8144
+	-delta_H	-5.6521	kJ/mol	# Calculated enthalpy of reaction	NaCO3-
+#	Enthalpy of formation:	-935.885 kJ/mol
+        -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 Cl-  =  NaCl
+        -llnl_gamma           3.0    
+        log_k           -0.777
+	-delta_H	5.21326	kJ/mol	# Calculated enthalpy of reaction	NaCl
+#	Enthalpy of formation:	-96.12 kcal/mol
+        -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 F-  =  NaF
+        -llnl_gamma           3.0    
+        log_k           -0.9976
+	-delta_H	7.20903	kJ/mol	# Calculated enthalpy of reaction	NaF
+#	Enthalpy of formation:	-135.86 kcal/mol
+        -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 HCO3-  =  NaHCO3
+        -llnl_gamma           3.0    
+        log_k           +0.1541
+	-delta_H	-13.7741	kJ/mol	# Calculated enthalpy of reaction	NaHCO3
+#	Enthalpy of formation:	-944.007 kJ/mol
+        -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001
+#       -Range:  0-200
+
+2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+  =  NaHP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +6.8498
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Na+ + 1.0000 HPO4--  =  NaHPO4-
+        -llnl_gamma           4.0    
+        log_k           +0.9200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O  =  NaHSiO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.304
+	-delta_H	11.6524	kJ/mol	# Calculated enthalpy of reaction	NaHSiO3
+#	Enthalpy of formation:	-332.74 kcal/mol
+        -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 I-  =  NaI
+        -llnl_gamma           3.0    
+        log_k           -1.54
+	-delta_H	7.33455	kJ/mol	# Calculated enthalpy of reaction	NaI
+#	Enthalpy of formation:	-69.28 kcal/mol
+        -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001
+#       -Range:  0-300
+
+1.0000 Na+ + 1.0000 H2O  =  NaOH +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -14.7948
+	-delta_H	53.6514	kJ/mol	# Calculated enthalpy of reaction	NaOH
+#	Enthalpy of formation:	-112.927 kcal/mol
+        -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001
+#       -Range:  0-300
+
+2.0000 HPO4-- + 1.0000 Na+  =  NaP2O7--- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           -1.4563
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaP2O7-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Na+  =  NaSO4-
+        -llnl_gamma           4.0    
+        log_k           +0.8200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaSO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Nd+++  =  Nd(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9771
+	-delta_H	-22.6354	kJ/mol	# Calculated enthalpy of reaction	Nd(CH3COO)2+
+#	Enthalpy of formation:	-404.11 kcal/mol
+        -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Nd+++  =  Nd(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.2976
+	-delta_H	-38.8694	kJ/mol	# Calculated enthalpy of reaction	Nd(CH3COO)3
+#	Enthalpy of formation:	-524.09 kcal/mol
+        -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Nd+++  =  Nd(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.0576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with NdO2-
+#4.0000 H2O + 1.0000 Nd+++  =  Nd(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -37.0803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)4-
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.1437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Nd+++  =  Nd(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           -255.7478
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Nd+++ + 2.0000 H2O  =  Nd2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -13.8902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Nd+++ + 1.0000 CH3COOH  =  NdCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.0891
+	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	NdCH3COO+2
+#	Enthalpy of formation:	-285.47 kcal/mol
+        -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 HCO3-  =  NdCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.6256
+	-delta_H	91.6212	kJ/mol	# Calculated enthalpy of reaction	NdCO3+
+#	Enthalpy of formation:	-309.5 kcal/mol
+        -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 Cl-  =  NdCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	NdCl+2
+#	Enthalpy of formation:	-203 kcal/mol
+        -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Nd+++  =  NdCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.0308
+	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	NdCl2+
+#	Enthalpy of formation:	-241.5 kcal/mol
+        -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Nd+++  =  NdCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3203
+	-delta_H	15.0582	kJ/mol	# Calculated enthalpy of reaction	NdCl3
+#	Enthalpy of formation:	-282.7 kcal/mol
+        -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Nd+++  =  NdCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.7447
+	-delta_H	-3.21331	kJ/mol	# Calculated enthalpy of reaction	NdCl4-
+#	Enthalpy of formation:	-327 kcal/mol
+        -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 F-  =  NdF++
+        -llnl_gamma           4.5    
+        log_k           +4.3687
+	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	NdF+2
+#	Enthalpy of formation:	-241.2 kcal/mol
+        -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Nd+++  =  NdF2+
+        -llnl_gamma           4.0    
+        log_k           +7.5646
+	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	NdF2+
+#	Enthalpy of formation:	-323.5 kcal/mol
+        -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Nd+++  =  NdF3
+        -llnl_gamma           3.0    
+        log_k           +9.8809
+	-delta_H	-8.1588	kJ/mol	# Calculated enthalpy of reaction	NdF3
+#	Enthalpy of formation:	-408.9 kcal/mol
+        -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Nd+++  =  NdF4-
+        -llnl_gamma           4.0    
+        log_k           +11.8307
+	-delta_H	-48.5344	kJ/mol	# Calculated enthalpy of reaction	NdF4-
+#	Enthalpy of formation:	-498.7 kcal/mol
+        -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+  =  NdH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.5152
+	-delta_H	-15.736	kJ/mol	# Calculated enthalpy of reaction	NdH2PO4+2
+#	Enthalpy of formation:	-479.076 kcal/mol
+        -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 HCO3-  =  NdHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.8457
+	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	NdHCO3+2
+#	Enthalpy of formation:	-329.2 kcal/mol
+        -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 HPO4--  =  NdHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Nd+++ + 1.0000 NO3-  =  NdNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.7902
+	-delta_H	-27.8529	kJ/mol	# Calculated enthalpy of reaction	NdNO3+2
+#	Enthalpy of formation:	-222.586 kcal/mol
+        -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 H2O  =  NdO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.0701
+	-delta_H	116.386	kJ/mol	# Calculated enthalpy of reaction	NdO+
+#	Enthalpy of formation:	-207 kcal/mol
+        -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002
+#       -Range:  0-300
+2.0000 H2O + 1.0000 Nd+++  =  NdO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -37.0721
+	-delta_H	298.88	kJ/mol	# Calculated enthalpy of reaction	NdO2-
+#	Enthalpy of formation:	-231.7 kcal/mol
+        -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Nd+++  =  NdO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -26.3702
+	-delta_H	230.681	kJ/mol	# Calculated enthalpy of reaction	NdO2H
+#	Enthalpy of formation:	-248 kcal/mol
+        -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 H2O  =  NdOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -8.1274
+	-delta_H	80.8223	kJ/mol	# Calculated enthalpy of reaction	NdOH+2
+#	Enthalpy of formation:	-215.5 kcal/mol
+        -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001
+#       -Range:  0-300
+
+1.0000 Nd+++ + 1.0000 HPO4--  =  NdPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.5218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Nd+++  =  NdSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	NdSO4+
+#	Enthalpy of formation:	-379.1 kcal/mol
+        -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Ni++  =  Ni(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.1908
+	-delta_H	-25.8571	kJ/mol	# Calculated enthalpy of reaction	Ni(CH3COO)2
+#	Enthalpy of formation:	-251.28 kcal/mol
+        -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Ni++  =  Ni(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.3543
+	-delta_H	-53.6807	kJ/mol	# Calculated enthalpy of reaction	Ni(CH3COO)3-
+#	Enthalpy of formation:	-374.03 kcal/mol
+        -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006
+#       -Range:  0-300
+
+2.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)2++
+        -llnl_gamma           4.5    
+        log_k           +5.0598
+	-delta_H	-29.7505	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)2+2
+#	Enthalpy of formation:	-246.398 kJ/mol
+        -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001
+#       -Range:  0-300
+
+6.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)6++
+        -llnl_gamma           4.5    
+        log_k           +8.7344
+	-delta_H	-88.0436	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)6+2
+#	Enthalpy of formation:	-630.039 kJ/mol
+        -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001
+#       -Range:  0-300
+
+2.0000 NO3- + 1.0000 Ni++  =  Ni(NO3)2
+        -llnl_gamma           3.0    
+        log_k           +0.1899
+	-delta_H	-1.54153	kJ/mol	# Calculated enthalpy of reaction	Ni(NO3)2
+#	Enthalpy of formation:	-469.137 kJ/mol
+        -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001
+#       -Range:  0-200
+
+2.0000 H2O + 1.0000 Ni++  =  Ni(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -19.9902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Ni++  =  Ni(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -30.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Ni++ + 1.0000 H2O  =  Ni2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -10.7
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Ni++ + 4.0000 H2O  =  Ni4(OH)4++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -27.6803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ni++ + 1.0000 Br-  =  NiBr+
+        -llnl_gamma           4.0    
+        log_k           -0.37
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiBr+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ni++ + 1.0000 CH3COOH  =  NiCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.3278
+	-delta_H	-10.2508	kJ/mol	# Calculated enthalpy of reaction	NiCH3COO+
+#	Enthalpy of formation:	-131.45 kcal/mol
+        -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005
+#       -Range:  0-300
+
+1.0000 Ni++ + 1.0000 Cl-  =  NiCl+
+        -llnl_gamma           4.0    
+        log_k           -0.9962
+	-delta_H	5.99567	kJ/mol	# Calculated enthalpy of reaction	NiCl+
+#	Enthalpy of formation:	-51.4 kcal/mol
+        -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001
+#       -Range:  0-300
+
+2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+  =  NiHP2O7- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +9.2680
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiHP2O7-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ni++ + 1.0000 NO3-  =  NiNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Ni++  =  NiP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +3.1012
+	-delta_H	9.68819	kJ/mol	# Calculated enthalpy of reaction	NiP2O7-2
+#	Enthalpy of formation:	-2342.61 kJ/mol
+        -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 Ni++  =  NiSO4
+        -llnl_gamma           3.0    
+        log_k           +2.1257
+	-delta_H	2.36814	kJ/mol	# Calculated enthalpy of reaction	NiSO4
+#	Enthalpy of formation:	-229.734 kcal/mol
+        -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001
+#       -Range:  0-200
+
+1.0000 SeO4-- + 1.0000 Ni++  =  NiSeO4
+        -llnl_gamma           3.0    
+        log_k           +2.6700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiSeO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 HCO3- + 1.0000 Np++++  =  Np(CO3)5-6 +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -13.344
+	-delta_H	92.7067	kJ/mol	# Calculated enthalpy of reaction	Np(CO3)5-6
+#	Enthalpy of formation:	-935.22 kcal/mol
+        -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002
+#       -Range:  0-300
+
+2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)2+
+        -llnl_gamma           4.0    
+        log_k           +3.7000
+	-delta_H	-1.55258	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)2+
+#	Enthalpy of formation:	-743.981 kcal/mol
+        -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002
+#       -Range: 25-150
+
+3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)3
+        -llnl_gamma           3.0    
+        log_k           +5.6000
+	-delta_H	-21.8575	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)3
+#	Enthalpy of formation:	-1057.65 kcal/mol
+        -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002
+#       -Range: 25-150
+
+2.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)2
+        -llnl_gamma           3.0    
+        log_k           +23.7000
+	-delta_H	-35.24	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
+#	Enthalpy of formation:	-758.94 kcal/mol
+        -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001
+#       -Range: 25-150
+
+3.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)3--
+        -llnl_gamma           4.0    
+        log_k           +33.4000
+	-delta_H	-44.9093	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)3-2
+#	Enthalpy of formation:	-1070.07 kcal/mol
+        -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002
+#       -Range: 25-150
+
+4.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)4----
+        -llnl_gamma           4.0    
+        log_k           +43.2000
+	-delta_H	-67.0803	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)4-4
+#	Enthalpy of formation:	-1384.18 kcal/mol
+        -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003
+#       -Range: 25-150
+
+5.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)5-6
+        -llnl_gamma           4.0    
+        log_k           +52.0000
+	-delta_H	-83.5401	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)5-6
+#	Enthalpy of formation:	-1696.93 kcal/mol
+        -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003
+#       -Range: 25-150
+
+2.0000 H2O + 1.0000 Np++++  =  Np(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.8
+	-delta_H	77.0669	kJ/mol	# Calculated enthalpy of reaction	Np(OH)2+2
+#	Enthalpy of formation:	-251.102 kcal/mol
+        -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003
+#       -Range: 25-150
+
+3.0000 H2O + 1.0000 Np++++  =  Np(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.8
+	-delta_H	99.5392	kJ/mol	# Calculated enthalpy of reaction	Np(OH)3+
+#	Enthalpy of formation:	-314.048 kcal/mol
+        -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003
+#       -Range: 25-150
+
+4.0000 H2O + 1.0000 Np++++  =  Np(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -9.6
+	-delta_H	109.585	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
+#	Enthalpy of formation:	-379.964 kcal/mol
+        -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003
+#       -Range: 25-150
+
+2.0000 SO4-- + 1.0000 Np++++  =  Np(SO4)2
+        -llnl_gamma           3.0    
+        log_k           +9.9000
+	-delta_H	40.005	kJ/mol	# Calculated enthalpy of reaction	Np(SO4)2
+#	Enthalpy of formation:	-558.126 kcal/mol
+        -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002
+#       -Range: 25-150
+
+1.0000 Np++++ + 1.0000 Cl-  =  NpCl+++
+        -llnl_gamma           5.0    
+        log_k           +0.2000
+	-delta_H	20.3737	kJ/mol	# Calculated enthalpy of reaction	NpCl+3
+#	Enthalpy of formation:	-167.951 kcal/mol
+        -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002
+#       -Range: 25-150
+
+2.0000 Cl- + 1.0000 Np++++  =  NpCl2++
+        -llnl_gamma           4.5    
+        log_k           -0.1
+	-delta_H	94.5853	kJ/mol	# Calculated enthalpy of reaction	NpCl2+2
+#	Enthalpy of formation:	-190.147 kcal/mol
+        -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002
+#       -Range: 25-150
+
+1.0000 Np++++ + 1.0000 F-  =  NpF+++
+        -llnl_gamma           5.0    
+        log_k           +8.7000
+	-delta_H	-3.43746	kJ/mol	# Calculated enthalpy of reaction	NpF+3
+#	Enthalpy of formation:	-213.859 kcal/mol
+        -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005
+#       -Range: 25-150
+
+2.0000 F- + 1.0000 Np++++  =  NpF2++
+        -llnl_gamma           4.5    
+        log_k           +15.4000
+	-delta_H	6.03094	kJ/mol	# Calculated enthalpy of reaction	NpF2+2
+#	Enthalpy of formation:	-291.746 kcal/mol
+        -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002
+#       -Range: 25-150
+
+1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+  =  NpH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +2.4000
+	-delta_H	6.0874	kJ/mol	# Calculated enthalpy of reaction	NpH2PO4+2
+#	Enthalpy of formation:	-433.34 kcal/mol
+        -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003
+#       -Range: 25-150
+
+1.0000 Np++++ + 1.0000 HPO4--  =  NpHPO4++
+        -llnl_gamma           4.5    
+        log_k           +12.9000
+	-delta_H	7.54554	kJ/mol	# Calculated enthalpy of reaction	NpHPO4+2
+#	Enthalpy of formation:	-439.899 kcal/mol
+        -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003
+#       -Range: 25-150
+
+2.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -6.6576
+	-delta_H	57.2588	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-2
+#	Enthalpy of formation:	-521.77 kcal/mol
+        -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -13.6576
+	-delta_H	58.1553	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-3
+#	Enthalpy of formation:	-549.642 kcal/mol
+        -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002
+#       -Range:  0-300
+
+3.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)3-5 +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -22.4864
+	-delta_H	70.176	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-5
+#	Enthalpy of formation:	-711.667 kcal/mol
+        -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002
+#       -Range:  0-300
+
+3.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)3---- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.5864
+	-delta_H	3.14711	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-4
+#	Enthalpy of formation:	-699.601 kcal/mol
+        -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002
+#       -Range:  0-300
+
+1.0000 NpO2+ + 1.0000 HCO3-  =  NpO2CO3- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.7288
+	-delta_H	69.1634	kJ/mol	# Calculated enthalpy of reaction	NpO2CO3-
+#	Enthalpy of formation:	-382.113 kcal/mol
+        -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002
+#       -Range:  0-300
+
+1.0000 NpO2+ + 1.0000 Cl-  =  NpO2Cl
+        -llnl_gamma           3.0    
+        log_k           -0.4
+	-delta_H	15.4492	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl
+#	Enthalpy of formation:	-269.986 kcal/mol
+        -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002
+#       -Range: 25-150
+
+1.0000 NpO2++ + 1.0000 Cl-  =  NpO2Cl+
+        -llnl_gamma           4.0    
+        log_k           -0.2
+	-delta_H	11.6239	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl+
+#	Enthalpy of formation:	-242.814 kcal/mol
+        -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002
+#       -Range: 25-150
+
+1.0000 NpO2+ + 1.0000 F-  =  NpO2F
+        -llnl_gamma           3.0    
+        log_k           +1.0000
+	-delta_H	34.2521	kJ/mol	# Calculated enthalpy of reaction	NpO2F
+#	Enthalpy of formation:	-305.709 kcal/mol
+        -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001
+#       -Range: 25-150
+
+1.0000 NpO2++ + 1.0000 F-  =  NpO2F+
+        -llnl_gamma           4.0    
+        log_k           +4.6000
+	-delta_H	0.883568	kJ/mol	# Calculated enthalpy of reaction	NpO2F+
+#	Enthalpy of formation:	-285.598 kcal/mol
+        -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002
+#       -Range: 25-150
+
+2.0000 F- + 1.0000 NpO2++  =  NpO2F2
+        -llnl_gamma           3.0    
+        log_k           +7.8000
+	-delta_H	2.60319	kJ/mol	# Calculated enthalpy of reaction	NpO2F2
+#	Enthalpy of formation:	-365.337 kcal/mol
+        -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001
+#       -Range: 25-150
+
+1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4
+        -llnl_gamma           3.0    
+        log_k           +0.6000
+	-delta_H	18.717	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4
+#	Enthalpy of formation:	-538.087 kcal/mol
+        -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002
+#       -Range: 25-150
+
+1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4+
+        -llnl_gamma           4.0    
+        log_k           +2.3000
+	-delta_H	9.31014	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4+
+#	Enthalpy of formation:	-512.249 kcal/mol
+        -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003
+#       -Range: 25-150
+
+1.0000 NpO2++ + 1.0000 HPO4--  =  NpO2HPO4
+        -llnl_gamma           3.0    
+        log_k           +8.2000
+	-delta_H	-6.47609	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4
+#	Enthalpy of formation:	-516.022 kcal/mol
+        -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003
+#       -Range: 25-150
+
+1.0000 NpO2+ + 1.0000 HPO4--  =  NpO2HPO4-
+        -llnl_gamma           4.0    
+        log_k           +3.5000
+	-delta_H	49.8668	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4-
+#	Enthalpy of formation:	-530.642 kcal/mol
+        -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003
+#       -Range: 25-150
+
+1.0000 NpO2+ + 1.0000 H2O  =  NpO2OH +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.9
+	-delta_H	43.6285	kJ/mol	# Calculated enthalpy of reaction	NpO2OH
+#	Enthalpy of formation:	-291.635 kcal/mol
+        -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002
+#       -Range: 25-150
+
+1.0000 NpO2++ + 1.0000 H2O  =  NpO2OH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.2
+	-delta_H	43.3805	kJ/mol	# Calculated enthalpy of reaction	NpO2OH+
+#	Enthalpy of formation:	-263.608 kcal/mol
+        -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002
+#       -Range: 25-150
+
+1.0000 SO4-- + 1.0000 NpO2++  =  NpO2SO4
+        -llnl_gamma           3.0    
+        log_k           +3.3000
+	-delta_H	19.8789	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4
+#	Enthalpy of formation:	-418.308 kcal/mol
+        -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002
+#       -Range: 25-150
+
+1.0000 SO4-- + 1.0000 NpO2+  =  NpO2SO4-
+        -llnl_gamma           4.0    
+        log_k           +0.4000
+	-delta_H	19.1395	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4-
+#	Enthalpy of formation:	-446.571 kcal/mol
+        -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002
+#       -Range: 25-150
+
+1.0000 Np+++ + 1.0000 H2O  =  NpOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7
+	-delta_H	50.1031	kJ/mol	# Calculated enthalpy of reaction	NpOH+2
+#	Enthalpy of formation:	-182.322 kcal/mol
+        -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002
+#       -Range: 25-150
+
+1.0000 Np++++ + 1.0000 H2O  =  NpOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -1
+	-delta_H	51.0089	kJ/mol	# Calculated enthalpy of reaction	NpOH+3
+#	Enthalpy of formation:	-189.013 kcal/mol
+        -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001
+#       -Range: 25-150
+
+1.0000 SO4-- + 1.0000 Np++++  =  NpSO4++
+        -llnl_gamma           4.5    
+        log_k           +5.5000
+	-delta_H	20.7377	kJ/mol	# Calculated enthalpy of reaction	NpSO4+2
+#	Enthalpy of formation:	-345.331 kcal/mol
+        -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002
+#       -Range: 25-150
+
+1.0000 H2O  =  OH- +1.0000 H+
+        -llnl_gamma           3.5    
+        log_k           -13.9951
+	-delta_H	55.8146	kJ/mol	# Calculated enthalpy of reaction	OH-
+#	Enthalpy of formation:	-54.977 kcal/mol
+        -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001
+#       -Range:  0-300
+
+2.0000 HPO4--  =  P2O7---- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           -3.7463
+	-delta_H	27.2256	kJ/mol	# Calculated enthalpy of reaction	P2O7-4
+#	Enthalpy of formation:	-2271.1 kJ/mol
+        -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002
+#       -Range:  0-300
+
+3.0000 H+ + 1.0000 HPO4--  =  PH4+ +2.0000 O2
+        -llnl_gamma           4.0    
+        log_k           -212.7409
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PH4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4-- + 1.0000 H+ + 1.0000 F-  =  PO3F-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +7.1993
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PO3F-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HPO4--  =  PO4--- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -12.3218
+	-delta_H	14.7068	kJ/mol	# Calculated enthalpy of reaction	PO4-3
+#	Enthalpy of formation:	-305.3 kcal/mol
+        -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000
+#       -Range:  0-300
+
+2.0000 BrO3- + 1.0000 Pb++  =  Pb(BrO3)2
+        -llnl_gamma           3.0    
+        log_k           +5.1939
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(BrO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Pb++  =  Pb(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.1133
+	-delta_H	10.5437	kJ/mol	# Calculated enthalpy of reaction	Pb(CH3COO)2
+#	Enthalpy of formation:	-229.46 kcal/mol
+        -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Pb++  =  Pb(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.972
+	-delta_H	-2.84512	kJ/mol	# Calculated enthalpy of reaction	Pb(CH3COO)3-
+#	Enthalpy of formation:	-348.76 kcal/mol
+        -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Pb++  =  Pb(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.2576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 ClO3- + 1.0000 Pb++  =  Pb(ClO3)2
+        -llnl_gamma           3.0    
+        log_k           -0.5133
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Pb++  =  Pb(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -17.0902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Pb++  =  Pb(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -28.0852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Thiocyanate- + 1.0000 Pb++  =  Pb(Thiocyanate)2
+        -llnl_gamma           3.0    
+        log_k           +1.2455
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Pb++ + 1.0000 H2O  =  Pb2OH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -6.3951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 3.0000 Pb++  =  Pb3(OH)4++ +4.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -23.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Pb++ + 4.0000 H2O  =  Pb4(OH)4++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -20.8803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+8.0000 H2O + 6.0000 Pb++  =  Pb6(OH)8++++ +8.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -43.5606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 Br-  =  PbBr+
+        -llnl_gamma           4.0    
+        log_k           +1.1831
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Br- + 1.0000 Pb++  =  PbBr2
+        -llnl_gamma           3.0    
+        log_k           +1.5062
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Br- + 1.0000 Pb++  =  PbBr3-
+        -llnl_gamma           4.0    
+        log_k           +1.2336
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 BrO3-  =  PbBrO3+
+        -llnl_gamma           4.0    
+        log_k           +1.9373
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 CH3COOH  =  PbCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.3603
+	-delta_H	-2.33147e-15	kJ/mol	# Calculated enthalpy of reaction	PbCH3COO+
+#	Enthalpy of formation:	-115.88 kcal/mol
+        -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004
+#       -Range:  0-300
+
+1.0000 Pb++ + 1.0000 HCO3-  =  PbCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -3.7488
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 Cl-  =  PbCl+
+        -llnl_gamma           4.0    
+        log_k           +1.4374
+	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
+#	Enthalpy of formation:	-38.63 kcal/mol
+        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Pb++  =  PbCl2
+        -llnl_gamma           3.0    
+        log_k           +2.0026
+	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
+#	Enthalpy of formation:	-77.7 kcal/mol
+        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Pb++  =  PbCl3-
+        -llnl_gamma           4.0    
+        log_k           +1.6881
+	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
+#	Enthalpy of formation:	-117.7 kcal/mol
+        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Pb++  =  PbCl4--
+        -llnl_gamma           4.0    
+        log_k           +1.4909
+	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
+#	Enthalpy of formation:	-161.23 kcal/mol
+        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
+#       -Range:  0-300
+
+1.0000 Pb++ + 1.0000 ClO3-  =  PbClO3+
+        -llnl_gamma           4.0    
+        log_k           -0.2208
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 F-  =  PbF+
+        -llnl_gamma           4.0    
+        log_k           +0.8284
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Pb++  =  PbF2
+        -llnl_gamma           3.0    
+        log_k           +1.6132
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+  =  PbH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +1.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 HPO4--  =  PbHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 I-  =  PbI+
+        -llnl_gamma           4.0    
+        log_k           +1.9597
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 I- + 1.0000 Pb++  =  PbI2
+        -llnl_gamma           3.0    
+        log_k           +2.7615
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 I- + 1.0000 Pb++  =  PbI3-
+        -llnl_gamma           4.0    
+        log_k           +3.3355
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 I- + 1.0000 Pb++  =  PbI4--
+        -llnl_gamma           4.0    
+        log_k           +4.0672
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 NO3-  =  PbNO3+
+        -llnl_gamma           4.0    
+        log_k           +1.2271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pb++ + 1.0000 H2O  =  PbOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.6951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Pb++  =  PbP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +7.4136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Thiocyanate- + 1.0000 Pb++  =  PbThiocyanate+
+        -llnl_gamma           4.0    
+        log_k           +0.9827
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbThiocyanate+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pd++ + 1.0000 Cl-  =  PdCl+
+        -llnl_gamma           4.0    
+        log_k           +6.0993
+	-delta_H	-31.995	kJ/mol	# Calculated enthalpy of reaction	PdCl+
+#	Enthalpy of formation:	-5.5 kcal/mol
+        -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Pd++  =  PdCl2
+        -llnl_gamma           3.0    
+        log_k           +10.7327
+	-delta_H	-66.1658	kJ/mol	# Calculated enthalpy of reaction	PdCl2
+#	Enthalpy of formation:	-53.6 kcal/mol
+        -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Pd++  =  PdCl3-
+        -llnl_gamma           4.0    
+        log_k           +13.0937
+	-delta_H	-101.592	kJ/mol	# Calculated enthalpy of reaction	PdCl3-
+#	Enthalpy of formation:	-102 kcal/mol
+        -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Pd++  =  PdCl4--
+        -llnl_gamma           4.0    
+        log_k           +15.1615
+	-delta_H	-152.08	kJ/mol	# Calculated enthalpy of reaction	PdCl4-2
+#	Enthalpy of formation:	-154 kcal/mol
+        -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002
+#       -Range:  0-300
+
+1.0000 Pd++ + 1.0000 H2O  =  PdO +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -2.19
+	-delta_H	6.43081	kJ/mol	# Calculated enthalpy of reaction	PdO
+#	Enthalpy of formation:	-24.7 kcal/mol
+        -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001
+#       -Range:  0-300
+
+1.0000 Pd++ + 1.0000 H2O  =  PdOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -1.0905
+	-delta_H	-3.19239	kJ/mol	# Calculated enthalpy of reaction	PdOH+
+#	Enthalpy of formation:	-27 kcal/mol
+        -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Pm+++  =  Pm(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.9576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Pm+++  =  Pm(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.7902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Pm+++  =  Pm(OH)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -26.1852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.6837
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Pm+++  =  Pm(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 HCO3-  =  PmCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.6288
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 Cl-  =  PmCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCl+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 F-  =  PmF++
+        -llnl_gamma           4.5    
+        log_k           +3.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+  =  PmH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.6054
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmH2PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 HCO3-  =  PmHCO3++
+        -llnl_gamma           4.5    
+        log_k           +2.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHCO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 HPO4--  =  PmHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 NO3-  =  PmNO3++
+        -llnl_gamma           4.5    
+        log_k           +1.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmNO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 H2O  =  PmOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.9951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pm+++ + 1.0000 HPO4--  =  PmPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.3718
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Pm+++  =  PmSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Pr+++  =  Pr(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.8525
+	-delta_H	-23.8906	kJ/mol	# Calculated enthalpy of reaction	Pr(CH3COO)2+
+#	Enthalpy of formation:	-406.71 kcal/mol
+        -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Pr+++  =  Pr(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.2023
+	-delta_H	-40.3756	kJ/mol	# Calculated enthalpy of reaction	Pr(CH3COO)3
+#	Enthalpy of formation:	-526.75 kcal/mol
+        -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Pr+++  =  Pr(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.1076
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +8.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.5637
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Pr+++  =  Pr(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +4.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pr+++ + 1.0000 CH3COOH  =  PrCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.0451
+	-delta_H	-12.4683	kJ/mol	# Calculated enthalpy of reaction	PrAcetate+2
+#	Enthalpy of formation:	-287.88 kcal/mol
+        -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 HCO3-  =  PrCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.7722
+	-delta_H	92.458	kJ/mol	# Calculated enthalpy of reaction	PrCO3+
+#	Enthalpy of formation:	-311.6 kcal/mol
+        -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 Cl-  =  PrCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	PrCl+2
+#	Enthalpy of formation:	-205.3 kcal/mol
+        -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Pr+++  =  PrCl2+
+        -llnl_gamma           4.0    
+        log_k           +0.0308
+	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	PrCl2+
+#	Enthalpy of formation:	-243.8 kcal/mol
+        -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Pr+++  =  PrCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3203
+	-delta_H	14.2214	kJ/mol	# Calculated enthalpy of reaction	PrCl3
+#	Enthalpy of formation:	-285.2 kcal/mol
+        -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Pr+++  =  PrCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.7447
+	-delta_H	-4.05011	kJ/mol	# Calculated enthalpy of reaction	PrCl4-
+#	Enthalpy of formation:	-329.5 kcal/mol
+        -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 F-  =  PrF++
+        -llnl_gamma           4.5    
+        log_k           +4.2221
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	PrF+2
+#	Enthalpy of formation:	-243.4 kcal/mol
+        -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Pr+++  =  PrF2+
+        -llnl_gamma           4.0    
+        log_k           +7.3447
+	-delta_H	14.644	kJ/mol	# Calculated enthalpy of reaction	PrF2+
+#	Enthalpy of formation:	-325.6 kcal/mol
+        -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Pr+++  =  PrF3
+        -llnl_gamma           3.0    
+        log_k           +9.6610
+	-delta_H	-6.4852	kJ/mol	# Calculated enthalpy of reaction	PrF3
+#	Enthalpy of formation:	-410.8 kcal/mol
+        -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Pr+++  =  PrF4-
+        -llnl_gamma           4.0    
+        log_k           +11.5375
+	-delta_H	-47.2792	kJ/mol	# Calculated enthalpy of reaction	PrF4-
+#	Enthalpy of formation:	-500.7 kcal/mol
+        -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+  =  PrH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.5950
+	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	PrH2PO4+2
+#	Enthalpy of formation:	-481.5 kcal/mol
+        -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 HCO3-  =  PrHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.9190
+	-delta_H	-12.9788	kJ/mol	# Calculated enthalpy of reaction	PrHCO3+2
+#	Enthalpy of formation:	-336.8 kcal/mol
+        -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 HPO4--  =  PrHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pr+++ + 1.0000 NO3-  =  PrNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.6546
+	-delta_H	-27.9115	kJ/mol	# Calculated enthalpy of reaction	PrNO3+2
+#	Enthalpy of formation:	-224.9 kcal/mol
+        -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 H2O  =  PrO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.29
+	-delta_H	117.642	kJ/mol	# Calculated enthalpy of reaction	PrO+
+#	Enthalpy of formation:	-209 kcal/mol
+        -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Pr+++  =  PrO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -37.5852
+	-delta_H	301.39	kJ/mol	# Calculated enthalpy of reaction	PrO2-
+#	Enthalpy of formation:	-233.4 kcal/mol
+        -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Pr+++  =  PrO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -26.5901
+	-delta_H	231.517	kJ/mol	# Calculated enthalpy of reaction	PrO2H
+#	Enthalpy of formation:	-250.1 kcal/mol
+        -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 H2O  =  PrOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -8.274
+	-delta_H	81.2407	kJ/mol	# Calculated enthalpy of reaction	PrOH+2
+#	Enthalpy of formation:	-217.7 kcal/mol
+        -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001
+#       -Range:  0-300
+
+1.0000 Pr+++ + 1.0000 HPO4--  =  PrPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.7218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Pr+++  =  PrSO4+
+        -llnl_gamma           4.0    
+        log_k           -3.687
+	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	PrSO4+
+#	Enthalpy of formation:	-381.5 kcal/mol
+        -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002
+#       -Range:  0-300
+
+2.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)2
+        -llnl_gamma           3.0    
+        log_k           +23.8483
+	-delta_H	25.9279	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
+#	Enthalpy of formation:	-3094.13 kJ/mol
+        -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002
+#       -Range:  0-200
+
+3.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)3--
+        -llnl_gamma           4.0    
+        log_k           +33.4599
+	-delta_H	-6.49412	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)3-2
+#	Enthalpy of formation:	-4418.63 kJ/mol
+        -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002
+#       -Range:  0-300
+
+4.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)4----
+        -llnl_gamma           4.0    
+        log_k           +43.2467
+	-delta_H	-77.4832	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)4-4
+#	Enthalpy of formation:	-5781.7 kJ/mol
+        -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Pu++++  =  Pu(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.3235
+	-delta_H	74.3477	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)2+2
+#	Enthalpy of formation:	-1033.22 kJ/mol
+        -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001
+#       -Range:  0-300
+
+3.0000 H2O + 1.0000 Pu++++  =  Pu(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.281
+	-delta_H	96.578	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3+
+#	Enthalpy of formation:	-1296.83 kJ/mol
+        -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002
+#       -Range:  0-300
+
+4.0000 H2O + 1.0000 Pu++++  =  Pu(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -9.5174
+	-delta_H	109.113	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
+#	Enthalpy of formation:	-1570.13 kJ/mol
+        -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002
+#       -Range:  0-200
+
+2.0000 SO4-- + 1.0000 Pu++++  =  Pu(SO4)2
+        -llnl_gamma           3.0    
+        log_k           +10.2456
+	-delta_H	41.0122	kJ/mol	# Calculated enthalpy of reaction	Pu(SO4)2
+#	Enthalpy of formation:	-2314.08 kJ/mol
+        -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002
+#       -Range:  0-200
+
+2.0000 SO4-- + 1.0000 Pu+++  =  Pu(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +6.3200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pu(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pu++++ + 1.0000 F-  =  PuF+++
+        -llnl_gamma           5.0    
+        log_k           +8.4600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Pu++++  =  PuF2++
+        -llnl_gamma           4.5    
+        log_k           +15.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 F- + 1.0000 Pu++++  =  PuF3+
+        -llnl_gamma           4.0    
+        log_k           +5.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 F- + 1.0000 Pu++++  =  PuF4
+        -llnl_gamma           3.0    
+        log_k           +4.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+  =  PuH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.6817
+	-delta_H	28.597	kJ/mol	# Calculated enthalpy of reaction	PuH2PO4+2
+#	Enthalpy of formation:	-1855.04 kJ/mol
+        -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002
+#       -Range:  0-300
+
+1.0000 Pu++++ + 1.0000 HPO4--  =  PuHPO4++
+        -llnl_gamma           4.5    
+        log_k           +13.0103
+	-delta_H	40.306	kJ/mol	# Calculated enthalpy of reaction	PuHPO4+2
+#	Enthalpy of formation:	-1787.67 kJ/mol
+        -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 PuO2++  =  PuO2(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.7428
+	-delta_H	52.3345	kJ/mol	# Calculated enthalpy of reaction	PuO2(CO3)2-2
+#	Enthalpy of formation:	-2149.11 kJ/mol
+        -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002
+#       -Range:  0-300
+
+1.0000 PuO2++ + 1.0000 Cl-  =  PuO2Cl+
+        -llnl_gamma           4.0    
+        log_k           -0.2084
+	-delta_H	11.6127	kJ/mol	# Calculated enthalpy of reaction	PuO2Cl+
+#	Enthalpy of formation:	-977.045 kJ/mol
+        -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001
+#       -Range:  0-300
+
+1.0000 PuO2++ + 1.0000 F-  =  PuO2F+
+        -llnl_gamma           4.0    
+        log_k           +5.6674
+	-delta_H	-5.2094	kJ/mol	# Calculated enthalpy of reaction	PuO2F+
+#	Enthalpy of formation:	-1162.13 kJ/mol
+        -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 PuO2++  =  PuO2F2
+        -llnl_gamma           3.0    
+        log_k           +10.9669
+	-delta_H	-15.4738	kJ/mol	# Calculated enthalpy of reaction	PuO2F2
+#	Enthalpy of formation:	-1507.75 kJ/mol
+        -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001
+#       -Range:  0-200
+
+3.0000 F- + 1.0000 PuO2++  =  PuO2F3-
+        -llnl_gamma           4.0    
+        log_k           +15.9160
+	-delta_H	-29.4032	kJ/mol	# Calculated enthalpy of reaction	PuO2F3-
+#	Enthalpy of formation:	-1857.02 kJ/mol
+        -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 PuO2++  =  PuO2F4--
+        -llnl_gamma           4.0    
+        log_k           +18.7628
+	-delta_H	-39.9786	kJ/mol	# Calculated enthalpy of reaction	PuO2F4-2
+#	Enthalpy of formation:	-2202.95 kJ/mol
+        -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002
+#       -Range:  0-300
+
+1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+  =  PuO2H2PO4+
+        -llnl_gamma           4.0    
+        log_k           +11.2059
+	-delta_H	-6.63904	kJ/mol	# Calculated enthalpy of reaction	PuO2H2PO4+
+#	Enthalpy of formation:	-2120.3 kJ/mol
+        -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001
+#       -Range:  0-300
+
+1.0000 PuO2+ + 1.0000 H2O  =  PuO2OH +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -9.6674
+	-delta_H	69.1763	kJ/mol	# Calculated enthalpy of reaction	PuO2OH
+#	Enthalpy of formation:	-1130.85 kJ/mol
+        -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001
+#       -Range:  0-200
+
+1.0000 PuO2++ + 1.0000 H2O  =  PuO2OH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.6379
+	-delta_H	45.2823	kJ/mol	# Calculated enthalpy of reaction	PuO2OH+
+#	Enthalpy of formation:	-1062.13 kJ/mol
+        -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 PuO2++  =  PuO2SO4
+        -llnl_gamma           3.0    
+        log_k           +3.2658
+	-delta_H	20.0746	kJ/mol	# Calculated enthalpy of reaction	PuO2SO4
+#	Enthalpy of formation:	-1711.11 kJ/mol
+        -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001
+#       -Range:  0-200
+
+1.0000 Pu+++ + 1.0000 H2O  =  PuOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.968
+	-delta_H	53.5143	kJ/mol	# Calculated enthalpy of reaction	PuOH+2
+#	Enthalpy of formation:	-823.876 kJ/mol
+        -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005
+#       -Range:  0-300
+
+1.0000 Pu++++ + 1.0000 H2O  =  PuOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -0.5048
+	-delta_H	48.1823	kJ/mol	# Calculated enthalpy of reaction	PuOH+3
+#	Enthalpy of formation:	-773.549 kJ/mol
+        -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 Pu+++  =  PuSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.4935
+	-delta_H	14.6006	kJ/mol	# Calculated enthalpy of reaction	PuSO4+
+#	Enthalpy of formation:	-1486.55 kJ/mol
+        -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001
+#       -Range:  0-300
+
+1.0000 SO4-- + 1.0000 Pu++++  =  PuSO4++
+        -llnl_gamma           4.5    
+        log_k           +5.7710
+	-delta_H	12.3336	kJ/mol	# Calculated enthalpy of reaction	PuSO4+2
+#	Enthalpy of formation:	-1433.16 kJ/mol
+        -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Ra++  =  Ra(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.9018
+	-delta_H	21.0874	kJ/mol	# Calculated enthalpy of reaction	Ra(CH3COO)2
+#	Enthalpy of formation:	-353.26 kcal/mol
+        -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005
+#       -Range:  0-300
+
+1.0000 Ra++ + 1.0000 CH3COOH  =  RaCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.709
+	-delta_H	11.7989	kJ/mol	# Calculated enthalpy of reaction	RaCH3COO+
+#	Enthalpy of formation:	-239.38 kcal/mol
+        -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Rb+  =  Rb(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.7636
+	-delta_H	-1.12968	kJ/mol	# Calculated enthalpy of reaction	Rb(CH3COO)2-
+#	Enthalpy of formation:	-292.49 kcal/mol
+        -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001
+#       -Range:  0-300
+
+1.0000 Rb+ + 1.0000 Br-  =  RbBr
+        -llnl_gamma           3.0    
+        log_k           -1.2168
+	-delta_H	13.9327	kJ/mol	# Calculated enthalpy of reaction	RbBr
+#	Enthalpy of formation:	-85.73 kcal/mol
+        -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001
+#       -Range:  0-300
+
+1.0000 Rb+ + 1.0000 CH3COOH  =  RbCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.7279
+	-delta_H	4.89528	kJ/mol	# Calculated enthalpy of reaction	RbCH3COO
+#	Enthalpy of formation:	-174.95 kcal/mol
+        -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005
+#       -Range:  0-300
+
+1.0000 Rb+ + 1.0000 Cl-  =  RbCl
+        -llnl_gamma           3.0    
+        log_k           -0.9595
+	-delta_H	13.1922	kJ/mol	# Calculated enthalpy of reaction	RbCl
+#	Enthalpy of formation:	-96.8 kcal/mol
+        -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001
+#       -Range:  0-300
+
+1.0000 Rb+ + 1.0000 F-  =  RbF
+        -llnl_gamma           3.0    
+        log_k           +0.9602
+	-delta_H	1.92464	kJ/mol	# Calculated enthalpy of reaction	RbF
+#	Enthalpy of formation:	-139.71 kcal/mol
+        -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001
+#       -Range:  0-300
+
+1.0000 Rb+ + 1.0000 I-  =  RbI
+        -llnl_gamma           3.0    
+        log_k           -0.8136
+	-delta_H	7.1128	kJ/mol	# Calculated enthalpy of reaction	RbI
+#	Enthalpy of formation:	-71.92 kcal/mol
+        -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)2+
+        -llnl_gamma           4.0    
+        log_k           +3.7527
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)3
+        -llnl_gamma           3.0    
+        log_k           +4.2976
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Ru+++  =  Ru(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.5148
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ru(OH)2++ + 1.0000 Cl-  =  Ru(OH)2Cl+
+        -llnl_gamma           4.0    
+        log_k           +1.3858
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl2
+        -llnl_gamma           3.0    
+        log_k           +1.8081
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl3-
+        -llnl_gamma           4.0    
+        log_k           +1.6172
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl4--
+        -llnl_gamma           4.0    
+        log_k           +2.7052
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ru(OH)2++  =  Ru(OH)2SO4
+        -llnl_gamma           3.0    
+        log_k           +1.7941
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2SO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+#3.0000 H2O + 1.0000 Ru++ + 0.5000 O2  =  Ru(OH)4 +2.0000 H+
+# Ru(OH)2++ +1.0000 H2O +0.5000 O2  =  4.0000 H+ + 1.0000 RuO4--             log_k           -25.2470
+# 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2                  log_k           +0.1610
+#1 + 2 + 3
+2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+ 
+        -llnl_gamma           3.0    
+#        log_k           +18.0322
+	log_k		-7.0538
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Ru+++  =  Ru(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +3.0627
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Ru(OH)2++ + 4.0000 H2O  =  Ru4(OH)12++++ +4.0000 H+
+        -llnl_gamma           5.5    
+        log_k           +7.1960
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru4(OH)12+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ru++ + 1.0000 Cl-  =  RuCl+
+        -llnl_gamma           4.0    
+        log_k           -0.4887
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ru+++ + 1.0000 Cl-  =  RuCl++
+        -llnl_gamma           4.5    
+        log_k           +2.1742
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Ru+++  =  RuCl4-
+        -llnl_gamma           4.0    
+        log_k           +4.1418
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 Cl- + 1.0000 Ru+++  =  RuCl5--
+        -llnl_gamma           4.0    
+        log_k           +3.8457
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl5-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+6.0000 Cl- + 1.0000 Ru+++  =  RuCl6---
+        -llnl_gamma           4.0    
+        log_k           +3.4446
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl6-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Ru+++ + 1.0000 H2O  =  RuOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.2392
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ru++  =  RuSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3547
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 SO4-- + 1.0000 Ru+++  =  RuSO4+
+        -llnl_gamma           4.0    
+        log_k           +1.9518
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 HS-  =  S-- +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -12.9351
+	-delta_H	49.0364	kJ/mol	# Calculated enthalpy of reaction	S-2
+#	Enthalpy of formation:	32.928 kJ/mol
+        -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001
+#       -Range:  0-300
+
+2.0000 H+  + 2.0000 SO3--  = S2O5--  + H2O
+        -llnl_gamma           4.0    
+        log_k           9.5934
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O5-2
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 0.12262E+03    0.62883E-01   -0.18005E+04   -0.50798E+02   -0.28132E+02
+#       -Range:  0-300
+
+2.0000 H+ + 1.0000 SO3--  =  SO2 +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +9.0656
+	-delta_H	26.7316	kJ/mol	# Calculated enthalpy of reaction	SO2
+#	Enthalpy of formation:	-77.194 kcal/mol
+        -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001
+#       -Range:  0-300
+
+1.0000 Sb(OH)3 + 1.0000 H+  =  Sb(OH)2+ +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +1.4900
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001
+#       -Range:  0-300
+
+1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F-  =  Sb(OH)2F +1.0000 H2O
+        -llnl_gamma           3.0    
+        log_k           +7.1700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2F
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006
+#       -Range:  0-300
+
+1.0000 Sb(OH)3 + 1.0000 H2O  =  Sb(OH)4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.92
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004
+#       -Range:  0-300
+
+4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+  =  Sb2S4-- +6.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +39.1100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2S4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3  =  SbCl4- +3.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +3.0720
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SbCl4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Sc+++  =  Sc(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.7237
+	-delta_H	-43.1789	kJ/mol	# Calculated enthalpy of reaction	Sc(CH3COO)2+
+#	Enthalpy of formation:	-389.32 kcal/mol
+        -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Sc+++  =  Sc(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.6777
+	-delta_H	-70.0402	kJ/mol	# Calculated enthalpy of reaction	Sc(CH3COO)3
+#	Enthalpy of formation:	-511.84 kcal/mol
+        -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005
+#       -Range:  0-300
+
+1.0000 Sc+++ + 1.0000 CH3COOH  =  ScCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -1.4294
+	-delta_H	-21.7568	kJ/mol	# Calculated enthalpy of reaction	ScCH3COO+2
+#	Enthalpy of formation:	-268.1 kcal/mol
+        -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005
+#       -Range:  0-300
+
+6.0000 F- + 4.0000 H+ + 1.0000 SiO2  =  SiF6-- +2.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +26.2749
+	-delta_H	-70.9565	kJ/mol	# Calculated enthalpy of reaction	SiF6-2
+#	Enthalpy of formation:	-571 kcal/mol
+        -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Sm+++  =  Sm(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.7132
+	-delta_H	-25.5224	kJ/mol	# Calculated enthalpy of reaction	Sm(CH3COO)2+
+#	Enthalpy of formation:	-403.5 kcal/mol
+        -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Sm+++  =  Sm(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.8798
+	-delta_H	-43.5554	kJ/mol	# Calculated enthalpy of reaction	Sm(CH3COO)3
+#	Enthalpy of formation:	-523.91 kcal/mol
+        -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Sm+++  =  Sm(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.8576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with SmO2-
+#4.0000 H2O + 1.0000 Sm+++  =  Sm(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -36.8803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)4-
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.2437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Sm+++  =  Sm(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sm+++ + 1.0000 CH3COOH  =  SmCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -1.9205
+	-delta_H	-13.598	kJ/mol	# Calculated enthalpy of reaction	SmCH3COO+2
+#	Enthalpy of formation:	-284.55 kcal/mol
+        -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 HCO3-  =  SmCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.479
+	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	SmCO3+
+#	Enthalpy of formation:	-308.8 kcal/mol
+        -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 Cl-  =  SmCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3086
+	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	SmCl+2
+#	Enthalpy of formation:	-201.7 kcal/mol
+        -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Sm+++  =  SmCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	19.9409	kJ/mol	# Calculated enthalpy of reaction	SmCl2+
+#	Enthalpy of formation:	-240.3 kcal/mol
+        -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Sm+++  =  SmCl3
+        -llnl_gamma           3.0    
+        log_k           -0.3936
+	-delta_H	13.803	kJ/mol	# Calculated enthalpy of reaction	SmCl3
+#	Enthalpy of formation:	-281.7 kcal/mol
+        -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Sm+++  =  SmCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.818
+	-delta_H	-5.30531	kJ/mol	# Calculated enthalpy of reaction	SmCl4-
+#	Enthalpy of formation:	-326.2 kcal/mol
+        -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 F-  =  SmF++
+        -llnl_gamma           4.5    
+        log_k           +4.3687
+	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	SmF+2
+#	Enthalpy of formation:	-239.9 kcal/mol
+        -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Sm+++  =  SmF2+
+        -llnl_gamma           4.0    
+        log_k           +7.6379
+	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	SmF2+
+#	Enthalpy of formation:	-322.2 kcal/mol
+        -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Sm+++  =  SmF3
+        -llnl_gamma           3.0    
+        log_k           +10.0275
+	-delta_H	-8.5772	kJ/mol	# Calculated enthalpy of reaction	SmF3
+#	Enthalpy of formation:	-407.7 kcal/mol
+        -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Sm+++  =  SmF4-
+        -llnl_gamma           4.0    
+        log_k           +11.9773
+	-delta_H	-49.7896	kJ/mol	# Calculated enthalpy of reaction	SmF4-
+#	Enthalpy of formation:	-497.7 kcal/mol
+        -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+  =  SmH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-15.8364	kJ/mol	# Calculated enthalpy of reaction	SmH2PO4+2
+#	Enthalpy of formation:	-477.8 kcal/mol
+        -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 HCO3-  =  SmHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.7724
+	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	SmHCO3+2
+#	Enthalpy of formation:	-327.9 kcal/mol
+        -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 HPO4--  =  SmHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sm+++ + 1.0000 NO3-  =  SmNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.8012
+	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	SmNO3+2
+#	Enthalpy of formation:	-221.6 kcal/mol
+        -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 H2O  =  SmO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.4837
+	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	SmO+
+#	Enthalpy of formation:	-206.5 kcal/mol
+        -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Sm+++  =  SmO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -35.0197
+	-delta_H	285.909	kJ/mol	# Calculated enthalpy of reaction	SmO2-
+#	Enthalpy of formation:	-233.5 kcal/mol
+        -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Sm+++  =  SmO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.9304
+	-delta_H	226.497	kJ/mol	# Calculated enthalpy of reaction	SmO2H
+#	Enthalpy of formation:	-247.7 kcal/mol
+        -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 H2O  =  SmOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.9808
+	-delta_H	79.1487	kJ/mol	# Calculated enthalpy of reaction	SmOH+2
+#	Enthalpy of formation:	-214.6 kcal/mol
+        -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001
+#       -Range:  0-300
+
+1.0000 Sm+++ + 1.0000 HPO4--  =  SmPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.2218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sm+++ + 1.0000 SO4--  =  SmSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	SmSO4+
+#	Enthalpy of formation:	-377.8 kcal/mol
+        -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Sn++  =  Sn(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.9102
+	-delta_H	42.0534	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
+#	Enthalpy of formation:	-128.683 kcal/mol
+        -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001
+#       -Range:  0-200
+
+2.0000 H2O + 1.0000 Sn++++  =  Sn(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -0.1902
+	-delta_H	-2.02087	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2+2
+#	Enthalpy of formation:	-129.888 kcal/mol
+        -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005
+#       -Range:  0-300
+
+3.0000 H2O + 1.0000 Sn++++  =  Sn(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           +0.5148
+	-delta_H	-7.59396	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3+
+#	Enthalpy of formation:	-199.537 kcal/mol
+        -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005
+#       -Range:  0-300
+
+3.0000 H2O + 1.0000 Sn++  =  Sn(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.4052
+	-delta_H	94.7007	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3-
+#	Enthalpy of formation:	-184.417 kcal/mol
+        -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002
+#       -Range:  0-300
+
+4.0000 H2O + 1.0000 Sn++++  =  Sn(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.8497
+	-delta_H	-11.0583	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)4
+#	Enthalpy of formation:	-268.682 kcal/mol
+        -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001
+#       -Range:  0-200
+
+2.0000 SO4-- + 1.0000 Sn++++  =  Sn(SO4)2
+        -llnl_gamma           3.0    
+        log_k           -0.8072
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sn(SO4)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sn++ + 1.0000 Cl-  =  SnCl+
+        -llnl_gamma           4.0    
+        log_k           +1.0500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Sn++  =  SnCl2
+        -llnl_gamma           3.0    
+        log_k           +1.7100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Sn++  =  SnCl3-
+        -llnl_gamma           4.0    
+        log_k           +1.6900
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002
+#       -Range:  0-300
+
+1.0000 Sn++ + 1.0000 F-  =  SnF+
+        -llnl_gamma           4.0    
+        log_k           +4.0800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Sn++  =  SnF2
+        -llnl_gamma           3.0    
+        log_k           +6.6800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Sn++  =  SnF3-
+        -llnl_gamma           4.0    
+        log_k           +9.4600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+        -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002
+#       -Range:  0-300
+
+1.0000 Sn++ + 1.0000 H2O  =  SnOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.9851
+	-delta_H	21.2045	kJ/mol	# Calculated enthalpy of reaction	SnOH+
+#	Enthalpy of formation:	-65.349 kcal/mol
+        -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001
+#       -Range:  0-300
+
+1.0000 Sn++++ + 1.0000 H2O  =  SnOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           +0.6049
+	-delta_H	-5.00406	kJ/mol	# Calculated enthalpy of reaction	SnOH+3
+#	Enthalpy of formation:	-62.284 kcal/mol
+        -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005
+#       -Range:  0-300
+
+1.0000 Sn++++ + 1.0000 SO4--  =  SnSO4++
+        -llnl_gamma           4.5    
+        log_k           -3.1094
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Sr++  =  Sr(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.8212
+	-delta_H	0.54392	kJ/mol	# Calculated enthalpy of reaction	Sr(CH3COO)2
+#	Enthalpy of formation:	-363.74 kcal/mol
+        -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005
+#       -Range:  0-300
+
+1.0000 Sr++ + 1.0000 CH3COOH  =  SrCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.6724
+	-delta_H	2.3012	kJ/mol	# Calculated enthalpy of reaction	SrCH3COO+
+#	Enthalpy of formation:	-247.22 kcal/mol
+        -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005
+#       -Range:  0-300
+
+1.0000 Sr++ + 1.0000 HCO3-  =  SrCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.4635
+	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
+#	Enthalpy of formation:	-288.62 kcal/mol
+        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
+#       -Range:  0-300
+
+1.0000 Sr++ + 1.0000 Cl-  =  SrCl+
+        -llnl_gamma           4.0    
+        log_k           -0.2485
+	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
+#	Enthalpy of formation:	-169.79 kcal/mol
+        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
+#       -Range:  0-300
+
+1.0000 Sr++ + 1.0000 F-  =  SrF+
+        -llnl_gamma           4.0    
+        log_k           +0.1393
+	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
+#	Enthalpy of formation:	-210.67 kcal/mol
+        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
+#       -Range:  0-300
+
+1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+  =  SrH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +0.7300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sr++ + 1.0000 HPO4--  =  SrHPO4
+        -llnl_gamma           3.0    
+        log_k           +2.0600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sr++ + 1.0000 NO3-  =  SrNO3+
+        -llnl_gamma           4.0    
+        log_k           +0.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sr++ + 1.0000 H2O  =  SrOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -13.29
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Sr++  =  SrP2O7-- +1.0000 H2O
+        -llnl_gamma           4.0    
+        log_k           +1.6537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Sr++ + 1.0000 SO4--  =  SrSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Tb+++  =  Tb(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9625
+	-delta_H	-27.9491	kJ/mol	# Calculated enthalpy of reaction	Tb(CH3COO)2+
+#	Enthalpy of formation:	-405.78 kcal/mol
+        -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Tb+++  =  Tb(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3489
+	-delta_H	-47.1537	kJ/mol	# Calculated enthalpy of reaction	Tb(CH3COO)3
+#	Enthalpy of formation:	-526.47 kcal/mol
+        -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Tb+++  =  Tb(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.5576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.6437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Tb+++  =  Tb(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tb+++ + 1.0000 CH3COOH  =  TbCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1037
+	-delta_H	-14.2256	kJ/mol	# Calculated enthalpy of reaction	TbCH3COO+2
+#	Enthalpy of formation:	-286.4 kcal/mol
+        -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 HCO3-  =  TbCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.4057
+	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	TbCO3+
+#	Enthalpy of formation:	-310.4 kcal/mol
+        -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 Cl-  =  TbCl++
+        -llnl_gamma           4.5    
+        log_k           +0.2353
+	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	TbCl+2
+#	Enthalpy of formation:	-203.5 kcal/mol
+        -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Tb+++  =  TbCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	18.2673	kJ/mol	# Calculated enthalpy of reaction	TbCl2+
+#	Enthalpy of formation:	-242.4 kcal/mol
+        -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Tb+++  =  TbCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	TbCl3
+#	Enthalpy of formation:	-284.3 kcal/mol
+        -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Tb+++  =  TbCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-11.5813	kJ/mol	# Calculated enthalpy of reaction	TbCl4-
+#	Enthalpy of formation:	-329.4 kcal/mol
+        -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 F-  =  TbF++
+        -llnl_gamma           4.5    
+        log_k           +4.6619
+	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	TbF+2
+#	Enthalpy of formation:	-241.6 kcal/mol
+        -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Tb+++  =  TbF2+
+        -llnl_gamma           4.0    
+        log_k           +8.1510
+	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	TbF2+
+#	Enthalpy of formation:	-324.3 kcal/mol
+        -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Tb+++  =  TbF3
+        -llnl_gamma           3.0    
+        log_k           +10.6872
+	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	TbF3
+#	Enthalpy of formation:	-410.2 kcal/mol
+        -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Tb+++  =  TbF4-
+        -llnl_gamma           4.0    
+        log_k           +12.7836
+	-delta_H	-56.0656	kJ/mol	# Calculated enthalpy of reaction	TbF4-
+#	Enthalpy of formation:	-500.9 kcal/mol
+        -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+  =  TbH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.3751
+	-delta_H	-17.51	kJ/mol	# Calculated enthalpy of reaction	TbH2PO4+2
+#	Enthalpy of formation:	-479.9 kcal/mol
+        -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 HCO3-  =  TbHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.6991
+	-delta_H	-14.6524	kJ/mol	# Calculated enthalpy of reaction	TbHCO3+2
+#	Enthalpy of formation:	-335.3 kcal/mol
+        -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 HPO4--  =  TbHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tb+++ + 1.0000 NO3-  =  TbNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.5080
+	-delta_H	-31.2587	kJ/mol	# Calculated enthalpy of reaction	TbNO3+2
+#	Enthalpy of formation:	-223.8 kcal/mol
+        -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 H2O  =  TbO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.1904
+	-delta_H	109.692	kJ/mol	# Calculated enthalpy of reaction	TbO+
+#	Enthalpy of formation:	-209 kcal/mol
+        -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Tb+++  =  TbO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -34.2134
+	-delta_H	278.797	kJ/mol	# Calculated enthalpy of reaction	TbO2-
+#	Enthalpy of formation:	-236.9 kcal/mol
+        -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Tb+++  =  TbO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.0508
+	-delta_H	219.802	kJ/mol	# Calculated enthalpy of reaction	TbO2H
+#	Enthalpy of formation:	-251 kcal/mol
+        -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 H2O  =  TbOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.8342
+	-delta_H	77.4751	kJ/mol	# Calculated enthalpy of reaction	TbOH+2
+#	Enthalpy of formation:	-216.7 kcal/mol
+        -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001
+#       -Range:  0-300
+
+1.0000 Tb+++ + 1.0000 HPO4--  =  TbPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.0782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tb+++ + 1.0000 SO4--  =  TbSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.6430
+	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	TbSO4+
+#	Enthalpy of formation:	-379.6 kcal/mol
+        -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 TcO++  =  TcO(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -3.3221
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 TcO++ + 1.0000 H2O  =  TcOOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -1.1355
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++  =  Th(H2PO4)2++
+        -llnl_gamma           4.5    
+        log_k           +23.2070
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(H2PO4)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)2
+        -llnl_gamma           3.0    
+        log_k           +22.6939
+	-delta_H	-13.644	kJ/mol	# Calculated enthalpy of reaction	Th(HPO4)2
+#	Enthalpy of formation:	-804.691 kcal/mol
+        -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002
+#       -Range:  0-200
+
+3.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)3--
+        -llnl_gamma           4.0    
+        log_k           +31.1894
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(HPO4)3-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Th++++  =  Th(OH)2++ +2.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.1068
+	-delta_H	58.668	kJ/mol	# Calculated enthalpy of reaction	Th(OH)2+2
+#	Enthalpy of formation:	-306.412 kcal/mol
+        -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005
+#       -Range:  0-300
+
+3.0000 H2O + 1.0000 Th++++  =  Th(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -11.8623
+	-delta_H	86.1318	kJ/mol	# Calculated enthalpy of reaction	Th(OH)3+
+#	Enthalpy of formation:	-368.165 kcal/mol
+4.0000 H2O + 1.0000 Th++++  =  Th(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -16.0315
+	-delta_H	104.01	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
+#	Enthalpy of formation:	-432.209 kcal/mol
+        -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001
+#       -Range:  0-200
+
+2.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)2
+        -llnl_gamma           3.0    
+        log_k           +9.6170
+	-delta_H	32.2377	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
+#	Enthalpy of formation:	-610.895 kcal/mol
+        -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002
+#       -Range:  0-200
+
+3.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)3--
+        -llnl_gamma           4.0    
+        log_k           +10.4014
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)3-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)4----
+        -llnl_gamma           4.0    
+        log_k           +8.4003
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)4-4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Th++++ + 2.0000 H2O  =  Th2(OH)2+6 +2.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -6.4618
+	-delta_H	63.7181	kJ/mol	# Calculated enthalpy of reaction	Th2(OH)2+6
+#	Enthalpy of formation:	-489.005 kcal/mol
+        -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002
+#       -Range:  0-300
+
+8.0000 H2O + 4.0000 Th++++  =  Th4(OH)8+8 +8.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -21.7568
+	-delta_H	245.245	kJ/mol	# Calculated enthalpy of reaction	Th4(OH)8+8
+#	Enthalpy of formation:	-1223.12 kcal/mol
+        -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002
+#       -Range:  0-300
+
+15.0000 H2O + 6.0000 Th++++  =  Th6(OH)15+9 +15.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -37.7027
+	-delta_H	458.248	kJ/mol	# Calculated enthalpy of reaction	Th6(OH)15+9
+#	Enthalpy of formation:	-2018.03 kcal/mol
+        -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002
+#       -Range:  0-300
+
+1.0000 Th++++ + 1.0000 Cl-  =  ThCl+++
+        -llnl_gamma           5.0    
+        log_k           +0.9536
+	-delta_H	0.06276	kJ/mol	# Calculated enthalpy of reaction	ThCl+3
+#	Enthalpy of formation:	-223.718 kcal/mol
+        -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Th++++  =  ThCl2++
+        -llnl_gamma           4.5    
+        log_k           +0.6758
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Cl- + 1.0000 Th++++  =  ThCl3+
+        -llnl_gamma           4.0    
+        log_k           +1.4975
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Cl- + 1.0000 Th++++  =  ThCl4
+        -llnl_gamma           3.0    
+        log_k           +1.0731
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Th++++ + 1.0000 F-  =  ThF+++
+        -llnl_gamma           5.0    
+        log_k           +7.8725
+	-delta_H	-4.87436	kJ/mol	# Calculated enthalpy of reaction	ThF+3
+#	Enthalpy of formation:	-265.115 kcal/mol
+        -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Th++++  =  ThF2++
+        -llnl_gamma           4.5    
+        log_k           +14.0884
+	-delta_H	-7.77806	kJ/mol	# Calculated enthalpy of reaction	ThF2+2
+#	Enthalpy of formation:	-345.959 kcal/mol
+        -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Th++++  =  ThF3+
+        -llnl_gamma           4.0    
+        log_k           +18.7357
+	-delta_H	-11.7068	kJ/mol	# Calculated enthalpy of reaction	ThF3+
+#	Enthalpy of formation:	-427.048 kcal/mol
+        -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Th++++  =  ThF4
+        -llnl_gamma           3.0    
+        log_k           +22.1515
+	-delta_H	-14.8448	kJ/mol	# Calculated enthalpy of reaction	ThF4
+#	Enthalpy of formation:	-507.948 kcal/mol
+        -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002
+#       -Range:  0-200
+
+1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+  =  ThH2PO4+++
+        -llnl_gamma           5.0    
+        log_k           +11.7061
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH2PO4+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4--  =  ThH3PO4++++
+        -llnl_gamma           5.5    
+        log_k           +11.1197
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH3PO4+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Th++++ + 1.0000 HPO4--  =  ThHPO4++
+        -llnl_gamma           4.5    
+        log_k           +10.6799
+	-delta_H	0.1046	kJ/mol	# Calculated enthalpy of reaction	ThHPO4+2
+#	Enthalpy of formation:	-492.59 kcal/mol
+1.0000 Th++++ + 1.0000 H2O  =  ThOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -3.8871
+	-delta_H	25.0275	kJ/mol	# Calculated enthalpy of reaction	ThOH+3
+#	Enthalpy of formation:	-1029.83 kJ/mol
+        -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004
+#       -Range:  0-300
+
+1.0000 Th++++ + 1.0000 SO4--  =  ThSO4++
+        -llnl_gamma           4.5    
+        log_k           +5.3143
+	-delta_H	16.3511	kJ/mol	# Calculated enthalpy of reaction	ThSO4+2
+#	Enthalpy of formation:	-397.292 kcal/mol
+        -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Tl+  =  Tl(CH3COO)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.0129
+	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Tl(CH3COO)2-
+#	Enthalpy of formation:	-230.62 kcal/mol
+        -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001
+#       -Range:  0-300
+
+1.0000 Tl+ + 1.0000 CH3COOH  =  TlCH3COO +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.8672
+	-delta_H	6.15048	kJ/mol	# Calculated enthalpy of reaction	TlCH3COO
+#	Enthalpy of formation:	-113.35 kcal/mol
+        -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Tm+++  =  Tm(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9844
+	-delta_H	-32.5934	kJ/mol	# Calculated enthalpy of reaction	Tm(CH3COO)2+
+#	Enthalpy of formation:	-408.49 kcal/mol
+        -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Tm+++  =  Tm(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3783
+	-delta_H	-54.8104	kJ/mol	# Calculated enthalpy of reaction	Tm(CH3COO)3
+#	Enthalpy of formation:	-529.9 kcal/mol
+        -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Tm+++  =  Tm(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.1576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +10.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.0437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Tm+++  =  Tm(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tm+++ + 1.0000 CH3COOH  =  TmCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1184
+	-delta_H	-16.3176	kJ/mol	# Calculated enthalpy of reaction	TmCH3COO+2
+#	Enthalpy of formation:	-288.5 kcal/mol
+        -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 HCO3-  =  TmCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.1125
+	-delta_H	86.6004	kJ/mol	# Calculated enthalpy of reaction	TmCO3+
+#	Enthalpy of formation:	-312.7 kcal/mol
+        -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 Cl-  =  TmCl++
+        -llnl_gamma           4.5    
+        log_k           +0.2353
+	-delta_H	13.1085	kJ/mol	# Calculated enthalpy of reaction	TmCl+2
+#	Enthalpy of formation:	-205.3 kcal/mol
+        -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Tm+++  =  TmCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.0425
+	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	TmCl2+
+#	Enthalpy of formation:	-244.6 kcal/mol
+        -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Tm+++  =  TmCl3
+        -llnl_gamma           3.0    
+        log_k           -0.4669
+	-delta_H	5.43502	kJ/mol	# Calculated enthalpy of reaction	TmCl3
+#	Enthalpy of formation:	-287 kcal/mol
+        -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Tm+++  =  TmCl4-
+        -llnl_gamma           4.0    
+        log_k           -0.8913
+	-delta_H	-20.3677	kJ/mol	# Calculated enthalpy of reaction	TmCl4-
+#	Enthalpy of formation:	-333.1 kcal/mol
+        -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 F-  =  TmF++
+        -llnl_gamma           4.5    
+        log_k           +4.8085
+	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	TmF+2
+#	Enthalpy of formation:	-243 kcal/mol
+        -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Tm+++  =  TmF2+
+        -llnl_gamma           4.0    
+        log_k           +8.3709
+	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	TmF2+
+#	Enthalpy of formation:	-325.8 kcal/mol
+        -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Tm+++  =  TmF3
+        -llnl_gamma           3.0    
+        log_k           +10.9804
+	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	TmF3
+#	Enthalpy of formation:	-412 kcal/mol
+        -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Tm+++  =  TmF4-
+        -llnl_gamma           4.0    
+        log_k           +13.1501
+	-delta_H	-60.668	kJ/mol	# Calculated enthalpy of reaction	TmF4-
+#	Enthalpy of formation:	-503.6 kcal/mol
+        -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+  =  TmH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.4484
+	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	TmH2PO4+2
+#	Enthalpy of formation:	-482.2 kcal/mol
+        -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 HCO3-  =  TmHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.7724
+	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	TmHCO3+2
+#	Enthalpy of formation:	-332.2 kcal/mol
+        -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 HPO4--  =  TmHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tm+++ + 1.0000 NO3-  =  TmNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.2148
+	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	TmNO3+2
+#	Enthalpy of formation:	-226 kcal/mol
+        -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 H2O  =  TmO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.8972
+	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	TmO+
+#	Enthalpy of formation:	-211.6 kcal/mol
+        -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Tm+++  =  TmO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -32.6741
+	-delta_H	266.663	kJ/mol	# Calculated enthalpy of reaction	TmO2-
+#	Enthalpy of formation:	-241.4 kcal/mol
+        -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Tm+++  =  TmO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -24.1712
+	-delta_H	211.853	kJ/mol	# Calculated enthalpy of reaction	TmO2H
+#	Enthalpy of formation:	-254.5 kcal/mol
+        -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 H2O  =  TmOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.6876
+	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	TmOH+2
+#	Enthalpy of formation:	-219 kcal/mol
+        -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001
+#       -Range:  0-300
+
+1.0000 Tm+++ + 1.0000 HPO4--  =  TmPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.4782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Tm+++ + 1.0000 SO4--  =  TmSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5697
+	-delta_H	19.9995	kJ/mol	# Calculated enthalpy of reaction	TmSO4+
+#	Enthalpy of formation:	-381.12 kcal/mol
+        -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002
+#       -Range:  0-300
+
+4.0000 HCO3- + 1.0000 U++++  =  U(CO3)4---- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -6.2534
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(CO3)4-4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 HCO3- + 1.0000 U++++  =  U(CO3)5-6 +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -17.7169
+	-delta_H	53.5172	kJ/mol	# Calculated enthalpy of reaction	U(CO3)5-6
+#	Enthalpy of formation:	-3987.35 kJ/mol
+        -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002
+#       -Range:  0-300
+
+2.0000 NO3- + 1.0000 U++++  =  U(NO3)2++
+        -llnl_gamma           4.5    
+        log_k           +2.2610
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(NO3)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 U++++  =  U(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -4.57
+	-delta_H	78.7553	kJ/mol	# Calculated enthalpy of reaction	U(OH)4
+#	Enthalpy of formation:	-1655.8 kJ/mol
+        -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002
+#       -Range:  0-200
+
+2.0000 Thiocyanate- + 1.0000 U++++  =  U(Thiocyanate)2++
+        -llnl_gamma           4.5    
+        log_k           +4.2600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(Thiocyanate)2+2
+#	Enthalpy of formation:	-456.4 kJ/mol
+        -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001
+#       -Range:  0-300
+
+2.0000 SO4-- + 1.0000 U++++  =  U(SO4)2
+        -llnl_gamma           3.0    
+        log_k           +10.3507
+	-delta_H	33.2232	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
+#	Enthalpy of formation:	-2377.18 kJ/mol
+        -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002
+#       -Range:  0-200
+
+1.0000 U++++ + 1.0000 Br-  =  UBr+++
+        -llnl_gamma           5.0    
+        log_k           +1.4240
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UBr+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 U++++ + 1.0000 Cl-  =  UCl+++
+        -llnl_gamma           5.0    
+        log_k           +1.7073
+	-delta_H	-18.9993	kJ/mol	# Calculated enthalpy of reaction	UCl+3
+#	Enthalpy of formation:	-777.279 kJ/mol
+        -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001
+#       -Range:  0-300
+
+1.0000 U++++ + 1.0000 F-  =  UF+++
+        -llnl_gamma           5.0    
+        log_k           +9.2403
+	-delta_H	-5.6024	kJ/mol	# Calculated enthalpy of reaction	UF+3
+#	Enthalpy of formation:	-932.15 kJ/mol
+        -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 U++++  =  UF2++
+        -llnl_gamma           4.5    
+        log_k           +16.1505
+	-delta_H	-3.5048	kJ/mol	# Calculated enthalpy of reaction	UF2+2
+#	Enthalpy of formation:	-1265.4 kJ/mol
+        -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 U++++  =  UF3+
+        -llnl_gamma           4.0    
+        log_k           +21.4806
+	-delta_H	0.4938	kJ/mol	# Calculated enthalpy of reaction	UF3+
+#	Enthalpy of formation:	-1596.75 kJ/mol
+        -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 U++++  =  UF4
+        -llnl_gamma           3.0    
+        log_k           +25.4408
+	-delta_H	-4.2146	kJ/mol	# Calculated enthalpy of reaction	UF4
+#	Enthalpy of formation:	-1936.81 kJ/mol
+        -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002
+#       -Range:  0-200
+
+5.0000 F- + 1.0000 U++++  =  UF5-
+        -llnl_gamma           4.0    
+        log_k           +26.8110
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+6.0000 F- + 1.0000 U++++  =  UF6--
+        -llnl_gamma           4.0    
+        log_k           +28.8412
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF6-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 U++++ + 1.0000 I-  =  UI+++
+        -llnl_gamma           5.0    
+        log_k           +1.2151
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UI+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 U++++ + 1.0000 NO3-  =  UNO3+++
+        -llnl_gamma           5.0    
+        log_k           +1.4506
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UNO3+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)2-- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.7467
+	-delta_H	47.9065	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)2-2
+#	Enthalpy of formation:	-2350.96 kJ/mol
+        -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002
+#       -Range:  0-300
+
+3.0000 HCO3- + 1.0000 UO2+  =  UO2(CO3)3-5 +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -23.6241
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(CO3)3-5
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)3---- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -9.4302
+	-delta_H	4.9107	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)3-4
+#	Enthalpy of formation:	-3083.89 kJ/mol
+        -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002
+#       -Range:  0-300
+
+3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++  =  UO2(H2PO4)(H3PO4)+
+        -llnl_gamma           4.0    
+        log_k           +22.7537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)(H3PO4)+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++  =  UO2(H2PO4)2
+        -llnl_gamma           3.0    
+        log_k           +21.7437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 IO3- + 1.0000 UO2++  =  UO2(IO3)2
+        -llnl_gamma           3.0    
+        log_k           +2.9969
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(IO3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 N3- + 1.0000 UO2++  =  UO2(N3)2
+        -llnl_gamma           3.0    
+        log_k           +4.3301
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 N3- + 1.0000 UO2++  =  UO2(N3)3-
+        -llnl_gamma           4.0    
+        log_k           +5.7401
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 N3- + 1.0000 UO2++  =  UO2(N3)4--
+        -llnl_gamma           4.0    
+        log_k           +4.9200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 UO2++  =  UO2(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -10.3146
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 UO2++  =  UO2(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -19.2218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 UO2++  =  UO2(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -33.0291
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)2
+        -llnl_gamma           3.0    
+        log_k           +1.2401
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)2
+#	Enthalpy of formation:	-857.3 kJ/mol
+        -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001
+#       -Range:  0-200
+
+3.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)3-
+        -llnl_gamma           4.0    
+        log_k           +2.1001
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)3-
+#	Enthalpy of formation:	-783.8 kJ/mol
+        -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000
+#       -Range:  0-300
+
+2.0000 SO3-- + 1.0000 UO2++  =  UO2(SO3)2--
+        -llnl_gamma           4.0    
+        log_k           +7.9101
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(SO3)2-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 UO2++  =  UO2(SO4)2--
+        -llnl_gamma           4.0    
+        log_k           +3.9806
+	-delta_H	35.6242	kJ/mol	# Calculated enthalpy of reaction	UO2(SO4)2-2
+#	Enthalpy of formation:	-2802.58 kJ/mol
+        -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 Br-  =  UO2Br+
+        -llnl_gamma           4.0    
+        log_k           +0.1840
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Br+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 BrO3-  =  UO2BrO3+
+        -llnl_gamma           4.0    
+        log_k           +0.5510
+	-delta_H	0.46952	kJ/mol	# Calculated enthalpy of reaction	UO2BrO3+
+#	Enthalpy of formation:	-1085.6 kJ/mol
+        -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 HCO3-  =  UO2CO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -0.6634
+	-delta_H	19.7032	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
+#	Enthalpy of formation:	-1689.23 kJ/mol
+        -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001
+#       -Range:  0-200
+
+1.0000 UO2++ + 1.0000 Cl-  =  UO2Cl+
+        -llnl_gamma           4.0    
+        log_k           +0.1572
+	-delta_H	8.00167	kJ/mol	# Calculated enthalpy of reaction	UO2Cl+
+#	Enthalpy of formation:	-1178.08 kJ/mol
+        -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 UO2++  =  UO2Cl2
+        -llnl_gamma           3.0    
+        log_k           -1.1253
+	-delta_H	15.0013	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
+#	Enthalpy of formation:	-1338.16 kJ/mol
+        -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001
+#       -Range:  0-200
+
+1.0000 UO2++ + 1.0000 ClO3-  =  UO2ClO3+
+        -llnl_gamma           4.0    
+        log_k           +0.4919
+	-delta_H	-3.9266	kJ/mol	# Calculated enthalpy of reaction	UO2ClO3+
+#	Enthalpy of formation:	-1126.9 kJ/mol
+        -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 F-  =  UO2F+
+        -llnl_gamma           4.0    
+        log_k           +5.0502
+	-delta_H	1.6976	kJ/mol	# Calculated enthalpy of reaction	UO2F+
+#	Enthalpy of formation:	-1352.65 kJ/mol
+        -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 UO2++  =  UO2F2
+        -llnl_gamma           3.0    
+        log_k           +8.5403
+	-delta_H	2.0962	kJ/mol	# Calculated enthalpy of reaction	UO2F2
+#	Enthalpy of formation:	-1687.6 kJ/mol
+        -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001
+#       -Range:  0-200
+
+3.0000 F- + 1.0000 UO2++  =  UO2F3-
+        -llnl_gamma           4.0    
+        log_k           +10.7806
+	-delta_H	2.3428	kJ/mol	# Calculated enthalpy of reaction	UO2F3-
+#	Enthalpy of formation:	-2022.7 kJ/mol
+        -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 UO2++  =  UO2F4--
+        -llnl_gamma           4.0    
+        log_k           +11.5407
+	-delta_H	0.2814	kJ/mol	# Calculated enthalpy of reaction	UO2F4-2
+#	Enthalpy of formation:	-2360.11 kJ/mol
+        -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+  =  UO2H2PO4+
+        -llnl_gamma           4.0    
+        log_k           +11.6719
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4--  =  UO2H3PO4++
+        -llnl_gamma           4.5    
+        log_k           +11.3119
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H3PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 HPO4--  =  UO2HPO4
+        -llnl_gamma           3.0    
+        log_k           +8.4398
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 IO3-  =  UO2IO3+
+        -llnl_gamma           4.0    
+        log_k           +1.7036
+	-delta_H	11.4336	kJ/mol	# Calculated enthalpy of reaction	UO2IO3+
+#	Enthalpy of formation:	-1228.9 kJ/mol
+        -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 N3-  =  UO2N3+
+        -llnl_gamma           4.0    
+        log_k           +2.5799
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2N3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 NO3-  =  UO2NO3+
+        -llnl_gamma           4.0    
+        log_k           +0.2805
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2NO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 H2O  =  UO2OH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.2073
+	-delta_H	43.1813	kJ/mol	# Calculated enthalpy of reaction	UO2OH+
+#	Enthalpy of formation:	-1261.66 kJ/mol
+        -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 HPO4--  =  UO2PO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           +2.0798
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2PO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+#2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++  =  UO2S2O3 +1.0000 H2O +1.0000 O2
+#S2O3--  + O2  + H2O = 2.0000 H+  + 2.0000 SO3--   log_k          40.2906
+S2O3-- + UO2++ = UO2S2O3 
+        -llnl_gamma           3.0    
+#        log_k           -38.0666
+	log_k 2.224
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2S2O3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 Thiocyanate-  =  UO2Thiocyanate+
+        -llnl_gamma           4.0    
+        log_k           +1.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Thiocyanate+
+#	Enthalpy of formation:	-939.38 kJ/mol
+        -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000
+#       -Range:  0-300
+
+1.0000 UO2++ + 1.0000 SO3--  =  UO2SO3
+        -llnl_gamma           3.0    
+        log_k           +6.7532
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2SO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 UO2++ + 1.0000 SO4--  =  UO2SO4
+        -llnl_gamma           3.0    
+        log_k           +3.0703
+	-delta_H	19.7626	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
+#	Enthalpy of formation:	-1908.84 kJ/mol
+        -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001
+#       -Range:  0-200
+
+1.0000 U++++ + 1.0000 H2O  =  UOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           -0.5472
+	-delta_H	46.9183	kJ/mol	# Calculated enthalpy of reaction	UOH+3
+#	Enthalpy of formation:	-830.12 kJ/mol
+        -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001
+#       -Range:  0-300
+
+1.0000 U++++ + 1.0000 Thiocyanate-  =  UThiocyanate+++
+        -llnl_gamma           5.0    
+        log_k           +2.9700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UThiocyanate+3
+#	Enthalpy of formation:	-541.8 kJ/mol
+        -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001
+#       -Range:  0-300
+
+1.0000 U++++ + 1.0000 SO4--  =  USO4++
+        -llnl_gamma           4.5    
+        log_k           +6.5003
+	-delta_H	8.2616	kJ/mol	# Calculated enthalpy of reaction	USO4+2
+#	Enthalpy of formation:	-1492.54 kJ/mol
+        -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 V+++  =  V(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.9193
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 V+++ + 2.0000 H2O  =  V2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -3.8
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 VO2+  =  VO(OH)3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -3.3
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 VO2+  =  VO2(HPO4)2---
+        -llnl_gamma           4.0    
+        log_k           +8.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(HPO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 VO2+  =  VO2(OH)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.3
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(OH)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO2+ + 1.0000 F-  =  VO2F
+        -llnl_gamma           3.0    
+        log_k           +3.3500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 VO2+  =  VO2F2-
+        -llnl_gamma           4.0    
+        log_k           +5.8100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+  =  VO2H2PO4
+        -llnl_gamma           3.0    
+        log_k           +1.6800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2H2PO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO2+ + 1.0000 HPO4--  =  VO2HPO4-
+        -llnl_gamma           4.0    
+        log_k           +5.8300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2HPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO2+ + 1.0000 SO4--  =  VO2SO4-
+        -llnl_gamma           4.0    
+        log_k           +1.5800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2SO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO4--- + 1.0000 H+  =  VO3OH--
+        -llnl_gamma           4.0    
+        log_k           +14.2600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO3OH-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO++ + 1.0000 F-  =  VOF+
+        -llnl_gamma           4.0    
+        log_k           +4.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 VO++  =  VOF2
+        -llnl_gamma           3.0    
+        log_k           +6.7800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 V+++ + 1.0000 H2O  =  VOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.26
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO++ + 1.0000 H2O  =  VOOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.67
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOOH+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 VO++ + 1.0000 SO4--  =  VOSO4
+        -llnl_gamma           3.0    
+        log_k           +2.4800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOSO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 V+++ + 1.0000 SO4--  =  VSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.3300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Y+++  =  Y(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.9844
+	-delta_H	-34.8109	kJ/mol	# Calculated enthalpy of reaction	Y(CH3COO)2+
+#	Enthalpy of formation:	-411.42 kcal/mol
+        -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Y+++  =  Y(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.3783
+	-delta_H	-58.4505	kJ/mol	# Calculated enthalpy of reaction	Y(CH3COO)3
+#	Enthalpy of formation:	-533.17 kcal/mol
+        -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Y+++  =  Y(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.3576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Y+++  =  Y(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +9.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H2O + 1.0000 Y+++  =  Y(OH)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -16.3902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Y+++  =  Y(OH)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -25.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Y+++  =  Y(OH)4- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -36.4803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Y+++  =  Y(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.2437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Y+++  =  Y(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +4.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Y+++ + 2.0000 H2O  =  Y2(OH)2++++ +2.0000 H+
+        -llnl_gamma           5.5    
+        log_k           -14.1902
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y2(OH)2+4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 CH3COOH  =  YCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.1184
+	-delta_H	-17.2799	kJ/mol	# Calculated enthalpy of reaction	YCH3COO+2
+#	Enthalpy of formation:	-291.13 kcal/mol
+        -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005
+#       -Range:  0-300
+
+1.0000 Y+++ + 1.0000 HCO3-  =  YCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.2788
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 Cl-  =  YCl++
+        -llnl_gamma           4.5    
+        log_k           +0.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCl+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 F-  =  YF++
+        -llnl_gamma           4.5    
+        log_k           +4.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Y+++  =  YF2+
+        -llnl_gamma           4.0    
+        log_k           +7.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF2+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 F- + 1.0000 Y+++  =  YF3
+        -llnl_gamma           3.0    
+        log_k           +11.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+  =  YH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.6054
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YH2PO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 HCO3-  =  YHCO3++
+        -llnl_gamma           4.5    
+        log_k           +2.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHCO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 HPO4--  =  YHPO4+
+        -llnl_gamma           4.0    
+        log_k           +5.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 NO3-  =  YNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YNO3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 H2O  =  YOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.6951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YOH+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 HPO4--  =  YPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.2782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Y+++ + 1.0000 SO4--  =  YSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YSO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 CH3COOH + 1.0000 Yb+++  =  Yb(CH3COO)2+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -5.131
+	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Yb(CH3COO)2+
+#	Enthalpy of formation:	-399.75 kcal/mol
+        -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Yb+++  =  Yb(CH3COO)3 +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -8.5688
+	-delta_H	-51.4214	kJ/mol	# Calculated enthalpy of reaction	Yb(CH3COO)3
+#	Enthalpy of formation:	-520.89 kcal/mol
+        -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005
+#       -Range:  0-300
+
+2.0000 HCO3- + 1.0000 Yb+++  =  Yb(CO3)2- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -7.0576
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(CO3)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(HPO4)2-
+        -llnl_gamma           4.0    
+        log_k           +10.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(HPO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+# Redundant with YbO2-
+#4.0000 H2O + 1.0000 Yb+++  =  Yb(OH)4- +4.0000 H+
+#        -llnl_gamma           4.0    
+#        log_k           -32.6803
+#	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)4-
+##	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(PO4)2--- +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.7437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(PO4)2-3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Yb+++  =  Yb(SO4)2-
+        -llnl_gamma           4.0    
+        log_k           +5.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(SO4)2-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Yb+++ + 1.0000 CH3COOH  =  YbCH3COO++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -2.199
+	-delta_H	-15.2298	kJ/mol	# Calculated enthalpy of reaction	YbCH3COO+2
+#	Enthalpy of formation:	-280.04 kcal/mol
+        -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 HCO3-  =  YbCO3+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -2.0392
+	-delta_H	82.8348	kJ/mol	# Calculated enthalpy of reaction	YbCO3+
+#	Enthalpy of formation:	-305.4 kcal/mol
+        -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 Cl-  =  YbCl++
+        -llnl_gamma           4.5    
+        log_k           +0.1620
+	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	YbCl+2
+#	Enthalpy of formation:	-196.9 kcal/mol
+        -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Yb+++  =  YbCl2+
+        -llnl_gamma           4.0    
+        log_k           -0.2624
+	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	YbCl2+
+#	Enthalpy of formation:	-236 kcal/mol
+        -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Yb+++  =  YbCl3
+        -llnl_gamma           3.0    
+        log_k           -0.7601
+	-delta_H	8.36382	kJ/mol	# Calculated enthalpy of reaction	YbCl3
+#	Enthalpy of formation:	-278.1 kcal/mol
+        -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Yb+++  =  YbCl4-
+        -llnl_gamma           4.0    
+        log_k           -1.1845
+	-delta_H	-15.7653	kJ/mol	# Calculated enthalpy of reaction	YbCl4-
+#	Enthalpy of formation:	-323.8 kcal/mol
+        -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 F-  =  YbF++
+        -llnl_gamma           4.5    
+        log_k           +4.8085
+	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	YbF+2
+#	Enthalpy of formation:	-234.9 kcal/mol
+        -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001
+#       -Range:  0-300
+
+2.0000 F- + 1.0000 Yb+++  =  YbF2+
+        -llnl_gamma           4.0    
+        log_k           +8.3709
+	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	YbF2+
+#	Enthalpy of formation:	-317.7 kcal/mol
+        -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001
+#       -Range:  0-300
+
+3.0000 F- + 1.0000 Yb+++  =  YbF3
+        -llnl_gamma           3.0    
+        log_k           +11.0537
+	-delta_H	-13.1796	kJ/mol	# Calculated enthalpy of reaction	YbF3
+#	Enthalpy of formation:	-403.9 kcal/mol
+        -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002
+#       -Range:  0-300
+
+4.0000 F- + 1.0000 Yb+++  =  YbF4-
+        -llnl_gamma           4.0    
+        log_k           +13.2234
+	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	YbF4-
+#	Enthalpy of formation:	-495.3 kcal/mol
+        -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+  =  YbH2PO4++
+        -llnl_gamma           4.5    
+        log_k           +9.5217
+	-delta_H	-20.0204	kJ/mol	# Calculated enthalpy of reaction	YbH2PO4+2
+#	Enthalpy of formation:	-473.9 kcal/mol
+        -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 HCO3-  =  YbHCO3++
+        -llnl_gamma           4.5    
+        log_k           +1.8398
+	-delta_H	5.43083	kJ/mol	# Calculated enthalpy of reaction	YbHCO3+2
+#	Enthalpy of formation:	-323.9 kcal/mol
+        -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 HPO4--  =  YbHPO4+
+        -llnl_gamma           4.0    
+        log_k           +6.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbHPO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Yb+++ + 1.0000 NO3-  =  YbNO3++
+        -llnl_gamma           4.5    
+        log_k           +0.2148
+	-delta_H	-32.9323	kJ/mol	# Calculated enthalpy of reaction	YbNO3+2
+#	Enthalpy of formation:	-217.6 kcal/mol
+        -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 H2O  =  YbO+ +2.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.7506
+	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	YbO+
+#	Enthalpy of formation:	-203.4 kcal/mol
+        -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Yb+++  =  YbO2- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -32.6741
+	-delta_H	267.918	kJ/mol	# Calculated enthalpy of reaction	YbO2-
+#	Enthalpy of formation:	-232.9 kcal/mol
+        -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Yb+++  =  YbO2H +3.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -23.878
+	-delta_H	211.016	kJ/mol	# Calculated enthalpy of reaction	YbO2H
+#	Enthalpy of formation:	-246.5 kcal/mol
+        -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 H2O  =  YbOH++ +1.0000 H+
+        -llnl_gamma           4.5    
+        log_k           -7.6143
+	-delta_H	74.9647	kJ/mol	# Calculated enthalpy of reaction	YbOH+2
+#	Enthalpy of formation:	-210.7 kcal/mol
+        -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001
+#       -Range:  0-300
+
+1.0000 Yb+++ + 1.0000 HPO4--  =  YbPO4 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           +0.5782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Yb+++ + 1.0000 SO4--  =  YbSO4+
+        -llnl_gamma           4.0    
+        log_k           +3.5697
+	-delta_H	1424.65	kJ/mol	# Calculated enthalpy of reaction	YbSO4+
+#	Enthalpy of formation:	-37.2 kcal/mol
+        -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002
+#       -Range:  0-300
+
+2.0000 CH3COOH + 1.0000 Zn++  =  Zn(CH3COO)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.062
+	-delta_H	-11.0458	kJ/mol	# Calculated enthalpy of reaction	Zn(CH3COO)2
+#	Enthalpy of formation:	-271.5 kcal/mol
+        -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005
+#       -Range:  0-300
+
+3.0000 CH3COOH + 1.0000 Zn++  =  Zn(CH3COO)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -10.0715
+	-delta_H	25.355	kJ/mol	# Calculated enthalpy of reaction	Zn(CH3COO)3-
+#	Enthalpy of formation:	-378.9 kcal/mol
+        -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006
+#       -Range:  0-300
+
+4.0000 Cyanide- + 1.0000 Zn++  =  Zn(Cyanide)4--
+        -llnl_gamma           4.0    
+        log_k           +16.7040
+	-delta_H	-107.305	kJ/mol	# Calculated enthalpy of reaction	Zn(Cyanide)4-2
+#	Enthalpy of formation:	341.806 kJ/mol
+        -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001
+#       -Range:  0-300
+
+2.0000 N3- + 1.0000 Zn++  =  Zn(N3)2
+        -llnl_gamma           3.0    
+        log_k           +1.1954
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(N3)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 NH3  =  Zn(NH3)++
+        -llnl_gamma           4.5    
+        log_k           +2.0527
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)2++
+        -llnl_gamma           4.5    
+        log_k           +4.2590
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)3++
+        -llnl_gamma           4.5    
+        log_k           +6.4653
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)3+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)4++
+        -llnl_gamma           4.5    
+        log_k           +8.3738
+	-delta_H	-54.9027	kJ/mol	# Calculated enthalpy of reaction	Zn(NH3)4+2
+#	Enthalpy of formation:	-533.636 kJ/mol
+        -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001
+#       -Range:  0-300
+
+2.0000 H2O + 1.0000 Zn++  =  Zn(OH)2 +2.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -17.3282
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Zn++  =  Zn(OH)3- +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -28.8369
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Zn++  =  Zn(OH)4-- +4.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -41.6052
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl-  =  Zn(OH)Cl +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -7.5417
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)Cl
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)2
+        -llnl_gamma           3.0    
+        log_k           +0.8800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)4--
+        -llnl_gamma           4.0    
+        log_k           +1.2479
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 Br-  =  ZnBr+
+        -llnl_gamma           4.0    
+        log_k           -0.6365
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 Br- + 1.0000 Zn++  =  ZnBr2
+        -llnl_gamma           3.0    
+        log_k           -1.0492
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 Br- + 1.0000 Zn++  =  ZnBr3-
+        -llnl_gamma           4.0    
+        log_k           -1.8474
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 CH3COOH  =  ZnCH3COO+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -3.1519
+	-delta_H	-9.87424	kJ/mol	# Calculated enthalpy of reaction	ZnCH3COO+
+#	Enthalpy of formation:	-155.12 kcal/mol
+        -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005
+#       -Range:  0-300
+
+1.0000 Zn++ + 1.0000 HCO3-  =  ZnCO3 +1.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -6.4288
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 Cl-  =  ZnCl+
+        -llnl_gamma           4.0    
+        log_k           +0.1986
+	-delta_H	43.317	kJ/mol	# Calculated enthalpy of reaction	ZnCl+
+#	Enthalpy of formation:	-66.24 kcal/mol
+        -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001
+#       -Range:  0-300
+
+2.0000 Cl- + 1.0000 Zn++  =  ZnCl2
+        -llnl_gamma           3.0    
+        log_k           +0.2507
+	-delta_H	31.1541	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
+#	Enthalpy of formation:	-109.08 kcal/mol
+        -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001
+#       -Range:  0-300
+
+3.0000 Cl- + 1.0000 Zn++  =  ZnCl3-
+        -llnl_gamma           4.0    
+        log_k           -0.0198
+	-delta_H	22.5894	kJ/mol	# Calculated enthalpy of reaction	ZnCl3-
+#	Enthalpy of formation:	-151.06 kcal/mol
+        -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001
+#       -Range:  0-300
+
+4.0000 Cl- + 1.0000 Zn++  =  ZnCl4--
+        -llnl_gamma           4.0    
+        log_k           +0.8605
+	-delta_H	4.98733	kJ/mol	# Calculated enthalpy of reaction	ZnCl4-2
+#	Enthalpy of formation:	-195.2 kcal/mol
+        -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000
+#       -Range:  0-300
+
+1.0000 Zn++ + 1.0000 ClO4-  =  ZnClO4+
+        -llnl_gamma           4.0    
+        log_k           +1.2768
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnClO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 F-  =  ZnF+
+        -llnl_gamma           4.0    
+        log_k           +1.1500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnF+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+  =  ZnH2PO4+
+        -llnl_gamma           4.0    
+        log_k           +0.4300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnH2PO4+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 HCO3-  =  ZnHCO3+
+        -llnl_gamma           4.0    
+        log_k           +1.4200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHCO3+
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002
+#       -Range: 25-300
+
+1.0000 Zn++ + 1.0000 HPO4--  =  ZnHPO4
+        -llnl_gamma           3.0    
+        log_k           +3.2600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHPO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 I-  =  ZnI+
+        -llnl_gamma           4.0    
+        log_k           -3.0134
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 I- + 1.0000 Zn++  =  ZnI2
+        -llnl_gamma           3.0    
+        log_k           -1.8437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 I- + 1.0000 Zn++  =  ZnI3-
+        -llnl_gamma           4.0    
+        log_k           -2.0054
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI3-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 I- + 1.0000 Zn++  =  ZnI4--
+        -llnl_gamma           4.0    
+        log_k           -2.6052
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI4-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 N3-  =  ZnN3+
+        -llnl_gamma           4.0    
+        log_k           +0.4420
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnN3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 H2O  =  ZnOH+ +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -8.96
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnOH+
+#	Enthalpy of formation:	-0 kcal/mol
+        -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001
+#       -Range: 25-300
+
+1.0000 Zn++ + 1.0000 HPO4--  =  ZnPO4- +1.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -4.3018
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnPO4-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zn++ + 1.0000 SO4--  =  ZnSO4
+        -llnl_gamma           3.0    
+        log_k           +2.3062
+	-delta_H	15.277	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
+#	Enthalpy of formation:	-1047.71 kJ/mol
+        -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001
+#       -Range:  0-200
+
+1.0000 Zn++ + 1.0000 SeO4--  =  ZnSeO4
+        -llnl_gamma           3.0    
+        log_k           +2.1900
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnSeO4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 H2O + 1.0000 Zr++++  =  Zr(OH)3+ +3.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -0.6693
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 1.0000 Zr++++  =  Zr(OH)4 +4.0000 H+
+        -llnl_gamma           3.0    
+        log_k           -1.4666
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 H2O + 1.0000 Zr++++  =  Zr(OH)5- +5.0000 H+
+        -llnl_gamma           4.0    
+        log_k           -15.9754
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)2
+        -llnl_gamma           3.0    
+        log_k           +6.2965
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)3--
+        -llnl_gamma           4.0    
+        log_k           +7.3007
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)3-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 H2O + 3.0000 Zr++++  =  Zr3(OH)4+8 +4.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -0.5803
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr3(OH)4+8
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+8.0000 H2O + 4.0000 Zr++++  =  Zr4(OH)8+8 +8.0000 H+
+        -llnl_gamma           6.0    
+        log_k           -5.9606
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr4(OH)8+8
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zr++++ + 1.0000 F-  =  ZrF+++
+        -llnl_gamma           5.0    
+        log_k           +8.5835
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 F- + 1.0000 Zr++++  =  ZrF2++
+        -llnl_gamma           4.5    
+        log_k           +15.7377
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF2+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+3.0000 F- + 1.0000 Zr++++  =  ZrF3+
+        -llnl_gamma           4.0    
+        log_k           +21.2792
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF3+
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+4.0000 F- + 1.0000 Zr++++  =  ZrF4
+        -llnl_gamma           3.0    
+        log_k           +25.9411
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+5.0000 F- + 1.0000 Zr++++  =  ZrF5-
+        -llnl_gamma           4.0    
+        log_k           +30.3098
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF5-
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+6.0000 F- + 1.0000 Zr++++  =  ZrF6--
+        -llnl_gamma           4.0    
+        log_k           +34.0188
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF6-2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zr++++ + 1.0000 H2O  =  ZrOH+++ +1.0000 H+
+        -llnl_gamma           5.0    
+        log_k           +0.0457
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrOH+3
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+1.0000 Zr++++ + 1.0000 SO4--  =  ZrSO4++
+        -llnl_gamma           4.5    
+        log_k           +3.6064
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrSO4+2
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+2.0000 H+ + 1.0000 O_phthalate-2  =  H2O_phthalate
+        -llnl_gamma           3.0    
+        log_k           +8.3580
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2O_phthalate
+#	Enthalpy of formation:	-0 kcal/mol
+ 
+
+######################
+
+#Start of organic species added Feb. 4, 2011
+
+#######################
+
+# 1-Butanamine, C4H9NH2
+        + 2.0000 C2H5NH2  =  C4H9NH2  + 1.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +7.0171
+        -delta_h +36.110 kcal/mol
+        -analytic 2.6628e+000 1.4357e-003 1.7062e+003 -7.5117e-001 5.7612e+003
+#       -Range: 0-300
+
+# 1-Butanol, C4H9OH
+        + 2.0000 C2H5OH  =  C4H9OH  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    +6.5001
+        -delta_h +80.320 kcal/mol
+        -analytic -2.4958e+000 -1.9919e-003 2.3794e+003 6.5075e-001 3.7130e+001
+#       -Range: 0-300
+
+# 1-Butene, C4H8
+          + 2.0000 C2H4  =  C4H8
+        -llnl_gamma           3.0
+        log_k    +13.6266
+        -delta_h +5.635 kcal/mol
+        -analytic -6.9511e+000 -5.1950e-003 5.3537e+003 2.0720e+000 -8.5186e+004
+#       -Range: 0-300
+
+# 1-Butyne, C4H6
+      + 2.0000 C2H2 + 1.0000 H2O  =  C4H6  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -422.3711
+        -delta_h -33.4 kcal/mol
+        -analytic 8.0147e+000 -1.9434e-003 -9.6752e+002 -3.5459e+000 8.7444e+004
+#       -Range: 0-300
+
+# 1-Heptanamine, C7H15NH2
+        + 3.5000 C2H5NH2  =  C7H15NH2  + 2.5000 NH3
+        -llnl_gamma           3.0
+        log_k    +15.4646
+        -delta_h +51.990 kcal/mol
+        -analytic 8.1328e+000 2.9346e-003 3.6672e+003 -2.3594e+000 5.7222e+001
+#        -Range: 0-300
+
+# 1-Heptanol, C7H15OH
+        + 3.5000 C2H5OH  =  C7H15OH  + 2.5000 H2O
+        -llnl_gamma           3.0
+        log_k    +16.1733
+        -delta_h +97.270 kcal/mol
+        -analytic 1.1253e+000 -1.4421e-003 5.3337e+003 -9.7252e-001 8.3227e+001
+#       -Range: 0-300
+
+# 1-Heptene, C7H14
+          + 3.5000 C2H4  =  C7H14
+        -llnl_gamma           3.0
+        log_k    +30.5114
+        -delta_h +22.670 kcal/mol
+        -analytic -1.1457e+001 -1.3165e-002 1.1832e+004 3.2374e+000 -1.6063e+005
+#       -Range: 0-300
+
+# 1-Heptyne, C7H12
+      + 3.5000 C2H2 + 2.5000 H2O  =  C7H12  + 1.2500 O2
+        -llnl_gamma           3.0
+        log_k    -748.8076
+        -delta_h -16.98 kcal/mol
+        -analytic 6.8635e+000 -6.7966e-003 -3.7961e+003 -4.0767e+000 1.8009e+005
+#       -Range: 0-300
+
+# 1-Hexanamine, C6H13NH2
+        + 3.0000 C2H5NH2  =  C6H13NH2  + 2.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +12.3189
+        -delta_h +46.320 kcal/mol
+        -analytic 2.7655e+000 2.2270e-003 3.0793e+003 -5.7977e-001 4.8049e+001
+#       -Range: 0-300
+
+# 1-Hexanol, C6H13OH
+        + 3.0000 C2H5OH  =  C6H13OH  + 2.0000 H2O
+        -llnl_gamma           3.0
+        log_k    +13.8358
+        -delta_h +92.690 kcal/mol
+        -analytic 1.2093e+001 -8.5858e-004 4.0578e+003 -4.6909e+000 6.3315e+001
+#       -Range: 0-300
+
+# 1-Hexene, C6H12
+          + 3.0000 C2H4  =  C6H12
+        -llnl_gamma           3.0
+        log_k    +24.9076
+        -delta_h +17.025 kcal/mol
+        -analytic -1.8354e+001 -1.1761e-002 1.0127e+004 5.8975e+000 -1.5953e+005
+#       -Range: 0-300
+
+# 1-Hexyne, C6H10
+      + 3.0000 C2H2 + 2.0000 H2O  =  C6H10  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    -639.9392
+        -delta_h -22.34 kcal/mol
+        -analytic 2.6448e+001 -2.4295e-003 -3.8892e+003 -1.0837e+001 2.0944e+005
+#       -Range: 0-300
+
+# 1-Octanamine, C8H17NH2
+        + 4.0000 C2H5NH2  =  C8H17NH2  + 3.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +18.6103
+        -delta_h +57.660 kcal/mol
+        -analytic 9.9090e+000 3.5563e-003 4.4097e+003 -2.8869e+000 6.8807e+001
+#       -Range: 0-300
+
+# 1-Octanol, C8H12OH
+#        + 4.0000 C2H5OH  =  C8H12OH  + 3.0000 H2O
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    +19.7862
+#        -delta_h +103.060 kcal/mol
+#        -analytic -1.0628e+001 -4.8545e-003 7.2441e+003 3.0590e+000 1.1304e+002
+#       -Range: 0-300
+
+# 1-Octene, C8H16
+          + 4.0000 C2H4  =  C8H16
+        -llnl_gamma           3.0
+        log_k    +35.9760
+        -delta_h +28.120 kcal/mol
+        -analytic -3.3408e+001 -1.8810e-002 1.5052e+004 1.1026e+001 -2.4723e+005
+#       -Range: 0-300
+
+# 1-Octyne, C8H14
+      + 4.0000 C2H2 + 3.0000 H2O  =  C8H14  + 1.5000 O2
+        -llnl_gamma           3.0
+        log_k    -857.5439
+        -delta_h -11.33 kcal/mol
+        -analytic 4.5356e+001 -2.9242e-003 -6.8742e+003 -1.8272e+001 3.3648e+005
+#       -Range: 0-300
+
+# 1-Pentanamine, C5H11NH2
+        + 2.5000 C2H5NH2  =  C5H11NH2  + 1.5000 NH3
+        -llnl_gamma           3.0
+        log_k    +9.1805
+        -delta_h +40.650 kcal/mol
+        -analytic 8.4037e+000 2.7132e-003 1.9292e+003 -2.7349e+000 2.3844e+004
+#       -Range: 0-300
+
+# 1-Pentanol, C5H11OH
+        + 2.5000 C2H5OH  =  C5H11OH  + 1.5000 H2O
+        -llnl_gamma           3.0
+        log_k    +11.1245
+        -delta_h +87.730 kcal/mol
+        -analytic -9.8673e-001 -2.4789e-003 3.8322e+003 0.0000e+000 0.0000e+000
+#       -Range: 0-300
+
+# 1-Pentene, C5H10
+          + 2.5000 C2H4  =  C5H10
+        -llnl_gamma           3.0
+        log_k    +19.1718
+        -delta_h +11.200 kcal/mol
+        -analytic -5.8469e+001 -1.4970e-002 1.0267e+004 2.0489e+001 -2.6977e+005
+#       -Range: 0-300
+
+# 1-Pentyne, C5H8
+      + 2.5000 C2H2 + 1.5000 H2O  =  C5H8  + 0.7500 O2
+        -llnl_gamma           3.0
+        log_k    -531.1075
+        -delta_h -27.8 kcal/mol
+        -analytic 5.0924e+000 -3.9604e-003 -1.7557e+003 -2.7988e+000 1.1194e+005
+#       -Range: 0-300
+
+# 1-Propanamine, C3H7NH2
+        + 1.5000 C2H5NH2  =  C3H7NH2  + 0.5000 NH3
+        -llnl_gamma           3.0
+        log_k    +4.1279
+        -delta_h +30.680 kcal/mol
+        -analytic 2.8174e+000 8.5281e-004 9.7545e+002 -8.9491e-001 1.5220e+001
+#       -Range: 0-300
+
+# 1-Propanol, C3H7OH
+        + 1.5000 C2H5OH  =  C3H7OH  + 0.5000 H2O
+        -llnl_gamma           3.0
+        log_k    +3.8548
+        -delta_h +75.320 kcal/mol
+        -analytic -2.8360e+000 -1.0577e-003 1.4368e+003 8.8413e-001 2.2421e+001
+#       -Range: 0-300
+
+# 1-Propene, C3H6
+          + 1.5000 C2H4  =  C3H6
+        -llnl_gamma           3.0
+        log_k    +8.2573
+        -delta_h +0.290 kcal/mol
+        -analytic 1.1038e+001 -3.4869e-004 2.3006e+003 -4.2007e+000 3.5895e+001
+#       -Range: 0-300
+
+# 1-Propyne, C3H4
+      + 1.5000 C2H2 + 0.5000 H2O  =  C3H4  + 0.2500 O2
+        -llnl_gamma           3.0
+        log_k    -313.6201
+        -delta_h -38.97 kcal/mol
+        -analytic 2.4860e-002 -1.5316e-003 4.1336e+002 -3.4011e-001 3.0624e+004
+#       -Range: 0-300
+
+# # 2-Butanone, C4H8O	CH3C(O)CH2CH3
+#         + 4.0000 CH3COCH3  =  C4H8O  + 0.5000 O2
+# does not balance
+#         -llnl_gamma           3.0
+#         log_k    -1200.9839
+#         -delta_h +67.880 kcal/mol
+#         -analytic -2.1942e+001 9.8502e-004 -9.1936e+003 6.9213e+000 1.6006e+005
+#       -Range: 0-300
+
+# 2-Heptanone, C7H14O correct formula
+#        + 7.0000 CH3COCH3  =  C7H14O  + 2.0000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -2179.4136
+#        -delta_h +84.890 kcal/mol
+#        -analytic -1.8734e+002 -6.9923e-003 -3.0077e+004 6.2205e+001 -4.6928e+002
+#       -Range: 0-300
+
+# 2-Hexanone, C6H12O
+#        + 6.0000 CH3COCH3  =  C6H12O  + 1.5000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -1853.3802
+#        -delta_h +79.220 kcal/mol
+#        -analytic 3.3773e+002 5.9197e-002 -5.0406e+004 -1.2439e+002 1.7107e+006
+#       -Range: 0-300
+
+# 2-Hydroxybutanoate, C4H7O3-
+      + 1.0000 C3H7COOH + 0.5000 O2  =  C4H7O3-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.8116
+        -delta_h +169.810 kcal/mol
+        -analytic -5.4902e+001 -2.9840e-002 9.1382e+003 2.2664e+001 1.4261e+002
+#       -Range: 0-300
+
+# 2-Hydroxybutanoic, C4H8O3
+        + 1.0000 C3H7COOH + 0.5000 O2  =  C4H8O3
+        -llnl_gamma           3.0
+        log_k    -332.1774
+        -delta_h +169.670 kcal/mol
+        -analytic -3.0810e+001 -8.1378e-003 1.0507e+004 1.0709e+001 -1.5474e+005
+#       -Range: 0-300
+
+# 2-Hydroxydecanoate, C10H19O3-
+      + 5.0000 CH3COOH  =  C10H19O3-  + 3.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.7383
+        -delta_h +203.930 kcal/mol
+        -analytic -2.8008e+002 -1.9653e-002 -6.9199e+004 9.7024e+001 -1.0797e+003
+#       -Range: 0-300
+
+# 2-Hydroxydecanoic, C10H20O3
+        + 5.0000 CH3COOH  =  C10H20O3  + 3.5000 O2
+        -llnl_gamma           3.0
+        log_k    -984.2221
+        -delta_h +203.690 kcal/mol
+        -analytic -3.2602e+002 -2.4822e-002 -6.7352e+004 1.1523e+002 -1.0509e+003
+#       -Range: 0-300
+
+# 2-Hydroxyheptanoate, C7H13O3-
+      + 3.5000 CH3COOH  =  C7H13O3-  + 2.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.7383
+        -delta_h +186.900 kcal/mol
+        -analytic -2.0491e+002 -2.6664e-002 -3.9557e+004 7.2979e+001 -6.1720e+002
+#       -Range: 0-300
+
+# 2-Hydroxyheptanoic, C7H14O3
+        + 3.5000 CH3COOH  =  C7H14O3  + 2.0000 O2
+        -llnl_gamma           3.0
+        log_k    -658.2107
+        -delta_h +186.680 kcal/mol
+        -analytic -1.9142e+002 -1.4836e-002 -3.9307e+004 6.7281e+001 -6.1330e+002
+#       -Range: 0-300
+
+# 2-Hydroxyhexanoate, C6H11O3-
+      + 3.0000 CH3COOH  =  C6H11O3-  + 1.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.7384
+        -delta_h +181.240 kcal/mol
+        -analytic -1.7865e+002 -2.8722e-002 -2.9711e+004 6.4493e+001 -4.6357e+002
+#       -Range: 0-300
+
+# 2-Hydroxyhexanoic, C6H12O3
+        + 3.0000 CH3COOH  =  C6H12O3  + 1.5000 O2
+        -llnl_gamma           3.0
+        log_k    -549.5329
+        -delta_h +181.010 kcal/mol
+        -analytic 4.5831e+000 5.4145e-003 -3.9948e+004 -1.4677e+000 6.9991e+005
+#       -Range: 0-300
+
+# 2-Hydroxynonanoate, C9H17O3-
+      + 4.5000 CH3COOH  =  C9H17O3-  + 3.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.7383
+        -delta_h +198.250 kcal/mol
+        -analytic -2.5572e+002 -2.2155e-002 -5.9298e+004 8.9284e+001 -9.2521e+002
+#       -Range: 0-300
+
+# 2-Hydroxynonanoic, C9H18O3
+        + 4.5000 CH3COOH  =  C9H18O3  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -875.5516
+        -delta_h +198.020 kcal/mol
+        -analytic -1.1226e+002 -3.7272e-003 -6.9576e+004 4.0711e+001 8.3790e+005
+#       -Range: 0-300
+
+# 2-Hydroxyoctanoate, C8H15O3-
+      + 4.0000 CH3COOH  =  C8H15O3-  + 2.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.7383
+        -delta_h +192.570 kcal/mol
+        -analytic 6.7477e+001 1.2723e-002 -6.7802e+004 -2.4249e+001 1.1992e+006
+#       -Range: 0-300
+
+# 2-Hydroxyoctanoic, C8H16O3
+        + 4.0000 CH3COOH  =  C8H16O3  + 2.5000 O2
+        -llnl_gamma           3.0
+        log_k    -766.8885
+        -delta_h +192.350 kcal/mol
+        -analytic 1.8003e+002 3.4449e-002 -7.4099e+004 -6.4322e+001 1.6435e+006
+#       -Range: 0-300
+
+# 2-Hydroxypentanoate, C5H9O3-
+      + 1.0000 C4H9COOH + 0.5000 O2  =  C5H9O3-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.5918
+        -delta_h +175.770 kcal/mol
+        -analytic -3.4964e+001 -2.4619e-002 8.6213e+003 1.4743e+001 1.3454e+002
+#       -Range: 0-300
+
+# 2-Hydroxypentanoic, C5H10O3
+        + 1.0000 C4H9COOH + 0.5000 O2  =  C5H10O3
+        -llnl_gamma           3.0
+        log_k    -440.8552
+        -delta_h +175.340 kcal/mol
+        -analytic -4.8323e+001 -1.0534e-002 1.1616e+004 1.6913e+001 -2.3478e+005
+#       -Range: 0-300
+
+# 2-Octanone, C8H16O
+#       + 8.0000 CH3COCH3  =  C8H16O  + 2.5000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -2505.4468
+#        -delta_h +90.560 kcal/mol
+#        -analytic 3.9776e+002 7.5718e-002 -7.4592e+004 -1.4798e+002 2.2610e+006
+#       -Range: 0-300
+
+# 2-Pentanone, C5H10O
+#       + 5.0000 CH3COCH3  =  C5H10O  + 1.0000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -1527.6549
+#        -delta_h +73.460 kcal/mol
+#       -analytic 2.2603e+002 3.9343e-002 -3.3782e+004 -8.3253e+001 1.1722e+006
+#       -Range: 0-300
+
+# Acetaldehyde, CH3CHO
+        + 1.0000 CH3COOH  =  CH3CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -188.3673
+        -delta_h +50.380 kcal/mol
+        -analytic 2.3139e+001 9.8759e-003 -1.4924e+004 -9.4191e+000 8.0783e+004
+#       -Range: 0-300
+
+# Acetamide, CH3CONH2
+      + 1.0000 NH3 + 1.0000 CH3COOH  =  CH3CONH2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    +4.6947
+        -delta_h +77.290 kcal/mol
+        -analytic 2.4852e+001 5.3426e-003 1.3023e+003 -1.0554e+001 2.0315e+001
+#       -Range: 0-300
+
+# CH3COCH3, CH3COCH3
+      + 3.0000 HCO3- + 3.0000 H+  =  CH3COCH3  + 4.0000 O2
+        -llnl_gamma           3.0
+        log_k    -291.8554
+        -delta_h +61.720 kcal/mol
+        -analytic -2.5990E+03 -4.4302E-01 -5.7126E+02 9.8637E+02 -1.6901E-01
+#       -Range: 0-300
+
+# Adipate, C6H8O4-2
+    + 3.0000 CH3COOH  =  C6H8O4-2  + 2.0000 H+  + 1.0000 H2O  + 0.5000 O2
+        -llnl_gamma           4.0
+        log_k    -9.8223
+        -delta_h +227.780 kcal/mol
+        -analytic -1.6044e+002 -7.4583e-002 -9.1669e+003 6.5454e+001 -1.4299e+002
+#       -Range: 0-300
+
+# Adipic_acid, C6H10O4
+      + 3.0000 CH3COOH  =  C6H10O4  + 1.0000 H2O  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -467.5962
+        -delta_h +229.750 kcal/mol
+        -analytic -4.7527e+001 -1.3717e-002 -1.0191e+004 1.7857e+001 -1.5900e+002
+#       -Range: 0-300
+
+# Alanine, C3H7NO2
+  + 1.0000 NH3 + 3.0000 HCO3- + 3.0000 H+  =  C3H7NO2  + 1.0000 H2O  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -215.2132
+        -delta_h +132.130 kcal/mol
+        -analytic -1.8686E+03 -3.1237E-01 -5.4608E+02 7.0646E+02 -8.7774E-03
+#       -Range 0-300
+
+# Alanylglycine, C5H10N2O3
+    + 2.5000 C2H5NO2  =  C5H10N2O3  + 0.7500 O2  + 0.5000 H2O  + 0.5000 NH3
+        -llnl_gamma           3.0
+        log_k    -326.317
+        -delta_h +186.110 kcal/mol
+        -analytic 1.4154e+001 1.2917e-002 -2.0305e+004 -5.2689e+000 6.4481e+005
+#       -Range: 0-300
+
+# Asparagine, C4H8N2O3
+        + 2.0000 C2H5NO2  =  C4H8N2O3  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    +5.9386
+        -delta_h +186.660 kcal/mol
+        -analytic -1.7915e+001 8.7354e-004 2.1119e+003 6.1432e+000 1.1658e+005
+#       -Range: 0-300
+
+# Aspartic_acid, C4H7NO4
+        + 2.0000 C2H5NO2  =  C4H7NO4  + 1.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +1.1340
+        -delta_h +226.370 kcal/mol
+        -analytic -1.6456e+001 1.7980e-003 2.4086e+002 6.0721e+000 1.0866e+005
+#       -Range: 0-300
+
+# Azelaic_acid, C9H16O4
+      + 4.5000 CH3COOH  =  C9H16O4  + 2.0000 O2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -795.8139
+        -delta_h +240.700 kcal/mol
+        -analytic 2.0346e+002 2.5843e-002 -6.2187e+004 -7.1175e+001 1.4838e+006
+#       -Range: 0-300
+
+# Azelate, C9H14O4-2
+    + 4.5000 CH3COOH  =  C9H14O4-2  + 2.0000 H+  + 2.0000 O2  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -9.9176
+        -delta_h +241.660 kcal/mol
+        -analytic -2.5031e+002 -7.0995e-002 -3.9050e+004 9.5249e+001 -6.0927e+002
+#       -Range: 0-300
+
+# Ba(Ala)+, Ba(C3H6NO2)+
+      + 1.0000 Ba+2 + 1.0000 C3H7NO2  =  Ba(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.3949
+        -delta_h +243.703 kcal/mol
+        -analytic -1.9975e+001 5.8683e-003 -3.7242e+003 7.5785e+000 2.2969e+005
+#       -Range: 0-300
+
+# Ba(Ala)2, Ba(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Ba+2  =  Ba(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -19.3096
+        -delta_h +359.051 kcal/mol
+        -analytic 1.0973e+002 1.7563e-002 -2.0507e+004 -3.3504e+001 1.5490e+006
+#       -Range: 0-300
+
+# Ba(But)+, Ba(CH3(CH2)2CO2)+
+      + 1.0000 C3H7COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8378
+        -delta_h +253.285 kcal/mol
+        -analytic -1.6992e+001 3.8062e-003 -1.7104e+003 5.2858e+000 3.2839e+005
+#       -Range: 0-300
+
+# Ba(But)2, Ba(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.9857
+        -delta_h +378.066 kcal/mol
+        -analytic -2.9726e+000 1.9119e-003 -9.5963e+003 3.7172e+000 1.3721e+006
+#       -Range: 0-300
+
+# Ba(For)+, Ba(CHO2)+
+      + 1.0000 HCOOH + 1.0000 Ba+2  =  Ba(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3727
+        -delta_h +228.918 kcal/mol
+        -analytic 8.0004e-001 1.5487e-003 -2.7467e+002 -1.0939e+000 -4.2863e+000
+#       -Range: 0-300
+
+# Ba(For)2, Ba(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Ba+2  =  Ba(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.296
+        -delta_h +329.933 kcal/mol
+        -analytic 3.4358e+001 -2.1439e-003 -4.0534e+003 -1.1596e+001 2.9161e+005
+#       -Range: 0-300
+
+# Ba(Gly)+, Ba(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Ba+2  =  Ba(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.2881
+        -delta_h +235.808 kcal/mol
+        -analytic -4.3238e+000 8.7896e-003 -3.1933e+003 1.1733e+000 1.0974e+005
+#       -Range: 0-300
+
+# Ba(Gly)2, Ba(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Ba+2  =  Ba(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -17.1868
+        -delta_h +343.302 kcal/mol
+        -analytic 3.6958e+001 8.4550e-003 -1.2694e+004 -9.4136e+000 8.1935e+005
+#       -Range: 0-300
+
+# Ba(Glyc)+, Ba(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Ba+2  =  Ba(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.8338
+        -delta_h +282.924 kcal/mol
+        -analytic -1.6504e+001 4.4210e-004 -4.2741e+002 5.3311e+000 1.5913e+005
+#       -Range: 0-300
+
+# Ba(Glyc)2, Ba(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Ba+2  =  Ba(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.9674
+        -delta_h +436.833 kcal/mol
+        -analytic 5.7805e+000 -1.9337e-003 -5.5632e+003 -3.9310e-001 7.5344e+005
+#       -Range: 0-300
+
+# Ba(Lac)+, Ba(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Ba+2  =  Ba(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.223
+        -delta_h +291.416 kcal/mol
+        -analytic -1.3618e+001 2.4575e-003 -1.0433e+003 4.2488e+000 2.3666e+005
+#       -Range: 0-300
+
+# Ba(Lac)2, Ba(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Ba+2  =  Ba(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.6762
+        -delta_h +453.654 kcal/mol
+        -analytic 1.1971e+001 8.0125e-004 -7.9857e+003 -1.7124e+000 1.0808e+006
+#       -Range: 0-300
+
+# Ba(Pent)+, Ba(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.0673
+        -delta_h +259.492 kcal/mol
+        -analytic -3.4714e+001 4.4831e-003 -2.0568e+003 1.1920e+001 5.1000e+005
+#       -Range: 0-300
+
+# Ba(Pent)2, Ba(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Ba+2  =  Ba(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.4241
+        -delta_h +389.909 kcal/mol
+        -analytic -3.2583e+001 3.5113e-003 -1.2204e+004 1.6052e+001 1.9881e+006
+#       -Range: 0-300
+
+# Ba(Prop)+, Ba(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Ba+2  =  Ba(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.7462
+        -delta_h +248.190 kcal/mol
+        -analytic -5.3032e+000 4.7638e-003 -2.1690e+003 1.1454e+000 3.1960e+005
+#       -Range: 0-300
+
+# Ba(Prop)2, Ba(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Ba+2  =  Ba(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.823
+        -delta_h +368.336 kcal/mol
+        -analytic -1.3636e+001 2.7509e-004 -7.6760e+003 6.8362e+000 1.1194e+006
+#       -Range: 0-300
+
+# Benzene, C6H6
+    + 6.0000 HCO3- + 6.0000 H+  =  C6H6  + 3.0000 H2O  + 7.5 O2
+        -llnl_gamma           3.0
+        log_k    -537.502
+        -delta_h -12.23 kcal/mol
+        -analytic -4.7749E+03 -8.0212E-01 -6.4755E+02 1.8097E+03 -7.4941E-01
+#       -Range: 0-300
+
+# Benzoate, C7H5O2-
+    + 3.5000 CH3COOH  =  C7H5O2-  + 4.0000 H2O  + 1.0000 H+  + 0.5000 O2
+        -llnl_gamma           6.0
+        log_k    -4.2001
+        -delta_h +84.990 kcal/mol
+        -analytic -1.6676e+002 -3.8444e-002 -5.4403e+003 6.2663e+001 -8.4843e+001
+#       -Range: 0-300
+
+# Benzoic_acid, C7H6O2
+      + 3.5000 CH3COOH  =  C7H6O2  + 4.0000 H2O  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -534.1773
+        -delta_h +85.070 kcal/mol
+        -analytic 1.5144e+001 3.5834e-003 -1.3334e+004 -5.4195e+000 4.1964e+005
+#       -Range: 0-300
+
+# Butanal, CH3(CH2)2CHO
+      + 1.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)2CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -406.1993
+        -delta_h +61.070 kcal/mol
+        -analytic -1.2090e+001 -8.7356e-004 -9.4627e+003 3.4311e+000 -1.4765e+002
+#       -Range: 0-300
+
+# Butanoate, C3H7COO-
+        + 1.0000 C3H7COOH  =  C3H7COO-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8085
+        -delta_h +128.630 kcal/mol
+        -analytic -8.2788e+001 -2.9877e-002 1.7558e+003 3.2727e+001 2.7421e+001
+#       -Range: 0-300
+
+# Butanoic_acid, C3H7COOH
+      + 4.0000 HCO3- + 4.0000 H+  =  C3H7COOH  + 5.0000 O2
+        -llnl_gamma           3.0
+        log_k    -358.9446
+        -delta_h +127.950 kcal/mol
+        -analytic -3.1892E+03 -5.4023E-01 -5.9261E+02 1.2095E+03 -3.5739E-01
+#       -Range: 0-300
+
+# Ca(Ala)+, Ca(C3H6NO2)+
+      + 1.0000 Ca+2 + 1.0000 C3H7NO2  =  Ca(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.1245
+        -delta_h +247.083 kcal/mol
+        -analytic 1.6971e+001 9.5706e-003 -6.1936e+003 -5.4079e+000 4.6397e+005
+#       -Range: 0-300
+
+# Ca(Ala)2, Ca(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Ca+2  =  Ca(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -18.8192
+        -delta_h +364.714 kcal/mol
+        -analytic 2.3029e+001 8.5155e-003 -1.5061e+004 -3.5999e+000 1.3386e+006
+#       -Range: 0-300
+
+# Ca(But)+, Ca(CH3(CH2)2CO2)+
+      + 1.0000 Ca+2 + 1.0000 C3H7COOH  =  Ca(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.2976
+        -delta_h +257.034 kcal/mol
+        -analytic -2.5048e+001 1.5166e-003 -1.4808e+003 8.3797e+000 4.0411e+005
+#       -Range: 0-300
+
+# Ca(But)2, Ca(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.9955
+        -delta_h +384.411 kcal/mol
+        -analytic 2.0646e+000 5.8047e-003 -9.1382e+003 5.9558e-001 1.4594e+006
+#       -Range: 0-300
+
+# Ca(For)+, Ca(CHO2)+
+      + 1.0000 HCOOH + 1.0000 Ca+2  =  Ca(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3229
+        -delta_h +231.998 kcal/mol
+        -analytic 2.9298e+000 9.5453e-004 -6.9686e+002 -1.7506e+000 1.0103e+005
+#       -Range: 0-300
+
+# Ca(For)2, Ca(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Ca+2  =  Ca(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2058
+        -delta_h +335.050 kcal/mol
+        -analytic 2.6958e+001 -7.2777e-005 -3.1911e+003 -1.0215e+001 3.4188e+005
+#       -Range: 0-300
+
+# Ca(Gly)+, Ca(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Ca+2  =  Ca(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.4281
+        -delta_h +238.629 kcal/mol
+        -analytic 9.6784e+000 9.2419e-003 -4.5102e+003 -3.5460e+000 2.7110e+005
+#       -Range: 0-300
+
+# Ca(Gly)2, Ca(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Ca+2  =  Ca(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -17.4463
+        -delta_h +347.942 kcal/mol
+        -analytic 4.7335e+001 1.2694e-002 -1.3050e+004 -1.4305e+001 9.4368e+005
+#       -Range: 0-300
+
+# Ca(Glyc)+, Ca(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Ca+2  =  Ca(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1836
+        -delta_h +285.318 kcal/mol
+        -analytic -6.6096e+000 1.5353e-003 -1.1777e+003 2.0325e+000 2.5764e+005
+#       -Range: 0-300
+
+# Ca(Glyc)2, Ca(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Ca+2  =  Ca(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.777
+        -delta_h +441.481 kcal/mol
+        -analytic 1.5520e+001 2.3781e-003 -5.6732e+003 -4.6723e+000 8.5347e+005
+#       -Range: 0-300
+
+# Ca(Lac)+, Ca(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Ca+2  =  Ca(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.4431
+        -delta_h +294.436 kcal/mol
+        -analytic -1.3975e+001 1.7379e-003 -1.2135e+003 4.6597e+000 3.1702e+005
+#       -Range: 0-300
+
+# Ca(Lac)2, Ca(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Ca+2  =  Ca(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2461
+        -delta_h +459.217 kcal/mol
+        -analytic -1.6205e+001 -2.3672e-004 -5.8180e+003 7.5258e+000 1.0619e+006
+#       -Range: 0-300
+
+# Ca(Pent)+, Ca(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.5674
+        -delta_h +263.187 kcal/mol
+        -analytic -3.1543e+001 3.4804e-003 -2.5576e+003 1.1076e+001 6.3392e+005
+#       -Range: 0-300
+
+# Ca(Pent)2, Ca(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Ca+2  =  Ca(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.5042
+        -delta_h +396.159 kcal/mol
+        -analytic -3.4318e+001 6.3122e-003 -1.1437e+004 1.5421e+001 2.0603e+006
+#       -Range: 0-300
+
+# Ca(Prop)+, Ca(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Ca+2  =  Ca(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.2163
+        -delta_h +251.925 kcal/mol
+        -analytic -1.1303e+001 2.9020e-003 -2.0209e+003 3.4533e+000 3.9745e+005
+#       -Range: 0-300
+
+# Ca(Prop)2, Ca(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Ca+2  =  Ca(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.8533
+        -delta_h +374.653 kcal/mol
+        -analytic -2.1746e+001 2.3077e-003 -6.4906e+003 8.4496e+000 1.1644e+006
+#       -Range: 0-300
+
+# Cd(Ala)+, Cd(C3H6NO2)+
+      + 1.0000 Cd+2 + 1.0000 C3H7NO2  =  Cd(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3348
+        -delta_h +141.016 kcal/mol
+        -analytic -1.0583e+001 3.9676e-003 -4.0210e+003 5.0485e+000 4.5101e+005
+#       -Range: 0-300
+
+# Cd(Ala)2, Cd(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Cd+2  =  Cd(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -11.8894
+        -delta_h +263.420 kcal/mol
+        -analytic 2.5164e+001 8.5032e-003 -1.3671e+004 -4.0957e+000 1.4600e+006
+#       -Range: 0-300
+
+# Cd(But)+, Cd(CH3(CH2)2CO2)+
+      + 1.0000 Cd+2 + 1.0000 C3H7COOH  =  Cd(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.2875
+        -delta_h +147.174 kcal/mol
+        -analytic -2.4575e+001 -8.5197e-006 -1.6709e+003 8.7040e+000 4.7765e+005
+#       -Range: 0-300
+
+# Cd(But)2, Cd(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.976
+        -delta_h +276.419 kcal/mol
+        -analytic -5.3701e+000 4.5291e-003 -8.6471e+003 3.5125e+000 1.5458e+006
+#       -Range: 0-300
+
+# Cd(For)+, Cd(CHO2)+
+      + 1.0000 HCOOH + 1.0000 Cd+2  =  Cd(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.9131
+        -delta_h +121.320 kcal/mol
+        -analytic -5.5574e-001 -1.0359e-003 -8.1506e+002 -3.4199e-002 1.5786e+005
+#       -Range: 0-300
+
+# Cd(For)2, Cd(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Cd+2  =  Cd(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.6658
+        -delta_h +226.403 kcal/mol
+        -analytic 2.2826e+000 -3.7353e-003 -1.8618e+003 -1.1085e+000 3.7009e+005
+#       -Range: 0-300
+
+# Cd(Gly)+, Cd(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Cd+2  =  Cd(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.0885
+        -delta_h +132.088 kcal/mol
+        -analytic -1.0697e+001 4.7244e-003 -2.8241e+003 4.2651e+000 2.7816e+005
+#       -Range: 0-300
+
+# Cd(Gly)2, Cd(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Cd+2  =  Cd(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -11.1564
+        -delta_h +246.607 kcal/mol
+        -analytic 1.7236e+001 8.4272e-003 -9.8265e+003 -3.4936e+000 9.5253e+005
+#       -Range: 0-300
+
+# Cd(Glyc)+, Cd(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Cd+2  =  Cd(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.9637
+        -delta_h +174.381 kcal/mol
+        -analytic -2.7570e+000 5.5464e-004 -1.7718e+003 1.1165e+000 3.3942e+005
+#       -Range: 0-300
+
+# Cd(Glyc)2, Cd(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Cd+2  =  Cd(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.3775
+        -delta_h +331.279 kcal/mol
+        -analytic 1.7413e+001 2.4215e-003 -6.1858e+003 -5.1146e+000 9.6988e+005
+#       -Range: 0-300
+
+# Cd(Lac)+, Cd(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Cd+2  =  Cd(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1631
+        -delta_h +183.519 kcal/mol
+        -analytic -1.3237e+001 2.9922e-004 -1.6309e+003 4.8863e+000 3.8920e+005
+#       -Range: 0-300
+
+# Cd(Lac)2, Cd(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Cd+2  =  Cd(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.736
+        -delta_h +349.085 kcal/mol
+        -analytic -1.7558e+001 -6.8972e-004 -6.1408e+003 8.2844e+000 1.1691e+006
+#       -Range: 0-300
+
+# Cd(Pent)+, Cd(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.237
+        -delta_h +153.764 kcal/mol
+        -analytic -1.4232e+001 4.3507e-003 -3.5842e+003 5.3294e+000 7.6047e+005
+#       -Range: 0-300
+
+# Cd(Pent)2, Cd(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Cd+2  =  Cd(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.0742
+        -delta_h +288.726 kcal/mol
+        -analytic -3.1302e+001 6.5168e-003 -1.1405e+004 1.4573e+001 2.1801e+006
+#       -Range: 0-300
+
+# Cd(Prop)+, Cd(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Cd+2  =  Cd(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0068
+        -delta_h +142.338 kcal/mol
+        -analytic -1.1700e+001 1.3228e-003 -2.0826e+003 4.0674e+000 4.6555e+005
+#       -Range: 0-300
+
+# Cd(Prop)2, Cd(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Cd+2  =  Cd(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.5531
+        -delta_h +267.043 kcal/mol
+        -analytic -2.7887e+001 1.1740e-003 -6.0022e+003 1.0916e+001 1.2569e+006
+#       -Range: 0-300
+
+# Co(Ala)+, Co(C3H6NO2)+
+      + 1.0000 Co+2 + 1.0000 C3H7NO2  =  Co(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.6449
+        -delta_h +136.245 kcal/mol
+        -analytic -6.6326e+000 4.2270e-003 -4.1512e+003 3.5761e+000 4.2801e+005
+#       -Range: 0-300
+
+# Co(Ala)2, Co(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Co+2  =  Co(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -12.3196
+        -delta_h +259.272 kcal/mol
+        -analytic 3.7901e+001 1.0752e-002 -1.3519e+004 -9.4658e+000 1.3658e+006
+#       -Range: 0-300
+
+# Co(But)+, Co(CH3(CH2)2CO2)+
+      + 1.0000 Co+2 + 1.0000 C3H7COOH  =  Co(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0977
+        -delta_h +144.234 kcal/mol
+        -analytic -1.2926e+001 1.1374e-003 -1.9544e+003 4.2567e+000 4.9139e+005
+#       -Range: 0-300
+
+# Co(But)2, Co(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Co+2  =  Co(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.806
+        -delta_h +274.655 kcal/mol
+        -analytic -1.7789e+001 3.3292e-003 -6.6509e+003 6.8084e+000 1.3765e+006
+#       -Range: 0-300
+
+# Co(For)+, Co(CHO2)+
+      + 1.0000 HCOOH + 1.0000 Co+2  =  Co(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.8934
+        -delta_h +118.148 kcal/mol
+        -analytic 3.4604e+000 -7.0163e-004 -6.4686e+002 -1.8241e+000 1.3725e+005
+#       -Range: 0-300
+
+# Co(For)2, Co(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Co+2  =  Co(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.4259
+        -delta_h +223.371 kcal/mol
+        -analytic 4.6480e+000 -2.8123e-003 -9.5823e+002 -3.1486e+000 2.4710e+005
+#       -Range: 0-300
+
+# Co(Gly)+, Co(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Co+2  =  Co(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.7081
+        -delta_h +129.082 kcal/mol
+        -analytic -6.1033e+000 4.7861e-003 -2.7304e+003 2.4628e+000 2.7041e+005
+#       -Range: 0-300
+
+# Co(Gly)2, Co(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Co+2  =  Co(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.4666
+        -delta_h +243.427 kcal/mol
+        -analytic 3.7958e+001 1.1767e-002 -9.8791e+003 -1.1599e+001 8.8179e+005
+#       -Range: 0-300
+
+# Co(Glyc)+, Co(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Co+2  =  Co(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.8538
+        -delta_h +171.331 kcal/mol
+        -analytic -5.3556e+000 -1.8875e-004 -1.2450e+003 1.7558e+000 3.0214e+005
+#       -Range: 0-300
+
+# Co(Glyc)2, Co(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Co+2  =  Co(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.1774
+        -delta_h +329.556 kcal/mol
+        -analytic 2.1760e+000 8.7672e-004 -4.0049e+003 -8.2381e-001 7.8900e+005
+#       -Range: 0-300
+
+# Co(Lac)+, Co(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Co+2  =  Co(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.5032
+        -delta_h +179.856 kcal/mol
+        -analytic -8.0185e+000 4.8796e-004 -1.7264e+003 2.7704e+000 3.8387e+005
+#       -Range: 0-300
+
+# Co(Lac)2, Co(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Co+2  =  Co(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2359
+        -delta_h +346.408 kcal/mol
+        -analytic 2.9324e+000 2.8527e-003 -6.1528e+003 -3.0383e-001 1.1020e+006
+#       -Range: 0-300
+
+# Co(Pent)+, Co(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Co+2  =  Co(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.1571
+        -delta_h +150.673 kcal/mol
+        -analytic -2.2797e+001 2.4832e-003 -2.8121e+003 8.2127e+000 7.1396e+005
+#       -Range: 0-300
+
+# Co(Pent)2, Co(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Co+2  =  Co(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.924
+        -delta_h +286.935 kcal/mol
+        -analytic -3.2956e+001 6.8817e-003 -1.0002e+004 1.3976e+001 2.0436e+006
+#       -Range: 0-300
+
+# Co(Prop)+, Co(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Co+2  =  Co(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.5866
+        -delta_h +138.347 kcal/mol
+        -analytic -5.0563e+000 1.9295e-003 -2.2644e+003 1.3628e+000 4.5635e+005
+#       -Range: 0-300
+
+# Co(Prop)2, Co(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Co+2  =  Co(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.6929
+        -delta_h +263.492 kcal/mol
+        -analytic -1.4853e+001 3.7021e-003 -5.7739e+003 4.9977e+000 1.1637e+006
+#       -Range: 0-300
+
+# Cu(Ala)+, Cu(C3H6NO2)+
+      + 1.0000 Cu+2 + 1.0000 C3H7NO2  =  Cu(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.8545
+        -delta_h +109.970 kcal/mol
+        -analytic -1.1698e+001 4.4099e-003 -2.4550e+003 5.1251e+000 3.6414e+005
+#       -Range: 0-300
+
+# Cu(Ala)2, Cu(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Cu+2  =  Cu(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3297
+        -delta_h +237.360 kcal/mol
+        -analytic -1.2813e+001 3.4309e-003 -8.8197e+003 9.0075e+000 1.2248e+006
+#       -Range: 0-300
+
+# Cu(But)+, Cu(CH3(CH2)2CO2)+
+      + 1.0000 Cu+2 + 1.0000 C3H7COOH  =  Cu(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.6982
+        -delta_h +114.768 kcal/mol
+        -analytic 1.9946e+000 3.2893e-003 -2.6114e+003 -1.1028e+000 5.1836e+005
+#       -Range: 0-300
+
+# Cu(But)2, Cu(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.0656
+        -delta_h +245.176 kcal/mol
+        -analytic -2.8831e+001 1.5210e-003 -6.1416e+003 1.1151e+001 1.3647e+006
+#       -Range: 0-300
+
+# Cu(For)+, CuCHO2+
+      + 1.0000 HCOOH + 1.0000 Cu+2  =  CuCHO2+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.7731
+        -delta_h +88.300 kcal/mol
+        -analytic 1.8727e+000 -1.0020e-003 -5.0154e+002 -1.1966e+000 1.1576e+005
+#       -Range: 0-300
+
+# Cu(For)2, Cu(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Cu+2  =  Cu(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.206
+        -delta_h +193.183 kcal/mol
+        -analytic 7.4586e+000 -2.6644e-003 -1.3786e+003 -3.7935e+000 2.8017e+005
+#       -Range: 0-300
+
+# Cu(Gly)+, Cu(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Cu+2  =  Cu(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.208
+        -delta_h +102.408 kcal/mol
+        -analytic -1.2098e+001 4.5923e-003 -1.3603e+003 4.7714e+000 2.0346e+005
+#       -Range: 0-300
+
+# Cu(Gly)2, Cu(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Cu+2  =  Cu(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.7266
+        -delta_h +221.770 kcal/mol
+        -analytic -6.9393e+000 5.1196e-003 -5.7575e+003 5.0366e+000 7.6022e+005
+#       -Range: 0-300
+
+# Cu(Glyc)+, Cu(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Cu+2  =  Cu(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -0.9434
+        -delta_h +142.561 kcal/mol
+        -analytic -8.4029e+000 -5.9451e-004 -7.5383e+002 2.8746e+000 2.7225e+005
+#       -Range: 0-300
+
+# Cu(Glyc)2, Cu(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Cu+2  =  Cu(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0075
+        -delta_h +300.664 kcal/mol
+        -analytic -9.6849e+000 -1.0687e-003 -3.3286e+003 3.8217e+000 7.7552e+005
+#       -Range: 0-300
+
+# Cu(Lac)+, Cu(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Cu+2  =  Cu(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.3033
+        -delta_h +151.481 kcal/mol
+        -analytic -1.1811e+001 3.4701e-005 -1.0895e+003 4.1370e+000 3.4922e+005
+#       -Range: 0-300
+
+# Cu(Lac)2, Cu(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Cu+2  =  Cu(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.5756
+        -delta_h +318.184 kcal/mol
+        -analytic -9.7842e+000 7.7321e-004 -5.2869e+003 4.6546e+000 1.0864e+006
+#       -Range: 0-300
+
+# Cu(Pent)+, Cu(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.7473
+        -delta_h +121.221 kcal/mol
+        -analytic -1.5283e+001 3.6782e-003 -3.0281e+003 5.4906e+000 7.1403e+005
+#       -Range: 0-300
+
+# Cu(Pent)2, Cu(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Cu+2  =  Cu(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.1741
+        -delta_h +257.470 kcal/mol
+        -analytic -2.9542e+001 7.1204e-003 -1.0296e+004 1.3112e+001 2.0784e+006
+#       -Range: 0-300
+
+# Cu(Prop)+, Cu(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Cu+2  =  Cu(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.6762
+        -delta_h +109.577 kcal/mol
+        -analytic -1.3220e+001 7.8363e-004 -1.4925e+003 4.3301e+000 4.1063e+005
+#       -Range: 0-300
+
+# Cu(Prop)2, Cu(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Cu+2  =  Cu(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.0326
+        -delta_h +235.268 kcal/mol
+        -analytic -1.0718e+001 3.9487e-003 -5.8699e+003 3.9089e+000 1.2053e+006
+#       -Range: 0-300
+
+# Decanal, CH3(CH2)8CHO
+      + 4.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)8CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -1058.134
+        -delta_h +95.290 kcal/mol
+        -analytic -7.6767e+001 -2.9579e-002 4.2940e+003 2.8063e+001 6.7027e+001
+#       -Range: 0-300
+
+# Decanoate, C10H19O2-
+      + 5.0000 CH3COOH  =  C10H19O2-  + 4.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.9185
+        -delta_h +162.700 kcal/mol
+        -analytic -3.1511e+002 -2.1029e-002 -7.6356e+004 1.0982e+002 -1.1914e+003
+#       -Range: 0-300
+
+# Decanoic_acid, C10H20O2
+        + 5.0000 CH3COOH  =  C10H20O2  + 4.0000 O2
+        -llnl_gamma           3.0
+        log_k    -1010.8207
+        -delta_h +162.200 kcal/mol
+        -analytic 1.9927e+002 4.5966e-002 -1.0812e+005 -7.0739e+001 2.1239e+006
+#       -Range: 0-300
+
+# Diglycine, C4H8N2O3
+        + 2.0000 C2H5NO2  =  C4H8N2O3  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -2.5863
+        -delta_h +175.640 kcal/mol
+        -analytic -9.6588e+000 2.9406e-003 -1.1504e+003 3.1397e+000 2.0330e+005
+#       -Range: 0-300
+
+# Diketopiperazine, C4H6N2O2
+        + 2.0000 C2H5NO2  =  C4H6N2O2  + 2.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -4.7063
+        -delta_h +99.300 kcal/mol
+        -analytic 3.4352e+000 4.6987e-003 -3.2032e+003 -4.8114e-001 2.1265e+005
+#       -Range: 0-300
+
+# Dodecanoate, C12H23O2-
+      + 6.0000 CH3COOH  =  C12H23O2-  + 5.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.9185
+        -delta_h -174.04 kcal/mol
+        -analytic 5.7006e+002 1.0646e-001 -1.5130e+005 -2.0765e+002 3.4121e+006
+#       -Range: 0-300
+
+# Dodecanoic_acid, C12H24O2
+        + 6.0000 CH3COOH  =  C12H24O2  + 5.0000 O2
+        -llnl_gamma           3.0
+        log_k    -1228.1689
+        -delta_h +173.540 kcal/mol
+        -analytic 6.5537e+002 1.1671e-001 -1.5726e+005 -2.3542e+002 3.8794e+006
+#       -Range: 0-300
+
+# Ethanamine, C2H5NH2
+    + 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+  =  C2H5NH2  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -223.647
+        -delta_h +23.830 kcal/mol
+        -analytic -1.9599E+03 -3.3677E-01 -5.4980E+02 7.4290E+02 -4.9475E-02
+#       -Range: 0-300
+
+# Ethane, C2H6
+    + 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+  =  C2H6  + 3.5000 O2
+        -llnl_gamma           3.0
+        log_k    -254.5034
+        -delta_h +24.650 kcal/mol
+        -analytic -2.2475E+03 -3.8473E-01 -5.6009E+02 8.5243E+02 -1.2340E-01
+#       -Range: 0-300
+
+# Ethanol, C2H5OH
+    + 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+  =  C2H5OH  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -224.1415
+        -delta_h +68.650 kcal/mol
+        -analytic -1.9805E+03 -3.3932E-01 -5.5095E+02 7.5133E+02 -5.5268E-02
+#       -Range: 0-300
+
+# Ethyne, C2H2
+    + 2.0000 HCO3- + 2.0000 H+  =  C2H2  + 1.0000 H2O  + 2.5000 O2
+        -llnl_gamma           3.0
+        log_k    -209.3843
+        -delta_h -50.7 kcal/mol
+        -analytic -1.8747E+03 -3.1966E-01 -5.4744E+02 7.1215E+02 -3.1389E-02
+#       -Range: 0-300
+
+# Ethylacetate, CH3COOCH2CH3
+        + 1.0000 C2H4 + 1.0000 CH3COOH  =  CH3COOCH2CH3
+        -llnl_gamma           3.0
+        log_k    +2.9247
+        -delta_h +116.840 kcal/mol
+        -analytic -1.2558e+001 -3.4591e-003 2.2166e+003 3.6667e+000 3.4592e+001
+#       -Range: 0-300
+
+# Ethylbenzene, C6H5C2H5
+#      + 4.0000 C6H6 + 3.0000 H2O  =  C6H5C2H5  + 1.5000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -2256.5242
+#        -delta_h +2.500 kcal/mol
+#        -analytic 2.7546e+002 5.0556e-002 -4.5964e+004 -1.0201e+002 8.4857e+005
+#       -Range: 0-300
+
+# Eu(Ala)+, Eu(C3H6NO2)+
+      + 1.0000 Eu+2 + 1.0000 C3H7NO2  =  Eu(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.2139
+        -delta_h +242.060 kcal/mol
+        -analytic 1.4058e+001 1.0581e-002 -6.6420e+003 -4.0654e+000 5.2699e+005
+#       -Range: 0-300
+
+# Eu(Ala)2, Eu(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Eu+2  =  Eu(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -18.7503
+        -delta_h +358.510 kcal/mol
+        -analytic 1.3352e+001 7.6973e-003 -1.7130e+004 1.7787e+000 1.6606e+006
+#       -Range: 0-300
+
+# Eu(But)+, Eu(CH3(CH2)2CO2)+
+      + 1.0000 Eu+2 + 1.0000 C3H7COOH  =  Eu(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.538
+        -delta_h +251.804 kcal/mol
+        -analytic -1.5879e+001 3.8795e-003 -2.7555e+003 5.4947e+000 5.2007e+005
+#       -Range: 0-300
+
+# Eu(But)+2, Eu(CH3(CH2)2CO2)+2
+      + 1.0000 Eu+3 + 1.0000 C3H7COOH  =  Eu(CH3(CH2)2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.048
+        -delta_h +276.036 kcal/mol
+        -analytic -9.7855e+000 1.8979e-003 -2.3175e+003 3.4425e+000 5.7272e+005
+#       -Range: 0-300
+
+# Eu(But)2, Eu(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Eu+2  =  Eu(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.5254
+        -delta_h +377.392 kcal/mol
+        -analytic 1.1271e+001 7.7268e-003 -1.2418e+004 -8.4949e-001 1.8391e+006
+#       -Range: 0-300
+
+# Eu(But)2+, Eu(CH3(CH2)2CO2)2+
+      + 2.0000 C3H7COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.876
+        -delta_h +405.964 kcal/mol
+        -analytic -3.4218e+000 7.6886e-003 -6.2895e+003 1.1718e+000 1.2875e+006
+#       -Range: 0-300
+
+# Eu(For)+, EuCHO2+
+      + 1.0000 HCOOH + 1.0000 Eu+2  =  EuCHO2+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.353
+        -delta_h +227.054 kcal/mol
+        -analytic -3.3218e+000 9.1062e-004 -1.1082e+003 9.9294e-001 1.7476e+005
+#       -Range: 0-300
+
+# Eu(For)+2, EuCHO2+2
+      + 1.0000 HCOOH + 1.0000 Eu+3  =  EuCHO2+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -0.9632
+        -delta_h +249.786 kcal/mol
+        -analytic 1.3475e+000 -5.3304e-004 -7.1045e+002 -7.9702e-001 1.9639e+005
+#       -Range: 0-300
+
+# Eu(For)2, Eu(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Eu+2  =  Eu(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.7961
+        -delta_h +329.314 kcal/mol
+        -analytic 2.0204e+001 -4.0598e-004 -5.2985e+003 -5.9131e+000 6.6991e+005
+#       -Range: 0-300
+
+# Eu(For)2+, Eu(CHO2)2+
+      + 2.0000 HCOOH + 1.0000 Eu+3  =  Eu(CHO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.7158
+        -delta_h +354.544 kcal/mol
+        -analytic 4.1316e+000 -3.0069e-003 -3.8235e+002 -2.6986e+000 1.7945e+005
+#       -Range: 0-300
+
+# Eu(Gly)+, Eu(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Eu+2  =  Eu(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.1283
+        -delta_h +234.136 kcal/mol
+        -analytic -1.3352e+001 7.3561e-003 -3.7321e+003 5.0576e+000 2.7090e+005
+#       -Range: 0-300
+
+# Eu(Gly)2, Eu(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Eu+2  =  Eu(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -16.5066
+        -delta_h +342.929 kcal/mol
+        -analytic 2.6146e+001 1.0368e-002 -1.4175e+004 -4.8232e+000 1.2226e+006
+#       -Range: 0-300
+
+# Eu(Glyc)+, Eu(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Eu+2  =  Eu(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.5333
+        -delta_h +279.938 kcal/mol
+        -analytic -1.1341e+001 1.8436e-003 -1.7310e+003 4.1823e+000 3.3141e+005
+#       -Range: 0-300
+
+# Eu(Glyc)2, Eu(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Eu+2  =  Eu(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.757
+        -delta_h +433.849 kcal/mol
+        -analytic 2.6027e+000 1.1080e-003 -7.8729e+003 1.8735e+000 1.1647e+006
+#       -Range: 0-300
+
+# Eu(Lac)+, Eu(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Eu+2  =  Eu(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.9328
+        -delta_h +288.803 kcal/mol
+        -analytic -6.8714e+000 3.8415e-003 -2.4462e+003 2.5210e+000 4.2462e+005
+#       -Range: 0-300
+
+# Eu(Lac)2, Eu(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Eu+2  =  Eu(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.0656
+        -delta_h +451.723 kcal/mol
+        -analytic 1.5690e+000 2.8366e-003 -9.6953e+003 3.0359e+000 1.4716e+006
+#       -Range: 0-300
+
+# Eu(Pent)+, Eu(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Eu+2  =  Eu(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8569
+        -delta_h +257.888 kcal/mol
+        -analytic -1.8827e+001 6.5719e-003 -3.9749e+003 6.8334e+000 7.5209e+005
+#       -Range: 0-300
+
+# Eu(Pent)+2, Eu(CH3(CH2)3CO2)+2
+      + 1.0000 C4H9COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)3CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.0773
+        -delta_h +282.516 kcal/mol
+        -analytic -3.0633e+001 1.5481e-003 -2.5917e+003 1.1399e+001 7.6469e+005
+#       -Range: 0-300
+
+# Eu(Pent)2+, Eu(CH3(CH2)3CO2)2+
+      + 2.0000 C4H9COOH + 1.0000 Eu+3  =  Eu(CH3(CH2)3CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.9441
+        -delta_h +418.206 kcal/mol
+        -analytic -3.7682e+001 1.0658e-002 -8.0528e+003 1.4565e+001 1.8292e+006
+#       -Range: 0-300
+
+# Eu(Prop)+, Eu(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Eu+2  =  Eu(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.3262
+        -delta_h +246.872 kcal/mol
+        -analytic -1.9603e+001 2.7407e-003 -2.2921e+003 6.8757e+000 4.5820e+005
+#       -Range: 0-300
+
+# Eu(Prop)+2, Eu(CH3CH2CO2)+2
+      + 1.0000 C2H5COOH + 1.0000 Eu+3  =  Eu(CH3CH2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.0363
+        -delta_h +270.831 kcal/mol
+        -analytic -1.0272e+001 1.5651e-003 -1.9970e+003 3.5396e+000 5.0897e+005
+#       -Range: 0-300
+
+# Eu(Prop)2, Eu(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Eu+2  =  Eu(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.3927
+        -delta_h +367.621 kcal/mol
+        -analytic 4.1333e-001 5.9591e-003 -1.0532e+004 2.3781e+000 1.5907e+006
+#       -Range: 0-300
+
+# Eu(Prop)2+, Eu(CH3CH2CO2)2+
+      + 2.0000 C2H5COOH + 1.0000 Eu+3  =  Eu(CH3CH2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8628
+        -delta_h +396.115 kcal/mol
+        -analytic -1.7270e+001 4.2004e-003 -4.5560e+003 5.8571e+000 1.0648e+006
+#       -Range: 0-300
+
+# Fe(Ala)+, Fe(C3H6NO2)+
+      + 1.0000 Fe+2 + 1.0000 C3H7NO2  =  Fe(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.4374
+        -delta_h +145.225 kcal/mol
+        -analytic -6.8881e-001 4.8406e-003 -4.2771e+003 1.2355e+000 4.5422e+005
+#       -Range: 0-300
+
+# Fe(Ala)2, Fe(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Fe+2  =  Fe(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -12.0822
+        -delta_h +268.535 kcal/mol
+        -analytic 1.0817e+001 7.0057e-003 -1.1636e+004 -9.2499e-002 1.2704e+006
+#       -Range: 0-300
+
+# Fe(But)+, Fe(CH3(CH2)2CO2)+
+      + 1.0000 Fe+2 + 1.0000 C3H7COOH  =  Fe(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.2003
+        -delta_h +151.642 kcal/mol
+        -analytic -1.1468e+001 1.5002e-003 -2.0030e+003 3.6750e+000 4.8551e+005
+#       -Range: 0-300
+
+# Fe(But)2, Fe(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.998
+        -delta_h +281.765 kcal/mol
+        -analytic -2.8364e+001 1.7011e-003 -6.1151e+003 1.0670e+001 1.3334e+006
+#       -Range: 0-300
+
+# Fe(For)+, FeCHO2+
+      + 1.0000 HCOOH + 1.0000 Fe+2  =  FeCHO2+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.9256
+        -delta_h +125.651 kcal/mol
+        -analytic -4.2844e-001 -1.1907e-003 -4.0278e+002 -4.4791e-001 1.1757e+005
+#       -Range: 0-300
+
+# Fe(For)2, Fe(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Fe+2  =  Fe(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.4889
+        -delta_h +230.658 kcal/mol
+        -analytic 2.6286e+000 -3.2750e-003 -8.7717e+002 -2.3516e+000 2.3378e+005
+#       -Range: 0-300
+
+# Fe(Gly)+, Fe(C2H4NO2)+
+      + 1.0000 C2H5NO2 + 1.0000 Fe+2  =  Fe(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.4609
+        -delta_h +134.682 kcal/mol
+        -analytic -1.5456e+001 3.9367e-003 -2.4338e+003 5.8876e+000 2.1566e+005
+#       -Range: 0-300
+
+# Fe(Gly)2, Fe(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Fe+2  =  Fe(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -12.0191
+        -delta_h +248.527 kcal/mol
+        -analytic -4.9791e+000 5.5006e-003 -7.9837e+003 3.9747e+000 7.3594e+005
+#       -Range: 0-300
+
+# Fe(Glyc)+, Fe(CH3OCO2)+
+      + 1.0000 C2H4O3 + 1.0000 Fe+2  =  Fe(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.6566
+        -delta_h +179.149 kcal/mol
+        -analytic -1.1315e+001 -1.3546e-003 -9.1265e+002 4.0008e+000 2.8737e+005
+#       -Range: 0-300
+
+# Fe(Glyc)2, Fe(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Fe+2  =  Fe(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.8197
+        -delta_h +337.416 kcal/mol
+        -analytic -2.4214e+001 -3.9432e-003 -2.6649e+003 9.0425e+000 7.2466e+005
+#       -Range: 0-300
+
+# Fe(Lac)+, Fe(CH3CH2OCO2)+
+      + 1.0000 C3H6O3 + 1.0000 Fe+2  =  Fe(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.7453
+        -delta_h +188.437 kcal/mol
+        -analytic -1.4649e+001 -2.7787e-004 -1.0617e+003 5.0960e+000 3.5122e+005
+#       -Range: 0-300
+
+# Fe(Lac)2, Fe(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Fe+2  =  Fe(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.9788
+        -delta_h +355.495 kcal/mol
+        -analytic -1.6235e+001 -4.1634e-005 -4.7223e+003 6.6708e+000 1.0336e+006
+#       -Range: 0-300
+
+# Fe(Pent)+, Fe(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.2802
+        -delta_h +158.054 kcal/mol
+        -analytic -2.6685e+001 2.0954e-003 -2.5680e+003 9.5548e+000 6.9089e+005
+#       -Range: 0-300
+
+# Fe(Pent)2, Fe(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Fe+2  =  Fe(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.1571
+        -delta_h +293.990 kcal/mol
+        -analytic -4.2465e+001 5.3731e-003 -9.5476e+003 1.7464e+001 2.0055e+006
+#       -Range: 0-300
+
+# Fe(Prop)+, Fe(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Fe+2  =  Fe(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.289
+        -delta_h +146.301 kcal/mol
+        -analytic -7.3746e+000 1.6930e-003 -2.0030e+003 2.1641e+000 4.4097e+005
+#       -Range: 0-300
+
+# Fe(Prop)2, Fe(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Fe+2  =  Fe(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.1556
+        -delta_h +271.598 kcal/mol
+        -analytic -1.9694e+001 2.8321e-003 -5.3596e+003 6.8142e+000 1.1417e+006
+#       -Range: 0-300
+
+# Formaldehyde, HCHO
+      + 1.0000 CH3COOH  =  HCHO  + 0.5000 C2H4  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -86.5725
+        -delta_h +33.890 kcal/mol
+        -analytic 1.3515e+002 2.8915e-002 -2.5168e+004 -4.9725e+001 4.2808e+005
+#       -Range: 0-300
+
+# Formate, HCOO-
+        + 1.0000 HCOOH  =  HCOO-  + 1.0000 H+
+        -llnl_gamma           3.5
+        log_k    -3.753
+        -delta_h +101.680 kcal/mol
+        -analytic -9.4187e+001 -3.4616e-002 1.8918e+003 3.8145e+001 2.9547e+001
+#       -Range: 0-300
+
+# Formic_acid, HCOOH
+      HCO3- + H+ 1.0000  =  HCOOH  + 0.5O2 
+        -llnl_gamma           3.0
+        log_k    -39.0524
+        -delta_h +101.680 kcal/mol
+        -analytic -3.4508E+02 -4.9133E-02 -4.9396E+02 1.3024E+02 3.5416E-01
+#       -Range: 0-300
+
+# Gd(But)+2, Gd(CH3(CH2)2CO2)+2
+      + 1.0000 Gd+3 + 1.0000 C3H7COOH  =  Gd(CH3(CH2)2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1778
+        -delta_h +294.884 kcal/mol
+        -analytic -9.4460e+000 2.4870e-003 -2.3699e+003 3.2918e+000 5.6419e+005
+#       -Range: 0-300
+
+# Gd(But)2+, Gd(CH3(CH2)2CO2)2+
+      + 2.0000 C3H7COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.1157
+        -delta_h +424.078 kcal/mol
+        -analytic -1.4589e+001 7.2722e-003 -5.7356e+003 5.1448e+000 1.2310e+006
+#       -Range: 0-300
+
+# Gd(For)+2, GdCHO2+2
+      + 1.0000 Gd+3 + 1.0000 HCOOH  =  GdCHO2+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.0929
+        -delta_h +268.634 kcal/mol
+        -analytic -6.8541e-001 -3.3966e-004 -6.4856e+002 -7.2227e-002 1.8259e+005
+#       -Range: 0-300
+
+# Gd(For)2+, Gd(CHO2)2+
+      + 2.0000 HCOOH + 1.0000 Gd+3  =  Gd(CHO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.9562
+        -delta_h +372.659 kcal/mol
+        -analytic -3.5152e+000 -3.2979e-003 -1.3266e+002 1.3417e-001 1.4806e+005
+#       -Range: 0-300
+
+# Gd(Pent)+2, Gd(CH3(CH2)3CO2)+2
+      + 1.0000 C4H9COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)3CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.2071
+        -delta_h +301.364 kcal/mol
+        -analytic -2.8290e+001 2.4126e-003 -2.7617e+003 1.0531e+001 7.6352e+005
+#       -Range: 0-300
+
+# Gd(Pent)2+, Gd(CH3(CH2)3CO2)2+
+      + 2.0000 C4H9COOH + 1.0000 Gd+3  =  Gd(CH3(CH2)3CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.1846
+        -delta_h +436.320 kcal/mol
+        -analytic -5.3965e+001 9.5419e-003 -7.2168e+003 2.0378e+001 1.7572e+006
+#       -Range: 0-300
+
+# Gd(Prop)+2, GdCH3CH2CO2+2
+      + 1.0000 C2H5COOH + 1.0000 Gd+3  =  GdCH3CH2CO2+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1763
+        -delta_h +289.666 kcal/mol
+        -analytic -1.7869e+001 1.0366e-003 -1.6096e+003 6.2464e+000 4.7496e+005
+#       -Range: 0-300
+
+# Gd(Prop)2+, Gd(CH3CH2CO2)2+
+      + 2.0000 C2H5COOH + 1.0000 Gd+3  =  Gd(CH3CH2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.1127
+        -delta_h +414.216 kcal/mol
+        -analytic -4.1151e+001 1.7684e-003 -3.3631e+003 1.4486e+001 9.7618e+005
+#       -Range: 0-300
+
+# Glutamic_acid, C5H9NO4
+    + 2.5000 C2H5NO2 + 0.5000 H2O  =  C5H9NO4  + 1.5000 NH3  + 0.7500 O2
+        -llnl_gamma         3.0           3.0
+        log_k    -321.9443
+        -delta_h +232.000 kcal/mol
+        -analytic 1.3643e+002 3.2714e-002 -2.5437e+004 -4.8787e+001 7.4165e+005
+#       -Range: 0-300
+
+# Glutamine, C5H10N2O3
+    + 2.5000 C2H5NO2  =  C5H10N2O3  + 0.7500 O2  + 0.5000 H2O  + 0.5000 NH3
+        -llnl_gamma           3.0
+        log_k    +2.8622
+        -delta_h +192.330 kcal/mol
+        -analytic 8.7755e+001 2.3462e-002 -2.1760e+004 -3.1651e+001 7.0288e+005
+#       -Range: 0-300
+
+# Glutarate, C5H6O4-2
+      + 2.5000 CH3COOH  =  C5H6O4-2  + 2.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -9.7563
+        -delta_h +224.140 kcal/mol
+        -analytic -1.3762e+002 -7.5681e-002 1.3347e+003 5.7954e+001 2.0867e+001
+#       -Range: 0-300
+
+# Glutaric_acid, C5H8O4
+        + 2.5000 CH3COOH  =  C5H8O4  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -357.4964
+        -delta_h +223.440 kcal/mol
+        -analytic -9.9184e+000 -1.0441e-002 -1.9203e+001 4.2761e+000 -2.9671e-001
+#       -Range: 0-300
+
+# Glycine, C2H5NO2
+  + 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+  =  C2H5NO2  + 1.0000 H2O  + 1.5000 O2
+        -llnl_gamma           3.0
+        log_k    -108.1715
+        -delta_h +122.846 kcal/mol
+        -analytic -9.2863E+02 -1.5296E-01 -5.1446E+02 3.5064E+02 2.0391E-01
+#       -Range: 0-300
+
+# Glycolate, C2H3O3-
+        + 1.0000 C2H4O3  =  C2H3O3-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.8336
+        -delta_h +154.700 kcal/mol
+        -analytic -9.9557e+001 -3.6800e-002 1.9551e+003 4.0462e+001 3.0537e+001
+#       -Range: 0-300
+
+# Glycolic_acid, C2H4O3
+      + 2.0000 HCO3- + 2.0000 H+  =  C2H4O3  + 1.5000 O2
+        -llnl_gamma           3.0
+        log_k    -117.3507
+        -delta_h +154.890 kcal/mol
+        -analytic -1.0189E+03 -1.6160E-01 -5.1773E+02 3.8447E+02 1.7876E-01
+#       -Range: 0-300
+
+# H-Adipate, C6H9O4-
+    + 3.0000 CH3COOH  =  C6H9O4-  + 1.0000 H+  + 1.0000 H2O  + 0.5000 O2
+        -llnl_gamma           4.0
+        log_k    -4.4127
+        -delta_h +227.130 kcal/mol
+        -analytic -5.8686e+001 -2.8724e-002 -1.0743e+004 2.3135e+001 -1.6761e+002
+#       -Range: 0-300
+
+# H-Azelate, C9H15O4-
+    + 4.5000 CH3COOH  =  C9H15O4-  + 2.0000 O2  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.5226
+        -delta_h +240.970 kcal/mol
+        -analytic 2.2650e+002 2.5261e-002 -6.2618e+004 -8.1084e+001 1.3566e+006
+#       -Range: 0-300
+
+# H-Glutarate, C5H7O4-
+      + 2.5000 CH3COOH  =  C5H7O4-  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.3394
+        -delta_h +223.570 kcal/mol
+        -analytic -4.0300e+001 -3.0858e-002 -9.3931e+001 1.7357e+001 -1.4538e+000
+#       -Range: 0-300
+
+# H-Malonate, C3H3O4-
+    + 1.5000 CH3COOH + 1.0000 O2  =  C3H3O4-  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -2.8513
+        -delta_h +207.850 kcal/mol
+        -analytic -5.6715e+000 -3.3611e-002 1.9552e+004 6.4983e+000 3.0509e+002
+#       -Range: 0-300
+
+# H-Oxalate, C2HO4-
+    + 1.5000 O2 + 1.0000 CH3COOH  =  C2HO4-  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -1.2703
+        -delta_h +195.600 kcal/mol
+        -analytic 1.3266e+001 -3.3064e-002 2.8427e+004 0.0000e+000 0.0000e+000
+#       -Range: 0-300
+
+# H-Pimelate, C7H11O4-
+    + 3.5000 CH3COOH  =  C7H11O4-  + 1.0000 H+  + 1.0000 H2O  + 1.0000 O2
+        -llnl_gamma           4.0
+        log_k    -4.486
+        -delta_h +234.040 kcal/mol
+        -analytic -7.7415e+001 -2.6046e-002 -2.0605e+004 2.8981e+001 -3.2150e+002
+#       -Range: 0-300
+
+# H-Sebacate, C10H17O4-
+    + 5.0000 CH3COOH  =  C10H17O4-  + 2.5000 O2  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.5446
+        -delta_h +246.230 kcal/mol
+        -analytic -1.5704e+002 -1.8900e-002 -5.1105e+004 5.4466e+001 -7.9740e+002
+#       -Range: 0-300
+
+# H-Suberate, C8H13O4-
+    + 4.0000 CH3COOH  =  C8H13O4-  + 1.5000 O2  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.508
+        -delta_h +238.130 kcal/mol
+        -analytic -1.0933e+002 -2.4139e-002 -3.0563e+004 3.9365e+001 -4.7687e+002
+#       -Range: 0-300
+
+# H-Succinate, C4H5O4-
+    + 2.0000 CH3COOH + 0.5000 O2  =  C4H5O4-  + 1.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.2075
+        -delta_h +217.350 kcal/mol
+        -analytic -3.0274e+001 -3.3174e-002 1.0329e+004 1.4429e+001 1.6118e+002
+#       -Range: 0-300
+
+# HO2-, HO2-
+      + 1.0000 H2O + 0.5000 O2  =  HO2-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -28.3019
+        -delta_h +38.320 kcal/mol
+        -analytic -4.1095e+001 -3.1617e-002 -7.2259e+003 1.8765e+001 -1.1274e+002
+#       -Range: 0-300
+
+# Heptanal, CH3(CH2)5CHO
+      + 2.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)5CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -733.0243
+        -delta_h +77.010 kcal/mol
+        -analytic -4.4470e+001 -1.5235e-002 -2.8387e+003 1.5763e+001 -4.4282e+001
+#       -Range: 0-300
+
+# Heptanoate, C6H13COO-
+      + 3.5000 CH3COOH  =  C6H13COO-  + 2.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8928
+        -delta_h +145.620 kcal/mol
+        -analytic -2.3984e+002 -2.7315e-002 -4.6686e+004 8.5594e+001 -7.2843e+002
+#       -Range: 0-300
+
+# Heptanoic_acid, C6H13COOH
+        + 3.5000 CH3COOH  =  C6H13COOH  + 2.5000 O2
+        -llnl_gamma           3.0
+        log_k    -684.8753
+        -delta_h +145.080 kcal/mol
+        -analytic 4.8292e+002 8.0059e-002 -8.7380e+004 -1.7349e+002 2.4625e+006
+#       -Range: 0-300
+
+# Hexanal, CH3(CH2)4CHO
+      + 2.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)4CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -623.3863
+        -delta_h +72.650 kcal/mol
+        -analytic -3.3617e+001 -1.0435e-002 -4.8410e+003 1.1629e+001 -7.5530e+001
+#       -Range: 0-300
+
+# Hexanoate, C5H11COO-
+      + 3.0000 CH3COOH  =  C5H11COO-  + 2.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8599
+        -delta_h +139.870 kcal/mol
+        -analytic -2.1318e+002 -2.9283e-002 -3.6871e+004 7.6955e+001 -5.7527e+002
+#       -Range: 0-300
+
+# Hexanoic_acid, C5H11COOH
+        + 3.0000 CH3COOH  =  C5H11COOH  + 2.0000 O2
+        -llnl_gamma           3.0
+        log_k    -576.2928
+        -delta_h +139.290 kcal/mol
+        -analytic 1.1076e+002 2.5510e-002 -5.4376e+004 -3.9703e+001 1.0632e+006
+#       -Range: 0-300
+
+# Isoleucine, C6H13NO2
+    + 3.0000 C2H5NO2 + 2.0000 H2O  =  C6H13NO2  + 3.0000 O2  + 2.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +0.1466
+        -delta_h +150.900 kcal/mol
+        -analytic -2.8273e+002 -1.9351e-003 -5.4209e+004 1.0027e+002 -8.4579e+002
+#       -Range: 0-300
+
+# K(But), K(CH3(CH2)2CO2)
+      + 1.0000 K+ + 1.0000 C3H7COOH  =  K(CH3(CH2)2CO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8078
+        -delta_h +187.401 kcal/mol
+        -analytic 1.3634e+001 -2.1745e-003 -3.9995e+003 -3.9841e+000 4.8796e+005
+#       -Range: 0-300
+
+# K(But)2-, K(CH3(CH2)2CO2)2-
+      + 2.0000 C3H7COOH + 1.0000 K+  =  K(CH3(CH2)2CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.9359
+        -delta_h +316.310 kcal/mol
+        -analytic 5.5776e+001 -3.5589e-003 -1.2872e+004 -1.6024e+001 1.6171e+006
+#       -Range: 0-300
+
+# K(For), K(CHO2)
+      + 1.0000 K+ + 1.0000 HCOOH  =  K(CHO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.7229
+        -delta_h +161.151 kcal/mol
+        -analytic -2.4221e+000 -7.5713e-003 -6.7114e+002 1.2963e+000 -1.0472e+001
+#       -Range: 0-300
+
+# K(For)2-, K(CHO2)2-
+      + 2.0000 HCOOH + 1.0000 K+  =  K(CHO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7757
+        -delta_h +264.561 kcal/mol
+        -analytic -1.0611e+002 -3.9682e-002 2.1061e+003 4.1665e+001 3.2895e+001
+#       -Range: 0-300
+
+# K(Glyc), K(CH3OCO2)
+      + 1.0000 K+ + 1.0000 C2H4O3  =  K(CH3OCO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.8036
+        -delta_h +214.171 kcal/mol
+        -analytic 2.8123e+001 -1.9061e-003 -3.6027e+003 -9.1691e+000 3.0378e+005
+#       -Range: 0-300
+
+# K(Glyc)2-, K(CH3OCO2)2-
+      + 2.0000 C2H4O3 + 1.0000 K+  =  K(CH3OCO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7471
+        -delta_h +370.519 kcal/mol
+        -analytic -2.2646e+002 -4.8542e-002 6.8259e+003 8.4988e+001 1.0658e+002
+#       -Range: 0-300
+
+# K(Lac), K(CH3CH2OCO2)
+      + 1.0000 C3H6O3 + 1.0000 K+  =  K(CH3CH2OCO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.8329
+        -delta_h +223.541 kcal/mol
+        -analytic 1.4972e+001 -3.2999e-003 -3.4489e+003 -4.1956e+000 3.6756e+005
+#       -Range: 0-300
+
+# K(Lac)2-, K(CH3CH2OCO2)2-
+      + 2.0000 C3H6O3 + 1.0000 K+  =  K(CH3CH2OCO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7955
+        -delta_h +388.842 kcal/mol
+        -analytic 3.7819e+001 -9.5803e-003 -1.0074e+004 -9.1771e+000 1.2221e+006
+#       -Range: 0-300
+
+# K(Pent), K(CH3(CH2)3CO2)
+      + 1.0000 C4H9COOH + 1.0000 K+  =  K(CH3(CH2)3CO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8371
+        -delta_h +193.881 kcal/mol
+        -analytic 1.1271e+001 -4.4936e-004 -5.4272e+003 -2.5193e+000 7.5365e+005
+#       -Range: 0-300
+
+# K(Pent)2-, K(CH3(CH2)3CO2)2-
+      + 2.0000 C4H9COOH + 1.0000 K+  =  K(CH3(CH2)3CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.0041
+        -delta_h +328.765 kcal/mol
+        -analytic 7.8715e+000 -1.1792e-003 -1.3479e+004 1.7870e+000 2.0708e+006
+#       -Range: 0-300
+
+# K(Prop), KCH3CH2CO2
+      + 1.0000 C2H5COOH + 1.0000 K+  =  KCH3CH2CO2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8664
+        -delta_h +182.101 kcal/mol
+        -analytic 1.1437e+001 -2.2439e-003 -3.4860e+003 -3.4282e+000 4.0460e+005
+#       -Range: 0-300
+
+# K(Prop)2-, K(CH3CH2CO2)2-
+      + 2.0000 C2H5COOH + 1.0000 K+  =  K(CH3CH2CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.0429
+        -delta_h +306.125 kcal/mol
+        -analytic 3.7431e+001 -9.1342e-003 -1.1368e+004 -9.1819e+000 1.4324e+006
+#       -Range: 0-300
+
+# La(But)+2, La(CH3(CH2)2CO2)+2
+      + 1.0000 La+3 + 1.0000 C3H7COOH  =  La(CH3(CH2)2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.2078
+        -delta_h +300.593 kcal/mol
+        -analytic -1.2213e+001 7.6865e-004 -2.3803e+003 4.5583e+000 5.7748e+005
+#       -Range: 0-300
+
+# La(But)2+, La(CH3(CH2)2CO2)2+
+      + 2.0000 C3H7COOH + 1.0000 La+3  =  La(CH3(CH2)2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.1758
+        -delta_h +430.176 kcal/mol
+        -analytic -2.7187e+001 3.6155e-003 -5.1320e+003 9.9375e+000 1.2081e+006
+#       -Range: 0-300
+
+# La(For)+2, La(CHO2)+2
+      + 1.0000 La+3 + 1.0000 HCOOH  =  La(CHO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.123
+        -delta_h +274.343 kcal/mol
+        -analytic 2.4425e+000 -1.1728e-003 -9.7383e+002 -9.4604e-001 2.1308e+005
+#       -Range: 0-300
+
+# La(For)2+, La(CHO2)2+
+      + 2.0000 HCOOH + 1.0000 La+3  =  La(CHO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0163
+        -delta_h +378.757 kcal/mol
+        -analytic 1.4193e+001 -2.4396e-003 -1.1566e+003 -6.0653e+000 2.1470e+005
+#       -Range: 0-300
+
+# La(Pent)+2, La(CH3(CH2)3CO2)+2
+      + 1.0000 C4H9COOH + 1.0000 La+3  =  La(CH3(CH2)3CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.2371
+        -delta_h +307.073 kcal/mol
+        -analytic -2.4830e+001 1.6328e-003 -3.1022e+003 9.5351e+000 7.9458e+005
+#       -Range: 0-300
+
+# La(Pent)2+, La(CH3(CH2)3CO2)2+
+      + 2.0000 C4H9COOH + 1.0000 La+3  =  La(CH3(CH2)3CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2447
+        -delta_h +442.418 kcal/mol
+        -analytic -4.1413e+001 9.3380e-003 -8.0438e+003 1.6147e+001 1.8186e+006
+#       -Range: 0-300
+
+# La(Prop)+2, La(CH3CH2CO2)+2
+      + 1.0000 C2H5COOH + 1.0000 La+3  =  La(CH3CH2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3764
+        -delta_h +295.142 kcal/mol
+        -analytic -8.7100e+000 9.9977e-004 -2.3370e+003 3.2191e+000 5.2671e+005
+#       -Range: 0-300
+
+# La(Prop)2+, La(CH3CH2CO2)2+
+      + 2.0000 C2H5COOH + 1.0000 La+3  =  La(CH3CH2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.4829
+        -delta_h +419.891 kcal/mol
+        -analytic -1.7985e+001 3.2712e-003 -4.8213e+003 6.3648e+000 1.0652e+006
+#       -Range: 0-300
+
+# Lactate, C3H5O3-
+        + 1.0000 C3H6O3  =  C3H5O3-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -3.8629
+        -delta_h +164.070 kcal/mol
+        -analytic -8.2814e+001 -3.2149e-002 1.5440e+003 3.3680e+001 2.4117e+001
+#       -Range: 0-300
+
+# Lactic_acid, C3H6O3
+      + 3.0000 HCO3- + 3.0000 H+  =  C3H6O3  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -223.4996
+        -delta_h +164.000 kcal/mol
+        -analytic -1.9621E+03 -3.2360E-01 -5.5305E+02 7.4225E+02 -2.0548E-01
+#       -Range: 0-300
+
+# Leucine, C6H13NO2
+    + 3.0000 C2H5NO2 + 2.0000 H2O  =  C6H13NO2  + 3.0000 O2  + 2.0000 NH3
+        -llnl_gamma           3.0
+        log_k    -541.723
+        -delta_h +151.070 kcal/mol
+        -analytic 2.4561e+002 6.5239e-002 -8.6593e+004 -8.7114e+001 2.1100e+006
+#       -Range: 0-300
+
+# Leucylglycine, C8H16N2O3
+    + 4.0000 C2H5NO2 + 1.0000 H2O  =  C8H16N2O3  + 3.0000 O2  + 2.0000 NH3
+        -llnl_gamma           3.0
+        log_k    -652.321
+        -delta_h +202.660 kcal/mol
+        -analytic -3.3759e+002 -5.6274e-003 -5.2689e+004 1.1979e+002 -8.2207e+002
+#       -Range: 0-300
+
+# Malonate, C3H2O4-2
+    + 1.5000 CH3COOH + 1.0000 O2  =  C3H2O4-2  + 2.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -2.8513
+        -delta_h +207.850 kcal/mol
+        -analytic -9.9824e+001 -7.7578e-002 2.0986e+004 4.5594e+001 3.2750e+002
+#       -Range: 0-300
+
+# Malonic_acid, C3H4O4
+    + 3.0000 HCO3- + 3.0000 H+  =  C3H4O4  + 2.0000 O2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -144.1431
+        -delta_h +207.870 kcal/mol
+        -analytic -1.2631E+03 -1.9613E-01 -5.2873E+02 4.7649E+02 -3.1921E-02
+#       -Range: 0-300
+
+# Methanamine, CH3NH2
+        + 0.5000 NH3 + 0.5000 C2H5NH2 =  CH3NH2
+        -llnl_gamma           3.0
+        log_k    -3.7248
+        -delta_h +16.320 kcal/mol
+        -analytic 3.6212e+000 9.9672e-004 -1.2549e+003 -1.3879e+000 -1.9583e+001
+#       -Range: 0-300
+
+# Methanol, CH3OH
+        + 0.5000 H2O + 0.5000 C2H5OH  =  CH3OH
+        -llnl_gamma           3.0
+        log_k    -5.8339
+        -delta_h +58.870 kcal/mol
+        -analytic 1.0292e+001 2.0369e-003 -2.3980e+003 -3.5121e+000 -3.7422e+001
+#       -Range: 0-300
+
+# Methionine, C5H11NO2S
+2.5000 C2H5NO2 + 1.0000 HS- + 1.0000 H+ + 0.5000 H2O  =  C5H11NO2S  + 1.7500 O2  + 1.5000 NH3
+        -llnl_gamma           3.0
+        log_k    -499.7659
+        -delta_h +177.600 kcal/mol
+        -analytic -8.0509e+001 3.4730e-002 -2.3107e+004 2.2907e+001 -3.6054e+002
+#       -Range: 0-300
+
+# Mg(Ala)+, Mg(C3H6NO2)+
+      + 1.0000 Mg+2 + 1.0000 C3H7NO2  =  Mg(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.4047
+        -delta_h +231.745 kcal/mol
+        -analytic 3.2275e+000 3.8767e-003 -5.7267e+003 1.9424e-001 5.2913e+005
+#       -Range: 0-300
+
+# Mg(Ala)2, Mg(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Mg+2  =  Mg(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -17.4998
+        -delta_h +352.641 kcal/mol
+        -analytic -2.6461e+000 5.2729e-003 -1.2622e+004 4.5793e+000 1.2982e+006
+#       -Range: 0-300
+
+# Mg(But)+, Mg(CH3(CH2)2CO2)+
+      + 1.0000 Mg+2 + 1.0000 C3H7COOH  =  Mg(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.2778
+        -delta_h +240.741 kcal/mol
+        -analytic -2.1041e+000 1.4633e-003 -3.1485e+003 6.1810e-001 5.7229e+005
+#       -Range: 0-300
+
+# Mg(But)2, Mg(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.9654
+        -delta_h +370.578 kcal/mol
+        -analytic -2.8906e+001 1.7817e-003 -6.7997e+003 1.0694e+001 1.4036e+006
+#       -Range: 0-300
+
+# Mg(For)+, Mg(CHO2)+
+      + 1.0000 Mg+2 + 1.0000 HCOOH  =  Mg(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3229
+        -delta_h +215.678 kcal/mol
+        -analytic -3.9514e+000 -2.8298e-003 -5.6302e+002 1.0614e+000 1.5474e+005
+#       -Range: 0-300
+
+# Mg(For)2, Mg(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Mg+2  =  Mg(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2058
+        -delta_h +321.177 kcal/mol
+        -analytic -1.9131e+001 -6.0693e-003 4.0785e+001 5.2661e+000 2.2927e+005
+#       -Range: 0-300
+
+# Mg(Gly)+, Mg(C2H4NO2)+
+      + 1.0000 Mg+2 + 1.0000 C2H5NO2  =  Mg(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.328
+        -delta_h +225.174 kcal/mol
+        -analytic 2.0689e+001 7.1872e-003 -4.9739e+003 -6.9062e+000 4.1092e+005
+#       -Range: 0-300
+
+# Mg(Gly)2, Mg(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Mg+2  =  Mg(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -13.0966
+        -delta_h +340.003 kcal/mol
+        -analytic -2.1284e+000 6.2771e-003 -8.3120e+003 2.3697e+000 8.1724e+005
+#       -Range: 0-300
+
+# Mg(Glyc)+, Mg(CH3OCO2)+
+      + 1.0000 Mg+2 + 1.0000 C2H4O3  =  Mg(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.5039
+        -delta_h +266.450 kcal/mol
+        -analytic 4.1719e+000 4.8995e-004 -2.4071e+003 -1.0943e+000 3.5295e+005
+#       -Range: 0-300
+
+# Mg(Glyc)2, Mg(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Mg+2  =  Mg(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3671
+        -delta_h +424.040 kcal/mol
+        -analytic 1.1456e+001 1.9693e-003 -5.4799e+003 -3.5701e+000 8.7339e+005
+#       -Range: 0-300
+
+# Mg(Lac)+, Mg(CH3CH2OCO2)+
+      + 1.0000 Mg+2 + 1.0000 C3H6O3  =  Mg(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.493
+        -delta_h +274.593 kcal/mol
+        -analytic -5.8138e+000 4.6550e-004 -2.3971e+003 2.7483e+000 3.9437e+005
+#       -Range: 0-300
+
+# Mg(Lac)2, Mg(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Mg+2  =  Mg(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3356
+        -delta_h +440.700 kcal/mol
+        -analytic -9.2240e+000 7.2412e-004 -6.4088e+003 5.1184e+000 1.1140e+006
+#       -Range: 0-300
+
+# Mg(Pent)+, Mg(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.5571
+        -delta_h +246.880 kcal/mol
+        -analytic -2.6885e+001 6.6381e-004 -3.2502e+003 9.9565e+000 7.4821e+005
+#       -Range: 0-300
+
+# Mg(Pent)2, Mg(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Mg+2  =  Mg(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.4844
+        -delta_h +382.313 kcal/mol
+        -analytic -3.1213e+001 7.2244e-003 -1.0963e+004 1.3204e+001 2.1088e+006
+#       -Range: 0-300
+
+# Mg(Prop)+, Mg(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Mg+2  =  Mg(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.1767
+        -delta_h +235.660 kcal/mol
+        -analytic -1.5671e+001 -6.7187e-004 -2.0570e+003 5.4098e+000 4.6452e+005
+#       -Range: 0-300
+
+# Mg(Prop)2, Mg(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Mg+2  =  Mg(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.7726
+        -delta_h +360.889 kcal/mol
+        -analytic -1.3652e+001 3.8826e-003 -6.2937e+003 4.4524e+000 1.2312e+006
+#       -Range: 0-300
+
+# Mn(Ala)+, Mn(C3H6NO2)+
+      + 1.0000 Mn+2 + 1.0000 C3H7NO2  =  Mn(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.1248
+        -delta_h +173.180 kcal/mol
+        -analytic -6.0922e+000 5.5095e-003 -4.5521e+003 3.1202e+000 4.3437e+005
+#       -Range: 0-300
+
+# Mn(Ala)2, Mn(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Mn+2  =  Mn(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -14.6792
+        -delta_h +294.245 kcal/mol
+        -analytic -5.0476e-001 5.7769e-003 -1.2737e+004 4.7857e+000 1.3339e+006
+#       -Range: 0-300
+
+# Mn(But)+, Mn(CH3(CH2)2CO2)+
+      + 1.0000 Mn+2 + 1.0000 C3H7COOH  =  Mn(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.6079
+        -delta_h +181.344 kcal/mol
+        -analytic -1.6910e+001 1.9388e-003 -1.9552e+003 5.6484e+000 4.7316e+005
+#       -Range: 0-300
+
+# Mn(But)2, Mn(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7354
+        -delta_h +310.012 kcal/mol
+        -analytic -1.8458e+001 3.5123e-003 -7.8343e+003 7.8894e+000 1.4636e+006
+#       -Range: 0-300
+
+# Mn(For)+, Mn(CHO2)+
+      + 1.0000 Mn+2 + 1.0000 HCOOH  =  Mn(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.0532
+        -delta_h +155.735 kcal/mol
+        -analytic -5.7235e+000 -8.3722e-004 -3.0900e+002 1.5086e+000 1.0934e+005
+#       -Range: 0-300
+
+# Mn(For)2, Mn(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Mn+2  =  Mn(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.7162
+        -delta_h +259.601 kcal/mol
+        -analytic 1.2827e+001 -1.4127e-003 -2.4571e+003 -5.2411e+000 3.6438e+005
+#       -Range: 0-300
+
+# Mn(Gly)+, Mn(C2H4NO2)+
+      + 1.0000 Mn+2 + 1.0000 C2H5NO2  =  Mn(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.1184
+        -delta_h +165.803 kcal/mol
+        -analytic 1.2891e+001 8.7151e-003 -4.1826e+003 -4.5776e+000 3.3412e+005
+#       -Range: 0-300
+
+# Mn(Gly)2, Mn(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Mn+2  =  Mn(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -12.9266
+        -delta_h +278.847 kcal/mol
+        -analytic -8.9549e+000 5.6683e-003 -8.5407e+003 5.5548e+000 8.2286e+005
+#       -Range: 0-300
+
+# Mn(Glyc)+, Mn(CH3OCO2)+
+      + 1.0000 Mn+2 + 1.0000 C2H4O3  =  Mn(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.2518
+        -delta_h +208.594 kcal/mol
+        -analytic -7.3237e+000 7.7086e-004 -1.3628e+003 2.4657e+000 2.9532e+005
+#       -Range: 0-300
+
+# Mn(Glyc)2, Mn(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Mn+2  =  Mn(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2373
+        -delta_h +364.736 kcal/mol
+        -analytic -1.7505e+001 -1.6628e-003 -4.1763e+003 7.1162e+000 8.1623e+005
+#       -Range: 0-300
+
+# Mn(Lac)+, Mn(CH3CH2OCO2)+
+      + 1.0000 Mn+2 + 1.0000 C3H6O3  =  Mn(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.4328
+        -delta_h +217.756 kcal/mol
+        -analytic -1.6464e+001 7.1558e-004 -1.2885e+003 5.7494e+000 3.4911e+005
+#       -Range: 0-300
+
+# Mn(Lac)2, Mn(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Mn+2  =  Mn(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2256
+        -delta_h +383.047 kcal/mol
+        -analytic -1.8030e+001 1.4926e-004 -5.9277e+003 8.0913e+000 1.1243e+006
+#       -Range: 0-300
+
+# Mn(Pent)+, Mn(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.7669
+        -delta_h +187.646 kcal/mol
+        -analytic -3.1330e+001 2.7885e-003 -2.5476e+003 1.1193e+001 6.7589e+005
+#       -Range: 0-300
+
+# Mn(Pent)2, Mn(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Mn+2  =  Mn(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.044
+        -delta_h +322.033 kcal/mol
+        -analytic -2.1011e+001 8.8159e-003 -1.1958e+004 1.0527e+001 2.1730e+006
+#       -Range: 0-300
+
+# Mn(Prop)+, Mn(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Mn+2  =  Mn(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.6167
+        -delta_h +176.112 kcal/mol
+        -analytic -5.3912e+000 3.1110e-003 -2.3654e+003 1.4872e+000 4.5498e+005
+#       -Range: 0-300
+
+# Mn(Prop)2, Mn(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Mn+2  =  Mn(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.753
+        -delta_h +300.037 kcal/mol
+        -analytic -5.4193e+000 5.1920e-003 -7.3047e+003 2.4858e+000 1.2892e+006
+#       -Range: 0-300
+
+# Na(But), Na(CH3(CH2)2CO2)
+      + 1.0000 Na+ + 1.0000 C3H7COOH  =  Na(CH3(CH2)2CO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.788
+        -delta_h +185.529 kcal/mol
+        -analytic 1.1463e+001 -1.9756e-003 -3.8987e+003 -3.3969e+000 5.1852e+005
+#       -Range: 0-300
+
+# Na(But)2-, Na(CH3(CH2)2CO2)2-
+      + 2.0000 C3H7COOH + 1.0000 Na+  =  Na(CH3(CH2)2CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.8956
+        -delta_h +315.475 kcal/mol
+        -analytic 2.9605e+001 -9.5353e-003 -1.2859e+004 -5.5837e+000 1.8051e+006
+#       -Range: 0-300
+
+# Na(For), Na(CHO2)
+      + 1.0000 Na+ + 1.0000 HCOOH  =  Na(CHO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.7031
+        -delta_h +159.279 kcal/mol
+        -analytic 1.9556e+001 -4.0171e-003 -1.9403e+003 -6.7907e+000 1.1139e+005
+#       -Range: 0-300
+
+# Na(For)2-, Na(CHO2)2-
+      + 2.0000 HCOOH + 1.0000 Na+  =  Na(CHO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7362
+        -delta_h +263.725 kcal/mol
+        -analytic -1.6907e+002 -4.9200e-002 4.7499e+003 6.4687e+001 7.4168e+001
+#       -Range: 0-300
+
+# Na(Glyc), Na(CH3OCO2)
+      + 1.0000 Na+ + 1.0000 C2H4O3  =  Na(CH3OCO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.7838
+        -delta_h +212.299 kcal/mol
+        -analytic 6.5651e+000 -4.5298e-003 -2.4464e+003 -1.5701e+000 2.7550e+005
+#       -Range: 0-300
+
+# Na(Glyc)2-, Na(CH3OCO2)2-
+      + 2.0000 C2H4O3 + 1.0000 Na+  =  Na(CH3OCO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7076
+        -delta_h +369.684 kcal/mol
+        -analytic -2.9181e+002 -5.8674e-002 9.4836e+003 1.0904e+002 1.4807e+002
+#       -Range: 0-300
+
+# Na(Lac), Na(CH3CH2OCO2)
+      + 1.0000 Na+ + 1.0000 C3H6O3  =  Na(CH3CH2OCO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.8131
+        -delta_h +221.669 kcal/mol
+        -analytic -8.9871e+000 -6.2002e-003 -2.1368e+003 4.2449e+000 3.2856e+005
+#       -Range: 0-300
+
+# Na(Lac)2-, Na(CH3CH2OCO2)2-
+      + 2.0000 C3H6O3 + 1.0000 Na+  =  Na(CH3CH2OCO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.7559
+        -delta_h +388.006 kcal/mol
+        -analytic 5.9524e+001 -8.7468e-003 -1.2721e+004 -1.5993e+001 1.5628e+006
+#       -Range: 0-300
+
+# Na(Pent), Na(CH3(CH2)3CO2)
+      + 1.0000 C4H9COOH + 1.0000 Na+  =  Na(CH3(CH2)3CO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8173
+        -delta_h +192.009 kcal/mol
+        -analytic 8.1540e+000 -4.2441e-004 -5.2875e+003 -1.5765e+000 7.8307e+005
+#       -Range: 0-300
+
+# Na(Pent)2-, Na(CH3(CH2)3CO2)2-
+      + 2.0000 C4H9COOH + 1.0000 Na+  =  Na(CH3(CH2)3CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.9645
+        -delta_h +327.929 kcal/mol
+        -analytic 3.8577e+001 7.5820e-004 -1.6661e+004 -8.2211e+000 2.4438e+006
+#       -Range: 0-300
+
+# Na(Prop), Na(CH3CH2CO2)
+      + 1.0000 C2H5COOH + 1.0000 Na+  =  Na(CH3CH2CO2)  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.8466
+        -delta_h +180.229 kcal/mol
+        -analytic 1.7028e+000 -3.1352e-003 -2.9697e+003 -1.0967e-001 4.1170e+005
+#       -Range: 0-300
+
+# Na(Prop)2-, Na(CH3CH2CO2)2-
+      + 2.0000 C2H5COOH + 1.0000 Na+  =  Na(CH3CH2CO2)2-  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.0026
+        -delta_h +305.289 kcal/mol
+        -analytic 6.6077e+001 -6.9347e-003 -1.4292e+004 -1.8630e+001 1.7811e+006
+#       -Range: 0-300
+
+# Ni(Ala)+, Ni(C3H6NO2)+
+      + 1.0000 Ni+2 + 1.0000 C3H7NO2  =  Ni(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.5249
+        -delta_h +137.131 kcal/mol
+        -analytic 1.1604e+000 4.6374e-003 -4.1009e+003 7.4132e-001 4.3245e+005
+#       -Range: 0-300
+
+# Ni(Ala)2, Ni(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Ni+2  =  Ni(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.2291
+        -delta_h +262.972 kcal/mol
+        -analytic 3.1888e+001 9.4817e-003 -1.1655e+004 -8.0444e+000 1.2513e+006
+#       -Range: 0-300
+
+# Ni(But)+, Ni(CH3(CH2)2CO2)+
+      + 1.0000 Ni+2 + 1.0000 C3H7COOH  =  Ni(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0676
+        -delta_h +143.687 kcal/mol
+        -analytic -1.1210e+001 7.7237e-004 -1.8584e+003 3.5695e+000 4.7362e+005
+#       -Range: 0-300
+
+# Ni(But)2, Ni(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.7459
+        -delta_h +274.625 kcal/mol
+        -analytic -3.4716e+000 4.8213e-003 -6.7033e+003 1.1666e+000 1.3261e+006
+#       -Range: 0-300
+
+# Ni(For)+, Ni(CHO2)+
+      + 1.0000 Ni+2 + 1.0000 HCOOH  =  Ni(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.8831
+        -delta_h +117.573 kcal/mol
+        -analytic -4.4750e-001 -1.7720e-003 -2.1850e+002 -5.1560e-001 9.8346e+004
+#       -Range: 0-300
+
+# Ni(For)2, Ni(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Ni+2  =  Ni(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.4061
+        -delta_h +223.287 kcal/mol
+        -analytic -1.1886e+001 -5.7362e-003 6.8286e+002 2.3397e+000 9.9533e+004
+#       -Range: 0-300
+
+# Ni(Gly)+, Ni(C2H4NO2)+
+      + 1.0000 Ni+2 + 1.0000 C2H5NO2  =  Ni(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.6482
+        -delta_h +129.289 kcal/mol
+        -analytic -4.6499e+000 4.5579e-003 -2.3704e+003 1.9662e+000 2.4331e+005
+#       -Range: 0-300
+
+# Ni(Gly)2, Ni(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Ni+2  =  Ni(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.5065
+        -delta_h +246.055 kcal/mol
+        -analytic 7.2186e-001 5.9661e-003 -6.4762e+003 1.3110e+000 6.6544e+005
+#       -Range: 0-300
+
+# Ni(Glyc)+, Ni(CH3OCO2)+
+      + 1.0000 Ni+2 + 1.0000 C2H4O3  =  Ni(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.5738
+        -delta_h +171.125 kcal/mol
+        -analytic -1.0297e+000 -1.2447e-004 -1.2044e+003 1.0906e-001 2.9085e+005
+#       -Range: 0-300
+
+# Ni(Glyc)2, Ni(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Ni+2  =  Ni(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.657
+        -delta_h +330.154 kcal/mol
+        -analytic -1.0354e+001 -1.4250e-003 -2.4189e+003 3.2017e+000 6.5173e+005
+#       -Range: 0-300
+
+# Ni(Lac)+, Ni(CH3CH2OCO2)+
+      + 1.0000 Ni+2 + 1.0000 C3H6O3  =  Ni(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.2731
+        -delta_h +179.581 kcal/mol
+        -analytic -5.3952e+000 3.0639e-004 -1.6023e+003 1.7361e+000 3.6640e+005
+#       -Range: 0-300
+
+# Ni(Lac)2, Ni(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Ni+2  =  Ni(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.7961
+        -delta_h +346.896 kcal/mol
+        -analytic 1.3452e+001 3.7748e-003 -5.8913e+003 -4.5655e+000 1.0409e+006
+#       -Range: 0-300
+
+# Ni(Pent)+, Ni(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.127
+        -delta_h +150.126 kcal/mol
+        -analytic -1.8027e+001 2.5673e-003 -2.8802e+003 6.4190e+000 7.0514e+005
+#       -Range: 0-300
+
+# Ni(Pent)2, Ni(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Ni+2  =  Ni(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.8741
+        -delta_h +286.892 kcal/mol
+        -analytic -1.4118e+001 9.0210e-003 -1.0307e+004 6.7035e+000 2.0075e+006
+#       -Range: 0-300
+
+# Ni(Prop)+, Ni(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Ni+2  =  Ni(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.4561
+        -delta_h +137.936 kcal/mol
+        -analytic -7.2594e+000 1.0617e-003 -1.9069e+003 2.0708e+000 4.2443e+005
+#       -Range: 0-300
+
+# Ni(Prop)2, Ni(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Ni+2  =  Ni(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.4532
+        -delta_h +263.708 kcal/mol
+        -analytic -3.7965e+001 -1.2697e-004 -3.6918e+003 1.2846e+001 9.9382e+005
+#       -Range: 0-300
+
+# Nonanal, CH3(CH2)7CHO
+      + 3.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)7CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -949.8594
+        -delta_h +89.060 kcal/mol
+        -analytic -6.6011e+001 -2.4799e-002 1.8885e+003 2.3966e+001 2.9487e+001
+#       -Range: 0-300
+
+# Nonanoate, C9H17O2-
+      + 4.5000 CH3COOH  =  C9H17O2-  + 3.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.728
+        -delta_h +156.990 kcal/mol
+        -analytic -2.9242e+002 -2.3233e-002 -6.6303e+004 1.0260e+002 -1.0345e+003
+#       -Range: 0-300
+
+# Nonanoic_acid, C9H18O2
+        + 4.5000 CH3COOH  =  C9H18O2  + 3.5000 O2
+        -llnl_gamma           3.0
+        log_k    -902.1429
+        -delta_h +156.530 kcal/mol
+        -analytic 7.6545e+002 1.2327e-001 -1.2782e+005 -2.7455e+002 3.7974e+006
+#       -Range: 0-300
+
+# Octanal, CH3(CH2)6CHO
+      + 3.0000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)6CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -841.0644
+        -delta_h +83.550 kcal/mol
+        -analytic -5.5236e+001 -2.0015e-002 -3.6255e+002 1.9863e+001 -5.6412e+000
+#       -Range: 0-300
+
+# Octanoate, C7H15COO-
+      + 4.0000 CH3COOH  =  C7H15COO-  + 3.0000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8965
+        -delta_h +151.580 kcal/mol
+        -analytic -2.6026e+002 -2.5391e-002 -5.6736e+004 9.2101e+001 -8.8524e+002
+#       -Range: 0-300
+
+# Octanoic_acid, C7H15COOH
+        + 4.0000 CH3COOH  =  C7H15COOH  + 3.0000 O2
+        -llnl_gamma           3.0
+        log_k    -793.3332
+        -delta_h +151.050 kcal/mol
+        -analytic -1.9247e+001 1.0829e-002 -7.1544e+004 7.6349e+000 1.0441e+006
+#       -Range: 0-300
+
+# Oxalate, C2O4-2
+    + 1.5000 O2 + 1.0000 CH3COOH  =  C2O4-2  + 2.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -1.2703
+        -delta_h +195.600 kcal/mol
+        -analytic -6.1367e+001 -6.7813e-002 2.9725e+004 3.0857e+001 4.6385e+002
+#       -Range: 0-300
+
+# Oxalic_acid, C2H2O4
+    + 2.0000 HCO3- + 2.0000 H+  =  C2H2O4  + 0.5000 O2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -41.9377
+        -delta_h +194.580 kcal/mol
+        -analytic -3.4531E+02 -3.8017E-02 -4.9420E+02 1.2783E+02 3.4954E-01
+#       -Range: 0-300
+
+# Pb(Ala)+, Pb(C3H6NO2)+
+      + 1.0000 Pb+2 + 1.0000 C3H7NO2  =  Pb(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3649
+        -delta_h +120.275 kcal/mol
+        -analytic -2.6624e+001 4.7189e-003 -2.0605e+003 9.9803e+000 1.8534e+005
+#       -Range: 0-300
+
+# Pb(Ala)2, Pb(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Pb+2  =  Pb(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -12.4897
+        -delta_h +239.191 kcal/mol
+        -analytic -9.5305e+000 7.6294e-006 -1.1822e+004 9.6291e+000 1.1454e+006
+#       -Range: 0-300
+
+# Pb(But)+, Pb(CH3(CH2)2CO2)+
+      + 1.0000 Pb+2 + 1.0000 C3H7COOH  =  Pb(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0075
+        -delta_h +126.856 kcal/mol
+        -analytic -2.1474e+001 2.8958e-003 -8.4396e+002 6.9308e+000 2.9372e+005
+#       -Range: 0-300
+
+# Pb(But)2, Pb(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.6359
+        -delta_h +253.472 kcal/mol
+        -analytic 2.0254e+001 4.4997e-003 -9.9101e+003 -4.4607e+000 1.4291e+006
+#       -Range: 0-300
+
+# Pb(For)+, Pb(CHO2)+
+      + 1.0000 Pb+2 + 1.0000 HCOOH  =  Pb(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.8633
+        -delta_h +100.688 kcal/mol
+        -analytic 6.0621e+000 1.9339e-003 -3.7110e+002 -2.9296e+000 -5.7925e+000
+#       -Range: 0-300
+
+# Pb(For)2, Pb(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Pb+2  =  Pb(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.3658
+        -delta_h +202.038 kcal/mol
+        -analytic 2.6259e+001 -4.0425e-003 -3.3586e+003 -8.4717e+000 2.5027e+005
+#       -Range: 0-300
+
+# Pb(Gly)+, Pb(C2H4NO2)+
+      + 1.0000 Pb+2 + 1.0000 C2H5NO2  =  Pb(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.3086
+        -delta_h +112.312 kcal/mol
+        -analytic -1.8673e+001 6.5915e-003 -1.1000e+003 6.3328e+000 3.8522e+004
+#       -Range: 0-300
+
+# Pb(Gly)2, Pb(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Pb+2  =  Pb(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.6968
+        -delta_h +222.992 kcal/mol
+        -analytic 8.2909e+000 3.4522e-003 -9.2596e+003 1.1906e+000 7.2077e+005
+#       -Range: 0-300
+
+# Pb(Glyc)+, Pb(CH3OCO2)+
+      + 1.0000 Pb+2 + 1.0000 C2H4O3  =  Pb(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.5335
+        -delta_h +154.267 kcal/mol
+        -analytic -1.4773e+001 6.3698e-004 -2.3399e+002 5.0111e+000 1.2864e+005
+#       -Range: 0-300
+
+# Pb(Glyc)2, Pb(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Pb+2  =  Pb(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.5873
+        -delta_h +308.946 kcal/mol
+        -analytic 1.1096e+001 -3.0559e-003 -5.7676e+003 -1.2814e+000 7.7865e+005
+#       -Range: 0-300
+
+# Pb(Lac)+, Pb(CH3CH2OCO2)+
+      + 1.0000 Pb+2 + 1.0000 C3H6O3  =  Pb(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.5833
+        -delta_h +163.610 kcal/mol
+        -analytic -1.3871e+001 2.6871e-003 -5.0054e+002 4.4527e+000 1.9242e+005
+#       -Range: 0-300
+
+# Pb(Lac)2, Pb(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Pb+2  =  Pb(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.676
+        -delta_h +327.120 kcal/mol
+        -analytic -4.4899e+000 -2.4870e-003 -6.4849e+003 4.8300e+000 1.0115e+006
+#       -Range: 0-300
+
+# Pb(Pent)+, Pb(CH3(CH2)3CO2)+
+      + 1.0000 C4H9COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.0471
+        -delta_h +133.322 kcal/mol
+        -analytic -2.4746e+001 5.6511e-003 -1.9305e+003 8.3485e+000 5.2061e+005
+#       -Range: 0-300
+
+# Pb(Pent)2, Pb(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Pb+2  =  Pb(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.7246
+        -delta_h +265.793 kcal/mol
+        -analytic -2.7005e+001 3.4894e-003 -1.1468e+004 1.4273e+001 1.9937e+006
+#       -Range: 0-300
+
+# Pb(Prop)+, Pb(CH3CH2CO2)+
+      + 1.0000 C2H5COOH + 1.0000 Pb+2  =  Pb(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.5567
+        -delta_h +122.252 kcal/mol
+        -analytic -1.6614e+001 2.8882e-003 -8.1215e+002 5.2485e+000 2.6253e+005
+#       -Range: 0-300
+
+# Pb(Prop)2, Pb(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Pb+2  =  Pb(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.1631
+        -delta_h +244.164 kcal/mol
+        -analytic -8.3280e+000 2.5204e-004 -6.9233e+003 5.1398e+000 1.1223e+006
+#       -Range: 0-300
+
+# Pentanal, CH3(CH2)3CHO
+      + 1.5000 C2H4 + 1.0000 CH3COOH  =  CH3(CH2)3CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -514.6206
+        -delta_h +67.100 kcal/mol
+        -analytic -2.2868e+001 -5.6572e-003 -7.1000e+003 7.5357e+000 -1.1078e+002
+#       -Range: 0-300
+
+# Pentanoate, C4H9COO-
+        + 1.0000 C4H9COOH  =  C4H9COO-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8452
+        -delta_h +134.380 kcal/mol
+        -analytic -7.1959e+001 -2.5255e-002 1.5595e+003 2.8045e+001 2.4355e+001
+#       -Range: 0-300
+
+# Pentanoic_acid, C4H9COOH
+      + 5.0000 HCO3- + 5.0000 H+  =  C4H9COOH  + 6.5000 O2
+        -llnl_gamma           3.0
+        log_k    -467.5638
+        -delta_h +133.690 kcal/mol
+        -analytic -4.1508E+03 -7.0450E-01 -6.2821E+02 1.5740E+03 -6.3823E-01
+#       -Range: 0-300
+
+# Phenol, C6H5OH
+    + 6.0000 HCO3- + 6.0000 H+  =  C6H5OH  + 7.0000 O2  + 3.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -503.3718
+        -delta_h +36.640 kcal/mol
+        -analytic -4.4638E+03 -7.4406E-01 -6.3959E+02 1.6908E+03 -7.2665E-01
+#       -Range: 0-300
+
+# Phenylalanine, C9H11NO2
+    + 4.5000 C2H5NO2  =  C9H11NO2  + 3.5000 NH3  + 3.2500 O2  + 0.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -715.0646
+        -delta_h +110.080 kcal/mol
+        -analytic 4.3141e+002 9.9794e-002 -1.0397e+005 -1.5181e+002 3.1041e+006
+#       -Range: 0-300
+
+# Pimelate, C7H10O4-2
+    + 3.5000 CH3COOH  =  C7H10O4-2  + 2.0000 H+  + 1.0000 H2O  + 1.0000 O2
+        -llnl_gamma           4.0
+        log_k    -4.486
+        -delta_h +234.040 kcal/mol
+        -analytic -1.8597e+002 -7.3478e-002 -1.8772e+004 7.3883e+001 -2.9286e+002
+#       -Range: 0-300
+
+# Pimelic_acid, C7H12O4
+      + 3.5000 CH3COOH  =  C7H12O4  + 1.0000 H2O  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    -575.0718
+        -delta_h +253.720 kcal/mol
+        -analytic -8.7817e+001 -1.7044e-002 -1.9448e+004 3.2348e+001 -3.0344e+002
+#       -Range: 0-300
+
+# Propanal, CH3CH2CHO
+      + 1.0000 CH3COOH + 0.5000 C2H4  =  CH3CH2CHO  + 0.5000 O2
+        -llnl_gamma           3.0
+        log_k    -296.0849
+        -delta_h +57.360 kcal/mol
+        -analytic -1.2713e+000 3.9198e-003 -1.1322e+004 -6.8971e-001 -1.7667e+002
+#       -Range: 0-300
+
+# Propane, C3H8
+      + 1.5000 C2H6 + 0.2500 O2  =  C3H8  + 0.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -363.0881
+        -delta_h +30.490 kcal/mol
+        -analytic -6.4646e+001 -1.3427e-002 9.8352e+003 2.3379e+001 -3.1351e+005
+#       -Range: 0-300
+
+#C7H8 from J.Thom
+        CH4 + C6H6 = C7H8 + H2
+	-llnl_gamma           3.0
+        log_k -7.82476
+        -analytic -6.78979e1 -1.31838e-2 -1.34773e0 2.58679e1 9.83945e-1
+#       -Range: 0-300
+
+# Propanoate, C2H5COO-
+        + 1.0000 C2H5COOH  =  C2H5COO-  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.8892
+        -delta_h +122.630 kcal/mol
+        -analytic -9.5201e+001 -3.2154e-002 2.0655e+003 3.7566e+001 3.2258e+001
+#       -Range: 0-300
+
+# C2H5COOH, C2H5COOH
+      + 3.0000 HCO3- + 3.0000 H+  =  C2H5COOH  + 3.5000 O2
+        -llnl_gamma           3.0
+        log_k    -250.1276
+        -delta_h +122.470 kcal/mol
+        -analytic -2.2143E+03 -3.6918E-01 -5.6115E+02 8.3892E+02 -1.6485E-01
+#       -Range: 0-300
+
+# Sebacate, C10H16O4-2
+    + 5.0000 CH3COOH  =  C10H16O4-2  + 2.5000 O2  + 2.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.5446
+        -delta_h +246.230 kcal/mol
+        -analytic -2.7931e+002 -6.9587e-002 -4.8910e+004 1.0481e+002 -7.6312e+002
+#       -Range: 0-300
+
+# Sebacic_acid, C10H18O4
+      + 5.0000 CH3COOH  =  C10H18O4  + 2.5000 O2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -904.7629
+        -delta_h +246.000 kcal/mol
+        -analytic -2.2715e+002 -2.7047e-002 -4.8330e+004 8.1858e+001 -7.5408e+002
+#       -Range: 0-300
+
+# Serine, C3H7NO3
+    + 1.5000 C2H5NO2 + 0.5000 H2O  =  C3H7NO3  + 0.5000 NH3  + 0.2500 O2
+        -llnl_gamma           3.0
+        log_k    -189.3549
+        -delta_h +170.800 kcal/mol
+        -analytic -3.4133e+001 -7.9911e-005 -6.6066e+003 1.1810e+001 -1.0308e+002
+#       -Range: 0-300
+
+# Sr(Ala)+, Sr(C3H6NO2)+
+      + 1.0000 Sr+2 + 1.0000 C3H7NO2  =  Sr(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.6244
+        -delta_h +247.624 kcal/mol
+        -analytic -1.5372e-001 6.3659e-003 -5.3387e+003 9.4940e-001 3.7366e+005
+#       -Range: 0-300
+
+# Sr(Ala)2, Sr(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Sr+2  =  Sr(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -19.7391
+        -delta_h +363.933 kcal/mol
+        -analytic 2.2701e+001 5.7649e-003 -1.5582e+004 -2.6780e+000 1.3116e+006
+#       -Range: 0-300
+
+# Sr(But)+, Sr(CH3(CH2)2CO2)+
+      + 1.0000 Sr+2 + 1.0000 C3H7COOH  =  Sr(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.6876
+        -delta_h +257.725 kcal/mol
+        -analytic 3.9063e+000 4.6099e-003 -3.2349e+003 -1.7801e+000 4.7152e+005
+#       -Range: 0-300
+
+# Sr(But)2, Sr(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Sr+2  =  Sr(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.716
+        -delta_h +383.903 kcal/mol
+        -analytic -7.5798e+000 1.7956e-003 -9.0604e+003 4.8509e+000 1.3997e+006
+#       -Range: 0-300
+
+# Sr(For)+, Sr(CHO2)+
+      + 1.0000 Sr+2 + 1.0000 HCOOH  =  Sr(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3632
+        -delta_h +233.167 kcal/mol
+        -analytic -7.7187e+000 -1.6025e-003 -1.4308e+002 2.3659e+000 4.1368e+004
+#       -Range: 0-300
+
+# Sr(For)2, Sr(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Sr+2  =  Sr(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.2857
+        -delta_h +335.415 kcal/mol
+        -analytic 1.2568e+001 -4.6580e-003 -2.6237e+003 -4.2863e+000 2.6225e+005
+#       -Range: 0-300
+
+# Sr(Gly)+, Sr(C2H4NO2)+
+      + 1.0000 Sr+2 + 1.0000 C2H5NO2  =  Sr(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -8.8283
+        -delta_h +239.307 kcal/mol
+        -analytic 2.8102e+000 7.4407e-003 -4.2138e+003 -8.6544e-001 2.1596e+005
+#       -Range: 0-300
+
+# Sr(Gly)2, Sr(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Sr+2  =  Sr(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -18.1764
+        -delta_h +347.420 kcal/mol
+        -analytic -2.8343e+001 -5.5578e-004 -9.2508e+003 1.3694e+001 6.6583e+005
+#       -Range: 0-300
+
+# Sr(Glyc)+, Sr(CH3OCO2)+
+      + 1.0000 Sr+2 + 1.0000 C2H4O3  =  Sr(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.5237
+        -delta_h +286.078 kcal/mol
+        -analytic -6.4133e+000 5.4199e-004 -1.3135e+003 2.2348e+000 2.3242e+005
+#       -Range: 0-300
+
+# Sr(Glyc)2, Sr(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Sr+2  =  Sr(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3971
+        -delta_h +441.109 kcal/mol
+        -analytic 1.3286e+001 -5.0599e-004 -5.9522e+003 -3.1148e+000 8.1395e+005
+#       -Range: 0-300
+
+# Sr(Lac)+, Sr(CH3CH2OCO2)+
+      + 1.0000 Sr+2 + 1.0000 C3H6O3  =  Sr(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.8829
+        -delta_h +295.697 kcal/mol
+        -analytic -4.0445e+000 1.9255e-003 -1.8712e+003 1.2700e+000 3.3209e+005
+#       -Range: 0-300
+
+# Sr(Lac)2, Sr(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Sr+2  =  Sr(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -6.0561
+        -delta_h +459.421 kcal/mol
+        -analytic -1.4468e+001 -2.5097e-003 -6.2399e+003 7.4467e+000 1.0390e+006
+#       -Range: 0-300
+
+# Sr(Pent)+, Sr(CH3(CH2)3CO2)+
+      Sr+2  + 1.0000 C4H9COOH  =  Sr(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.0475
+        -delta_h +263.755 kcal/mol
+        -analytic -1.6735e+001 4.7533e-003 -3.4901e+003 5.9457e+000 6.4784e+005
+#       -Range: 0-300
+
+# Sr(Pent)2, Sr(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Sr+2  =  Sr(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -10.3845
+        -delta_h +395.432 kcal/mol
+        -analytic -2.1107e+001 5.6147e-003 -1.2655e+004 1.1415e+001 2.0705e+006
+#       -Range: 0-300
+
+# Sr(Prop)+, Sr(CH3CH2CO2)+
+      Sr+2  + 1.0000 C2H5COOH  =  Sr(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.6568
+        -delta_h +252.548 kcal/mol
+        -analytic -6.6891e+000 2.5586e-003 -2.4244e+003 2.0550e+000 3.8526e+005
+#       -Range: 0-300
+
+# Sr(Prop)2, Sr(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Sr+2  =  Sr(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.653
+        -delta_h +374.036 kcal/mol
+        -analytic -1.7427e+001 2.9439e-004 -7.2086e+003 7.6682e+000 1.1487e+006
+#       -Range: 0-300
+
+# Suberate, C8H12O4-2
+    + 4.0000 CH3COOH  =  C8H12O4-2  + 2.0000 H+  + 1.5000 O2  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.508
+        -delta_h +238.130 kcal/mol
+        -analytic -2.2072e+002 -7.2265e-002 -2.8694e+004 8.5459e+001 -4.4768e+002
+#       -Range: 0-300
+
+# Suberic_acid, C8H14O4
+      + 4.0000 CH3COOH  =  C8H14O4  + 1.5000 O2  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -685.0983
+        -delta_h +237.760 kcal/mol
+        -analytic 3.0275e+002 3.8350e-002 -5.4760e+004 -1.0730e+002 1.5882e+006
+#       -Range: 0-300
+
+# Succinate, C4H4O4-2
+    + 2.0000 CH3COOH + 0.5000 O2  =  C4H4O4-2  + 2.0000 H+  + 1.0000 H2O
+        -llnl_gamma           4.0
+        log_k    -4.2075
+        -delta_h +217.350 kcal/mol
+        -analytic -1.2187e+002 -7.6672e-002 1.1465e+004 5.2865e+001 1.7894e+002
+#       -Range: 0-300
+
+# Succinic_acid, C4H6O4
+    + 4.0000 HCO3- + 4.0000 H+  =  C4H6O4  + 1.0000 H2O  + 3.5000 O2
+        -llnl_gamma           3.0
+        log_k    -249.5736
+        -delta_h +218.000 kcal/mol
+        -analytic -2.2145E+03 -3.6471E-01 -5.6115E+02 8.3864E+02 -1.6486E-01
+#       -Range: 0-300
+
+# Threonine, C4H9NO3
+    + 2.0000 C2H5NO2 + 1.0000 H2O  =  C4H9NO3  + 1.0000 NH3  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    -298.0694
+        -delta_h +179.100 kcal/mol
+        -analytic -1.0140e+002 6.4713e-004 -2.0508e+004 3.5679e+001 -3.1999e+002
+#       -Range: 0-300
+
+# Toluene, C6H5CH3
+    + 7.0000 HCO3- + 7.0000 H+  =  C6H5CH3  + 9.0000 O2  + 3.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -643.4017
+        -delta_h -3.28 kcal/mol
+        -analytic -5.7062E+03 -9.5845E-01 -6.8381E+02 2.1621E+03 -1.1553E+00
+#       -Range: 0-300
+
+# Tryptophan, C11H12N2O2
+    + 5.5000 C2H5NO2  =  C11H12N2O2  + 3.5000 NH3  + 3.2500 O2  + 2.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -821.6547
+        -delta_h +97.800 kcal/mol
+        -analytic 2.0110e+002 6.4379e-002 -9.2769e+004 -6.7930e+001 2.8656e+006
+#       -Range: 0-300
+
+# Tyrosine, C9H11NO3
+    + 4.5000 C2H5NO2  =  C9H11NO3  + 3.5000 NH3  + 2.7500 O2  + 0.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -685.9078
+        -delta_h +157.400 kcal/mol
+        -analytic 8.1097e+001 4.1846e-002 -7.3858e+004 -2.6230e+001 1.7718e+006
+#       -Range: 0-300
+
+# Undecanoate, C11H21O2-
+      + 5.5000 CH3COOH  =  C11H21O2-  + 4.5000 O2  + 1.0000 H+
+        -llnl_gamma           4.0
+        log_k    -4.9258
+        -delta_h +168.370 kcal/mol
+        -analytic -3.4192e+002 -1.8413e-002 -8.6143e+004 1.1839e+002 -1.3441e+003
+#       -Range: 0-300
+
+# Undecanoic_acid, C11H22O2
+        + 5.5000 CH3COOH  =  C11H22O2  + 4.5000 O2
+        -llnl_gamma           3.0
+        log_k    -1119.4911
+        -delta_h +167.870 kcal/mol
+        -analytic -3.8607e+002 -2.5829e-002 -8.4510e+004 1.3690e+002 -1.3186e+003
+#       -Range: 0-300
+
+# Urea, (NH2)2CO
+    + 2.0000 NH3 + 1.0000 HCO3- + 1.0000 H+  =  (NH2)2CO  + 2.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -NH3(aq)
+        -delta_h +48.720 kcal/mol
+        -analytic 1.0904e+002 3.5979e-002 -6.9287e+002 -4.4776e+001 -1.0844e+001
+#       -Range: 0-300
+
+# Valine, C5H11NO2
+    + 2.5000 C2H5NO2 + 1.5000 H2O  =  C5H11NO2  + 2.2500 O2  + 1.5000 NH3
+        -llnl_gamma           3.0
+        log_k    +8.7263
+        -delta_h +147.300 kcal/mol
+        -analytic 3.7382e+001 2.7415e-002 -5.6188e+004 -1.2674e+001 1.1178e+006
+#       -Range: 0-300
+
+# Yb(But)+2, Yb(CH3(CH2)2CO2)+2
+      + 1.0000 Yb+3 + 1.0000 C3H7COOH  =  Yb(CH3(CH2)2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1382
+        -delta_h +291.999 kcal/mol
+        -analytic -1.2860e+001 1.7057e-003 -2.0611e+003 4.3737e+000 5.6186e+005
+#       -Range: 0-300
+
+# Yb(But)2+, Yb(CH3(CH2)2CO2)2+
+      + 2.0000 C3H7COOH + 1.0000 Yb+3  =  Yb(CH3(CH2)2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.046
+        -delta_h +422.417 kcal/mol
+        -analytic -2.4830e+001 4.6045e-003 -5.0416e+003 8.6785e+000 1.2339e+006
+#       -Range: 0-300
+
+# Yb(For)+2, Yb(CHO2)+2
+      + 1.0000 Yb+3 + 1.0000 HCOOH  =  Yb(CHO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.0533
+        -delta_h +265.749 kcal/mol
+        -analytic -4.3955e+000 -1.0863e-003 -2.9561e+002 1.0868e+000 1.7552e+005
+#       -Range: 0-300
+
+# Yb(For)2+, Yb(CHO2)2+
+      + 2.0000 HCOOH + 1.0000 Yb+3  =  Yb(CHO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.8858
+        -delta_h +370.998 kcal/mol
+        -analytic 1.6276e+000 -3.1580e-003 -1.1548e+002 -2.0889e+000 1.7727e+005
+#       -Range: 0-300
+
+# Yb(Pent)+2, Yb(CH3(CH2)3CO2)+2
+      Yb+3  + 1.0000 C4H9COOH  =  Yb(CH3(CH2)3CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.1675
+        -delta_h +298.479 kcal/mol
+        -analytic -2.3047e+001 2.8250e-003 -2.9411e+003 8.5036e+000 7.8951e+005
+#       -Range: 0-300
+
+# Yb(Pent)2+, Yb(CH3(CH2)3CO2)2+
+      + 2.0000 C4H9COOH + 1.0000 Yb+3  =  Yb(CH3(CH2)3CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.1142
+        -delta_h +434.659 kcal/mol
+        -analytic -5.2700e+001 8.2187e-003 -7.2378e+003 1.9860e+001 1.8060e+006
+#       -Range: 0-300
+
+# Yb(Prop)+2, Yb(CH3CH2CO2)+2
+      Yb+3  + 1.0000 C2H5COOH  =  Yb(CH3CH2CO2)+2  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -2.3266
+        -delta_h +286.522 kcal/mol
+        -analytic -6.7242e+000 2.3108e-003 -2.1680e+003 2.0842e+000 5.1913e+005
+#       -Range: 0-300
+
+# Yb(Prop)2+, Yb(CH3CH2CO2)2+
+      + 2.0000 C2H5COOH + 1.0000 Yb+3  =  Yb(CH3CH2CO2)2+  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.3927
+        -delta_h +412.078 kcal/mol
+        -analytic -3.8113e+001 1.3154e-003 -3.4162e+003 1.3121e+001 1.0092e+006
+#       -Range: 0-300
+
+# Zn(Ala)+, Zn(C3H6NO2)+
+      + 1.0000 Zn+2 + 1.0000 C3H7NO2  =  Zn(C3H6NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -5.4147
+        -delta_h +161.048 kcal/mol
+        -analytic 1.2672e+001 6.7980e-003 -5.1247e+003 -3.5266e+000 5.1686e+005
+#       -Range: 0-300
+
+# Zn(Ala)2, Zn(C3H6NO2)2
+      + 2.0000 C3H7NO2 + 1.0000 Zn+2  =  Zn(C3H6NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -11.4994
+        -delta_h +283.389 kcal/mol
+        -analytic 4.4585e+001 1.2039e-002 -1.3805e+004 -1.1865e+001 1.4233e+006
+#       -Range: 0-300
+
+# Zn(But)+, Zn(CH3(CH2)2CO2)+
+      + 1.0000 Zn+2 + 1.0000 C3H7COOH  =  Zn(CH3(CH2)2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.3682
+        -delta_h +166.539 kcal/mol
+        -analytic -1.6276e+001 9.6461e-004 -1.8810e+003 5.4462e+000 4.8622e+005
+#       -Range: 0-300
+
+# Zn(But)2, Zn(CH3(CH2)2CO2)2
+      + 2.0000 C3H7COOH + 1.0000 Zn+2  =  Zn(CH3(CH2)2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.2956
+        -delta_h +296.560 kcal/mol
+        -analytic -1.3591e+001 4.2586e-003 -7.2513e+003 5.4031e+000 1.4233e+006
+#       -Range: 0-300
+
+# Zn(For)+, Zn(CHO2)+
+      + 1.0000 Zn+2 + 1.0000 HCOOH  =  Zn(CHO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.9828
+        -delta_h +140.698 kcal/mol
+        -analytic -1.1156e+001 -2.5823e-003 7.3093e+001 3.4639e+000 1.0064e+005
+#       -Range: 0-300
+
+# Zn(For)2, Zn(CHO2)2
+      + 2.0000 HCOOH + 1.0000 Zn+2  =  Zn(CHO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.5857
+        -delta_h +245.726 kcal/mol
+        -analytic -7.1074e-001 -3.3021e-003 -9.4938e+002 -1.0872e+000 2.6619e+005
+#       -Range: 0-300
+
+# Zn(Gly)+, Zn(C2H4NO2)+
+      + 1.0000 Zn+2 + 1.0000 C2H5NO2  =  Zn(C2H4NO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -4.398
+        -delta_h +151.609 kcal/mol
+        -analytic 1.4690e+000 6.2605e-003 -3.1652e+003 -1.7705e-001 2.9610e+005
+#       -Range: 0-300
+
+# Zn(Gly)2, Zn(C2H4NO2)2
+      + 2.0000 C2H5NO2 + 1.0000 Zn+2  =  Zn(C2H4NO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -9.7468
+        -delta_h +267.408 kcal/mol
+        -analytic -6.7271e+000 5.7103e-003 -7.3518e+003 4.5306e+000 7.7709e+005
+#       -Range: 0-300
+
+# Zn(Glyc)+, Zn(CH3OCO2)+
+      + 1.0000 Zn+2 + 1.0000 C2H4O3  =  Zn(CH3OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.4536
+        -delta_h +194.550 kcal/mol
+        -analytic -1.1705e+001 -8.4917e-004 -8.2775e+002 4.0500e+000 2.9059e+005
+#       -Range: 0-300
+
+# Zn(Glyc)2, Zn(CH3OCO2)2
+      + 2.0000 C2H4O3 + 1.0000 Zn+2  =  Zn(CH3OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.4371
+        -delta_h +353.139 kcal/mol
+        -analytic 6.2982e-001 9.5823e-004 -3.9294e+003 -1.4746e-001 8.1885e+005
+#       -Range: 0-300
+
+# Zn(Lac)+, Zn(CH3CH2OCO2)+
+      + 1.0000 Zn+2 + 1.0000 C3H6O3  =  Zn(CH3CH2OCO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -1.6632
+        -delta_h +200.064 kcal/mol
+        -analytic -1.2294e+001 1.2442e-003 -1.5665e+003 4.7943e+000 3.2586e+005
+#       -Range: 0-300
+
+# Zn(Lac)2, Zn(CH3CH2OCO2)2
+      + 2.0000 C3H6O3 + 1.0000 Zn+2  =  Zn(CH3CH2OCO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.9758
+        -delta_h +364.728 kcal/mol
+        -analytic 3.8951e+000 2.6835e-003 -7.1188e+003 1.0404e+000 1.1253e+006
+#       -Range: 0-300
+
+# Zn(Pent)+, Zn(CH3(CH2)3CO2)+
+      Zn+2  + 1.0000 C4H9COOH =  Zn(CH3(CH2)3CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.4869
+        -delta_h +172.896 kcal/mol
+        -analytic -1.1325e+001 4.3921e-003 -3.5920e+003 4.0708e+000 7.5781e+005
+#       -Range: 0-300
+
+# Zn(Pent)2, Zn(CH3(CH2)3CO2)2
+      + 2.0000 C4H9COOH + 1.0000 Zn+2  =  Zn(CH3(CH2)3CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.5243
+        -delta_h +308.690 kcal/mol
+        -analytic -1.2210e+001 1.0120e-002 -1.1570e+004 6.6228e+000 2.1453e+006
+#       -Range: 0-300
+
+# Zn(Prop)+, Zn(CH3CH2CO2)+
+      Zn+2  + 1.0000 C2H5COOH  =  Zn(CH3CH2CO2)+  + 1.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -3.6467
+        -delta_h +160.939 kcal/mol
+        -analytic -1.2581e+001 1.0699e-003 -1.9249e+003 4.0899e+000 4.4167e+005
+#       -Range: 0-300
+
+# Zn(Prop)2, Zn(CH3CH2CO2)2
+      + 2.0000 C2H5COOH + 1.0000 Zn+2  =  Zn(CH3CH2CO2)2  + 2.0000 H+
+        -llnl_gamma         3.0           
+        log_k    -7.8029
+        -delta_h +285.915 kcal/mol
+        -analytic 5.0990e+000 6.7118e-003 -7.1926e+003 -2.0259e+000 1.2684e+006
+#       -Range: 0-300
+
+# a-Aminobutyric_acid, C4H9NO2
+    + 2.0000 C2H5NO2 + 1.0000 H2O  =  C4H9NO2  + 1.5000 O2  + 1.0000 NH3
+        -llnl_gamma           3.0
+        log_k    +8.5576
+        -delta_h +138.180 kcal/mol
+        -analytic -1.4296e+002 -5.6984e-004 -2.6712e+004 5.0706e+001 -4.1677e+002
+#       -Range: 0-300
+
+# m-Toluate, C8H7O2-
+    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
+        -llnl_gamma           4.0
+        log_k    -1.9205
+        -delta_h +95.350 kcal/mol
+        -analytic -2.1064e+002 -3.7768e-002 -1.3591e+004 7.7265e+001 -2.1201e+002
+#       -Range: 0-300
+
+# m-Toluic_acid, C8H8O2
+      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    +2.3383
+        -delta_h +95.450 kcal/mol
+        -analytic -3.8131e+000 4.7688e-003 -2.3805e+004 1.3041e+000 6.1998e+005
+#       -Range: 0-300
+
+# n-Butane, C4H10
+      + 2.0000 C2H6 + 0.5000 O2  =  C4H10  + 1.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -471.7285
+        -delta_h +36.230 kcal/mol
+        -analytic -4.4434e+001 -1.4522e-002 1.4959e+004 1.6121e+001 -3.5819e+005
+#       -Range: 0-300
+
+# n-Butylbenzene, C6H5C4H9
+#      + 6.0000 H2O + 5.0000 C6H6  =  C6H5C4H9  + 3.0000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -2907.6453
+#        -delta_h +14.430 kcal/mol
+#        -analytic 6.8560e+002 1.2459e-001 -1.0249e+005 -2.5284e+002 2.3594e+006
+#       -Range: 0-300
+
+# n-Heptane, C7H16
+      + 3.5000 C2H6 + 1.2500 O2  =  C7H16  + 2.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -797.97
+        -delta_h +52.950 kcal/mol
+        -analytic 1.3006e+002 -5.8965e-003 2.2874e+004 -4.5370e+001 3.5689e+002
+#       -Range: 0-300
+
+# n-Heptylbenzene, C6H5C7H15
+#      + 10.5000 H2O + 6.5000 C6H6  =  C6H5C7H15  + 5.2500 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -3886.5811
+#        -delta_h +31.090 kcal/mol
+#        -analytic -5.4784e+001 4.5194e-002 -1.1072e+005 8.0680e+000 -1.7277e+003
+#       -Range: 0-300
+
+# n-Hexane, C6H14
+      + 3.0000 C2H6 + 1.0000 O2  =  C6H14  + 2.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -689.2922
+        -delta_h +47.400 kcal/mol
+        -analytic -8.0362e+001 -2.8468e-002 2.9412e+004 2.9224e+001 -7.0316e+005
+#       -Range: 0-300
+
+# n-Hexylbenzene, C6H5C6H13
+      + 3.0000 H2O + 2.0000 C6H6  =  C6H5C6H13  + 1.5000 O2
+        -llnl_gamma           3.0
+        log_k    -1186.7026
+        -delta_h +25.590 kcal/mol
+        -analytic 3.5759e+002 6.3935e-002 -5.2899e+004 -1.3148e+002 1.2819e+006
+#       -Range: 0-300
+
+# n-Octane, C8H18
+      + 4.0000 C2H6 + 1.5000 O2  =  C8H18  + 3.0000 H2O
+        -llnl_gamma           3.0
+        log_k    -906.6918
+        -delta_h +59.410 kcal/mol
+        -analytic -1.4173e+002 -4.6447e-002 4.5236e+004 5.1540e+001 -1.1006e+006
+#       -Range: 0-300
+
+# n-Octylbenzene, C6H5C8H17
+#      + 12.0000 H2O + 7.0000 C6H6  =  C6H5C8H17  + 6.0000 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -4212.6143
+#        -delta_h +36.760 kcal/mol
+#        -analytic 1.2934e+003 2.4001e-001 -2.0402e+005 -4.7773e+002 4.5749e+006
+#       -Range: 0-300
+
+# n-Pentane, C5H12
+      + 2.5000 C2H6 + 0.7500 O2  =  C5H12  + 1.5000 H2O
+        -llnl_gamma           3.0
+        log_k    -580.4385
+        -delta_h +41.560 kcal/mol
+        -analytic 8.4526e+000 -1.1432e-002 1.8295e+004 -2.8367e+000 -3.1818e+005
+#       -Range: 0-300
+
+# n-Pentylbenzene, C6H5C5H11
+#      + 7.5000 H2O + 5.5000 C6H6  =  C6H5C5H11  + 3.7500 O2
+#	does not balance
+#        -llnl_gamma           3.0
+#        log_k    -3233.7886
+#        -delta_h +19.750 kcal/mol
+#        -analytic 2.9887e+002 7.2990e-002 -9.9228e+004 -1.1348e+002 1.3767e+006
+#       -Range: 0-300
+
+# n-Propylbenzene, C6H5C3H7
+      + 1.5000 H2O + 1.5000 C6H6  =  C6H5C3H7  + 0.7500 O2
+        -llnl_gamma           3.0
+        log_k    -860.618
+        -delta_h +8.630 kcal/mol
+        -analytic -4.3768e+000 6.3937e-003 -1.5469e+004 0.0000e+000 0.0000e+000
+#       -Range: 0-300
+
+# o-Toluate, C8H7O2-
+    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
+        -llnl_gamma           4.0
+        log_k    -3.9069
+        -delta_h +94.070 kcal/mol
+        -analytic -2.2819e+002 -3.9422e-002 -1.3238e+004 8.3275e+001 -2.0650e+002
+#       -Range: 0-300
+
+# o-Toluic_acid, C8H8O2
+      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    -642.3493
+        -delta_h +92.640 kcal/mol
+        -analytic 8.2106e+001 1.6240e-002 -2.9218e+004 -2.9637e+001 8.9007e+005
+#       -Range: 0-300
+
+# p-Toluate, C8H7O2-
+    + 4.0000 CH3COOH  =  C8H7O2-  + 4.0000 H2O  + 1.0000 H+  + 1.0000 O2
+        -llnl_gamma           4.0
+        log_k    -1.6786
+        -delta_h +96.160 kcal/mol
+        -analytic -1.9101e+002 -3.8193e-002 -1.4330e+004 7.0482e+001 -2.2355e+002
+#       -Range: 0-300
+
+# p-Toluic_acid, C8H8O2
+      + 4.0000 CH3COOH  =  C8H8O2  + 4.0000 H2O  + 1.0000 O2
+        -llnl_gamma           3.0
+        log_k    +2.6901
+        -delta_h +96.190 kcal/mol
+        -analytic 1.5812e+002 2.5784e-002 -3.1991e+004 -5.7207e+001 1.0103e+006
+#       -Range: 0-300
+
+# U(But)+2, U(CH3(CH2)2CO2)+2
+	1.0000 U+3  + 1.0000 C3H7COOH = U(CH3(CH2)2CO2)+2 + 1.0000 H+
+        -llnl_gamma           4.5
+        log_k    -2.1498
+        -delta_h  248.272 kcal/mol
+	-analytic  4.8984E+01	2.2598E-02	-5.4323E+02	-2.2538E+01	1.6299E+00
+#       -Range: 0-300
+
+# U(But)2+, U(CH3(CH2)2CO2)2+
+	1.0000 U+3  + 2.0000 C3H7COOH = U(CH3(CH2)2CO2)2+ + 2.0000 H+
+        -llnl_gamma           4.5
+        log_k    -4.9572
+        -delta_h  377.871 kcal/mol
+	-analytic  7.8056E+01	4.5216E-02	-5.4214E+02	-3.8131E+01	1.6380E+00
+#       -Range: 0-300
+
+# U(For)+2, U(CHO2)+2
+	1.0000 U+3  + 1.0000 HCOOH = U(CHO2)+2 + 1.0000 H+
+        -llnl_gamma           4.5
+        log_k    -1.0650
+        -delta_h  221.372 kj/mol
+	-analytic 3.4236E+01  7.8056E+01	4.5216E-02	-5.4214E+02	-3.8131E+01	1.6380E+00
+#       -Range: 0-300
+
+# U(For)2+, U(CHO2)2+
+	1.0000 U+3  + 2.0000 HCOOH = U(CHO2)2+ + 2.0000 H+
+        -llnl_gamma           4.0
+        log_k    -2.2378
+        -delta_h  325.914 kj/mol
+	-analytic  3.4236E+01	3.5094E-03	-5.4368E+02	-1.4325E+01	1.6273E+00
+#	-Range: 0-300
+
+# U(Pent)+2, U(CH3(CH2)3CO2)+2
+	1.0000 U+3  + 1.0000 C4H9COOH = U(CH3(CH2)3CO2)+2 + 1.0000 H+
+        -llnl_gamma           4.5
+        log_k    -2.1791
+        -delta_h  254.046 kj/mol
+	-analytic  6.0007E+01	3.2104E-02	-5.4273E+02	-2.8145E+01	1.6343E+00
+#	-Range: 0-300
+
+# U(Prop)+2, U(CH3CH2CO2)+2
+	1.0000 U+3  + 1.0000 C2H5COOH = U(CH3CH2CO2)+2 + 1.0000 H+
+        -llnl_gamma           4.5
+        log_k    -2.2084
+        -delta_h  242.291 kj/mol
+	-analytic  4.5186E+01	2.0784E-02	-5.4323E+02	-2.0809E+01	1.6310E+00
+#	-Range: 0-300
+
+# U(Prop)2+, U(CH3CH2CO2)2+
+	1.0000 U+3  + 2.0000 C2H5COOH = U(CH3CH2CO2)2+ + 2.0000 H+
+        -llnl_gamma           4.0
+        log_k    -5.3149
+        -delta_h  366.155 kj/mol
+	-analytic  6.7383E+01	3.8662E-02	-5.4239E+02	-3.3175E+01	1.6373E+00
+#	-Range: 0-300
+
+3.0000 H+  + 1.0000 HCO3- + 1.0000 SO4-2 = CH3SH + 3.5 O2		# Methanethiol
+        -llnl_gamma           3.0    
+        log_k            -242.047					# from supcrt92
+#	Enthalpy of formation:	-11.650	kcal/mol			# from supcrt92
+	-delta_H	360498 cal/mol					# from supcrt92 
+        -analytic    -2.03598E+03	-2.78169E-01	-6.13323E+02	7.59329E+02	1.13938E+00
+#       -Range:  0-350
+
+4.0000 H+  + 2.0000 HCO3- + 1.0000 SO4-2 = C2H5SH + 5.0 O2		# Ethanethiol
+        -llnl_gamma           3.0    
+        log_k            -349.764					# from supcrt92
+#	Enthalpy of formation:	-17.820	kcal/mol			# from supcrt92
+	-delta_H	514876 cal/mol					# from supcrt92 
+        -analytic    -2.96331E+03	-4.22107E-01	-1.00319E+02	1.10720E+03	2.90155E-01
+#       -Range:  0-350
+
+5.0000 H+  + 3.0000 HCO3- + 1.0000 SO4-2 = C3H7SH + 6.5 O2		# Propanethiol
+        -llnl_gamma           3.0    
+        log_k            -458.757					# from supcrt92
+#	Enthalpy of formation:	-23.320	kcal/mol			# from supcrt92
+	-delta_H	669924 cal/mol					# from supcrt92 
+        -analytic    -3.88470E+03	-5.63950E-01	-1.31641E+02	1.45265E+03	6.67442E-02
+#       -Range:  0-350
+
+6.0000 H+  + 4.0000 HCO3- + 1.0000 SO4-2 = C4H9SH + 8.0 O2		# Butanethiol
+        -llnl_gamma           3.0    
+        log_k            -567.530					# from supcrt92
+#	Enthalpy of formation:	-28.630	kcal/mol			# from supcrt92
+	-delta_H	825162 cal/mol					# from supcrt92 
+        -analytic    -4.80261E+03	-7.05108E-01	-1.62840E+02	1.79669E+03	-1.59893E-01
+#       -Range:  0-350
+
+7.0000 H+  + 5.0000 HCO3- + 1.0000 SO4-2 = C5H11SH + 9.5 O2		# Pentanethiol
+        -llnl_gamma           3.0    
+        log_k            -676.604					# from supcrt92
+#	Enthalpy of formation:	-34.530	kcal/mol			# from supcrt92
+	-delta_H	979810 cal/mol					# from supcrt92 
+        -analytic    -5.71970E+03	-8.46049E-01	-1.94013E+02	2.14026E+03	-3.61870E-01
+#       -Range:  0-350
+
+8.0000 H+  + 6.0000 HCO3- + 1.0000 SO4-2 = C6H13SH + 11.0 O2		# Hexanethiol
+        -llnl_gamma           3.0    
+        log_k            -785.084					# from supcrt92
+#	Enthalpy of formation:	-40.200	kcal/mol			# from supcrt92
+	-delta_H	1134688 cal/mol					# from supcrt92 
+        -analytic    -6.63401E+03	-9.86521E-01	-2.25089E+02	2.48288E+03	-5.76590E-01
+#       -Range:  0-350
+
+9.0000 H+  + 7.0000 HCO3- + 1.0000 SO4-2 = C7H15SH + 12.5 O2		# Heptanethiol
+        -llnl_gamma           3.0    
+        log_k             -893.762					# from supcrt92
+#	Enthalpy of formation:	-45.870	kcal/mol			# from supcrt92
+	-delta_H	1289566 cal/mol					# from supcrt92 
+        -analytic    -7.55009E+03	-1.12735E+00	-2.56223E+02	2.82618E+03	-8.06879E-01
+#       -Range:  0-350
+
+10.0000 H+  + 8.0000 HCO3- + 1.0000 SO4-2 = C8H17SH + 14.0 O2		# Octanethiol
+        -llnl_gamma           3.0    
+        log_k             -1002.439					# from supcrt92
+#	Enthalpy of formation:	-51.540	kcal/mol			# from supcrt92
+	-delta_H	1444444 cal/mol					# from supcrt92 
+        -analytic    -8.46618E+03	-1.26818E+00	-2.87362E+02	3.16949E+03	-1.03755E+00
+#       -Range:  0-350
+
+11.0000 H+  + 9.0000 HCO3- + 1.0000 SO4-2 = C9H19SH + 15.5 O2		# Nonanethiol
+        -llnl_gamma           3.0    
+        log_k             -1111.117					# from supcrt92
+#	Enthalpy of formation:	-57.210	kcal/mol			# from supcrt92
+	-delta_H	1599322 cal/mol					# from supcrt92 
+        -analytic    -9.38233E+03	-1.40904E+00	-3.18508E+02	3.51283E+03	-1.24321E+00
+#       -Range:  0-350
+
+12.0000 H+  + 10.0000 HCO3- + 1.0000 SO4-2 = C10H21SH + 17.0 O2		# Decanethiol
+        -llnl_gamma           3.0    
+        log_k            -1219.795					# from supcrt92
+#	Enthalpy of formation:	-62.880	kcal/mol			# from supcrt92
+	-delta_H	1754200 cal/mol					# from supcrt92 
+        -analytic    -1.02985E+04	-1.54990E+00	-3.49643E+02	3.85617E+03	-1.48034E+00
+#       -Range:  0-350
+
+PHASES
+
+Toluene(l)	# from J.Thom
+        C7H8 = C7H8
+        log_k	-2.2639168374931
+        -analytic 1.9804E+01 2.0653E-02 1.5436E+00 -1.1409E+01 2.8885E-03
+
+Toluene(g)	# from J.Thom
+        C7H8 = C7H8
+        log_k	-.67116
+        -analytic 7.43133e1 3.42616e-2 2.40651e0 -3.44352e1 -4.36135e0
+
+CH4(g)		# from J.Thom
+        CH4 = CH4
+        log_k	-2.8502
+        -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
+        -analytic  -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
+
+####################################
+
+#End of data entered Feb. 4, 2011
+
+#################################
+
+#  1122 minerals
+
+(UO2)2As2O7
+       (UO2)2As2O7 +2.0000 H+ +1.0000 H2O  =  + 2.0000 H2AsO4- + 2.0000 UO2++
+        log_k           7.7066
+	-delta_H	-145.281	kJ/mol	# Calculated enthalpy of reaction	(UO2)2As2O7
+#	Enthalpy of formation:	-3426 kJ/mol
+        -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002
+#       -Range:  0-300
+
+(UO2)2Cl3
+       (UO2)2Cl3  =  + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl-
+        log_k           12.7339
+	-delta_H	-140.866	kJ/mol	# Calculated enthalpy of reaction	(UO2)2Cl3
+#	Enthalpy of formation:	-2404.5 kJ/mol
+        -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002
+#       -Range:  0-300
+
+(UO2)2P2O7
+       (UO2)2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -14.6827
+	-delta_H	-103.726	kJ/mol	# Calculated enthalpy of reaction	(UO2)2P2O7
+#	Enthalpy of formation:	-4232.6 kJ/mol
+        -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002
+#       -Range:  0-300
+
+(UO2)3(AsO4)2
+       (UO2)3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 UO2++
+        log_k           9.3177
+	-delta_H	-186.72	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(AsO4)2
+#	Enthalpy of formation:	-4689.4 kJ/mol
+        -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002
+#       -Range:  0-300
+
+(UO2)3(PO4)2
+       (UO2)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++
+        log_k           -14.0241
+	-delta_H	-149.864	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2
+#	Enthalpy of formation:	-5491.3 kJ/mol
+        -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002
+#       -Range:  0-300
+
+(UO2)3(PO4)2:4H2O
+       (UO2)3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O
+        log_k           -27.0349
+	-delta_H	-45.4132	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2:4H2O
+#	Enthalpy of formation:	-6739.1 kJ/mol
+        -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001
+#       -Range:  0-200
+
+(VO)3(PO4)2
+       (VO)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 VO++
+        log_k           48.7864
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Acanthite
+        Ag2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Ag+
+        log_k           -36.0346
+	-delta_H	226.982	kJ/mol	# Calculated enthalpy of reaction	Acanthite
+#	Enthalpy of formation:	-7.55 kcal/mol
+        -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002
+#       -Range:  0-300
+
+Afwillite
+        Ca3Si2O4(OH)6 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O
+        log_k           60.0452
+	-delta_H	-316.059	kJ/mol	# Calculated enthalpy of reaction	Afwillite
+#	Enthalpy of formation:	-1143.31 kcal/mol
+        -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005
+#       -Range:  0-300
+
+Ag
+       Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+
+        log_k           7.9937
+	-delta_H	-34.1352	kJ/mol	# Calculated enthalpy of reaction	Ag
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001
+#       -Range:  0-300
+
+Ag3PO4
+       Ag3PO4 +1.0000 H+  =  + 1.0000 HPO4-- + 3.0000 Ag+
+        log_k           -5.2282
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag3PO4
+#	Enthalpy of formation:	0 kcal/mol
+
+Ahlfeldite
+        NiSeO3:2H2O  =  + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O
+        log_k           -4.4894
+	-delta_H	-25.7902	kJ/mol	# Calculated enthalpy of reaction	Ahlfeldite
+#	Enthalpy of formation:	-265.07 kcal/mol
+        -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001
+#       -Range:  0-200
+
+Akermanite
+        Ca2MgSi2O7 +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
+        log_k           45.3190
+	-delta_H	-288.575	kJ/mol	# Calculated enthalpy of reaction	Akermanite
+#	Enthalpy of formation:	-926.497 kcal/mol
+        -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005
+#       -Range:  0-300
+
+Al
+       Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O
+        log_k           149.9292
+	-delta_H	-958.059	kJ/mol	# Calculated enthalpy of reaction	Al
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005
+#       -Range:  0-300
+
+Al2(SO4)3
+       Al2(SO4)3  =  + 2.0000 Al+++ + 3.0000 SO4--
+        log_k           19.0535
+	-delta_H	-364.566	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3
+#	Enthalpy of formation:	-3441.04 kJ/mol
+        -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002
+#       -Range:  0-300
+
+Al2(SO4)3:6H2O
+       Al2(SO4)3:6H2O  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O
+        log_k           1.6849
+	-delta_H	-208.575	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3:6H2O
+#	Enthalpy of formation:	-5312.06 kJ/mol
+        -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002
+#       -Range:  0-300
+
+AlF3
+       AlF3  =  + 1.0000 Al+++ + 3.0000 F-
+        log_k           -17.2089
+	-delta_H	-34.0441	kJ/mol	# Calculated enthalpy of reaction	AlF3
+#	Enthalpy of formation:	-1510.4 kJ/mol
+        -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002
+#       -Range:  0-300
+
+Alabandite
+        MnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Mn++
+        log_k           -0.3944
+	-delta_H	-23.3216	kJ/mol	# Calculated enthalpy of reaction	Alabandite
+#	Enthalpy of formation:	-51 kcal/mol
+        -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001
+#       -Range:  0-300
+
+Alamosite
+        PbSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2
+        log_k           5.6733
+	-delta_H	-16.5164	kJ/mol	# Calculated enthalpy of reaction	Alamosite
+#	Enthalpy of formation:	-1146.1 kJ/mol
+        -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002
+#       -Range:  0-200
+
+Albite
+        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           2.7645
+	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite
+#	Enthalpy of formation:	-939.68 kcal/mol
+        -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006
+#       -Range:  0-300
+
+Albite_high
+        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           4.0832
+	-delta_H	-62.8562	kJ/mol	# Calculated enthalpy of reaction	Albite_high
+#	Enthalpy of formation:	-937.05 kcal/mol
+        -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006
+#       -Range:  0-300
+
+Albite_low
+        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           2.7645
+	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite_low
+#	Enthalpy of formation:	-939.68 kcal/mol
+        -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006
+#       -Range:  0-300
+
+Alstonite
+        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
+        log_k           2.5843
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Alstonite
+#	Enthalpy of formation:	0 kcal/mol
+
+Alum-K
+        KAl(SO4)2:12H2O  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O
+        log_k           -4.8818
+	-delta_H	14.4139	kJ/mol	# Calculated enthalpy of reaction	Alum-K
+#	Enthalpy of formation:	-1447 kcal/mol
+        -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002
+#       -Range:  0-300
+
+Alunite
+        KAl3(OH)6(SO4)2 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
+        log_k           -0.3479
+	-delta_H	-231.856	kJ/mol	# Calculated enthalpy of reaction	Alunite
+#	Enthalpy of formation:	-1235.6 kcal/mol
+        -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002
+#       -Range:  0-300
+
+Am
+       Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O
+        log_k           169.3900
+	-delta_H	-1036.36	kJ/mol	# Calculated enthalpy of reaction	Am
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-300
+
+Am(OH)3
+       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
+        log_k           15.2218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Am(OH)3(am)
+       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
+        log_k           17.0217
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Am2(CO3)3
+       Am2(CO3)3 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
+        log_k           -2.3699
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Am2C3
+       Am2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
+        log_k           503.9594
+	-delta_H	-3097.6	kJ/mol	# Calculated enthalpy of reaction	Am2C3
+#	Enthalpy of formation:	-151 kJ/mol
+        -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003
+#       -Range:  0-200
+
+Am2O3
+       Am2O3 +6.0000 H+  =  + 2.0000 Am+++ + 3.0000 H2O
+        log_k           51.7905
+	-delta_H	-400.515	kJ/mol	# Calculated enthalpy of reaction	Am2O3
+#	Enthalpy of formation:	-1690.4 kJ/mol
+        -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002
+#       -Range:  0-300
+
+AmBr3
+       AmBr3  =  + 1.0000 Am+++ + 3.0000 Br-
+        log_k           21.7826
+	-delta_H	-171.21	kJ/mol	# Calculated enthalpy of reaction	AmBr3
+#	Enthalpy of formation:	-810 kJ/mol
+        -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+AmCl3
+       AmCl3  =  + 1.0000 Am+++ + 3.0000 Cl-
+        log_k           14.3513
+	-delta_H	-140.139	kJ/mol	# Calculated enthalpy of reaction	AmCl3
+#	Enthalpy of formation:	-977.8 kJ/mol
+        -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001
+#       -Range:  0-200
+
+AmF3
+       AmF3  =  + 1.0000 Am+++ + 3.0000 F-
+        log_k           -13.1190
+	-delta_H	-34.7428	kJ/mol	# Calculated enthalpy of reaction	AmF3
+#	Enthalpy of formation:	-1588 kJ/mol
+        -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000
+#       -Range:  0-200
+
+AmF4
+       AmF4  =  + 1.0000 Am++++ + 4.0000 F-
+        log_k           -25.1354
+	-delta_H	-37.3904	kJ/mol	# Calculated enthalpy of reaction	AmF4
+#	Enthalpy of formation:	-1710 kJ/mol
+        -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000
+#       -Range:  0-200
+
+AmH2
+       AmH2 +2.0000 H+ +1.0000 O2  =  + 1.0000 Am++ + 2.0000 H2O
+        log_k           128.4208
+	-delta_H	-738.376	kJ/mol	# Calculated enthalpy of reaction	AmH2
+#	Enthalpy of formation:	-175.8 kJ/mol
+        -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002
+#       -Range:  0-300
+
+AmI3
+       AmI3  =  + 1.0000 Am+++ + 3.0000 I-
+        log_k           24.7301
+	-delta_H	-175.407	kJ/mol	# Calculated enthalpy of reaction	AmI3
+#	Enthalpy of formation:	-612 kJ/mol
+        -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002
+#       -Range:  0-200
+
+AmO2
+       AmO2 +4.0000 H+  =  + 1.0000 Am++++ + 2.0000 H2O
+        log_k           -9.4203
+	-delta_H	-45.4767	kJ/mol	# Calculated enthalpy of reaction	AmO2
+#	Enthalpy of formation:	-932.2 kJ/mol
+        -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001
+#       -Range:  0-300
+
+AmOBr
+       AmOBr +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O
+        log_k           13.7637
+	-delta_H	-131.042	kJ/mol	# Calculated enthalpy of reaction	AmOBr
+#	Enthalpy of formation:	-893 kJ/mol
+        -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002
+#       -Range:  0-200
+
+AmOCl
+       AmOCl +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O
+        log_k           11.3229
+	-delta_H	-119.818	kJ/mol	# Calculated enthalpy of reaction	AmOCl
+#	Enthalpy of formation:	-949.8 kJ/mol
+        -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002
+#       -Range:  0-300
+
+AmOHCO3
+       AmOHCO3 +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3-
+        log_k           3.1519
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOHCO3
+#	Enthalpy of formation:	0 kcal/mol
+
+AmPO4(am)
+        AmPO4 +1.0000 H+  =  + 1.0000 Am+++ + 1.0000 HPO4--
+        log_k           -12.4682
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmPO4(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Amesite-14A
+        Mg4Al4Si2O10(OH)8 +20.0000 H+  =  + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O
+        log_k           75.4571
+	-delta_H	-797.098	kJ/mol	# Calculated enthalpy of reaction	Amesite-14A
+#	Enthalpy of formation:	-2145.67 kcal/mol
+        -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002
+#       -Range:  0-300
+
+Analcime
+        Na.96Al.96Si2.04O6:H2O +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O
+        log_k           6.1396
+	-delta_H	-75.844	kJ/mol	# Calculated enthalpy of reaction	Analcime
+#	Enthalpy of formation:	-3296.86 kJ/mol
+        -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005
+#       -Range:  0-300
+
+Analcime-dehy
+        Na.96Al.96Si2.04O6 +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2
+        log_k           12.5023
+	-delta_H	-116.641	kJ/mol	# Calculated enthalpy of reaction	Analcime-dehy
+#	Enthalpy of formation:	-2970.23 kJ/mol
+        -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005
+#       -Range:  0-300
+
+Anatase
+        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
+        log_k           -8.5586
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Anatase
+#	Enthalpy of formation:	-939.942 kJ/mol
+
+Andalusite
+        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
+        log_k           15.9445
+	-delta_H	-235.233	kJ/mol	# Calculated enthalpy of reaction	Andalusite
+#	Enthalpy of formation:	-615.866 kcal/mol
+        -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002
+#       -Range:  0-300
+
+Andradite
+        Ca3Fe2(SiO4)3 +12.0000 H+  =  + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           33.3352
+	-delta_H	-301.173	kJ/mol	# Calculated enthalpy of reaction	Andradite
+#	Enthalpy of formation:	-1380.35 kcal/mol
+        -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005
+#       -Range:  0-300
+
+Anglesite
+        PbSO4  =  + 1.0000 Pb++ + 1.0000 SO4--
+        log_k           -7.8527
+	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
+#	Enthalpy of formation:	-219.87 kcal/mol
+        -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
+#       -Range:  0-300
+
+Anhydrite
+        CaSO4  =  + 1.0000 Ca++ + 1.0000 SO4--
+        log_k           -4.3064
+	-delta_H	-18.577	kJ/mol	# Calculated enthalpy of reaction	Anhydrite
+#	Enthalpy of formation:	-342.76 kcal/mol
+        -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001
+#       -Range:  0-300
+
+Annite
+        KFe3AlSi3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           29.4693
+	-delta_H	-259.964	kJ/mol	# Calculated enthalpy of reaction	Annite
+#	Enthalpy of formation:	-1232.19 kcal/mol
+        -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005
+#       -Range:  0-300
+
+Anorthite
+        CaAl2(SiO4)2 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O
+        log_k           26.5780
+	-delta_H	-303.039	kJ/mol	# Calculated enthalpy of reaction	Anorthite
+#	Enthalpy of formation:	-1007.55 kcal/mol
+        -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005
+#       -Range:  0-300
+
+Antarcticite
+        CaCl2:6H2O  =  + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O
+        log_k           4.0933
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antarcticite
+#	Enthalpy of formation:	0 kcal/mol
+
+Anthophyllite
+        Mg7Si8O22(OH)2 +14.0000 H+  =  + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
+        log_k           66.7965
+	-delta_H	-483.486	kJ/mol	# Calculated enthalpy of reaction	Anthophyllite
+#	Enthalpy of formation:	-2888.75 kcal/mol
+        -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006
+#       -Range:  0-300
+
+Antigorite
+#        Mg48Si24O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
+        Mg48Si34O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O 
+        log_k           477.1943
+	-delta_H	-3364.43	kJ/mol	# Calculated enthalpy of reaction	Antigorite
+#	Enthalpy of formation:	-17070.9 kcal/mol
+        -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006
+#       -Range:  0-300
+
+Antlerite
+        Cu3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O
+        log_k           8.7302
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antlerite
+#	Enthalpy of formation:	0 kcal/mol
+
+Aphthitalite
+        NaK3(SO4)2  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+
+        log_k           -3.8878
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Aphthitalite
+#	Enthalpy of formation:	0 kcal/mol
+
+Aragonite
+        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
+        log_k           1.9931
+	-delta_H	-25.8027	kJ/mol	# Calculated enthalpy of reaction	Aragonite
+#	Enthalpy of formation:	-288.531 kcal/mol
+        -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001
+#       -Range:  0-300
+
+Arcanite
+        K2SO4  =  + 1.0000 SO4-- + 2.0000 K+
+        log_k           -1.8008
+	-delta_H	23.836	kJ/mol	# Calculated enthalpy of reaction	Arcanite
+#	Enthalpy of formation:	-1437.78 kJ/mol
+        -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001
+#       -Range:  0-300
+
+Arsenolite
+        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
+        log_k           -19.8365
+	-delta_H	84.5449	kJ/mol	# Calculated enthalpy of reaction	Arsenolite
+#	Enthalpy of formation:	-656.619 kJ/mol
+        -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002
+#       -Range:  0-200
+
+Arsenopyrite
+        FeAsS +1.5000 H2O +0.5000 H+  =  + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS-
+        log_k           -14.4453
+	-delta_H	28.0187	kJ/mol	# Calculated enthalpy of reaction	Arsenopyrite
+#	Enthalpy of formation:	-42.079 kJ/mol
+
+Artinite
+        Mg2CO3(OH)2:3H2O +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O
+        log_k           19.6560
+	-delta_H	-130.432	kJ/mol	# Calculated enthalpy of reaction	Artinite
+#	Enthalpy of formation:	-698.043 kcal/mol
+        -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002
+#       -Range:  0-300
+
+As
+       As +1.5000 H2O +0.7500 O2  =  + 1.0000 H+ + 1.0000 H2AsO3-
+        log_k           42.7079
+	-delta_H	-276.937	kJ/mol	# Calculated enthalpy of reaction	As
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002
+#       -Range:  0-300
+
+As2O5
+       As2O5 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO4-
+        log_k           2.1601
+	-delta_H	-36.7345	kJ/mol	# Calculated enthalpy of reaction	As2O5
+#	Enthalpy of formation:	-924.87 kJ/mol
+        -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001
+#       -Range:  0-300
+
+As4O6(cubi)
+       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
+        log_k           -39.7636
+	-delta_H	169.792	kJ/mol	# Calculated enthalpy of reaction	As4O6(cubi)
+#	Enthalpy of formation:	-1313.94 kJ/mol
+        -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001
+#       -Range:  0-300
+
+As4O6(mono)
+       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
+        log_k           -40.0375
+	-delta_H	165.452	kJ/mol	# Calculated enthalpy of reaction	As4O6(mono)
+#	Enthalpy of formation:	-1309.6 kJ/mol
+        -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002
+#       -Range:  0-200
+
+Atacamite
+        Cu4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O
+        log_k           14.2836
+	-delta_H	-132.001	kJ/mol	# Calculated enthalpy of reaction	Atacamite
+#	Enthalpy of formation:	-1654.43 kJ/mol
+        -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002
+#       -Range:  0-200
+
+Au
+       Au +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Au+
+        log_k           -7.0864
+	-delta_H	59.189	kJ/mol	# Calculated enthalpy of reaction	Au
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001
+#       -Range:  0-300
+
+Autunite-H
+        H2(UO2)2(PO4)2  =  + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -25.3372
+	-delta_H	-31.8599	kJ/mol	# Calculated enthalpy of reaction	Autunite-H
+#	Enthalpy of formation:	-4590.3 kJ/mol
+        -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001
+#       -Range:  0-200
+
+Azurite
+        Cu3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++
+        log_k           9.1607
+	-delta_H	-122.298	kJ/mol	# Calculated enthalpy of reaction	Azurite
+#	Enthalpy of formation:	-390.1 kcal/mol
+        -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002
+#       -Range:  0-300
+
+B
+       B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3
+        log_k           109.5654
+	-delta_H	-636.677	kJ/mol	# Calculated enthalpy of reaction	B
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002
+#       -Range:  0-300
+
+B2O3
+       B2O3 +3.0000 H2O  =  + 2.0000 B(OH)3
+        log_k           5.5464
+	-delta_H	-18.0548	kJ/mol	# Calculated enthalpy of reaction	B2O3
+#	Enthalpy of formation:	-1273.5 kJ/mol
+        -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001
+#       -Range:  0-300
+
+Ba
+       Ba +2.0000 H+ +0.5000 O2  =  + 1.0000 Ba++ + 1.0000 H2O
+        log_k           141.2465
+	-delta_H	-817.416	kJ/mol	# Calculated enthalpy of reaction	Ba
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002
+#       -Range:  0-300
+
+Ba(OH)2:8H2O
+       Ba(OH)2:8H2O +2.0000 H+  =  + 1.0000 Ba++ + 10.0000 H2O
+        log_k           24.4911
+	-delta_H	-55.4363	kJ/mol	# Calculated enthalpy of reaction	Ba(OH)2:8H2O
+#	Enthalpy of formation:	-3340.59 kJ/mol
+        -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002
+#       -Range:  0-200
+
+Ba2Si3O8
+       Ba2Si3O8 +4.0000 H+  =  + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2
+        log_k           23.3284
+	-delta_H	-95.3325	kJ/mol	# Calculated enthalpy of reaction	Ba2Si3O8
+#	Enthalpy of formation:	-4184.73 kJ/mol
+        -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006
+#       -Range:  0-300
+
+Ba2SiO4
+       Ba2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O
+        log_k           44.5930
+	-delta_H	-237.206	kJ/mol	# Calculated enthalpy of reaction	Ba2SiO4
+#	Enthalpy of formation:	-2287.46 kJ/mol
+        -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005
+#       -Range:  0-300
+
+Ba2U2O7
+       Ba2U2O7 +6.0000 H+  =  + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O
+        log_k           36.4635
+	-delta_H	-243.057	kJ/mol	# Calculated enthalpy of reaction	Ba2U2O7
+#	Enthalpy of formation:	-3740 kJ/mol
+        -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002
+#       -Range:  0-200
+
+Ba3UO6
+       Ba3UO6 +8.0000 H+  =  + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O
+        log_k           94.3709
+	-delta_H	-564.885	kJ/mol	# Calculated enthalpy of reaction	Ba3UO6
+#	Enthalpy of formation:	-3210.4 kJ/mol
+        -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002
+#       -Range:  0-200
+
+BaBr2
+       BaBr2  =  + 1.0000 Ba++ + 2.0000 Br-
+        log_k           5.6226
+	-delta_H	-23.3887	kJ/mol	# Calculated enthalpy of reaction	BaBr2
+#	Enthalpy of formation:	-757.262 kJ/mol
+        -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001
+#       -Range:  0-300
+
+BaBr2:2H2O
+       BaBr2:2H2O  =  + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O
+        log_k           2.2523
+	-delta_H	13.7736	kJ/mol	# Calculated enthalpy of reaction	BaBr2:2H2O
+#	Enthalpy of formation:	-1366.1 kJ/mol
+        -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001
+#       -Range:  0-200
+
+BaCl2
+       BaCl2  =  + 1.0000 Ba++ + 2.0000 Cl-
+        log_k           2.2707
+	-delta_H	-13.1563	kJ/mol	# Calculated enthalpy of reaction	BaCl2
+#	Enthalpy of formation:	-858.647 kJ/mol
+        -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001
+#       -Range:  0-300
+
+BaCl2:2H2O
+       BaCl2:2H2O  =  + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           0.2459
+	-delta_H	16.558	kJ/mol	# Calculated enthalpy of reaction	BaCl2:2H2O
+#	Enthalpy of formation:	-1460.04 kJ/mol
+        -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001
+#       -Range:  0-300
+
+BaCl2:H2O
+       BaCl2:H2O  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl-
+        log_k           0.8606
+	-delta_H	2.89433	kJ/mol	# Calculated enthalpy of reaction	BaCl2:H2O
+#	Enthalpy of formation:	-1160.54 kJ/mol
+        -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001
+#       -Range:  0-300
+
+BaCrO4
+       BaCrO4  =  + 1.0000 Ba++ + 1.0000 CrO4--
+        log_k           -9.9322
+	-delta_H	25.9115	kJ/mol	# Calculated enthalpy of reaction	BaCrO4
+#	Enthalpy of formation:	-345.293 kcal/mol
+        -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001
+#       -Range:  0-200
+
+BaHPO4
+       BaHPO4  =  + 1.0000 Ba++ + 1.0000 HPO4--
+        log_k           -7.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaHPO4
+#	Enthalpy of formation:	0 kcal/mol
+
+BaI2
+       BaI2  =  + 1.0000 Ba++ + 2.0000 I-
+        log_k           11.0759
+	-delta_H	-46.0408	kJ/mol	# Calculated enthalpy of reaction	BaI2
+#	Enthalpy of formation:	-605.408 kJ/mol
+        -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001
+#       -Range:  0-300
+
+BaMnO4
+       BaMnO4  =  + 1.0000 Ba++ + 1.0000 MnO4--
+        log_k           -10.0900
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaMnO4
+#	Enthalpy of formation:	0 kcal/mol
+
+BaO
+       BaO +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O
+        log_k           47.8036
+	-delta_H	-270.184	kJ/mol	# Calculated enthalpy of reaction	BaO
+#	Enthalpy of formation:	-553.298 kJ/mol
+        -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004
+#       -Range:  0-300
+
+BaS
+       BaS +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HS-
+        log_k           16.2606
+	-delta_H	-92.9004	kJ/mol	# Calculated enthalpy of reaction	BaS
+#	Enthalpy of formation:	-460.852 kJ/mol
+        -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002
+#       -Range:  0-300
+
+BaSeO3
+       BaSeO3  =  + 1.0000 Ba++ + 1.0000 SeO3--
+        log_k           -6.5615
+	-delta_H	-5.5658	kJ/mol	# Calculated enthalpy of reaction	BaSeO3
+#	Enthalpy of formation:	-1041.27 kJ/mol
+        -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001
+#       -Range:  0-200
+
+BaSeO4
+       BaSeO4  =  + 1.0000 Ba++ + 1.0000 SeO4--
+        log_k           -7.4468
+	-delta_H	8.9782	kJ/mol	# Calculated enthalpy of reaction	BaSeO4
+#	Enthalpy of formation:	-1145.77 kJ/mol
+        -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001
+#       -Range:  0-200
+
+BaSiF6
+       BaSiF6 +2.0000 H2O  =  + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F-
+        log_k           -32.1771
+	-delta_H	95.2555	kJ/mol	# Calculated enthalpy of reaction	BaSiF6
+#	Enthalpy of formation:	-2951.01 kJ/mol
+        -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006
+#       -Range:  0-200
+
+BaU2O7
+       BaU2O7 +6.0000 H+  =  + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O
+        log_k           21.9576
+	-delta_H	-195.959	kJ/mol	# Calculated enthalpy of reaction	BaU2O7
+#	Enthalpy of formation:	-3237.2 kJ/mol
+        -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002
+#       -Range:  0-200
+
+BaUO4
+       BaUO4 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O
+        log_k           18.2007
+	-delta_H	-134.521	kJ/mol	# Calculated enthalpy of reaction	BaUO4
+#	Enthalpy of formation:	-1993.8 kJ/mol
+        -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002
+#       -Range:  0-300
+
+BaZrO3
+       BaZrO3 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++
+        log_k           -94.4716
+	-delta_H	505.159	kJ/mol	# Calculated enthalpy of reaction	BaZrO3
+#	Enthalpy of formation:	-578.27 kcal/mol
+        -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002
+#       -Range:  0-200
+
+Baddeleyite
+        ZrO2 +2.0000 H+  =  + 1.0000 Zr(OH)2++
+        log_k           -7.9405
+	-delta_H	9.72007	kJ/mol	# Calculated enthalpy of reaction	Baddeleyite
+#	Enthalpy of formation:	-1100.56 kJ/mol
+        -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001
+#       -Range:  0-300
+
+Barite
+        BaSO4  =  + 1.0000 Ba++ + 1.0000 SO4--
+        log_k           -9.9711
+	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
+#	Enthalpy of formation:	-352.1 kcal/mol
+        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
+#       -Range:  0-300
+
+Barytocalcite
+        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
+        log_k           2.7420
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Barytocalcite
+#	Enthalpy of formation:	0 kcal/mol
+
+Bassanite
+        CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
+        log_k           -3.6615
+	-delta_H	-18.711	kJ/mol	# Calculated enthalpy of reaction	Bassanite
+#	Enthalpy of formation:	-1576.89 kJ/mol
+        -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001
+#       -Range:  0-300
+
+Bassetite
+        Fe(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -17.7240
+	-delta_H	-114.841	kJ/mol	# Calculated enthalpy of reaction	Bassetite
+#	Enthalpy of formation:	-1099.33 kcal/mol
+        -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001
+#       -Range:  0-200
+
+Be
+       Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O
+        log_k           104.2077
+	-delta_H	-662.608	kJ/mol	# Calculated enthalpy of reaction	Be
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002
+#       -Range:  0-300
+
+Be13U
+       Be13U +30.0000 H+ +7.5000 O2  =  + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O
+        log_k           1504.5350
+	-delta_H	-9601.04	kJ/mol	# Calculated enthalpy of reaction	Be13U
+#	Enthalpy of formation:	-163.6 kJ/mol
+        -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003
+#       -Range:  0-300
+
+Beidellite-Ca
+        Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           5.5914
+	-delta_H	-162.403	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Ca
+#	Enthalpy of formation:	-1370.66 kcal/mol
+        -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006
+#       -Range:  0-300
+
+Beidellite-Cs
+        Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+  =  + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           5.1541
+	-delta_H	-149.851	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Cs
+#	Enthalpy of formation:	-1372.59 kcal/mol
+        -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006
+#       -Range:  0-300
+
+Beidellite-H
+        H.33Al2.33Si3.67O10(OH)2 +6.9900 H+  =  + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           4.6335
+	-delta_H	-154.65	kJ/mol	# Calculated enthalpy of reaction	Beidellite-H
+#	Enthalpy of formation:	-1351.1 kcal/mol
+        -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006
+#       -Range:  0-300
+
+Beidellite-K
+        K.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           5.3088
+	-delta_H	-150.834	kJ/mol	# Calculated enthalpy of reaction	Beidellite-K
+#	Enthalpy of formation:	-1371.9 kcal/mol
+        -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006
+#       -Range:  0-300
+
+Beidellite-Mg
+        Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           5.5537
+	-delta_H	-165.455	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Mg
+#	Enthalpy of formation:	-1366.89 kcal/mol
+        -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006
+#       -Range:  0-300
+
+Beidellite-Na
+        Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           5.6473
+	-delta_H	-155.846	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Na
+#	Enthalpy of formation:	-1369.76 kcal/mol
+        -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006
+#       -Range:  0-300
+
+Berlinite
+        AlPO4 +1.0000 H+  =  + 1.0000 Al+++ + 1.0000 HPO4--
+        log_k           -7.2087
+	-delta_H	-96.6313	kJ/mol	# Calculated enthalpy of reaction	Berlinite
+#	Enthalpy of formation:	-1733.85 kJ/mol
+        -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002
+#       -Range:  0-300
+
+Berndtite
+        SnS2  =  + 1.0000 S2-- + 1.0000 Sn++
+        log_k           -34.5393
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Berndtite
+#	Enthalpy of formation:	-36.7 kcal/mol
+        -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001
+#       -Range:  0-300
+
+Bieberite
+        CoSO4:7H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O
+        log_k           -2.5051
+	-delta_H	11.3885	kJ/mol	# Calculated enthalpy of reaction	Bieberite
+#	Enthalpy of formation:	-2980.02 kJ/mol
+        -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002
+#       -Range:  0-300
+
+Birnessite
+        Mn8O14:5H2O +4.0000 H+  =  + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O
+        log_k           -85.5463
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Birnessite
+#	Enthalpy of formation:	0 kcal/mol
+
+Bischofite
+        MgCl2:6H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
+        log_k           4.3923
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bischofite
+#	Enthalpy of formation:	0 kcal/mol
+
+Bixbyite
+        Mn2O3 +6.0000 H+  =  + 2.0000 Mn+++ + 3.0000 H2O
+        log_k           -0.9655
+	-delta_H	-190.545	kJ/mol	# Calculated enthalpy of reaction	Bixbyite
+#	Enthalpy of formation:	-958.971 kJ/mol
+        -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002
+#       -Range:  0-300
+
+Bloedite
+        Na2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O
+        log_k           -2.4777
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bloedite
+#	Enthalpy of formation:	0 kcal/mol
+
+Boehmite
+        AlO2H +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
+        log_k           7.5642
+	-delta_H	-113.282	kJ/mol	# Calculated enthalpy of reaction	Boehmite
+#	Enthalpy of formation:	-238.24 kcal/mol
+        -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002
+#       -Range:  0-300
+
+Boltwoodite
+        K(H3O)(UO2)SiO4 +3.0000 H+  =  + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
+        log_k           14.8857
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite
+#	Enthalpy of formation:	0 kcal/mol
+
+Boltwoodite-Na
+        Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+  =  + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O
+        log_k           14.5834
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite-Na
+#	Enthalpy of formation:	0 kcal/mol
+
+Borax
+        Na2(B4O5(OH)4):8H2O +2.0000 H+  =  + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O
+        log_k           12.0395
+	-delta_H	80.5145	kJ/mol	# Calculated enthalpy of reaction	Borax
+#	Enthalpy of formation:	-6288.44 kJ/mol
+        -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001
+#       -Range:  0-300
+
+Boric_acid
+        B(OH)3  =  + 1.0000 B(OH)3
+        log_k           -0.1583
+	-delta_H	20.2651	kJ/mol	# Calculated enthalpy of reaction	Boric_acid
+#	Enthalpy of formation:	-1094.8 kJ/mol
+        -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001
+#       -Range:  0-300
+
+Bornite
+        Cu5FeS4 +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS-
+        log_k           -102.4369
+	-delta_H	530.113	kJ/mol	# Calculated enthalpy of reaction	Bornite
+#	Enthalpy of formation:	-79.922 kcal/mol
+        -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002
+#       -Range:  0-300
+
+Brezinaite
+        Cr3S4 +4.0000 H+  =  + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS-
+        log_k           2.7883
+	-delta_H	-216.731	kJ/mol	# Calculated enthalpy of reaction	Brezinaite
+#	Enthalpy of formation:	-111.9 kcal/mol
+        -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002
+#       -Range:  0-200
+
+Brochantite
+        Cu4(SO4)(OH)6 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O
+        log_k           15.4363
+	-delta_H	-163.158	kJ/mol	# Calculated enthalpy of reaction	Brochantite
+#	Enthalpy of formation:	-2198.72 kJ/mol
+        -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002
+#       -Range:  0-200
+
+Bromellite
+        BeO +2.0000 H+  =  + 1.0000 Be++ + 1.0000 H2O
+        log_k           1.1309
+	-delta_H	-59.2743	kJ/mol	# Calculated enthalpy of reaction	Bromellite
+#	Enthalpy of formation:	-609.4 kJ/mol
+        -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002
+#       -Range:  0-300
+
+Brucite
+        Mg(OH)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 H2O
+        log_k           16.2980
+	-delta_H	-111.34	kJ/mol	# Calculated enthalpy of reaction	Brucite
+#	Enthalpy of formation:	-221.39 kcal/mol
+        -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002
+#       -Range:  0-300
+
+Brushite
+        CaHPO4:2H2O  =  + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O
+        log_k           6.5500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Brushite
+#	Enthalpy of formation:	0 kcal/mol
+
+Bunsenite
+        NiO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Ni++
+        log_k           12.4719
+	-delta_H	-100.069	kJ/mol	# Calculated enthalpy of reaction	Bunsenite
+#	Enthalpy of formation:	-57.3 kcal/mol
+        -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002
+#       -Range:  0-300
+
+Burkeite
+        Na6CO3(SO4)2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+
+        log_k           9.4866
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Burkeite
+#	Enthalpy of formation:	0 kcal/mol
+
+C
+       C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3-
+        log_k           64.1735
+	-delta_H	-391.961	kJ/mol	# Calculated enthalpy of reaction	C
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002
+#       -Range:  0-300
+
+Ca
+       Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O
+        log_k           139.8465
+	-delta_H	-822.855	kJ/mol	# Calculated enthalpy of reaction	Ca
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005
+#       -Range:  0-300
+
+Ca-Al_Pyroxene
+        CaAl2SiO6 +8.0000 H+  =  + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O
+        log_k           35.9759
+	-delta_H	-361.548	kJ/mol	# Calculated enthalpy of reaction	Ca-Al_Pyroxene
+#	Enthalpy of formation:	-783.793 kcal/mol
+        -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002
+#       -Range:  0-300
+
+Ca2Al2O5:8H2O
+       Ca2Al2O5:8H2O +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O
+        log_k           59.5687
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Al2O5:8H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Ca2Cl2(OH)2:H2O
+       Ca2Cl2(OH)2:H2O +2.0000 H+  =  + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O
+        log_k           26.2901
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Cl2(OH)2:H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Ca2V2O7
+       Ca2V2O7 +1.0000 H2O  =  + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4---
+        log_k           -39.7129
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2V2O7
+#	Enthalpy of formation:	-3083.46 kJ/mol
+
+Ca3(AsO4)2
+       Ca3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Ca++
+        log_k           17.8160
+	-delta_H	-149.956	kJ/mol	# Calculated enthalpy of reaction	Ca3(AsO4)2
+#	Enthalpy of formation:	-3298.41 kJ/mol
+        -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002
+#       -Range:  0-200
+
+Ca3Al2O6
+       Ca3Al2O6 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O
+        log_k           113.0460
+	-delta_H	-833.336	kJ/mol	# Calculated enthalpy of reaction	Ca3Al2O6
+#	Enthalpy of formation:	-857.492 kcal/mol
+        -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002
+#       -Range:  0-200
+
+Ca3V2O8
+       Ca3V2O8  =  + 2.0000 VO4--- + 3.0000 Ca++
+        log_k           -18.3234
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca3V2O8
+#	Enthalpy of formation:	-3778.1 kJ/mol
+
+Ca4Al2Fe2O10
+       Ca4Al2Fe2O10 +20.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O
+        log_k           140.5050
+	-delta_H	-1139.86	kJ/mol	# Calculated enthalpy of reaction	Ca4Al2Fe2O10
+#	Enthalpy of formation:	-1211 kcal/mol
+        -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003
+#       -Range:  0-200
+
+Ca4Al2O7:13H2O
+       Ca4Al2O7:13H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O
+        log_k           107.2537
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:13H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Ca4Al2O7:19H2O
+       Ca4Al2O7:19H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O
+        log_k           103.6812
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:19H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Ca4Cl2(OH)6:13H2O
+       Ca4Cl2(OH)6:13H2O +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O
+        log_k           68.3283
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Cl2(OH)6:13H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+CaAl2O4
+       CaAl2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O
+        log_k           46.9541
+	-delta_H	-436.952	kJ/mol	# Calculated enthalpy of reaction	CaAl2O4
+#	Enthalpy of formation:	-555.996 kcal/mol
+        -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002
+#       -Range:  0-300
+
+CaAl2O4:10H2O
+       CaAl2O4:10H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O
+        log_k           37.9946
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaAl2O4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+CaAl4O7
+       CaAl4O7 +14.0000 H+  =  + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O
+        log_k           68.6138
+	-delta_H	-718.464	kJ/mol	# Calculated enthalpy of reaction	CaAl4O7
+#	Enthalpy of formation:	-951.026 kcal/mol
+        -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002
+#       -Range:  0-200
+
+CaSO4:0.5H2O(beta)
+       CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
+        log_k           -3.4934
+	-delta_H	-20.804	kJ/mol	# Calculated enthalpy of reaction	CaSO4:0.5H2O(beta)
+#	Enthalpy of formation:	-1574.8 kJ/mol
+        -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001
+#       -Range:  0-300
+
+CaSeO3:2H2O
+       CaSeO3:2H2O  =  + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O
+        log_k           -4.6213
+	-delta_H	-14.1963	kJ/mol	# Calculated enthalpy of reaction	CaSeO3:2H2O
+#	Enthalpy of formation:	-384.741 kcal/mol
+        -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001
+#       -Range:  0-200
+
+CaSeO4
+       CaSeO4  =  + 1.0000 Ca++ + 1.0000 SeO4--
+        log_k           -3.0900
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaSeO4
+#	Enthalpy of formation:	0 kcal/mol
+
+CaUO4
+       CaUO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O
+        log_k           15.9420
+	-delta_H	-131.46	kJ/mol	# Calculated enthalpy of reaction	CaUO4
+#	Enthalpy of formation:	-2002.3 kJ/mol
+        -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002
+#       -Range:  0-300
+
+CaV2O6
+       CaV2O6 +2.0000 H2O  =  + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+
+        log_k           -51.3617
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaV2O6
+#	Enthalpy of formation:	-2329.34 kJ/mol
+
+CaZrO3
+       CaZrO3 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++
+        log_k           -148.5015
+	-delta_H	801.282	kJ/mol	# Calculated enthalpy of reaction	CaZrO3
+#	Enthalpy of formation:	-650.345 kcal/mol
+        -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002
+#       -Range:  0-200
+
+Cadmoselite
+        CdSe  =  + 1.0000 Cd++ + 1.0000 Se--
+        log_k           -33.8428
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cadmoselite
+#	Enthalpy of formation:	-34.6 kcal/mol
+        -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001
+#       -Range:  0-300
+
+Calcite
+        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
+        log_k           1.8487
+	-delta_H	-25.7149	kJ/mol	# Calculated enthalpy of reaction	Calcite
+#	Enthalpy of formation:	-288.552 kcal/mol
+        -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001
+#       -Range:  0-300
+
+Calomel
+        Hg2Cl2  =  + 1.0000 Hg2++ + 2.0000 Cl-
+        log_k           -17.8241
+	-delta_H	98.0267	kJ/mol	# Calculated enthalpy of reaction	Calomel
+#	Enthalpy of formation:	-265.37 kJ/mol
+        -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001
+#       -Range:  0-200
+
+Carnallite
+        KMgCl3:6H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O
+        log_k           4.2721
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnallite
+#	Enthalpy of formation:	0 kcal/mol
+
+Carnotite
+        K2(UO2)2(VO4)2  =  + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4---
+        log_k           -56.3811
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnotite
+#	Enthalpy of formation:	-1173.9 kJ/mol
+
+Cassiterite
+        SnO2 +2.0000 H+  =  + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++
+        log_k           -46.1203
+	-delta_H	280.048	kJ/mol	# Calculated enthalpy of reaction	Cassiterite
+#	Enthalpy of formation:	-138.8 kcal/mol
+        -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002
+#       -Range:  0-300
+
+Cattierite
+        CoS2  =  + 1.0000 Co++ + 1.0000 S2--
+        log_k           -29.9067
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cattierite
+#	Enthalpy of formation:	-36.589 kcal/mol
+        -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001
+#       -Range:  0-300
+
+Cd
+       Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O
+        log_k           56.6062
+	-delta_H	-355.669	kJ/mol	# Calculated enthalpy of reaction	Cd
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004
+#       -Range:  0-300
+
+Cd(BO2)2
+       Cd(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Cd++ + 2.0000 B(OH)3
+        log_k           9.8299
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(BO2)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Cd(IO3)2
+       Cd(IO3)2  =  + 1.0000 Cd++ + 2.0000 IO3-
+        log_k           -7.5848
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(IO3)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Cd(OH)2
+       Cd(OH)2 +2.0000 H+  =  + 1.0000 Cd++ + 2.0000 H2O
+        log_k           13.7382
+	-delta_H	-87.0244	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)2
+#	Enthalpy of formation:	-560.55 kJ/mol
+        -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002
+#       -Range:  0-200
+
+Cd(OH)Cl
+       Cd(OH)Cl +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O
+        log_k           3.5435
+	-delta_H	-30.3888	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)Cl
+#	Enthalpy of formation:	-498.427 kJ/mol
+        -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001
+#       -Range:  0-200
+
+Cd3(AsO4)2
+       Cd3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cd++
+        log_k           4.0625
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(AsO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Cd3(PO4)2
+       Cd3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cd++
+        log_k           -7.8943
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Cd3(SO4)(OH)4
+       Cd3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O
+        log_k           22.5735
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)(OH)4
+#	Enthalpy of formation:	0 kcal/mol
+
+Cd3(SO4)2(OH)2
+       Cd3(SO4)2(OH)2 +2.0000 H+  =  + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++
+        log_k           6.7180
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)2(OH)2
+#	Enthalpy of formation:	0 kcal/mol
+
+CdBr2
+       CdBr2  =  + 1.0000 Cd++ + 2.0000 Br-
+        log_k           -1.8470
+	-delta_H	-2.67548	kJ/mol	# Calculated enthalpy of reaction	CdBr2
+#	Enthalpy of formation:	-316.229 kJ/mol
+        -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001
+#       -Range:  0-200
+
+CdBr2:4H2O
+       CdBr2:4H2O  =  + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O
+        log_k           -2.3378
+	-delta_H	30.2812	kJ/mol	# Calculated enthalpy of reaction	CdBr2:4H2O
+#	Enthalpy of formation:	-1492.54 kJ/mol
+        -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001
+#       -Range:  0-200
+
+CdCl2
+       CdCl2  =  + 1.0000 Cd++ + 2.0000 Cl-
+        log_k           -0.6474
+	-delta_H	-18.5391	kJ/mol	# Calculated enthalpy of reaction	CdCl2
+#	Enthalpy of formation:	-391.518 kJ/mol
+        -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000
+#       -Range:  0-200
+
+CdCl2(NH3)2
+       CdCl2(NH3)2  =  + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3
+        log_k           -8.7864
+	-delta_H	63.534	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)2
+#	Enthalpy of formation:	-636.265 kJ/mol
+        -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001
+#       -Range:  0-200
+
+CdCl2(NH3)4
+       CdCl2(NH3)4  =  + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3
+        log_k           -6.8044
+	-delta_H	81.7931	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)4
+#	Enthalpy of formation:	-817.198 kJ/mol
+        -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001
+#       -Range:  0-200
+
+CdCl2(NH3)6
+       CdCl2(NH3)6  =  + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3
+        log_k           -4.7524
+	-delta_H	97.2971	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)6
+#	Enthalpy of formation:	-995.376 kJ/mol
+        -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000
+#       -Range:  0-200
+
+CdCl2:H2O
+       CdCl2:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl-
+        log_k           -1.6747
+	-delta_H	-7.44943	kJ/mol	# Calculated enthalpy of reaction	CdCl2:H2O
+#	Enthalpy of formation:	-688.446 kJ/mol
+        -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000
+#       -Range:  0-200
+
+CdCr2O4
+       CdCr2O4 +8.0000 H+  =  + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O
+        log_k           14.9969
+	-delta_H	-255.676	kJ/mol	# Calculated enthalpy of reaction	CdCr2O4
+#	Enthalpy of formation:	-344.3 kcal/mol
+        -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002
+#       -Range:  0-200
+
+CdF2
+       CdF2  =  + 1.0000 Cd++ + 2.0000 F-
+        log_k           -1.1464
+	-delta_H	-46.064	kJ/mol	# Calculated enthalpy of reaction	CdF2
+#	Enthalpy of formation:	-700.529 kJ/mol
+        -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001
+#       -Range:  0-200
+
+CdI2
+       CdI2  =  + 1.0000 Cd++ + 2.0000 I-
+        log_k           -3.4825
+	-delta_H	13.7164	kJ/mol	# Calculated enthalpy of reaction	CdI2
+#	Enthalpy of formation:	-203.419 kJ/mol
+        -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001
+#       -Range:  0-200
+
+CdS
+       CdS +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HS-
+        log_k           -15.9095
+	-delta_H	70.1448	kJ/mol	# Calculated enthalpy of reaction	CdS
+#	Enthalpy of formation:	-162.151 kJ/mol
+        -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001
+#       -Range:  0-200
+
+CdSO4
+       CdSO4  =  + 1.0000 Cd++ + 1.0000 SO4--
+        log_k           -0.1061
+	-delta_H	-52.1304	kJ/mol	# Calculated enthalpy of reaction	CdSO4
+#	Enthalpy of formation:	-933.369 kJ/mol
+        -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001
+#       -Range:  0-200
+
+CdSO4:2.667H2O
+       CdSO4:2.667H2O  =  + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O
+        log_k           -1.8015
+	-delta_H	-18.5302	kJ/mol	# Calculated enthalpy of reaction	CdSO4:2.667H2O
+#	Enthalpy of formation:	-1729.3 kJ/mol
+        -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001
+#       -Range:  0-200
+
+CdSO4:H2O
+       CdSO4:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4--
+        log_k           -1.6529
+	-delta_H	-31.6537	kJ/mol	# Calculated enthalpy of reaction	CdSO4:H2O
+#	Enthalpy of formation:	-1239.68 kJ/mol
+        -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001
+#       -Range:  0-200
+
+CdSeO3
+       CdSeO3  =  + 1.0000 Cd++ + 1.0000 SeO3--
+        log_k           -8.8086
+	-delta_H	-9.92156	kJ/mol	# Calculated enthalpy of reaction	CdSeO3
+#	Enthalpy of formation:	-575.169 kJ/mol
+        -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001
+#       -Range:  0-200
+
+CdSeO4
+       CdSeO4  =  + 1.0000 Cd++ + 1.0000 SeO4--
+        log_k           -2.2132
+	-delta_H	-41.9836	kJ/mol	# Calculated enthalpy of reaction	CdSeO4
+#	Enthalpy of formation:	-633.063 kJ/mol
+        -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001
+#       -Range:  0-200
+
+CdSiO3
+       CdSiO3 +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2
+        log_k           7.5136
+	-delta_H	-50.3427	kJ/mol	# Calculated enthalpy of reaction	CdSiO3
+#	Enthalpy of formation:	-1189.09 kJ/mol
+        -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001
+#       -Range:  0-200
+
+Ce
+       Ce +3.0000 H+ +0.7500 O2  =  + 1.0000 Ce+++ + 1.5000 H2O
+        log_k           182.9563
+	-delta_H	-1120.06	kJ/mol	# Calculated enthalpy of reaction	Ce
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002
+#       -Range:  0-300
+
+Ce(OH)3
+       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
+        log_k           19.8852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Ce(OH)3(am)
+       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
+        log_k           21.1852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Ce2(CO3)3:8H2O
+       Ce2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O
+        log_k           -4.1136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(CO3)3:8H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Ce2O3
+       Ce2O3 +6.0000 H+  =  + 2.0000 Ce+++ + 3.0000 H2O
+        log_k           62.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+Ce3(PO4)4
+       Ce3(PO4)4 +4.0000 H+  =  + 3.0000 Ce++++ + 4.0000 HPO4--
+        log_k           -40.8127
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(PO4)4
+#	Enthalpy of formation:	0 kcal/mol
+
+CeF3:.5H2O
+       CeF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F-
+        log_k           -18.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+CeO2
+       CeO2 +4.0000 H+  =  + 1.0000 Ce++++ + 2.0000 H2O
+        log_k           -8.1600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeO2
+#	Enthalpy of formation:	0 kcal/mol
+
+CePO4:10H2O
+       CePO4:10H2O +1.0000 H+  =  + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O
+        log_k           -12.2782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Celadonite
+        KMgAlSi4O10(OH)2 +6.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           7.4575
+	-delta_H	-74.3957	kJ/mol	# Calculated enthalpy of reaction	Celadonite
+#	Enthalpy of formation:	-1394.9 kcal/mol
+        -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006
+#       -Range:  0-300
+
+Celestite
+        SrSO4  =  + 1.0000 SO4-- + 1.0000 Sr++
+        log_k           -5.6771
+	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
+#	Enthalpy of formation:	-347.3 kcal/mol
+        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
+#       -Range:  0-300
+
+Cerussite
+        PbCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Pb++
+        log_k           -3.2091
+	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
+#	Enthalpy of formation:	-168 kcal/mol
+        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
+#       -Range:  0-300
+
+Chalcanthite
+        CuSO4:5H2O  =  + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O
+        log_k           -2.6215
+	-delta_H	6.57556	kJ/mol	# Calculated enthalpy of reaction	Chalcanthite
+#	Enthalpy of formation:	-2279.68 kJ/mol
+        -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001
+#       -Range:  0-200
+
+Chalcedony
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.7281
+	-delta_H	31.4093	kJ/mol	# Calculated enthalpy of reaction	Chalcedony
+#	Enthalpy of formation:	-217.282 kcal/mol
+        -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005
+#       -Range:  0-300
+
+Chalcocite
+        Cu2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Cu+
+        log_k           -34.7342
+	-delta_H	206.748	kJ/mol	# Calculated enthalpy of reaction	Chalcocite
+#	Enthalpy of formation:	-19 kcal/mol
+        -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002
+#       -Range:  0-300
+
+Chalcocyanite
+        CuSO4  =  + 1.0000 Cu++ + 1.0000 SO4--
+        log_k           2.9239
+	-delta_H	-72.5128	kJ/mol	# Calculated enthalpy of reaction	Chalcocyanite
+#	Enthalpy of formation:	-771.4 kJ/mol
+        -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001
+#       -Range:  0-200
+
+Chalcopyrite
+        CuFeS2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS-
+        log_k           -32.5638
+	-delta_H	127.206	kJ/mol	# Calculated enthalpy of reaction	Chalcopyrite
+#	Enthalpy of formation:	-44.453 kcal/mol
+        -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001
+#       -Range:  0-300
+
+Chamosite-7A
+        Fe2Al2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O
+        log_k           32.8416
+	-delta_H	-364.213	kJ/mol	# Calculated enthalpy of reaction	Chamosite-7A
+#	Enthalpy of formation:	-902.407 kcal/mol
+        -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002
+#       -Range:  0-300
+
+Chlorargyrite
+        AgCl  =  + 1.0000 Ag+ + 1.0000 Cl-
+        log_k           -9.7453
+	-delta_H	65.739	kJ/mol	# Calculated enthalpy of reaction	Chlorargyrite
+#	Enthalpy of formation:	-30.37 kcal/mol
+        -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001
+#       -Range:  0-300
+
+Chloromagnesite
+        MgCl2  =  + 1.0000 Mg++ + 2.0000 Cl-
+        log_k           21.8604
+	-delta_H	-158.802	kJ/mol	# Calculated enthalpy of reaction	Chloromagnesite
+#	Enthalpy of formation:	-641.317 kJ/mol
+        -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002
+#       -Range:  0-300
+
+Chromite
+        FeCr2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O
+        log_k           15.1685
+	-delta_H	-267.755	kJ/mol	# Calculated enthalpy of reaction	Chromite
+#	Enthalpy of formation:	-1444.83 kJ/mol
+        -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002
+#       -Range:  0-300
+
+Chrysocolla
+        CuSiH4O5 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O
+        log_k           6.2142
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Chrysocolla
+#	Enthalpy of formation:	0 kcal/mol
+
+Chrysotile
+        Mg3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O
+        log_k           31.1254
+	-delta_H	-218.041	kJ/mol	# Calculated enthalpy of reaction	Chrysotile
+#	Enthalpy of formation:	-1043.12 kcal/mol
+        -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005
+#       -Range:  0-300
+
+Cinnabar
+        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
+        log_k           -38.9666
+	-delta_H	207.401	kJ/mol	# Calculated enthalpy of reaction	Cinnabar
+#	Enthalpy of formation:	-12.75 kcal/mol
+        -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002
+#       -Range:  0-300
+
+Claudetite
+        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
+        log_k           -19.7647
+	-delta_H	82.3699	kJ/mol	# Calculated enthalpy of reaction	Claudetite
+#	Enthalpy of formation:	-654.444 kJ/mol
+        -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001
+#       -Range:  0-300
+
+Clausthalite
+        PbSe  =  + 1.0000 Pb++ + 1.0000 Se--
+        log_k           -36.2531
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clausthalite
+#	Enthalpy of formation:	-102.9 kJ/mol
+        -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002
+#       -Range:  0-300
+
+Clinochalcomenite
+        CuSeO3:2H2O  =  + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O
+        log_k           -6.7873
+	-delta_H	-31.6645	kJ/mol	# Calculated enthalpy of reaction	Clinochalcomenite
+#	Enthalpy of formation:	-235.066 kcal/mol
+        -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001
+#       -Range:  0-200
+
+Clinochlore-14A
+        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
+        log_k           67.2391
+	-delta_H	-612.379	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-14A
+#	Enthalpy of formation:	-2116.96 kcal/mol
+        -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002
+#       -Range:  0-300
+
+Clinochlore-7A
+        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
+        log_k           70.6124
+	-delta_H	-628.14	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-7A
+#	Enthalpy of formation:	-2113.2 kcal/mol
+        -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002
+#       -Range:  0-300
+
+Clinoptilolite
+#        Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O
+         Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O 
+        log_k           -9.7861
+	-delta_H	-20.8784	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite
+#	Enthalpy of formation:	-20587.8 kJ/mol
+        -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006
+#       -Range:  0-300
+
+Clinoptilolite-Ca
+        Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -7.0095
+	-delta_H	-74.6745	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Ca
+#	Enthalpy of formation:	-4919.84 kcal/mol
+        -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006
+#       -Range:  0-300
+
+Clinoptilolite-Cs
+        Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -13.0578
+	-delta_H	96.9005	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Cs
+#	Enthalpy of formation:	-4949.65 kcal/mol
+        -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006
+#       -Range:  0-300
+
+Clinoptilolite-K
+        K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -10.9485
+	-delta_H	67.4862	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-K
+#	Enthalpy of formation:	-4937.77 kcal/mol
+        -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006
+#       -Range:  0-300
+
+Clinoptilolite-NH4
+        (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -42.4791
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-NH4
+#	Enthalpy of formation:	0 kcal/mol
+
+Clinoptilolite-Na
+        Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -7.1363
+	-delta_H	2.32824	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Na
+#	Enthalpy of formation:	-4912.36 kcal/mol
+        -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006
+#       -Range:  0-300
+
+Clinoptilolite-Sr
+        Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
+        log_k           -7.1491
+	-delta_H	-66.2129	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Sr
+#	Enthalpy of formation:	-4925.1 kcal/mol
+        -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy
+#        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2
+        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 
+        log_k           25.8490
+	-delta_H	-276.592	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy
+#	Enthalpy of formation:	-17210.2 kJ/mol
+        -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy-Ca
+        Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
+        log_k           28.6255
+	-delta_H	-329.278	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Ca
+#	Enthalpy of formation:	-4112.83 kcal/mol
+        -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy-Cs
+        Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2
+        log_k           22.5771
+	-delta_H	-164.837	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Cs
+#	Enthalpy of formation:	-4140.93 kcal/mol
+        -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy-K
+        K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2
+        log_k           24.6865
+	-delta_H	-191.289	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-K
+#	Enthalpy of formation:	-4129.76 kcal/mol
+        -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy-NH4
+        (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2
+        log_k           -6.8441
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-dehy-NH4
+#	Enthalpy of formation:	0 kcal/mol
+
+Clinoptilolite-dehy-Na
+        Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2
+        log_k           28.4987
+	-delta_H	-253.798	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Na
+#	Enthalpy of formation:	-4104.98 kcal/mol
+        -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006
+#       -Range:  0-300
+
+Clinoptilolite-dehy-Sr
+        Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
+        log_k           28.4859
+	-delta_H	-321.553	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Sr
+#	Enthalpy of formation:	-4117.92 kcal/mol
+        -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006
+#       -Range:  0-300
+
+Clinoptilolite-hy-Ca
+#        Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
+        Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O 
+        log_k           -7.0108
+	-delta_H	-65.4496	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Ca
+#	Enthalpy of formation:	-4971.44 kcal/mol
+        -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006
+#       -Range:  0-300
+
+Clinoptilolite-hy-Cs
+#        Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
+        Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 
+        log_k           -13.0621
+	-delta_H	44.6397	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Cs
+#	Enthalpy of formation:	-4616.61 kcal/mol
+        -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006
+#       -Range:  0-300
+
+Clinoptilolite-hy-K
+#        K3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
+        K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 
+        log_k           -10.9523
+	-delta_H	29.5879	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-K
+#	Enthalpy of formation:	-4694.86 kcal/mol
+        -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006
+#       -Range:  0-300
+
+Clinoptilolite-hy-Na
+#        Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
+        Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O 
+        log_k           -7.1384
+	-delta_H	1.88166	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Na
+#	Enthalpy of formation:	-4909.18 kcal/mol
+        -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006
+#       -Range:  0-300
+
+Clinoptilolite-hy-Sr
+#        Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
+        Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O 
+        log_k           -7.1498
+	-delta_H	-31.6858	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Sr
+#	Enthalpy of formation:	-5136.33 kcal/mol
+        -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006
+#       -Range:  0-300
+
+Clinozoisite
+        Ca2Al3Si3O12(OH) +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
+        log_k           43.2569
+	-delta_H	-457.755	kJ/mol	# Calculated enthalpy of reaction	Clinozoisite
+#	Enthalpy of formation:	-1643.78 kcal/mol
+        -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005
+#       -Range:  0-300
+
+Co
+       Co +2.0000 H+ +0.5000 O2  =  + 1.0000 Co++ + 1.0000 H2O
+        log_k           52.5307
+	-delta_H	-337.929	kJ/mol	# Calculated enthalpy of reaction	Co
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002
+#       -Range:  0-300
+
+Co(NO3)2
+       Co(NO3)2  =  + 1.0000 Co++ + 2.0000 NO3-
+        log_k           8.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(NO3)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Co(OH)2
+       Co(OH)2 +2.0000 H+  =  + 1.0000 Co++ + 2.0000 H2O
+        log_k           12.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Co2SiO4
+       Co2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O
+        log_k           6.6808
+	-delta_H	-88.6924	kJ/mol	# Calculated enthalpy of reaction	Co2SiO4
+#	Enthalpy of formation:	-353.011 kcal/mol
+        -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005
+#       -Range:  0-300
+
+Co3(AsO4)2
+       Co3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++
+        log_k           8.5318
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(AsO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Co3(PO4)2
+       Co3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Co++
+        log_k           -10.0123
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+CoCl2
+       CoCl2  =  + 1.0000 Co++ + 2.0000 Cl-
+        log_k           8.2641
+	-delta_H	-79.5949	kJ/mol	# Calculated enthalpy of reaction	CoCl2
+#	Enthalpy of formation:	-312.722 kJ/mol
+        -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002
+#       -Range:  0-300
+
+CoCl2:2H2O
+       CoCl2:2H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           4.6661
+	-delta_H	-40.7876	kJ/mol	# Calculated enthalpy of reaction	CoCl2:2H2O
+#	Enthalpy of formation:	-923.206 kJ/mol
+        -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001
+#       -Range:  0-200
+
+CoCl2:6H2O
+       CoCl2:6H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O
+        log_k           2.6033
+	-delta_H	8.32709	kJ/mol	# Calculated enthalpy of reaction	CoCl2:6H2O
+#	Enthalpy of formation:	-2115.67 kJ/mol
+        -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001
+#       -Range:  0-200
+
+CoF2
+       CoF2  =  + 1.0000 Co++ + 2.0000 F-
+        log_k           -5.1343
+	-delta_H	-36.6708	kJ/mol	# Calculated enthalpy of reaction	CoF2
+#	Enthalpy of formation:	-692.182 kJ/mol
+        -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002
+#       -Range:  0-300
+
+CoF3
+       CoF3  =  + 1.0000 Co+++ + 3.0000 F-
+        log_k           -4.9558
+	-delta_H	-103.136	kJ/mol	# Calculated enthalpy of reaction	CoF3
+#	Enthalpy of formation:	-193.8 kcal/mol
+        -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002
+#       -Range:  0-300
+
+CoFe2O4
+       CoFe2O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           0.8729
+	-delta_H	-160.674	kJ/mol	# Calculated enthalpy of reaction	CoFe2O4
+#	Enthalpy of formation:	-272.466 kcal/mol
+        -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002
+#       -Range:  0-300
+
+CoHPO4
+       CoHPO4  =  + 1.0000 Co++ + 1.0000 HPO4--
+        log_k           -6.7223
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHPO4
+#	Enthalpy of formation:	0 kcal/mol
+
+CoO
+       CoO +2.0000 H+  =  + 1.0000 Co++ + 1.0000 H2O
+        log_k           13.5553
+	-delta_H	-106.05	kJ/mol	# Calculated enthalpy of reaction	CoO
+#	Enthalpy of formation:	-237.946 kJ/mol
+        -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002
+#       -Range:  0-300
+
+CoS
+       CoS +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HS-
+        log_k           -7.3740
+	-delta_H	10.1755	kJ/mol	# Calculated enthalpy of reaction	CoS
+#	Enthalpy of formation:	-20.182 kcal/mol
+        -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001
+#       -Range:  0-300
+
+CoSO4
+       CoSO4  =  + 1.0000 Co++ + 1.0000 SO4--
+        log_k           2.8996
+	-delta_H	-79.7952	kJ/mol	# Calculated enthalpy of reaction	CoSO4
+#	Enthalpy of formation:	-887.964 kJ/mol
+        -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002
+#       -Range:  0-300
+
+CoSO4.3Co(OH)2
+       CoSO4(Co(OH)2)3 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O
+        log_k           33.2193
+	-delta_H	-379.41	kJ/mol	# Calculated enthalpy of reaction	CoSO4.3Co(OH)2
+#	Enthalpy of formation:	-2477.85 kJ/mol
+        -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002
+#       -Range:  0-200
+
+CoSO4:6H2O
+       CoSO4:6H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O
+        log_k           -2.3512
+	-delta_H	1.08483	kJ/mol	# Calculated enthalpy of reaction	CoSO4:6H2O
+#	Enthalpy of formation:	-2683.87 kJ/mol
+        -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002
+#       -Range:  0-300
+
+CoSO4:H2O
+       CoSO4:H2O  =  + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4--
+        log_k           -1.2111
+	-delta_H	-52.6556	kJ/mol	# Calculated enthalpy of reaction	CoSO4:H2O
+#	Enthalpy of formation:	-287.032 kcal/mol
+        -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001
+#       -Range:  0-200
+
+CoSeO3
+       CoSeO3  =  + 1.0000 Co++ + 1.0000 SeO3--
+        log_k           -7.0800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO3
+#	Enthalpy of formation:	0 kcal/mol
+
+CoWO4
+       CoWO4  =  + 1.0000 Co++ + 1.0000 WO4--
+        log_k           -12.2779
+	-delta_H	13.6231	kJ/mol	# Calculated enthalpy of reaction	CoWO4
+#	Enthalpy of formation:	-274.256 kcal/mol
+        -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001
+#       -Range:  0-200
+
+Coesite
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.1893
+	-delta_H	28.6144	kJ/mol	# Calculated enthalpy of reaction	Coesite
+#	Enthalpy of formation:	-216.614 kcal/mol
+        -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005
+#       -Range:  0-300
+
+Coffinite
+        USiO4 +4.0000 H+  =  + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O
+        log_k           -8.0530
+	-delta_H	-49.2493	kJ/mol	# Calculated enthalpy of reaction	Coffinite
+#	Enthalpy of formation:	-1991.33 kJ/mol
+        -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001
+#       -Range:  0-200
+
+Colemanite
+        Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O  =  + 2.0000 Ca++ + 6.0000 B(OH)3
+        log_k           21.5148
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Colemanite
+#	Enthalpy of formation:	0 kcal/mol
+
+Cordierite_anhyd
+        Mg2Al4Si5O18 +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O
+        log_k           52.3035
+	-delta_H	-626.219	kJ/mol	# Calculated enthalpy of reaction	Cordierite_anhyd
+#	Enthalpy of formation:	-2183.2 kcal/mol
+        -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006
+#       -Range:  0-300
+
+Cordierite_hydr
+        Mg2Al4Si5O18:H2O +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O
+        log_k           49.8235
+	-delta_H	-608.814	kJ/mol	# Calculated enthalpy of reaction	Cordierite_hydr
+#	Enthalpy of formation:	-2255.68 kcal/mol
+        -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006
+#       -Range:  0-300
+
+Corkite
+        PbFe3(PO4)(SO4)(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
+        log_k           -9.7951
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Corkite
+#	Enthalpy of formation:	0 kcal/mol
+
+Corundum
+        Al2O3 +6.0000 H+  =  + 2.0000 Al+++ + 3.0000 H2O
+        log_k           18.3121
+	-delta_H	-258.626	kJ/mol	# Calculated enthalpy of reaction	Corundum
+#	Enthalpy of formation:	-400.5 kcal/mol
+        -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002
+#       -Range:  0-300
+
+Cotunnite
+        PbCl2  =  + 1.0000 Pb++ + 2.0000 Cl-
+        log_k           -4.8406
+	-delta_H	26.1441	kJ/mol	# Calculated enthalpy of reaction	Cotunnite
+#	Enthalpy of formation:	-359.383 kJ/mol
+        -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001
+#       -Range:  0-200
+
+Covellite
+        CuS +1.0000 H+  =  + 1.0000 Cu++ + 1.0000 HS-
+        log_k           -22.8310
+	-delta_H	101.88	kJ/mol	# Calculated enthalpy of reaction	Covellite
+#	Enthalpy of formation:	-12.5 kcal/mol
+        -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001
+#       -Range:  0-300
+
+Cr
+       Cr +3.0000 H+ +0.7500 O2  =  + 1.0000 Cr+++ + 1.5000 H2O
+        log_k           98.6784
+	-delta_H	-658.145	kJ/mol	# Calculated enthalpy of reaction	Cr
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002
+#       -Range:  0-300
+
+CrCl3
+       CrCl3  =  + 1.0000 Cr+++ + 3.0000 Cl-
+        log_k           17.9728
+	-delta_H	-183.227	kJ/mol	# Calculated enthalpy of reaction	CrCl3
+#	Enthalpy of formation:	-556.5 kJ/mol
+        -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002
+#       -Range:  0-300
+
+CrF3
+       CrF3  =  + 1.0000 Cr+++ + 3.0000 F-
+        log_k           -8.5713
+	-delta_H	-85.5293	kJ/mol	# Calculated enthalpy of reaction	CrF3
+#	Enthalpy of formation:	-277.008 kcal/mol
+        -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002
+#       -Range:  0-300
+
+CrF4
+       CrF4 +2.0000 H2O  =  + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+
+        log_k           -12.3132
+	-delta_H	-35.2125	kJ/mol	# Calculated enthalpy of reaction	CrF4
+#	Enthalpy of formation:	-298 kcal/mol
+        -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001
+#       -Range:  0-200
+
+CrI3
+       CrI3  =  + 1.0000 Cr+++ + 3.0000 I-
+        log_k           25.6112
+	-delta_H	-204.179	kJ/mol	# Calculated enthalpy of reaction	CrI3
+#	Enthalpy of formation:	-49 kcal/mol
+        -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+CrO2
+       CrO2  =  + 0.5000 Cr++ + 0.5000 CrO4--
+        log_k           -19.1332
+	-delta_H	85.9812	kJ/mol	# Calculated enthalpy of reaction	CrO2
+#	Enthalpy of formation:	-143 kcal/mol
+        -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001
+#       -Range:  0-200
+
+CrO3
+       CrO3 +1.0000 H2O  =  + 1.0000 CrO4-- + 2.0000 H+
+        log_k           -3.5221
+	-delta_H	-5.78647	kJ/mol	# Calculated enthalpy of reaction	CrO3
+#	Enthalpy of formation:	-140.9 kcal/mol
+        -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001
+#       -Range:  0-300
+
+CrS
+       CrS +1.0000 H+  =  + 1.0000 Cr++ + 1.0000 HS-
+        log_k           -0.6304
+	-delta_H	-26.15	kJ/mol	# Calculated enthalpy of reaction	CrS
+#	Enthalpy of formation:	-31.9 kcal/mol
+        -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001
+#       -Range:  0-300
+
+Cristobalite(alpha)
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.4488
+	-delta_H	29.2043	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(alpha)
+#	Enthalpy of formation:	-216.755 kcal/mol
+        -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005
+#       -Range:  0-300
+
+Cristobalite(beta)
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.0053
+	-delta_H	24.6856	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(beta)
+#	Enthalpy of formation:	-215.675 kcal/mol
+        -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005
+#       -Range:  0-300
+
+Crocoite
+        PbCrO4  =  + 1.0000 CrO4-- + 1.0000 Pb++
+        log_k           -12.7177
+	-delta_H	48.6181	kJ/mol	# Calculated enthalpy of reaction	Crocoite
+#	Enthalpy of formation:	-222 kcal/mol
+        -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001
+#       -Range:  0-200
+
+Cronstedtite-7A
+        Fe2Fe2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O
+        log_k           16.2603
+	-delta_H	-244.266	kJ/mol	# Calculated enthalpy of reaction	Cronstedtite-7A
+#	Enthalpy of formation:	-697.413 kcal/mol
+        -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002
+#       -Range:  0-300
+
+Cs
+       Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+
+        log_k           72.5987
+	-delta_H	-397.913	kJ/mol	# Calculated enthalpy of reaction	Cs
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002
+#       -Range:  0-300
+
+Cs2NaAmCl6
+       Cs2NaAmCl6  =  + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl-
+        log_k           11.7089
+	-delta_H	-59.7323	kJ/mol	# Calculated enthalpy of reaction	Cs2NaAmCl6
+#	Enthalpy of formation:	-2315.8 kJ/mol
+        -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001
+#       -Range:  0-200
+
+Cs2U2O7
+       Cs2U2O7 +6.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O
+        log_k           31.0263
+	-delta_H	-191.57	kJ/mol	# Calculated enthalpy of reaction	Cs2U2O7
+#	Enthalpy of formation:	-3220 kJ/mol
+        -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005
+#       -Range:  0-300
+
+Cs2U4O12
+       Cs2U4O12 +8.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O
+        log_k           18.9460
+	-delta_H	-175.862	kJ/mol	# Calculated enthalpy of reaction	Cs2U4O12
+#	Enthalpy of formation:	-5571.8 kJ/mol
+        -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004
+#       -Range:  0-300
+
+Cs2UO4
+       Cs2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O
+        log_k           35.8930
+	-delta_H	-178.731	kJ/mol	# Calculated enthalpy of reaction	Cs2UO4
+#	Enthalpy of formation:	-1928 kJ/mol
+        -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002
+#       -Range:  0-300
+
+Cu
+       Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O
+        log_k           31.5118
+	-delta_H	-214.083	kJ/mol	# Calculated enthalpy of reaction	Cu
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002
+#       -Range:  0-300
+
+Cu3(PO4)2
+       Cu3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++
+        log_k           -12.2247
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Cu3(PO4)2:3H2O
+       Cu3(PO4)2:3H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O
+        log_k           -10.4763
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2:3H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+CuCl2
+       CuCl2  =  + 1.0000 Cu++ + 2.0000 Cl-
+        log_k           3.7308
+	-delta_H	-48.5965	kJ/mol	# Calculated enthalpy of reaction	CuCl2
+#	Enthalpy of formation:	-219.874 kJ/mol
+        -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001
+#       -Range:  0-200
+
+CuCr2O4
+       CuCr2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O
+        log_k           16.2174
+	-delta_H	-268.768	kJ/mol	# Calculated enthalpy of reaction	CuCr2O4
+#	Enthalpy of formation:	-307.331 kcal/mol
+        -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002
+#       -Range:  0-200
+
+CuF
+       CuF  =  + 1.0000 Cu+ + 1.0000 F-
+        log_k           7.0800
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF
+#	Enthalpy of formation:	0 kcal/mol
+
+CuF2
+       CuF2  =  + 1.0000 Cu++ + 2.0000 F-
+        log_k           -0.6200
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2
+#	Enthalpy of formation:	0 kcal/mol
+
+CuF2:2H2O
+       CuF2:2H2O  =  + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O
+        log_k           -4.5500
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2:2H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+CuSeO3
+       CuSeO3  =  + 1.0000 Cu++ + 1.0000 SeO3--
+        log_k           -7.6767
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSeO3
+#	Enthalpy of formation:	0 kcal/mol
+
+Cuprite
+        Cu2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Cu+
+        log_k           -1.9031
+	-delta_H	28.355	kJ/mol	# Calculated enthalpy of reaction	Cuprite
+#	Enthalpy of formation:	-40.83 kcal/mol
+        -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001
+#       -Range:  0-300
+
+Daphnite-14A
+        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
+        log_k           52.2821
+	-delta_H	-517.561	kJ/mol	# Calculated enthalpy of reaction	Daphnite-14A
+#	Enthalpy of formation:	-1693.04 kcal/mol
+        -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002
+#       -Range:  0-300
+
+Daphnite-7A
+        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
+        log_k           55.6554
+	-delta_H	-532.326	kJ/mol	# Calculated enthalpy of reaction	Daphnite-7A
+#	Enthalpy of formation:	-1689.51 kcal/mol
+        -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002
+#       -Range:  0-300
+
+Dawsonite
+        NaAlCO3(OH)2 +3.0000 H+  =  + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O
+        log_k           4.3464
+	-delta_H	-76.3549	kJ/mol	# Calculated enthalpy of reaction	Dawsonite
+#	Enthalpy of formation:	-1963.96 kJ/mol
+        -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002
+#       -Range:  0-200
+
+Delafossite
+        CuFeO2 +4.0000 H+  =  + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O
+        log_k           -6.4172
+	-delta_H	-18.6104	kJ/mol	# Calculated enthalpy of reaction	Delafossite
+#	Enthalpy of formation:	-126.904 kcal/mol
+        -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001
+#       -Range:  0-300
+
+Diaspore
+        AlHO2 +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
+        log_k           7.1603
+	-delta_H	-110.42	kJ/mol	# Calculated enthalpy of reaction	Diaspore
+#	Enthalpy of formation:	-238.924 kcal/mol
+        -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002
+#       -Range:  0-300
+
+Dicalcium_silicate
+        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
+        log_k           37.1725
+	-delta_H	-217.642	kJ/mol	# Calculated enthalpy of reaction	Dicalcium_silicate
+#	Enthalpy of formation:	-2317.9 kJ/mol
+        -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005
+#       -Range:  0-300
+
+Diopside
+        CaMgSi2O6 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2
+        log_k           20.9643
+	-delta_H	-133.775	kJ/mol	# Calculated enthalpy of reaction	Diopside
+#	Enthalpy of formation:	-765.378 kcal/mol
+        -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005
+#       -Range:  0-300
+
+Dioptase
+        CuSiO2(OH)2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O
+        log_k           6.0773
+	-delta_H	-25.2205	kJ/mol	# Calculated enthalpy of reaction	Dioptase
+#	Enthalpy of formation:	-1358.47 kJ/mol
+        -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001
+#       -Range:  0-200
+
+Dolomite
+        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
+        log_k           2.5135
+	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite
+#	Enthalpy of formation:	-556.631 kcal/mol
+        -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002
+#       -Range:  0-300
+
+Dolomite-dis
+        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
+        log_k           4.0579
+	-delta_H	-72.2117	kJ/mol	# Calculated enthalpy of reaction	Dolomite-dis
+#	Enthalpy of formation:	-553.704 kcal/mol
+        -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002
+#       -Range:  0-300
+
+Dolomite-ord
+        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
+        log_k           2.5135
+	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite-ord
+#	Enthalpy of formation:	-556.631 kcal/mol
+        -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002
+#       -Range:  0-300
+
+Downeyite
+        SeO2 +1.0000 H2O  =  + 1.0000 SeO3-- + 2.0000 H+
+        log_k           -6.7503
+	-delta_H	1.74473	kJ/mol	# Calculated enthalpy of reaction	Downeyite
+#	Enthalpy of formation:	-53.8 kcal/mol
+        -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001
+#       -Range:  0-300
+
+Dy
+       Dy +3.0000 H+ +0.7500 O2  =  + 1.0000 Dy+++ + 1.5000 H2O
+        log_k           180.8306
+	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Dy
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002
+#       -Range:  0-300
+
+Dy(OH)3
+       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
+        log_k           15.8852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Dy(OH)3(am)
+       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
+        log_k           17.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Dy2(CO3)3
+       Dy2(CO3)3 +3.0000 H+  =  + 2.0000 Dy+++ + 3.0000 HCO3-
+        log_k           -3.0136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Dy2O3
+       Dy2O3 +6.0000 H+  =  + 2.0000 Dy+++ + 3.0000 H2O
+        log_k           47.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+DyF3:.5H2O
+       DyF3:.5H2O  =  + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F-
+        log_k           -16.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+DyPO4:10H2O
+       DyPO4:10H2O +1.0000 H+  =  + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O
+        log_k           -11.9782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Enstatite
+        MgSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2
+        log_k           11.3269
+	-delta_H	-82.7302	kJ/mol	# Calculated enthalpy of reaction	Enstatite
+#	Enthalpy of formation:	-369.686 kcal/mol
+        -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005
+#       -Range:  0-300
+
+Epidote
+        Ca2FeAl2Si3O12OH +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
+        log_k           32.9296
+	-delta_H	-386.451	kJ/mol	# Calculated enthalpy of reaction	Epidote
+#	Enthalpy of formation:	-1543.99 kcal/mol
+        -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005
+#       -Range:  0-300
+
+Epidote-ord
+        FeCa2Al2(OH)(SiO4)3 +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
+        log_k           32.9296
+	-delta_H	-386.351	kJ/mol	# Calculated enthalpy of reaction	Epidote-ord
+#	Enthalpy of formation:	-1544.02 kcal/mol
+        -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002
+#       -Range:  0-300
+
+Epsomite
+        MgSO4:7H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O
+        log_k           -1.9623
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Epsomite
+#	Enthalpy of formation:	0 kcal/mol
+
+Er
+       Er +3.0000 H+ +0.7500 O2  =  + 1.0000 Er+++ + 1.5000 H2O
+        log_k           181.7102
+	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Er
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005
+#       -Range:  0-300
+
+Er(OH)3
+       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
+        log_k           14.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Er(OH)3(am)
+       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
+        log_k           18.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Er2(CO3)3
+       Er2(CO3)3 +3.0000 H+  =  + 2.0000 Er+++ + 3.0000 HCO3-
+        log_k           -2.6136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Er2O3
+       Er2O3 +6.0000 H+  =  + 2.0000 Er+++ + 3.0000 H2O
+        log_k           42.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+ErF3:.5H2O
+       ErF3:.5H2O  =  + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F-
+        log_k           -16.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+ErPO4:10H2O
+       ErPO4:10H2O +1.0000 H+  =  + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O
+        log_k           -11.8782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Erythrite
+        Co3(AsO4)2:8H2O +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O
+        log_k           6.3930
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Erythrite
+#	Enthalpy of formation:	0 kcal/mol
+
+Eskolaite
+        Cr2O3 +2.0000 H2O +1.5000 O2  =  + 2.0000 CrO4-- + 4.0000 H+
+        log_k           -9.1306
+	-delta_H	-32.6877	kJ/mol	# Calculated enthalpy of reaction	Eskolaite
+#	Enthalpy of formation:	-1139.74 kJ/mol
+        -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001
+#       -Range:  0-300
+
+Ettringite
+        Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O
+        log_k           62.5362
+	-delta_H	-382.451	kJ/mol	# Calculated enthalpy of reaction	Ettringite
+#	Enthalpy of formation:	-4193 kcal/mol
+        -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003
+#       -Range:  0-200
+
+Eu
+       Eu +3.0000 H+ +0.7500 O2  =  + 1.0000 Eu+++ + 1.5000 H2O
+        log_k           165.1443
+	-delta_H	-1025.08	kJ/mol	# Calculated enthalpy of reaction	Eu
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002
+#       -Range:  0-300
+
+Eu(IO3)3:2H2O
+       Eu(IO3)3:2H2O  =  + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3-
+        log_k           -11.6999
+	-delta_H	20.8847	kJ/mol	# Calculated enthalpy of reaction	Eu(IO3)3:2H2O
+#	Enthalpy of formation:	-1861.99 kJ/mol
+        -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001
+#       -Range:  0-200
+
+Eu(NO3)3:6H2O
+       Eu(NO3)3:6H2O  =  + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O
+        log_k           1.3082
+	-delta_H	15.2254	kJ/mol	# Calculated enthalpy of reaction	Eu(NO3)3:6H2O
+#	Enthalpy of formation:	-2956.11 kJ/mol
+        -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001
+#       -Range:  0-200
+
+Eu(OH)2.5Cl.5
+       Eu(OH)2.5Cl.5 +2.5000 H+  =  + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O
+        log_k           12.5546
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2.5Cl.5
+#	Enthalpy of formation:	0 kcal/mol
+
+Eu(OH)2Cl
+       Eu(OH)2Cl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O
+        log_k           8.7974
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2Cl
+#	Enthalpy of formation:	0 kcal/mol
+
+Eu(OH)3
+       Eu(OH)3 +3.0000 H+  =  + 1.0000 Eu+++ + 3.0000 H2O
+        log_k           15.3482
+	-delta_H	-126.897	kJ/mol	# Calculated enthalpy of reaction	Eu(OH)3
+#	Enthalpy of formation:	-1336.04 kJ/mol
+        -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002
+#       -Range:  0-200
+
+Eu2(CO3)3:3H2O
+       Eu2(CO3)3:3H2O +3.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3-
+        log_k           -5.8707
+	-delta_H	-137.512	kJ/mol	# Calculated enthalpy of reaction	Eu2(CO3)3:3H2O
+#	Enthalpy of formation:	-4000.65 kJ/mol
+        -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002
+#       -Range:  0-200
+
+Eu2(SO4)3:8H2O
+       Eu2(SO4)3:8H2O  =  + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O
+        log_k           -10.8524
+	-delta_H	-86.59	kJ/mol	# Calculated enthalpy of reaction	Eu2(SO4)3:8H2O
+#	Enthalpy of formation:	-6139.77 kJ/mol
+        -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001
+#       -Range:  0-200
+
+Eu2O3(cubic)
+       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
+        log_k           51.7818
+	-delta_H	-406.403	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(cubic)
+#	Enthalpy of formation:	-1661.96 kJ/mol
+        -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002
+#       -Range:  0-200
+
+Eu2O3(monoclinic)
+       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
+        log_k           53.3936
+	-delta_H	-417.481	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(monoclinic)
+#	Enthalpy of formation:	-1650.88 kJ/mol
+        -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002
+#       -Range:  0-200
+
+Eu3O4
+       Eu3O4 +8.0000 H+  =  + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O
+        log_k           87.0369
+	-delta_H	-611.249	kJ/mol	# Calculated enthalpy of reaction	Eu3O4
+#	Enthalpy of formation:	-2270.56 kJ/mol
+        -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002
+#       -Range:  0-200
+
+EuBr3
+       EuBr3  =  + 1.0000 Eu+++ + 3.0000 Br-
+        log_k           29.8934
+	-delta_H	-217.166	kJ/mol	# Calculated enthalpy of reaction	EuBr3
+#	Enthalpy of formation:	-752.769 kJ/mol
+        -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002
+#       -Range:  0-200
+
+EuCl2
+       EuCl2  =  + 1.0000 Eu++ + 2.0000 Cl-
+        log_k           5.9230
+	-delta_H	-39.2617	kJ/mol	# Calculated enthalpy of reaction	EuCl2
+#	Enthalpy of formation:	-822.5 kJ/mol
+        -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001
+#       -Range:  0-200
+
+EuCl3
+       EuCl3  =  + 1.0000 Eu+++ + 3.0000 Cl-
+        log_k           19.7149
+	-delta_H	-170.861	kJ/mol	# Calculated enthalpy of reaction	EuCl3
+#	Enthalpy of formation:	-935.803 kJ/mol
+        -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001
+#       -Range:  0-200
+
+EuCl3:6H2O
+       EuCl3:6H2O  =  + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O
+        log_k           4.9090
+	-delta_H	-40.0288	kJ/mol	# Calculated enthalpy of reaction	EuCl3:6H2O
+#	Enthalpy of formation:	-2781.66 kJ/mol
+        -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001
+#       -Range:  0-200
+
+EuF3:0.5H2O
+       EuF3:0.5H2O  =  + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F-
+        log_k           -16.4847
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuF3:0.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+EuO
+       EuO +2.0000 H+  =  + 1.0000 Eu++ + 1.0000 H2O
+        log_k           37.4800
+	-delta_H	-221.196	kJ/mol	# Calculated enthalpy of reaction	EuO
+#	Enthalpy of formation:	-592.245 kJ/mol
+        -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002
+#       -Range:  0-300
+
+EuOCl
+       EuOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O
+        log_k           15.6683
+	-delta_H	-147.173	kJ/mol	# Calculated enthalpy of reaction	EuOCl
+#	Enthalpy of formation:	-911.17 kJ/mol
+        -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002
+#       -Range:  0-200
+
+EuOHCO3
+       EuOHCO3 +2.0000 H+  =  + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3-
+        log_k           2.5239
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
+#	Enthalpy of formation:	0 kcal/mol
+
+EuPO4:10H2O
+       EuPO4:10H2O +1.0000 H+  =  + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O
+        log_k           -12.0782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+EuS
+       EuS +1.0000 H+  =  + 1.0000 Eu++ + 1.0000 HS-
+        log_k           14.9068
+	-delta_H	-96.4088	kJ/mol	# Calculated enthalpy of reaction	EuS
+#	Enthalpy of formation:	-447.302 kJ/mol
+        -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001
+#       -Range:  0-200
+
+EuSO4
+       EuSO4  =  + 1.0000 Eu++ + 1.0000 SO4--
+        log_k           -8.8449
+	-delta_H	33.873	kJ/mol	# Calculated enthalpy of reaction	EuSO4
+#	Enthalpy of formation:	-1471.08 kJ/mol
+        -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001
+#       -Range:  0-200
+
+Eucryptite
+        LiAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O
+        log_k           13.6106
+	-delta_H	-141.818	kJ/mol	# Calculated enthalpy of reaction	Eucryptite
+#	Enthalpy of formation:	-2124.41 kJ/mol
+        -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002
+#       -Range:  0-300
+
+Fayalite
+        Fe2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O
+        log_k           19.1113
+	-delta_H	-152.256	kJ/mol	# Calculated enthalpy of reaction	Fayalite
+#	Enthalpy of formation:	-354.119 kcal/mol
+        -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004
+#       -Range:  0-300
+
+Fe
+       Fe +2.0000 H+ +0.5000 O2  =  + 1.0000 Fe++ + 1.0000 H2O
+        log_k           59.0325
+	-delta_H	-372.029	kJ/mol	# Calculated enthalpy of reaction	Fe
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002
+#       -Range:  0-300
+
+Fe(OH)2
+       Fe(OH)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 H2O
+        log_k           13.9045
+	-delta_H	-95.4089	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)2
+#	Enthalpy of formation:	-568.525 kJ/mol
+        -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002
+#       -Range:  0-300
+
+Fe(OH)3
+       Fe(OH)3 +3.0000 H+  =  + 1.0000 Fe+++ + 3.0000 H2O
+        log_k           5.6556
+	-delta_H	-84.0824	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)3
+#	Enthalpy of formation:	-823.013 kJ/mol
+        -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002
+#       -Range:  0-300
+
+Fe2(SO4)3
+       Fe2(SO4)3  =  + 2.0000 Fe+++ + 3.0000 SO4--
+        log_k           3.2058
+	-delta_H	-250.806	kJ/mol	# Calculated enthalpy of reaction	Fe2(SO4)3
+#	Enthalpy of formation:	-2577.16 kJ/mol
+        -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002
+#       -Range:  0-300
+
+FeF2
+       FeF2  =  + 1.0000 Fe++ + 2.0000 F-
+        log_k           -2.3817
+	-delta_H	-51.6924	kJ/mol	# Calculated enthalpy of reaction	FeF2
+#	Enthalpy of formation:	-711.26 kJ/mol
+        -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002
+#       -Range:  0-300
+
+FeF3
+       FeF3  =  + 1.0000 Fe+++ + 3.0000 F-
+        log_k           -19.2388
+	-delta_H	-13.8072	kJ/mol	# Calculated enthalpy of reaction	FeF3
+#	Enthalpy of formation:	-249 kcal/mol
+        -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001
+#       -Range:  0-200
+
+FeO
+       FeO +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O
+        log_k           13.5318
+	-delta_H	-106.052	kJ/mol	# Calculated enthalpy of reaction	FeO
+#	Enthalpy of formation:	-65.02 kcal/mol
+        -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002
+#       -Range:  0-300
+
+FeSO4
+       FeSO4  =  + 1.0000 Fe++ + 1.0000 SO4--
+        log_k           2.6565
+	-delta_H	-73.0878	kJ/mol	# Calculated enthalpy of reaction	FeSO4
+#	Enthalpy of formation:	-928.771 kJ/mol
+        -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002
+#       -Range:  0-300
+
+FeV2O4
+       FeV2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O
+        log_k           280.5528
+	-delta_H	-1733.42	kJ/mol	# Calculated enthalpy of reaction	FeV2O4
+#	Enthalpy of formation:	-5.8 kcal/mol
+        -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003
+#       -Range:  0-200
+
+Ferrite-Ca
+        CaFe2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           21.5217
+	-delta_H	-264.738	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Ca
+#	Enthalpy of formation:	-363.494 kcal/mol
+        -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002
+#       -Range:  0-300
+
+Ferrite-Cu
+        CuFe2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           10.3160
+	-delta_H	-211.647	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Cu
+#	Enthalpy of formation:	-965.178 kJ/mol
+        -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002
+#       -Range:  0-300
+
+Ferrite-Dicalcium
+        Ca2Fe2O5 +10.0000 H+  =  + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O
+        log_k           56.8331
+	-delta_H	-475.261	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Dicalcium
+#	Enthalpy of formation:	-2139.26 kJ/mol
+        -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002
+#       -Range:  0-300
+
+Ferrite-Mg
+        MgFe2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           21.0551
+	-delta_H	-280.056	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Mg
+#	Enthalpy of formation:	-1428.42 kJ/mol
+        -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002
+#       -Range:  0-300
+
+Ferrite-Zn
+        ZnFe2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           11.7342
+	-delta_H	-226.609	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Zn
+#	Enthalpy of formation:	-1169.29 kJ/mol
+        -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002
+#       -Range:  0-300
+
+Ferroselite
+        FeSe2 +0.5000 H2O  =  + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se--
+        log_k           -80.7998
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ferroselite
+#	Enthalpy of formation:	-25 kcal/mol
+        -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002
+#       -Range:  0-300
+
+Ferrosilite
+        FeSiO3 +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2
+        log_k           7.4471
+	-delta_H	-60.6011	kJ/mol	# Calculated enthalpy of reaction	Ferrosilite
+#	Enthalpy of formation:	-285.658 kcal/mol
+        -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005
+#       -Range:  0-300
+
+Fluorapatite
+        Ca5(PO4)3F +3.0000 H+  =  + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++
+        log_k           -24.9940
+	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
+#	Enthalpy of formation:	-6836.12 kJ/mol
+        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
+#       -Range:  0-300
+
+Fluorite
+        CaF2  =  + 1.0000 Ca++ + 2.0000 F-
+        log_k           -10.0370
+	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
+#	Enthalpy of formation:	-293 kcal/mol
+        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
+#       -Range:  0-300
+
+Forsterite
+        Mg2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++
+        log_k           27.8626
+	-delta_H	-205.614	kJ/mol	# Calculated enthalpy of reaction	Forsterite
+#	Enthalpy of formation:	-520 kcal/mol
+        -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005
+#       -Range:  0-300
+
+Foshagite
+        Ca4Si3O9(OH)2:0.5H2O +8.0000 H+  =  + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O
+        log_k           65.9210
+	-delta_H	-359.839	kJ/mol	# Calculated enthalpy of reaction	Foshagite
+#	Enthalpy of formation:	-1438.27 kcal/mol
+        -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005
+#       -Range:  0-300
+
+Frankdicksonite
+        BaF2  =  + 1.0000 Ba++ + 2.0000 F-
+        log_k           -5.7600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Frankdicksonite
+#	Enthalpy of formation:	0 kcal/mol
+
+Freboldite
+        CoSe  =  + 1.0000 Co++ + 1.0000 Se--
+        log_k           -24.3358
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Freboldite
+#	Enthalpy of formation:	-15.295 kcal/mol
+        -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001
+#       -Range:  0-200
+
+Ga
+       Ga +3.0000 H+ +0.7500 O2  =  + 1.0000 Ga+++ + 1.5000 H2O
+        log_k           92.3567
+	-delta_H	-631.368	kJ/mol	# Calculated enthalpy of reaction	Ga
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004
+#       -Range:  0-300
+
+Galena
+        PbS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Pb++
+        log_k           -14.8544
+	-delta_H	83.1361	kJ/mol	# Calculated enthalpy of reaction	Galena
+#	Enthalpy of formation:	-23.5 kcal/mol
+        -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001
+#       -Range:  0-300
+
+Gaylussite
+        CaNa2(CO3)2:5H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O
+        log_k           11.1641
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gaylussite
+#	Enthalpy of formation:	0 kcal/mol
+
+Gd
+       Gd +3.0000 H+ +0.7500 O2  =  + 1.0000 Gd+++ + 1.5000 H2O
+        log_k           180.7573
+	-delta_H	-1106.67	kJ/mol	# Calculated enthalpy of reaction	Gd
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005
+#       -Range:  0-300
+
+Gd(OH)3
+       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
+        log_k           15.5852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Gd(OH)3(am)
+       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
+        log_k           17.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Gd2(CO3)3
+       Gd2(CO3)3 +3.0000 H+  =  + 2.0000 Gd+++ + 3.0000 HCO3-
+        log_k           -3.7136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Gd2O3
+       Gd2O3 +6.0000 H+  =  + 2.0000 Gd+++ + 3.0000 H2O
+        log_k           53.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+GdF3:.5H2O
+       GdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F-
+        log_k           -16.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+GdPO4:10H2O
+       GdPO4:10H2O +1.0000 H+  =  + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O
+        log_k           -11.9782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Gehlenite
+        Ca2Al2SiO7 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O
+        log_k           56.2997
+	-delta_H	-489.934	kJ/mol	# Calculated enthalpy of reaction	Gehlenite
+#	Enthalpy of formation:	-951.225 kcal/mol
+        -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002
+#       -Range:  0-300
+
+Gibbsite
+        Al(OH)3 +3.0000 H+  =  + 1.0000 Al+++ + 3.0000 H2O
+        log_k           7.7560
+	-delta_H	-102.788	kJ/mol	# Calculated enthalpy of reaction	Gibbsite
+#	Enthalpy of formation:	-309.065 kcal/mol
+        -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002
+#       -Range:  0-300
+
+Gismondine
+        Ca2Al4Si4O16:9H2O +16.0000 H+  =  + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O
+        log_k           41.7170
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gismondine
+#	Enthalpy of formation:	0 kcal/mol
+
+Glauberite
+        Na2Ca(SO4)2  =  + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4--
+        log_k           -5.4690
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Glauberite
+#	Enthalpy of formation:	0 kcal/mol
+
+Goethite
+        FeOOH +3.0000 H+  =  + 1.0000 Fe+++ + 2.0000 H2O
+        log_k           0.5345
+	-delta_H	-61.9291	kJ/mol	# Calculated enthalpy of reaction	Goethite
+#	Enthalpy of formation:	-559.328 kJ/mol
+        -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001
+#       -Range:  0-200
+
+Greenalite
+        Fe3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O
+        log_k           22.6701
+	-delta_H	-165.297	kJ/mol	# Calculated enthalpy of reaction	Greenalite
+#	Enthalpy of formation:	-787.778 kcal/mol
+        -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005
+#       -Range:  0-300
+
+Grossular
+        Ca3Al2(SiO4)3 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           51.9228
+	-delta_H	-432.006	kJ/mol	# Calculated enthalpy of reaction	Grossular
+#	Enthalpy of formation:	-1582.74 kcal/mol
+        -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005
+#       -Range:  0-300
+
+Gypsum
+        CaSO4:2H2O  =  + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O
+        log_k           -4.4823
+	-delta_H	-1.66746	kJ/mol	# Calculated enthalpy of reaction	Gypsum
+#	Enthalpy of formation:	-2022.69 kJ/mol
+        -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001
+#       -Range:  0-300
+
+Gyrolite
+        Ca2Si3O7(OH)2:1.5H2O +4.0000 H+  =  + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O
+        log_k           22.9099
+	-delta_H	-82.862	kJ/mol	# Calculated enthalpy of reaction	Gyrolite
+#	Enthalpy of formation:	-1176.55 kcal/mol
+        -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006
+#       -Range:  0-300
+
+HTcO4
+       HTcO4  =  + 1.0000 H+ + 1.0000 TcO4-
+        log_k           5.9566
+	-delta_H	-12.324	kJ/mol	# Calculated enthalpy of reaction	HTcO4
+#	Enthalpy of formation:	-703.945 kJ/mol
+        -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001
+#       -Range:  0-200
+
+Haiweeite
+        Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O
+        log_k           -7.0413
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Haiweeite
+#	Enthalpy of formation:	0 kcal/mol
+
+Halite
+        NaCl  =  + 1.0000 Cl- + 1.0000 Na+
+        log_k           1.5855
+	-delta_H	3.7405	kJ/mol	# Calculated enthalpy of reaction	Halite
+#	Enthalpy of formation:	-98.26 kcal/mol
+        -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001
+#       -Range:  0-300
+
+Hatrurite
+        Ca3SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
+        log_k           73.4056
+	-delta_H	-434.684	kJ/mol	# Calculated enthalpy of reaction	Hatrurite
+#	Enthalpy of formation:	-700.234 kcal/mol
+        -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004
+#       -Range:  0-300
+
+Hausmannite
+        Mn3O4 +8.0000 H+  =  + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O
+        log_k           10.1598
+	-delta_H	-268.121	kJ/mol	# Calculated enthalpy of reaction	Hausmannite
+#	Enthalpy of formation:	-1387.83 kJ/mol
+        -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002
+#       -Range:  0-300
+
+Heazlewoodite
+        Ni3S2 +4.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++
+        log_k           28.2477
+	-delta_H	-270.897	kJ/mol	# Calculated enthalpy of reaction	Heazlewoodite
+#	Enthalpy of formation:	-203.012 kJ/mol
+        -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002
+#       -Range:  0-300
+
+Hedenbergite
+        CaFe(SiO3)2 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2
+        log_k           19.6060
+	-delta_H	-124.507	kJ/mol	# Calculated enthalpy of reaction	Hedenbergite
+#	Enthalpy of formation:	-678.276 kcal/mol
+        -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005
+#       -Range:  0-300
+
+Hematite
+        Fe2O3 +6.0000 H+  =  + 2.0000 Fe+++ + 3.0000 H2O
+        log_k           0.1086
+	-delta_H	-129.415	kJ/mol	# Calculated enthalpy of reaction	Hematite
+#	Enthalpy of formation:	-197.72 kcal/mol
+        -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002
+#       -Range:  0-300
+
+Hercynite
+        FeAl2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O
+        log_k           28.8484
+	-delta_H	-345.961	kJ/mol	# Calculated enthalpy of reaction	Hercynite
+#	Enthalpy of formation:	-1966.45 kJ/mol
+        -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002
+#       -Range:  0-300
+
+Herzenbergite
+        SnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sn++
+        log_k           -15.5786
+	-delta_H	81.6466	kJ/mol	# Calculated enthalpy of reaction	Herzenbergite
+#	Enthalpy of formation:	-25.464 kcal/mol
+        -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001
+#       -Range:  0-300
+
+Heulandite
+#        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
+        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O 
+        log_k           3.3506
+	-delta_H	-97.2942	kJ/mol	# Calculated enthalpy of reaction	Heulandite
+#	Enthalpy of formation:	-10594.5 kJ/mol
+        -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006
+#       -Range:  0-300
+
+Hexahydrite
+        MgSO4:6H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O
+        log_k           -1.7268
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hexahydrite
+#	Enthalpy of formation:	0 kcal/mol
+
+Hf(s)
+       Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O
+        log_k           189.9795
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf
+#	Enthalpy of formation:	-0.003 kJ/mol
+
+HfB2
+       HfB2 +2.7500 H+ +2.2500 H2O  =  + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4-
+        log_k           55.7691
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfB2
+#	Enthalpy of formation:	-78.6 kJ/mol
+
+HfBr2
+       HfBr2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br-
+        log_k           114.9446
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr2
+#	Enthalpy of formation:	-98 kJ/mol
+
+HfBr4
+       HfBr4  =  + 1.0000 Hf++++ + 4.0000 Br-
+        log_k           48.2921
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr4
+#	Enthalpy of formation:	-183.1 kJ/mol
+
+HfC
+       HfC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++
+        log_k           215.0827
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfC
+#	Enthalpy of formation:	-54 kJ/mol
+
+HfCl2
+       HfCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl-
+        log_k           109.1624
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl2
+#	Enthalpy of formation:	-125 kJ/mol
+
+HfCl4
+       HfCl4  =  + 1.0000 Hf++++ + 4.0000 Cl-
+        log_k           38.0919
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl4
+#	Enthalpy of formation:	-236.7 kJ/mol
+
+HfF2
+       HfF2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F-
+        log_k           81.7647
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF2
+#	Enthalpy of formation:	-235 kJ/mol
+
+HfF4
+       HfF4  =  + 1.0000 Hf++++ + 4.0000 F-
+        log_k           -19.2307
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF4
+#	Enthalpy of formation:	-461.4 kJ/mol
+
+HfI2
+       HfI2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I-
+        log_k           117.4971
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI2
+#	Enthalpy of formation:	-65 kJ/mol
+
+HfI4
+       HfI4  =  + 1.0000 Hf++++ + 4.0000 I-
+        log_k           54.1798
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI4
+#	Enthalpy of formation:	-118 kJ/mol
+
+HfN
+       HfN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3
+        log_k           69.4646
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfN
+#	Enthalpy of formation:	-89.3 kJ/mol
+
+HfO2
+       HfO2 +4.0000 H+  =  + 1.0000 Hf++++ + 2.0000 H2O
+        log_k           1.1829
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfO2
+#	Enthalpy of formation:	-267.1 kJ/mol
+
+HfS2
+       HfS2 +2.0000 H+  =  + 1.0000 Hf++++ + 2.0000 HS-
+        log_k           -1.5845
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS2
+#	Enthalpy of formation:	-140 kJ/mol
+
+HfS3
+       HfS3 +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2--
+        log_k           -18.9936
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS3
+#	Enthalpy of formation:	-149 kJ/mol
+
+Hg2SO4
+       Hg2SO4  =  + 1.0000 Hg2++ + 1.0000 SO4--
+        log_k           -6.1170
+	-delta_H	0.30448	kJ/mol	# Calculated enthalpy of reaction	Hg2SO4
+#	Enthalpy of formation:	-743.09 kJ/mol
+        -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001
+#       -Range:  0-200
+
+Hg2SeO3
+       Hg2SeO3  =  + 1.0000 Hg2++ + 1.0000 SeO3--
+        log_k           -14.2132
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hg2SeO3
+#	Enthalpy of formation:	0 kcal/mol
+
+HgSeO3
+       HgSeO3  =  + 1.0000 Hg++ + 1.0000 SeO3--
+        log_k           -13.8957
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HgSeO3
+#	Enthalpy of formation:	0 kcal/mol
+
+Hillebrandite
+        Ca2SiO3(OH)2:0.17H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O
+        log_k           36.8190
+	-delta_H	-203.074	kJ/mol	# Calculated enthalpy of reaction	Hillebrandite
+#	Enthalpy of formation:	-637.404 kcal/mol
+        -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005
+#       -Range:  0-300
+
+Hinsdalite
+        Al3PPbSO8(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
+        log_k           9.8218
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hinsdalite
+#	Enthalpy of formation:	0 kcal/mol
+
+Ho
+       Ho +3.0000 H+ +0.7500 O2  =  + 1.0000 Ho+++ + 1.5000 H2O
+        log_k           182.8097
+	-delta_H	-1126.75	kJ/mol	# Calculated enthalpy of reaction	Ho
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002
+#       -Range:  0-300
+
+Ho(OH)3
+       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
+        log_k           15.3852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Ho(OH)3(am)
+       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
+        log_k           17.7852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Ho2(CO3)3
+       Ho2(CO3)3 +3.0000 H+  =  + 2.0000 Ho+++ + 3.0000 HCO3-
+        log_k           -2.8136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Ho2O3
+       Ho2O3 +6.0000 H+  =  + 2.0000 Ho+++ + 3.0000 H2O
+        log_k           47.3000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+HoF3:.5H2O
+       HoF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F-
+        log_k           -16.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+HoPO4:10H2O
+       HoPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O
+        log_k           -11.8782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Hopeite
+        Zn3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O
+        log_k           -10.6563
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hopeite
+#	Enthalpy of formation:	0 kcal/mol
+
+Huntite
+        CaMg3(CO3)4 +4.0000 H+  =  + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3-
+        log_k           10.3010
+	-delta_H	-171.096	kJ/mol	# Calculated enthalpy of reaction	Huntite
+#	Enthalpy of formation:	-1082.6 kcal/mol
+        -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002
+#       -Range:  0-300
+
+Hydroboracite
+        MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3
+        log_k           20.3631
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydroboracite
+#	Enthalpy of formation:	0 kcal/mol
+
+Hydrocerussite
+        Pb3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++
+        log_k           1.8477
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrocerussite
+#	Enthalpy of formation:	0 kcal/mol
+
+Hydromagnesite
+        Mg5(CO3)4(OH)2:4H2O +6.0000 H+  =  + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O
+        log_k           30.8539
+	-delta_H	-289.696	kJ/mol	# Calculated enthalpy of reaction	Hydromagnesite
+#	Enthalpy of formation:	-1557.09 kcal/mol
+        -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002
+#       -Range:  0-300
+
+Hydrophilite
+        CaCl2  =  + 1.0000 Ca++ + 2.0000 Cl-
+        log_k           11.7916
+	-delta_H	-81.4545	kJ/mol	# Calculated enthalpy of reaction	Hydrophilite
+#	Enthalpy of formation:	-795.788 kJ/mol
+        -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002
+#       -Range:  0-300
+
+Hydroxylapatite
+        Ca5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++
+        log_k           -3.0746
+	-delta_H	-191.982	kJ/mol	# Calculated enthalpy of reaction	Hydroxylapatite
+#	Enthalpy of formation:	-6685.52 kJ/mol
+        -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002
+#       -Range:  0-300
+
+Hydrozincite
+        Zn5(OH)6(CO3)2 +8.0000 H+  =  + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O
+        log_k           30.3076
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrozincite
+#	Enthalpy of formation:	0 kcal/mol
+
+I2
+       I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I-
+        log_k           -24.8084
+	-delta_H	165.967	kJ/mol	# Calculated enthalpy of reaction	I2
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001
+#       -Range:  0-300
+
+Ice
+        H2O  =  + 1.0000 H2O
+        log_k           0.1387
+	-delta_H	6.74879	kJ/mol	# Calculated enthalpy of reaction	Ice
+#	Enthalpy of formation:	-69.93 kcal/mol
+        -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001
+#       -Range:  0-200
+
+Illite
+        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
+        log_k           9.0260
+	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
+#	Enthalpy of formation:	-1394.71 kcal/mol
+        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
+#       -Range:  0-300
+
+Ilmenite
+        FeTiO3 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Fe++ + 1.0000 Ti(OH)4
+        log_k           0.9046
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ilmenite
+#	Enthalpy of formation:	-1236.65 kJ/mol
+
+In
+       In +3.0000 H+ +0.7500 O2  =  + 1.0000 In+++ + 1.5000 H2O
+        log_k           81.6548
+	-delta_H	-524.257	kJ/mol	# Calculated enthalpy of reaction	In
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004
+#       -Range:  0-300
+
+Jadeite
+        NaAl(SiO3)2 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2
+        log_k           8.3888
+	-delta_H	-84.4415	kJ/mol	# Calculated enthalpy of reaction	Jadeite
+#	Enthalpy of formation:	-722.116 kcal/mol
+        -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005
+#       -Range:  0-300
+
+Jarosite
+        KFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
+        log_k           -9.3706
+	-delta_H	-191.343	kJ/mol	# Calculated enthalpy of reaction	Jarosite
+#	Enthalpy of formation:	-894.79 kcal/mol
+        -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002
+#       -Range:  0-200
+
+Jarosite-Na
+        NaFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
+        log_k           -5.4482
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Jarosite-Na
+#	Enthalpy of formation:	0 kcal/mol
+
+K
+       K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+
+        log_k           70.9861
+	-delta_H	-392.055	kJ/mol	# Calculated enthalpy of reaction	K
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002
+#       -Range:  0-300
+
+K-Feldspar
+        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           -0.2753
+	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	K-Feldspar
+#	Enthalpy of formation:	-949.188 kcal/mol
+        -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006
+#       -Range:  0-300
+
+K2CO3:1.5H2O
+       K2CO3:1.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+
+        log_k           13.3785
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2CO3:1.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+K2O
+       K2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 K+
+        log_k           84.0405
+	-delta_H	-427.006	kJ/mol	# Calculated enthalpy of reaction	K2O
+#	Enthalpy of formation:	-86.8 kcal/mol
+        -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002
+#       -Range:  0-300
+
+K2Se
+       K2Se  =  + 1.0000 Se-- + 2.0000 K+
+        log_k           11.2925
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2Se
+#	Enthalpy of formation:	-92 kcal/mol
+        -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001
+#       -Range:  0-200
+
+K2UO4
+       K2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+
+        log_k           33.8714
+	-delta_H	-174.316	kJ/mol	# Calculated enthalpy of reaction	K2UO4
+#	Enthalpy of formation:	-1920.7 kJ/mol
+        -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002
+#       -Range:  0-200
+
+K3H(SO4)2
+       K3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+
+        log_k           -3.6233
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K3H(SO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+K8H4(CO3)6:3H2O
+       K8H4(CO3)6:3H2O +2.0000 H+  =  + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+
+        log_k           27.7099
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K8H4(CO3)6:3H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+KAl(SO4)2
+       KAl(SO4)2  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4--
+        log_k           3.3647
+	-delta_H	-139.485	kJ/mol	# Calculated enthalpy of reaction	KAl(SO4)2
+#	Enthalpy of formation:	-2470.29 kJ/mol
+        -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002
+#       -Range:  0-300
+
+KBr
+       KBr  =  + 1.0000 Br- + 1.0000 K+
+        log_k           1.0691
+	-delta_H	20.125	kJ/mol	# Calculated enthalpy of reaction	KBr
+#	Enthalpy of formation:	-393.798 kJ/mol
+        -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000
+#       -Range:  0-300
+
+KMgCl3
+       KMgCl3  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl-
+        log_k           21.2618
+	-delta_H	-132.768	kJ/mol	# Calculated enthalpy of reaction	KMgCl3
+#	Enthalpy of formation:	-1086.6 kJ/mol
+        -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001
+#       -Range:  0-200
+
+KMgCl3:2H2O
+       KMgCl3:2H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl-
+        log_k           13.9755
+	-delta_H	-76.8449	kJ/mol	# Calculated enthalpy of reaction	KMgCl3:2H2O
+#	Enthalpy of formation:	-1714.2 kJ/mol
+        -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001
+#       -Range:  0-200
+
+KNaCO3:6H2O
+       KNaCO3:6H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O
+        log_k           10.2593
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KNaCO3:6H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+KTcO4
+       KTcO4  =  + 1.0000 K+ + 1.0000 TcO4-
+        log_k           -2.2667
+	-delta_H	53.2363	kJ/mol	# Calculated enthalpy of reaction	KTcO4
+#	Enthalpy of formation:	-1021.67 kJ/mol
+        -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005
+#       -Range:  0-300
+
+KUO2AsO4
+       KUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++
+        log_k           -4.1741
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KUO2AsO4
+#	Enthalpy of formation:	0 kcal/mol
+
+Kainite
+        KMgClSO4:3H2O  =  + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O
+        log_k           -0.3114
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kainite
+#	Enthalpy of formation:	0 kcal/mol
+
+Kalicinite
+        KHCO3  =  + 1.0000 HCO3- + 1.0000 K+
+        log_k           0.2837
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kalicinite
+#	Enthalpy of formation:	0 kcal/mol
+
+Kalsilite
+        KAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O
+        log_k           10.8987
+	-delta_H	-108.583	kJ/mol	# Calculated enthalpy of reaction	Kalsilite
+#	Enthalpy of formation:	-509.408 kcal/mol
+        -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005
+#       -Range:  0-300
+
+Kaolinite
+        Al2Si2O5(OH)4 +6.0000 H+  =  + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O
+        log_k           6.8101
+	-delta_H	-151.779	kJ/mol	# Calculated enthalpy of reaction	Kaolinite
+#	Enthalpy of formation:	-982.221 kcal/mol
+        -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005
+#       -Range:  0-300
+
+Karelianite
+        V2O3 +6.0000 H+  =  + 2.0000 V+++ + 3.0000 H2O
+        log_k           9.9424
+	-delta_H	-160.615	kJ/mol	# Calculated enthalpy of reaction	Karelianite
+#	Enthalpy of formation:	-1218.98 kJ/mol
+        -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005
+#       -Range:  0-300
+
+Kasolite
+        Pb(UO2)SiO4:H2O +4.0000 H+  =  + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
+        log_k           7.2524
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kasolite
+#	Enthalpy of formation:	0 kcal/mol
+
+Katoite
+        Ca3Al2H12O12 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O
+        log_k           78.9437
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Katoite
+#	Enthalpy of formation:	0 kcal/mol
+
+Kieserite
+        MgSO4:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4--
+        log_k           -0.2670
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kieserite
+#	Enthalpy of formation:	0 kcal/mol
+
+Klockmannite
+        CuSe  =  + 1.0000 Cu++ + 1.0000 Se--
+        log_k           -41.6172
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Klockmannite
+#	Enthalpy of formation:	-10 kcal/mol
+        -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002
+#       -Range:  0-200
+
+Krutaite
+        CuSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se--
+        log_k           -107.6901
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Krutaite
+#	Enthalpy of formation:	-11.5 kcal/mol
+        -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002
+#       -Range:  0-200
+
+Kyanite
+        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
+        log_k           15.6740
+	-delta_H	-230.919	kJ/mol	# Calculated enthalpy of reaction	Kyanite
+#	Enthalpy of formation:	-616.897 kcal/mol
+        -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002
+#       -Range:  0-300
+
+La
+       La +3.0000 H+ +0.7500 O2  =  + 1.0000 La+++ + 1.5000 H2O
+        log_k           184.7155
+	-delta_H	-1129.26	kJ/mol	# Calculated enthalpy of reaction	La
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002
+#       -Range:  0-300
+
+La(OH)3
+       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
+        log_k           20.2852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+La(OH)3(am)
+       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
+        log_k           23.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+La2(CO3)3:8H2O
+       La2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O
+        log_k           -4.3136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(CO3)3:8H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+La2O3
+       La2O3 +6.0000 H+  =  + 2.0000 La+++ + 3.0000 H2O
+        log_k           66.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+LaCl3
+       LaCl3  =  + 1.0000 La+++ + 3.0000 Cl-
+        log_k           14.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3
+#	Enthalpy of formation:	0 kcal/mol
+
+LaCl3:7H2O
+       LaCl3:7H2O  =  + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O
+        log_k           4.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3:7H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+LaF3:.5H2O
+       LaF3:.5H2O  =  + 0.5000 H2O + 1.0000 La+++ + 3.0000 F-
+        log_k           -18.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+LaPO4:10H2O
+       LaPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O
+        log_k           -12.3782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Lammerite
+        Cu3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cu++
+        log_k           1.5542
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lammerite
+#	Enthalpy of formation:	0 kcal/mol
+Lanarkite
+        Pb2(SO4)O +2.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++
+        log_k           -0.4692
+	-delta_H	-22.014	kJ/mol	# Calculated enthalpy of reaction	Lanarkite
+#	Enthalpy of formation:	-1171.59 kJ/mol
+        -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004
+#       -Range:  0-200
+
+Lansfordite
+        MgCO3:5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O
+        log_k           4.8409
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lansfordite
+#	Enthalpy of formation:	0 kcal/mol
+
+Larnite
+        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
+        log_k           38.4665
+	-delta_H	-227.061	kJ/mol	# Calculated enthalpy of reaction	Larnite
+#	Enthalpy of formation:	-551.74 kcal/mol
+        -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004
+#       -Range:  0-300
+
+Laumontite
+        CaAl2Si4O12:4H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O
+        log_k           13.6667
+	-delta_H	-184.657	kJ/mol	# Calculated enthalpy of reaction	Laumontite
+#	Enthalpy of formation:	-1728.66 kcal/mol
+        -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006
+#       -Range:  0-300
+
+Laurite
+        RuS2  =  + 1.0000 Ru++ + 1.0000 S2--
+        log_k           -73.2649
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Laurite
+#	Enthalpy of formation:	-199.586 kJ/mol
+
+Lawrencite
+        FeCl2  =  + 1.0000 Fe++ + 2.0000 Cl-
+        log_k           9.0945
+	-delta_H	-84.7665	kJ/mol	# Calculated enthalpy of reaction	Lawrencite
+#	Enthalpy of formation:	-341.65 kJ/mol
+        -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002
+#       -Range:  0-300
+
+Lawsonite
+        CaAl2Si2O7(OH)2:H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O
+        log_k           22.2132
+	-delta_H	-244.806	kJ/mol	# Calculated enthalpy of reaction	Lawsonite
+#	Enthalpy of formation:	-1158.1 kcal/mol
+        -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002
+#       -Range:  0-300
+
+Leonite
+        K2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O
+        log_k           -4.1123
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Leonite
+#	Enthalpy of formation:	0 kcal/mol
+
+Li
+       Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+
+        log_k           72.7622
+	-delta_H	-418.339	kJ/mol	# Calculated enthalpy of reaction	Li
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005
+#       -Range:  0-300
+
+Li2Se
+       Li2Se +1.5000 O2  =  + 1.0000 SeO3-- + 2.0000 Li+
+        log_k           102.8341
+	-delta_H	-646.236	kJ/mol	# Calculated enthalpy of reaction	Li2Se
+#	Enthalpy of formation:	-96 kcal/mol
+        -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002
+#       -Range:  0-200
+
+Li2UO4
+       Li2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+
+        log_k           27.8421
+	-delta_H	-179.384	kJ/mol	# Calculated enthalpy of reaction	Li2UO4
+#	Enthalpy of formation:	-1968.2 kJ/mol
+        -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002
+#       -Range:  0-200
+
+LiUO2AsO4
+       LiUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++
+        log_k           -0.7862
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiUO2AsO4
+#	Enthalpy of formation:	0 kcal/mol
+
+Lime
+        CaO +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O
+        log_k           32.5761
+	-delta_H	-193.832	kJ/mol	# Calculated enthalpy of reaction	Lime
+#	Enthalpy of formation:	-151.79 kcal/mol
+        -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002
+#       -Range:  0-300
+
+Linnaeite
+        Co3S4 +4.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS-
+        log_k           -106.9017
+	-delta_H	420.534	kJ/mol	# Calculated enthalpy of reaction	Linnaeite
+#	Enthalpy of formation:	-85.81 kcal/mol
+        -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002
+#       -Range:  0-300
+
+Litharge
+        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
+        log_k           12.6388
+	-delta_H	-65.9118	kJ/mol	# Calculated enthalpy of reaction	Litharge
+#	Enthalpy of formation:	-219.006 kJ/mol
+        -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001
+#       -Range:  0-200
+
+Lopezite
+        K2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+
+        log_k           -17.4366
+	-delta_H	81.9227	kJ/mol	# Calculated enthalpy of reaction	Lopezite
+#	Enthalpy of formation:	-493.003 kcal/mol
+        -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002
+#       -Range:  0-200
+
+Lu
+       Lu +3.0000 H+ +0.7500 O2  =  + 1.0000 Lu+++ + 1.5000 H2O
+        log_k           181.3437
+	-delta_H	-1122.15	kJ/mol	# Calculated enthalpy of reaction	Lu
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002
+#       -Range:  0-300
+
+Lu(OH)3
+       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
+        log_k           14.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Lu(OH)3(am)
+       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
+        log_k           18.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Lu2(CO3)3
+       Lu2(CO3)3 +3.0000 H+  =  + 2.0000 Lu+++ + 3.0000 HCO3-
+        log_k           -2.0136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Lu2O3
+       Lu2O3 +6.0000 H+  =  + 2.0000 Lu+++ + 3.0000 H2O
+        log_k           45.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+LuF3:.5H2O
+       LuF3:.5H2O  =  + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F-
+        log_k           -15.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+LuPO4:10H2O
+       LuPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O
+        log_k           -11.6782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Magnesiochromite
+        MgCr2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O
+        log_k           21.6927
+	-delta_H	-302.689	kJ/mol	# Calculated enthalpy of reaction	Magnesiochromite
+#	Enthalpy of formation:	-1783.6 kJ/mol
+        -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002
+#       -Range:  0-200
+
+Magnesite
+        MgCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++
+        log_k           2.2936
+	-delta_H	-44.4968	kJ/mol	# Calculated enthalpy of reaction	Magnesite
+#	Enthalpy of formation:	-265.63 kcal/mol
+        -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002
+#       -Range:  0-300
+
+Magnetite
+        Fe3O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           10.4724
+	-delta_H	-216.597	kJ/mol	# Calculated enthalpy of reaction	Magnetite
+#	Enthalpy of formation:	-267.25 kcal/mol
+        -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002
+#       -Range:  0-300
+
+Malachite
+        Cu2CO3(OH)2 +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O
+        log_k           5.9399
+	-delta_H	-76.2827	kJ/mol	# Calculated enthalpy of reaction	Malachite
+#	Enthalpy of formation:	-251.9 kcal/mol
+        -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002
+#       -Range:  0-300
+
+Manganite
+        MnO(OH) +3.0000 H+  =  + 1.0000 Mn+++ + 2.0000 H2O
+        log_k           -0.1646
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Manganite
+#	Enthalpy of formation:	0 kcal/mol
+
+Manganosite
+        MnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++
+        log_k           17.9240
+	-delta_H	-121.215	kJ/mol	# Calculated enthalpy of reaction	Manganosite
+#	Enthalpy of formation:	-92.07 kcal/mol
+        -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002
+#       -Range:  0-300
+
+Margarite
+        CaAl4Si2O10(OH)2 +14.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O
+        log_k           41.0658
+	-delta_H	-522.192	kJ/mol	# Calculated enthalpy of reaction	Margarite
+#	Enthalpy of formation:	-1485.8 kcal/mol
+        -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002
+#       -Range:  0-300
+
+Massicot
+        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
+        log_k           12.8210
+	-delta_H	-67.6078	kJ/mol	# Calculated enthalpy of reaction	Massicot
+#	Enthalpy of formation:	-217.31 kJ/mol
+        -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001
+#       -Range:  0-200
+
+Matlockite
+        PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
+        log_k           -9.4300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Matlockite
+#	Enthalpy of formation:	0 kcal/mol
+
+Maximum_Microcline
+        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           -0.2753
+	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	Maximum_Microcline
+#	Enthalpy of formation:	-949.188 kcal/mol
+        -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006
+#       -Range:  0-300
+
+Mayenite
+        Ca12Al14O33 +66.0000 H+  =  + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O
+        log_k           494.2199
+	-delta_H	-4056.77	kJ/mol	# Calculated enthalpy of reaction	Mayenite
+#	Enthalpy of formation:	-4644 kcal/mol
+        -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003
+#       -Range:  0-200
+
+Melanterite
+        FeSO4:7H2O  =  + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O
+        log_k           -2.3490
+	-delta_H	11.7509	kJ/mol	# Calculated enthalpy of reaction	Melanterite
+#	Enthalpy of formation:	-3014.48 kJ/mol
+        -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002
+#       -Range:  0-300
+
+Mercallite
+        KHSO4  =  + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4--
+        log_k           -1.4389
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mercallite
+#	Enthalpy of formation:	0 kcal/mol
+
+Merwinite
+        MgCa3(SiO4)2 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O
+        log_k           68.5140
+	-delta_H	-430.069	kJ/mol	# Calculated enthalpy of reaction	Merwinite
+#	Enthalpy of formation:	-1090.8 kcal/mol
+        -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005
+#       -Range:  0-300
+
+Mesolite
+        Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+  =  + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O
+        log_k           13.6191
+	-delta_H	-179.744	kJ/mol	# Calculated enthalpy of reaction	Mesolite
+#	Enthalpy of formation:	-5947.05 kJ/mol
+        -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005
+#       -Range:  0-300
+
+Metacinnabar
+        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
+        log_k           -38.5979
+	-delta_H	203.426	kJ/mol	# Calculated enthalpy of reaction	Metacinnabar
+#	Enthalpy of formation:	-11.8 kcal/mol
+        -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002
+#       -Range:  0-300
+
+Mg
+       Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++
+        log_k           122.5365
+	-delta_H	-745.731	kJ/mol	# Calculated enthalpy of reaction	Mg
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002
+#       -Range:  0-300
+
+Mg1.25SO4(OH)0.5:0.5H2O
+       Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++
+        log_k           5.2600
+	-delta_H	-97.1054	kJ/mol	# Calculated enthalpy of reaction	Mg1.25SO4(OH)0.5:0.5H2O
+#	Enthalpy of formation:	-401.717 kcal/mol
+        -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002
+#       -Range:  0-300
+
+Mg1.5SO4(OH)
+       Mg1.5SO4(OH) +1.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++
+        log_k           9.2551
+	-delta_H	-125.832	kJ/mol	# Calculated enthalpy of reaction	Mg1.5SO4(OH)
+#	Enthalpy of formation:	-422.693 kcal/mol
+        -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002
+#       -Range:  0-300
+
+Mg2V2O7
+       Mg2V2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4---
+        log_k           -30.9025
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg2V2O7
+#	Enthalpy of formation:	-2836.23 kJ/mol
+
+MgBr2
+       MgBr2  =  + 1.0000 Mg++ + 2.0000 Br-
+        log_k           28.5302
+	-delta_H	-190.15	kJ/mol	# Calculated enthalpy of reaction	MgBr2
+#	Enthalpy of formation:	-124 kcal/mol
+        -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002
+#       -Range:  0-300
+
+MgBr2:6H2O
+       MgBr2:6H2O  =  + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O
+        log_k           5.1656
+	-delta_H	-14.2682	kJ/mol	# Calculated enthalpy of reaction	MgBr2:6H2O
+#	Enthalpy of formation:	-2409.73 kJ/mol
+        -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001
+#       -Range:  0-200
+
+MgCl2:2H2O
+       MgCl2:2H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           12.7763
+	-delta_H	-92.0895	kJ/mol	# Calculated enthalpy of reaction	MgCl2:2H2O
+#	Enthalpy of formation:	-1279.71 kJ/mol
+        -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002
+#       -Range:  0-300
+
+MgCl2:4H2O
+       MgCl2:4H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O
+        log_k           7.3581
+	-delta_H	-44.4602	kJ/mol	# Calculated enthalpy of reaction	MgCl2:4H2O
+#	Enthalpy of formation:	-1899.01 kJ/mol
+        -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002
+#       -Range:  0-300
+
+MgCl2:H2O
+       MgCl2:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl-
+        log_k           16.1187
+	-delta_H	-119.326	kJ/mol	# Calculated enthalpy of reaction	MgCl2:H2O
+#	Enthalpy of formation:	-966.631 kJ/mol
+        -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002
+#       -Range:  0-300
+
+MgOHCl
+       MgOHCl +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++
+        log_k           15.9138
+	-delta_H	-118.897	kJ/mol	# Calculated enthalpy of reaction	MgOHCl
+#	Enthalpy of formation:	-191.2 kcal/mol
+        -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002
+#       -Range:  0-300
+
+MgSO4
+       MgSO4  =  + 1.0000 Mg++ + 1.0000 SO4--
+        log_k           4.8781
+	-delta_H	-90.6421	kJ/mol	# Calculated enthalpy of reaction	MgSO4
+#	Enthalpy of formation:	-1284.92 kJ/mol
+        -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002
+#       -Range:  0-300
+
+MgSeO3
+       MgSeO3  =  + 1.0000 Mg++ + 1.0000 SeO3--
+        log_k           1.7191
+	-delta_H	-74.9647	kJ/mol	# Calculated enthalpy of reaction	MgSeO3
+#	Enthalpy of formation:	-215.15 kcal/mol
+        -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002
+#       -Range:  0-300
+
+MgSeO3:6H2O
+       MgSeO3:6H2O  =  + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O
+        log_k           -3.4222
+	-delta_H	11.7236	kJ/mol	# Calculated enthalpy of reaction	MgSeO3:6H2O
+#	Enthalpy of formation:	-645.771 kcal/mol
+        -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001
+#       -Range:  0-200
+
+MgUO4
+       MgUO4 +4.0000 H+  =  + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O
+        log_k           23.0023
+	-delta_H	-199.336	kJ/mol	# Calculated enthalpy of reaction	MgUO4
+#	Enthalpy of formation:	-1857.3 kJ/mol
+        -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002
+#       -Range:  0-300
+
+MgV2O6
+       MgV2O6 +2.0000 H2O  =  + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+
+        log_k           -45.8458
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgV2O6
+#	Enthalpy of formation:	-2201.88 kJ/mol
+
+Millerite
+        NiS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Ni++
+        log_k           -8.0345
+	-delta_H	12.089	kJ/mol	# Calculated enthalpy of reaction	Millerite
+#	Enthalpy of formation:	-82.171 kJ/mol
+        -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001
+#       -Range:  0-300
+
+Minium
+        Pb3O4 +8.0000 H+  =  + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O
+        log_k           16.2585
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Minium
+#	Enthalpy of formation:	-718.493 kJ/mol
+
+Minnesotaite
+        Fe3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           13.9805
+	-delta_H	-105.211	kJ/mol	# Calculated enthalpy of reaction	Minnesotaite
+#	Enthalpy of formation:	-1153.37 kcal/mol
+        -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006
+#       -Range:  0-300
+
+Mirabilite
+        Na2SO4:10H2O  =  + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O
+        log_k           -1.1398
+	-delta_H	79.4128	kJ/mol	# Calculated enthalpy of reaction	Mirabilite
+#	Enthalpy of formation:	-4328 kJ/mol
+        -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002
+#       -Range:  0-200
+
+Misenite
+        K8H6(SO4)7  =  + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+
+        log_k           -11.0757
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Misenite
+#	Enthalpy of formation:	0 kcal/mol
+
+Mn
+       Mn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mn++
+        log_k           82.9505
+	-delta_H	-500.369	kJ/mol	# Calculated enthalpy of reaction	Mn
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002
+#       -Range:  0-300
+
+Mn(OH)2(am)
+       Mn(OH)2 +2.0000 H+  =  + 1.0000 Mn++ + 2.0000 H2O
+        log_k           15.3102
+	-delta_H	-97.1779	kJ/mol	# Calculated enthalpy of reaction	Mn(OH)2(am)
+#	Enthalpy of formation:	-695.096 kJ/mol
+        -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002
+#       -Range:  0-200
+
+Mn(OH)3
+       Mn(OH)3 +3.0000 H+  =  + 1.0000 Mn+++ + 3.0000 H2O
+        log_k           6.3412
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Mn3(PO4)2
+       Mn3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Mn++
+        log_k           0.8167
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+MnCl2:2H2O
+       MnCl2:2H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           4.0067
+	-delta_H	-34.4222	kJ/mol	# Calculated enthalpy of reaction	MnCl2:2H2O
+#	Enthalpy of formation:	-1092.01 kJ/mol
+        -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001
+#       -Range:  0-200
+
+MnCl2:4H2O
+       MnCl2:4H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O
+        log_k           2.7563
+	-delta_H	-10.7019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:4H2O
+#	Enthalpy of formation:	-1687.41 kJ/mol
+        -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001
+#       -Range:  0-200
+
+MnCl2:H2O
+       MnCl2:H2O  =  + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl-
+        log_k           5.5517
+	-delta_H	-50.8019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:H2O
+#	Enthalpy of formation:	-789.793 kJ/mol
+        -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001
+#       -Range:  0-200
+
+MnHPO4
+       MnHPO4  =  + 1.0000 HPO4-- + 1.0000 Mn++
+        log_k           -12.9470
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
+#	Enthalpy of formation:	0 kcal/mol
+
+MnO2(gamma)
+       MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
+        log_k           -16.1261
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnO2(gamma)
+#	Enthalpy of formation:	0 kcal/mol
+
+MnSO4
+       MnSO4  =  + 1.0000 Mn++ + 1.0000 SO4--
+        log_k           2.6561
+	-delta_H	-64.8718	kJ/mol	# Calculated enthalpy of reaction	MnSO4
+#	Enthalpy of formation:	-1065.33 kJ/mol
+        -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002
+#       -Range:  0-300
+
+MnSe
+       MnSe  =  + 1.0000 Mn++ + 1.0000 Se--
+        log_k           -10.6848
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSe
+#	Enthalpy of formation:	-37 kcal/mol
+        -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001
+#       -Range:  0-300
+
+MnSeO3
+       MnSeO3  =  + 1.0000 Mn++ + 1.0000 SeO3--
+        log_k           -7.2700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO3
+#	Enthalpy of formation:	0 kcal/mol
+
+MnSeO3:2H2O
+       MnSeO3:2H2O  =  + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O
+        log_k           -6.3219
+	-delta_H	14.0792	kJ/mol	# Calculated enthalpy of reaction	MnSeO3:2H2O
+#	Enthalpy of formation:	-314.423 kcal/mol
+        -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000
+#       -Range:  0-200
+
+MnV2O6
+       MnV2O6 +2.0000 H2O  =  + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+
+        log_k           -52.0751
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnV2O6
+#	Enthalpy of formation:	-447.9 kcal/mol
+
+Mo
+       Mo +1.5000 O2 +1.0000 H2O  =  + 1.0000 MoO4-- + 2.0000 H+
+        log_k           109.3230
+	-delta_H	-693.845	kJ/mol	# Calculated enthalpy of reaction	Mo
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005
+#       -Range:  0-300
+
+MoSe2
+       MoSe2 +3.0000 H2O +0.5000 O2  =  + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+
+        log_k           -55.1079
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MoSe2
+#	Enthalpy of formation:	-47 kcal/mol
+        -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002
+#       -Range:  0-200
+
+Modderite
+        CoAs +3.0000 H+  =  + 1.0000 AsH3 + 1.0000 Co+++
+        log_k           -49.5512
+	-delta_H	189.016	kJ/mol	# Calculated enthalpy of reaction	Modderite
+#	Enthalpy of formation:	-12.208 kcal/mol
+
+Molysite
+        FeCl3  =  + 1.0000 Fe+++ + 3.0000 Cl-
+        log_k           13.5517
+	-delta_H	-151.579	kJ/mol	# Calculated enthalpy of reaction	Molysite
+#	Enthalpy of formation:	-399.24 kJ/mol
+        -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002
+#       -Range:  0-300
+
+Monohydrocalcite
+        CaCO3:H2O +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3-
+        log_k           2.6824
+	-delta_H	-20.5648	kJ/mol	# Calculated enthalpy of reaction	Monohydrocalcite
+#	Enthalpy of formation:	-1498.29 kJ/mol
+        -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001
+#       -Range:  0-200
+
+Monteponite
+        CdO +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O
+        log_k           15.0972
+	-delta_H	-103.386	kJ/mol	# Calculated enthalpy of reaction	Monteponite
+#	Enthalpy of formation:	-258.35 kJ/mol
+        -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002
+#       -Range:  0-200
+
+Monticellite
+        CaMgSiO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O
+        log_k           29.5852
+	-delta_H	-195.711	kJ/mol	# Calculated enthalpy of reaction	Monticellite
+#	Enthalpy of formation:	-540.8 kcal/mol
+        -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002
+#       -Range:  0-300
+
+Montmor-Ca
+        Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           2.4952
+	-delta_H	-100.154	kJ/mol	# Calculated enthalpy of reaction	Montmor-Ca
+#	Enthalpy of formation:	-1361.5 kcal/mol
+        -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006
+#       -Range:  0-300
+
+Montmor-Cs
+        Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           1.9913
+	-delta_H	-87.2259	kJ/mol	# Calculated enthalpy of reaction	Montmor-Cs
+#	Enthalpy of formation:	-1363.52 kcal/mol
+        -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006
+#       -Range:  0-300
+
+Montmor-K
+        K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           2.1423
+	-delta_H	-88.184	kJ/mol	# Calculated enthalpy of reaction	Montmor-K
+#	Enthalpy of formation:	-1362.83 kcal/mol
+        -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006
+#       -Range:  0-300
+
+Montmor-Mg
+        Mg.495Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           2.3879
+	-delta_H	-102.608	kJ/mol	# Calculated enthalpy of reaction	Montmor-Mg
+#	Enthalpy of formation:	-1357.87 kcal/mol
+        -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006
+#       -Range:  0-300
+
+Montmor-Na
+        Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           2.4844
+	-delta_H	-93.2165	kJ/mol	# Calculated enthalpy of reaction	Montmor-Na
+#	Enthalpy of formation:	-1360.69 kcal/mol
+        -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006
+#       -Range:  0-300
+
+Montroydite
+        HgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Hg++
+        log_k           2.4486
+	-delta_H	-24.885	kJ/mol	# Calculated enthalpy of reaction	Montroydite
+#	Enthalpy of formation:	-90.79 kJ/mol
+        -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001
+#       -Range:  0-300
+
+Mordenite
+        Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O
+        log_k           -5.1969
+	-delta_H	16.7517	kJ/mol	# Calculated enthalpy of reaction	Mordenite
+#	Enthalpy of formation:	-6736.64 kJ/mol
+        -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006
+#       -Range:  0-300
+
+Mordenite-dehy
+        Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2
+        log_k           9.9318
+	-delta_H	-86.159	kJ/mol	# Calculated enthalpy of reaction	Mordenite-dehy
+#	Enthalpy of formation:	-5642.44 kJ/mol
+        -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006
+#       -Range:  0-300
+
+Morenosite
+        NiSO4:7H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O
+        log_k           -2.0140
+	-delta_H	12.0185	kJ/mol	# Calculated enthalpy of reaction	Morenosite
+#	Enthalpy of formation:	-2976.46 kJ/mol
+        -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002
+#       -Range:  0-300
+
+Muscovite
+        KAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           13.5858
+	-delta_H	-243.224	kJ/mol	# Calculated enthalpy of reaction	Muscovite
+#	Enthalpy of formation:	-1427.41 kcal/mol
+        -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005
+#       -Range:  0-300
+
+NH4HSe
+       NH4HSe  =  + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+
+        log_k           -22.0531
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4HSe
+#	Enthalpy of formation:	-133.041 kJ/mol
+        -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001
+#       -Range:  0-200
+Na
+       Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+
+        log_k           67.3804
+	-delta_H	-380.185	kJ/mol	# Calculated enthalpy of reaction	Na
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004
+#       -Range:  0-300
+
+Na2CO3
+       Na2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+
+        log_k           11.1822
+	-delta_H	-39.8526	kJ/mol	# Calculated enthalpy of reaction	Na2CO3
+#	Enthalpy of formation:	-1130.68 kJ/mol
+        -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002
+#       -Range:  0-300
+
+Na2CO3:7H2O
+       Na2CO3:7H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O
+        log_k           9.9459
+	-delta_H	27.7881	kJ/mol	# Calculated enthalpy of reaction	Na2CO3:7H2O
+#	Enthalpy of formation:	-3199.19 kJ/mol
+        -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002
+#       -Range:  0-200
+
+Na2Cr2O7
+       Na2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+
+        log_k           -10.1597
+	-delta_H	21.9702	kJ/mol	# Calculated enthalpy of reaction	Na2Cr2O7
+#	Enthalpy of formation:	-473 kcal/mol
+        -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001
+#       -Range:  0-200
+
+Na2CrO4
+       Na2CrO4  =  + 1.0000 CrO4-- + 2.0000 Na+
+        log_k           2.9103
+	-delta_H	-19.5225	kJ/mol	# Calculated enthalpy of reaction	Na2CrO4
+#	Enthalpy of formation:	-320.8 kcal/mol
+        -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Na2O
+       Na2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+
+        log_k           67.4269
+	-delta_H	-351.636	kJ/mol	# Calculated enthalpy of reaction	Na2O
+#	Enthalpy of formation:	-99.14 kcal/mol
+        -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002
+#       -Range:  0-300
+
+Na2Se
+       Na2Se  =  + 1.0000 Se-- + 2.0000 Na+
+        log_k           11.8352
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se
+#	Enthalpy of formation:	-81.9 kcal/mol
+        -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Na2Se2
+       Na2Se2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se--
+        log_k           -61.3466
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se2
+#	Enthalpy of formation:	-92.8 kcal/mol
+        -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002
+#       -Range:  0-200
+
+Na2SiO3
+       Na2SiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+
+        log_k           22.2418
+	-delta_H	-82.7093	kJ/mol	# Calculated enthalpy of reaction	Na2SiO3
+#	Enthalpy of formation:	-373.19 kcal/mol
+        -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005
+#       -Range:  0-300
+
+Na2U2O7
+       Na2U2O7 +6.0000 H+  =  + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O
+        log_k           22.5917
+	-delta_H	-172.314	kJ/mol	# Calculated enthalpy of reaction	Na2U2O7
+#	Enthalpy of formation:	-3203.8 kJ/mol
+        -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002
+#       -Range:  0-300
+
+Na2UO4(alpha)
+       Na2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+
+        log_k           30.0231
+	-delta_H	-173.576	kJ/mol	# Calculated enthalpy of reaction	Na2UO4(alpha)
+#	Enthalpy of formation:	-1897.7 kJ/mol
+        -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002
+#       -Range:  0-300
+
+Na3H(SO4)2
+       Na3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+
+        log_k           -0.8906
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na3H(SO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Na3UO4
+       Na3UO4 +4.0000 H+  =  + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+
+        log_k           56.2574
+	-delta_H	-293.703	kJ/mol	# Calculated enthalpy of reaction	Na3UO4
+#	Enthalpy of formation:	-2024 kJ/mol
+        -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002
+#       -Range:  0-300
+
+Na4Ca(SO4)3:2H2O
+       Na4Ca(SO4)3:2H2O  =  + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+
+        log_k           -5.8938
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4Ca(SO4)3:2H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Na4SiO4
+       Na4SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+
+        log_k           70.6449
+	-delta_H	-327.779	kJ/mol	# Calculated enthalpy of reaction	Na4SiO4
+#	Enthalpy of formation:	-497.8 kcal/mol
+        -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005
+#       -Range:  0-300
+
+Na4UO2(CO3)3
+       Na4UO2(CO3)3 +3.0000 H+  =  + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+
+        log_k           4.0395
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4UO2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Na6Si2O7
+       Na6Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+
+        log_k           101.6199
+	-delta_H	-471.951	kJ/mol	# Calculated enthalpy of reaction	Na6Si2O7
+#	Enthalpy of formation:	-856.3 kcal/mol
+        -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006
+#       -Range:  0-300
+
+NaBr
+       NaBr  =  + 1.0000 Br- + 1.0000 Na+
+        log_k           2.9739
+	-delta_H	-0.741032	kJ/mol	# Calculated enthalpy of reaction	NaBr
+#	Enthalpy of formation:	-361.062 kJ/mol
+        -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001
+#       -Range:  0-300
+
+NaBr:2H2O
+       NaBr:2H2O  =  + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O
+        log_k           2.1040
+	-delta_H	18.4883	kJ/mol	# Calculated enthalpy of reaction	NaBr:2H2O
+#	Enthalpy of formation:	-951.968 kJ/mol
+        -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001
+#       -Range:  0-200
+
+NaFeO2
+       NaFeO2 +4.0000 H+  =  + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O
+        log_k           19.8899
+	-delta_H	-163.339	kJ/mol	# Calculated enthalpy of reaction	NaFeO2
+#	Enthalpy of formation:	-698.218 kJ/mol
+        -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002
+#       -Range:  0-200
+
+NaNpO2CO3:3.5H2O
+       NaNpO2CO3:3.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O
+        log_k           -1.2342
+	-delta_H	27.0979	kJ/mol	# Calculated enthalpy of reaction	NaNpO2CO3:3.5H2O
+#	Enthalpy of formation:	-2935.76 kJ/mol
+        -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001
+#       -Range:  0-300
+
+NaTcO4
+       NaTcO4  =  + 1.0000 Na+ + 1.0000 TcO4-
+        log_k           1.5208
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaTcO4
+#	Enthalpy of formation:	0 kcal/mol
+
+NaUO3
+       NaUO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+
+        log_k           8.3371
+	-delta_H	-56.365	kJ/mol	# Calculated enthalpy of reaction	NaUO3
+#	Enthalpy of formation:	-1494.9 kJ/mol
+        -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001
+#       -Range:  0-300
+
+Nahcolite
+        NaHCO3  =  + 1.0000 HCO3- + 1.0000 Na+
+        log_k           -0.1118
+	-delta_H	17.0247	kJ/mol	# Calculated enthalpy of reaction	Nahcolite
+#	Enthalpy of formation:	-226.4 kcal/mol
+        -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001
+#       -Range:  0-300
+
+Nantokite
+        CuCl  =  + 1.0000 Cl- + 1.0000 Cu+
+        log_k           -6.7623
+	-delta_H	41.9296	kJ/mol	# Calculated enthalpy of reaction	Nantokite
+#	Enthalpy of formation:	-137.329 kJ/mol
+        -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001
+#       -Range:  0-200
+
+Natrolite
+        Na2Al2Si3O10:2H2O +8.0000 H+  =  + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           18.5204
+	-delta_H	-186.971	kJ/mol	# Calculated enthalpy of reaction	Natrolite
+#	Enthalpy of formation:	-5718.56 kJ/mol
+        -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005
+#       -Range:  0-300
+
+Natron
+        Na2CO3:10H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O
+        log_k           9.6102
+	-delta_H	50.4781	kJ/mol	# Calculated enthalpy of reaction	Natron
+#	Enthalpy of formation:	-4079.39 kJ/mol
+        -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001
+#       -Range:  0-300
+
+Natrosilite
+        Na2Si2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2
+        log_k           18.1337
+	-delta_H	-51.7686	kJ/mol	# Calculated enthalpy of reaction	Natrosilite
+#	Enthalpy of formation:	-590.36 kcal/mol
+        -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006
+#       -Range:  0-300
+
+Naumannite
+        Ag2Se  =  + 1.0000 Se-- + 2.0000 Ag+
+        log_k           -57.4427
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Naumannite
+#	Enthalpy of formation:	-37.441 kJ/mol
+        -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002
+#       -Range:  0-300
+
+Nd
+       Nd +3.0000 H+ +0.7500 O2  =  + 1.0000 Nd+++ + 1.5000 H2O
+        log_k           182.2233
+	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Nd
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005
+#       -Range:  0-300
+
+Nd(OH)3
+       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
+        log_k           18.0852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Nd(OH)3(am)
+       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
+        log_k           20.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Nd(OH)3(c)
+       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
+        log_k           15.7852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(c)
+#	Enthalpy of formation:	0 kcal/mol
+
+Nd2(CO3)3
+       Nd2(CO3)3 +3.0000 H+  =  + 2.0000 Nd+++ + 3.0000 HCO3-
+        log_k           -3.6636
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Nd2O3
+       Nd2O3 +6.0000 H+  =  + 2.0000 Nd+++ + 3.0000 H2O
+        log_k           58.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+NdF3:.5H2O
+       NdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F-
+        log_k           -18.6000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+NdOHCO3
+       NdOHCO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++
+        log_k           2.8239
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdOHCO3
+#	Enthalpy of formation:	0 kcal/mol
+
+NdPO4:10H2O
+       NdPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O
+        log_k           -12.1782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Nepheline
+        NaAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O
+        log_k           13.8006
+	-delta_H	-135.068	kJ/mol	# Calculated enthalpy of reaction	Nepheline
+#	Enthalpy of formation:	-500.241 kcal/mol
+        -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005
+#       -Range:  0-300
+
+Nesquehonite
+        MgCO3:3H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O
+        log_k           4.9955
+	-delta_H	-36.1498	kJ/mol	# Calculated enthalpy of reaction	Nesquehonite
+#	Enthalpy of formation:	-472.576 kcal/mol
+        -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006
+#       -Range:  0-300
+
+Ni
+       Ni +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ni++
+        log_k           50.9914
+	-delta_H	-333.745	kJ/mol	# Calculated enthalpy of reaction	Ni
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002
+#       -Range:  0-300
+
+Ni(OH)2
+       Ni(OH)2 +2.0000 H+  =  + 1.0000 Ni++ + 2.0000 H2O
+        log_k           12.7485
+	-delta_H	-95.6523	kJ/mol	# Calculated enthalpy of reaction	Ni(OH)2
+#	Enthalpy of formation:	-529.998 kJ/mol
+        -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002
+#       -Range:  0-200
+
+Ni2P2O7
+       Ni2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 Ni++
+        log_k           -8.8991
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2P2O7
+#	Enthalpy of formation:	0 kcal/mol
+
+Ni2SiO4
+       Ni2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++
+        log_k           14.3416
+	-delta_H	-127.629	kJ/mol	# Calculated enthalpy of reaction	Ni2SiO4
+#	Enthalpy of formation:	-341.705 kcal/mol
+        -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005
+#       -Range:  0-300
+
+Ni3(PO4)2
+       Ni3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ni++
+        log_k           -6.6414
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+NiCO3
+       NiCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Ni++
+        log_k           3.5118
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiCO3
+#	Enthalpy of formation:	0 kcal/mol
+
+NiCl2
+       NiCl2  =  + 1.0000 Ni++ + 2.0000 Cl-
+        log_k           8.6113
+	-delta_H	-82.7969	kJ/mol	# Calculated enthalpy of reaction	NiCl2
+#	Enthalpy of formation:	-305.336 kJ/mol
+        -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001
+#       -Range:  0-200
+
+NiCl2:2H2O
+       NiCl2:2H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           3.9327
+	-delta_H	-37.6746	kJ/mol	# Calculated enthalpy of reaction	NiCl2:2H2O
+#	Enthalpy of formation:	-922.135 kJ/mol
+        -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001
+#       -Range:  0-200
+
+NiCl2:4H2O
+       NiCl2:4H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O
+        log_k           3.8561
+	-delta_H	-15.4373	kJ/mol	# Calculated enthalpy of reaction	NiCl2:4H2O
+#	Enthalpy of formation:	-1516.05 kJ/mol
+        -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001
+#       -Range:  0-200
+
+NiF2
+       NiF2  =  + 1.0000 Ni++ + 2.0000 F-
+        log_k           0.8772
+	-delta_H	-73.1438	kJ/mol	# Calculated enthalpy of reaction	NiF2
+#	Enthalpy of formation:	-651.525 kJ/mol
+        -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002
+#       -Range:  0-300
+
+NiF2:4H2O
+       NiF2:4H2O  =  + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O
+        log_k           -4.0588
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiF2:4H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+NiSO4
+       NiSO4  =  + 1.0000 Ni++ + 1.0000 SO4--
+        log_k           5.3197
+	-delta_H	-90.5092	kJ/mol	# Calculated enthalpy of reaction	NiSO4
+#	Enthalpy of formation:	-873.066 kJ/mol
+        -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002
+#       -Range:  0-300
+
+NiSO4:6H2O(alpha)
+       NiSO4:6H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O
+        log_k           -2.0072
+	-delta_H	4.37983	kJ/mol	# Calculated enthalpy of reaction	NiSO4:6H2O(alpha)
+#	Enthalpy of formation:	-2682.99 kJ/mol
+        -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001
+#       -Range:  0-200
+
+Nickelbischofite
+        NiCl2:6H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O
+        log_k           3.1681
+	-delta_H	0.064088	kJ/mol	# Calculated enthalpy of reaction	Nickelbischofite
+#	Enthalpy of formation:	-2103.23 kJ/mol
+        -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001
+#       -Range:  0-200
+
+Ningyoite
+        CaUP2O8:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4--
+        log_k           -29.7931
+	-delta_H	-36.4769	kJ/mol	# Calculated enthalpy of reaction	Ningyoite
+#	Enthalpy of formation:	-1016.65 kcal/mol
+        -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001
+#       -Range:  0-200
+
+Niter
+        KNO3  =  + 1.0000 K+ + 1.0000 NO3-
+        log_k           -0.2061
+	-delta_H	35.4794	kJ/mol	# Calculated enthalpy of reaction	Niter
+#	Enthalpy of formation:	-494.46 kJ/mol
+        -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000
+#       -Range:  0-300
+
+Nitrobarite
+        Ba(NO3)2  =  + 1.0000 Ba++ + 2.0000 NO3-
+        log_k           -2.4523
+	-delta_H	40.8161	kJ/mol	# Calculated enthalpy of reaction	Nitrobarite
+#	Enthalpy of formation:	-992.082 kJ/mol
+        -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001
+#       -Range:  0-300
+
+Nontronite-Ca
+        Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           -11.5822
+	-delta_H	-38.138	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Ca
+#	Enthalpy of formation:	-1166.7 kcal/mol
+        -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006
+#       -Range:  0-300
+
+Nontronite-Cs
+        Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           5.7975
+	-delta_H	-86.6996	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Cs
+#	Enthalpy of formation:	-1168.54 kcal/mol
+        -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006
+#       -Range:  0-300
+
+Nontronite-H
+        H.33Fe2Al.33Si3.67H2O12 +6.9900 H+  =  + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           -12.5401
+	-delta_H	-30.452	kJ/mol	# Calculated enthalpy of reaction	Nontronite-H
+#	Enthalpy of formation:	-1147.12 kcal/mol
+        -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006
+#       -Range:  0-300
+
+Nontronite-K
+        K.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           -11.8648
+	-delta_H	-26.5822	kJ/mol	# Calculated enthalpy of reaction	Nontronite-K
+#	Enthalpy of formation:	-1167.93 kcal/mol
+        -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006
+#       -Range:  0-300
+
+Nontronite-Mg
+        Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           -11.6200
+	-delta_H	-41.1779	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Mg
+#	Enthalpy of formation:	-1162.93 kcal/mol
+        -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006
+#       -Range:  0-300
+
+Nontronite-Na
+        Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           -11.5263
+	-delta_H	-31.5687	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Na
+#	Enthalpy of formation:	-1165.8 kcal/mol
+        -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006
+#       -Range:  0-300
+
+Np
+       Np +4.0000 H+ +1.0000 O2  =  + 1.0000 Np++++ + 2.0000 H2O
+        log_k           174.1077
+	-delta_H	-1115.54	kJ/mol	# Calculated enthalpy of reaction	Np
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002
+#       -Range:  0-300
+
+Np(HPO4)2
+       Np(HPO4)2  =  + 1.0000 Np++++ + 2.0000 HPO4--
+        log_k           -30.9786
+	-delta_H	-18.6219	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
+#	Enthalpy of formation:	-3121.54 kJ/mol
+        -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002
+#       -Range:  0-300
+
+Np(OH)4
+       Np(OH)4 +4.0000 H+  =  + 1.0000 Np++++ + 4.0000 H2O
+        log_k           0.8103
+	-delta_H	-78.4963	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
+#	Enthalpy of formation:	-1620.86 kJ/mol
+        -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002
+#       -Range:  0-300
+
+Np2O5
+       Np2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 NpO2+
+        log_k           9.5000
+	-delta_H	-94.4576	kJ/mol	# Calculated enthalpy of reaction	Np2O5
+#	Enthalpy of formation:	-513.232 kcal/mol
+        -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003
+#       -Range: 25-150
+
+NpO2
+       NpO2 +4.0000 H+  =  + 1.0000 Np++++ + 2.0000 H2O
+        log_k           -7.8026
+	-delta_H	-53.6087	kJ/mol	# Calculated enthalpy of reaction	NpO2
+#	Enthalpy of formation:	-1074.07 kJ/mol
+        -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001
+#       -Range:  0-300
+
+NpO2(OH)2
+       NpO2(OH)2 +2.0000 H+  =  + 1.0000 NpO2++ + 2.0000 H2O
+        log_k           5.9851
+	-delta_H	-54.9977	kJ/mol	# Calculated enthalpy of reaction	NpO2(OH)2
+#	Enthalpy of formation:	-1377.16 kJ/mol
+        -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001
+#       -Range:  0-300
+
+NpO2OH(am)
+       NpO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 NpO2+
+        log_k           4.2364
+	-delta_H	-39.6673	kJ/mol	# Calculated enthalpy of reaction	NpO2OH(am)
+#	Enthalpy of formation:	-1224.16 kJ/mol
+        -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001
+#       -Range:  0-300
+
+Okenite
+        CaSi2O4(OH)2:H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
+        log_k           10.3816
+	-delta_H	-19.4974	kJ/mol	# Calculated enthalpy of reaction	Okenite
+#	Enthalpy of formation:	-749.641 kcal/mol
+        -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006
+#       -Range:  0-300
+
+Orpiment
+        As2S3 +6.0000 H2O  =  + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+
+        log_k           -79.4159
+	-delta_H	406.539	kJ/mol	# Calculated enthalpy of reaction	Orpiment
+#	Enthalpy of formation:	-169.423 kJ/mol
+        -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002
+#       -Range:  0-300
+
+Otavite
+        CdCO3 +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HCO3-
+        log_k           -1.7712
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
+#	Enthalpy of formation:	0 kcal/mol
+
+Ottemannite
+        Sn2S3 +3.0000 H+  =  + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS-
+        log_k           -46.2679
+	-delta_H	236.727	kJ/mol	# Calculated enthalpy of reaction	Ottemannite
+#	Enthalpy of formation:	-63 kcal/mol
+        -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002
+#       -Range:  0-200
+
+Oxychloride-Mg
+        Mg2Cl(OH)3:4H2O +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O
+        log_k           25.8319
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Oxychloride-Mg
+#	Enthalpy of formation:	0 kcal/mol
+
+P
+       P +1.5000 H2O +1.2500 O2  =  + 1.0000 HPO4-- + 2.0000 H+
+        log_k           132.1032
+	-delta_H	-848.157	kJ/mol	# Calculated enthalpy of reaction	P
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002
+#       -Range:  0-300
+
+Paragonite
+        NaAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           17.5220
+	-delta_H	-275.056	kJ/mol	# Calculated enthalpy of reaction	Paragonite
+#	Enthalpy of formation:	-1416.96 kcal/mol
+        -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005
+#       -Range:  0-300
+
+Paralaurionite
+        PbClOH +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++
+        log_k           0.2035
+	-delta_H	8.41948	kJ/mol	# Calculated enthalpy of reaction	Paralaurionite
+#	Enthalpy of formation:	-460.417 kJ/mol
+        -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000
+#       -Range:  0-200
+
+Pargasite
+        NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+  =  + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O
+        log_k           101.9939
+	-delta_H	-880.205	kJ/mol	# Calculated enthalpy of reaction	Pargasite
+#	Enthalpy of formation:	-3016.62 kcal/mol
+        -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006
+#       -Range:  0-300
+
+Parsonsite
+        Pb2UO2(PO4)2:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++
+        log_k           -27.7911
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Parsonsite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb
+       Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++
+        log_k           47.1871
+	-delta_H	-278.851	kJ/mol	# Calculated enthalpy of reaction	Pb
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002
+#       -Range:  0-300
+
+Pb(H2PO4)2
+       Pb(H2PO4)2  =  + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4--
+        log_k           -9.8400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(H2PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb(IO3)2
+       Pb(IO3)2  =  + 1.0000 Pb++ + 2.0000 IO3-
+        log_k           -12.5173
+	-delta_H	53.7783	kJ/mol	# Calculated enthalpy of reaction	Pb(IO3)2
+#	Enthalpy of formation:	-495.525 kJ/mol
+        -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001
+#       -Range:  0-200
+
+Pb(N3)2(mono)
+       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
+        log_k           -8.3583
+	-delta_H	72.9495	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(mono)
+#	Enthalpy of formation:	478.251 kJ/mol
+        -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002
+#       -Range:  0-200
+
+Pb(N3)2(orth)
+       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
+        log_k           -8.7963
+	-delta_H	75.0615	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(orth)
+#	Enthalpy of formation:	476.139 kJ/mol
+        -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002
+#       -Range:  0-200
+
+Pb(Thiocyanate)2
+       Pb(Thiocyanate)2  =  + 1.0000 Pb++ + 2.0000 Thiocyanate-
+        log_k           -0.0910
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
+#	Enthalpy of formation:	151.212 kJ/mol
+        -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005
+#       -Range:  0-200
+
+Pb2Cl2CO3
+       Pb2Cl2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
+        log_k           -9.6180
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2Cl2CO3
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb2Cl5NH4
+       Pb2Cl5NH4  =  + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl-
+        log_k           -19.6100
+	-delta_H	119.617	kJ/mol	# Calculated enthalpy of reaction	Pb2Cl5NH4
+#	Enthalpy of formation:	-1034.51 kJ/mol
+        -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002
+#       -Range:  0-200
+
+Pb2O(N3)2
+       Pb2O(N3)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++
+        log_k           -13.7066
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2O(N3)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb2SiO4
+       Pb2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++
+        log_k           18.0370
+	-delta_H	-83.9883	kJ/mol	# Calculated enthalpy of reaction	Pb2SiO4
+#	Enthalpy of formation:	-1363.55 kJ/mol
+        -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001
+#       -Range:  0-200
+
+Pb3(PO4)2
+       Pb3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Pb++
+        log_k           -19.9744
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb3SO6
+       Pb3SO6 +4.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++
+        log_k           10.5981
+	-delta_H	-79.3438	kJ/mol	# Calculated enthalpy of reaction	Pb3SO6
+#	Enthalpy of formation:	-1399.17 kJ/mol
+        -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001
+#       -Range:  0-200
+
+Pb4Cl2(OH)6
+       Pb4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O
+        log_k           17.2793
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4Cl2(OH)6
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb4O(PO4)2
+       Pb4O(PO4)2 +4.0000 H+  =  + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++
+        log_k           -12.5727
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4O(PO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Pb4SO7
+       Pb4SO7 +6.0000 H+  =  + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++
+        log_k           21.7354
+	-delta_H	-136.566	kJ/mol	# Calculated enthalpy of reaction	Pb4SO7
+#	Enthalpy of formation:	-1626.87 kJ/mol
+        -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002
+#       -Range:  0-200
+
+PbBr2
+       PbBr2  =  + 1.0000 Pb++ + 2.0000 Br-
+        log_k           -5.2413
+	-delta_H	36.3838	kJ/mol	# Calculated enthalpy of reaction	PbBr2
+#	Enthalpy of formation:	-278.47 kJ/mol
+        -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001
+#       -Range:  0-200
+
+PbBrF
+       PbBrF  =  + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++
+        log_k           -8.0418
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrF
+#	Enthalpy of formation:	0 kcal/mol
+
+PbCO3.PbO
+       PbCO3.PbO +3.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++
+        log_k           9.6711
+	-delta_H	-55.4286	kJ/mol	# Calculated enthalpy of reaction	PbCO3.PbO
+#	Enthalpy of formation:	-918.502 kJ/mol
+        -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001
+#       -Range:  0-200
+
+PbF2
+       PbF2  =  + 1.0000 Pb++ + 2.0000 F-
+        log_k           -5.2047
+	-delta_H	-5.83772	kJ/mol	# Calculated enthalpy of reaction	PbF2
+#	Enthalpy of formation:	-663.937 kJ/mol
+        -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001
+#       -Range:  0-300
+
+PbFCl
+       PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
+        log_k           -8.9820
+	-delta_H	33.1852	kJ/mol	# Calculated enthalpy of reaction	PbFCl
+#	Enthalpy of formation:	-534.692 kJ/mol
+        -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001
+#       -Range:  0-200
+
+PbHPO4
+       PbHPO4  =  + 1.0000 HPO4-- + 1.0000 Pb++
+        log_k           -15.7275
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+#	Enthalpy of formation:	0 kcal/mol
+
+PbI2
+       PbI2  =  + 1.0000 Pb++ + 2.0000 I-
+        log_k           -8.0418
+	-delta_H	62.5717	kJ/mol	# Calculated enthalpy of reaction	PbI2
+#	Enthalpy of formation:	-175.456 kJ/mol
+        -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+PbSO4(NH3)2
+       PbSO4(NH3)2  =  + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3
+        log_k           -2.0213
+	-delta_H	28.284	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)2
+#	Enthalpy of formation:	-1099.64 kJ/mol
+        -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001
+#       -Range:  0-200
+
+PbSO4(NH3)4
+       PbSO4(NH3)4  =  + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3
+        log_k           1.5024
+	-delta_H	31.155	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)4
+#	Enthalpy of formation:	-1265.18 kJ/mol
+        -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000
+#       -Range:  0-200
+
+PbSeO4
+       PbSeO4  =  + 1.0000 Pb++ + 1.0000 SeO4--
+        log_k           -6.9372
+	-delta_H	10.8967	kJ/mol	# Calculated enthalpy of reaction	PbSeO4
+#	Enthalpy of formation:	-609.125 kJ/mol
+        -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001
+#       -Range:  0-200
+
+Pd
+       Pd +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pd++
+        log_k           12.0688
+	-delta_H	-103.709	kJ/mol	# Calculated enthalpy of reaction	Pd
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002
+#       -Range:  0-300
+
+PdO
+       PdO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pd++
+        log_k           0.0643
+	-delta_H	-24.422	kJ/mol	# Calculated enthalpy of reaction	PdO
+#	Enthalpy of formation:	-20.4 kcal/mol
+        -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001
+#       -Range:  0-300
+
+Penroseite
+        NiSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se--
+        log_k           -98.8004
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Penroseite
+#	Enthalpy of formation:	-26 kcal/mol
+        -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002
+#       -Range:  0-300
+
+Pentahydrite
+        MgSO4:5H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O
+        log_k           -1.3872
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pentahydrite
+#	Enthalpy of formation:	0 kcal/mol
+
+Periclase
+        MgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++
+        log_k           21.3354
+	-delta_H	-150.139	kJ/mol	# Calculated enthalpy of reaction	Periclase
+#	Enthalpy of formation:	-143.8 kcal/mol
+        -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002
+#       -Range:  0-300
+
+Petalite
+        LiAlSi4O10 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2
+        log_k           -3.8153
+	-delta_H	-13.1739	kJ/mol	# Calculated enthalpy of reaction	Petalite
+#	Enthalpy of formation:	-4886.15 kJ/mol
+        -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006
+#       -Range:  0-300
+
+Phlogopite
+        KAlMg3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           37.4400
+	-delta_H	-310.503	kJ/mol	# Calculated enthalpy of reaction	Phlogopite
+#	Enthalpy of formation:	-1488.07 kcal/mol
+        -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005
+#       -Range:  0-300
+
+Phosgenite
+        Pb2(CO3)Cl2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
+        log_k           -9.6355
+	-delta_H	49.0844	kJ/mol	# Calculated enthalpy of reaction	Phosgenite
+#	Enthalpy of formation:	-1071.34 kJ/mol
+        -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001
+#       -Range:  0-200
+
+Picromerite
+        K2Mg(SO4)2:6H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O
+        log_k           -4.4396
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Picromerite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pirssonite
+        Na2Ca(CO3)2:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+
+        log_k           11.3230
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pirssonite
+#	Enthalpy of formation:	0 kcal/mol
+
+Plattnerite
+        PbO2 +4.0000 H+  =  + 1.0000 Pb++++ + 2.0000 H2O
+        log_k           -7.9661
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plattnerite
+#	Enthalpy of formation:	-277.363 kJ/mol
+
+Plumbogummite
+        PbAl3(PO4)2(OH)5:H2O +7.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O
+        log_k           -8.1463
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plumbogummite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pm
+       Pm +3.0000 H+ +0.7500 O2  =  + 1.0000 Pm+++ + 1.5000 H2O
+        log_k           180.6737
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm
+#	Enthalpy of formation:	0 kcal/mol
+
+Pm(OH)3
+       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
+        log_k           17.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Pm(OH)3(am)
+       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
+        log_k           18.2852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Pm2(CO3)3
+       Pm2(CO3)3 +3.0000 H+  =  + 2.0000 Pm+++ + 3.0000 HCO3-
+        log_k           -3.5636
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Pm2O3
+       Pm2O3 +6.0000 H+  =  + 2.0000 Pm+++ + 3.0000 H2O
+        log_k           48.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+PmF3:.5H2O
+       PmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F-
+        log_k           -18.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+PmPO4:10H2O
+       PmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O
+        log_k           -12.1782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Polydymite
+        Ni3S4 +2.0000 H+  =  + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++
+        log_k           -48.9062
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polydymite
+#	Enthalpy of formation:	-78.014 kcal/mol
+        -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002
+#       -Range:  0-200
+
+Polyhalite
+        K2MgCa2(SO4)4:2H2O  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4--
+        log_k           -14.3124
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polyhalite
+#	Enthalpy of formation:	0 kcal/mol
+
+Portlandite
+        Ca(OH)2 +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O
+        log_k           22.5552
+	-delta_H	-128.686	kJ/mol	# Calculated enthalpy of reaction	Portlandite
+#	Enthalpy of formation:	-986.074 kJ/mol
+        -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002
+#       -Range:  0-300
+
+Pr
+       Pr +3.0000 H+ +0.7500 O2  =  + 1.0000 Pr+++ + 1.5000 H2O
+        log_k           183.6893
+	-delta_H	-1125.92	kJ/mol	# Calculated enthalpy of reaction	Pr
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006
+#       -Range:  0-300
+
+Pr(OH)3
+       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
+        log_k           19.5852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Pr(OH)3(am)
+       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
+        log_k           21.0852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Pr2(CO3)3
+       Pr2(CO3)3 +3.0000 H+  =  + 2.0000 Pr+++ + 3.0000 HCO3-
+        log_k           -3.8136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Pr2O3
+       Pr2O3 +6.0000 H+  =  + 2.0000 Pr+++ + 3.0000 H2O
+        log_k           61.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+PrF3:.5H2O
+       PrF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F-
+        log_k           -18.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+PrPO4:10H2O
+       PrPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O
+        log_k           -12.2782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Prehnite
+        Ca2Al2Si3O10(OH)2 +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
+        log_k           32.9305
+	-delta_H	-311.875	kJ/mol	# Calculated enthalpy of reaction	Prehnite
+#	Enthalpy of formation:	-1481.65 kcal/mol
+        -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005
+#       -Range:  0-300
+
+Przhevalskite
+        Pb(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -20.0403
+	-delta_H	-71.1058	kJ/mol	# Calculated enthalpy of reaction	Przhevalskite
+#	Enthalpy of formation:	-1087.51 kcal/mol
+        -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001
+#       -Range:  0-200
+
+Pseudowollastonite
+        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
+        log_k           13.9997
+	-delta_H	-79.4625	kJ/mol	# Calculated enthalpy of reaction	Pseudowollastonite
+#	Enthalpy of formation:	-388.9 kcal/mol
+        -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005
+#       -Range:  0-300
+
+Pu
+       Pu +4.0000 H+ +1.0000 O2  =  + 1.0000 Pu++++ + 2.0000 H2O
+        log_k           170.3761
+	-delta_H	-1095.44	kJ/mol	# Calculated enthalpy of reaction	Pu
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005
+#       -Range:  0-300
+
+Pu(HPO4)2
+       Pu(HPO4)2  =  + 1.0000 Pu++++ + 2.0000 HPO4--
+        log_k           -27.7025
+	-delta_H	-33.4449	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
+#	Enthalpy of formation:	-3086.61 kJ/mol
+        -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002
+#       -Range:  0-300
+
+Pu(OH)3
+       Pu(OH)3 +3.0000 H+  =  + 1.0000 Pu+++ + 3.0000 H2O
+        log_k           22.4499
+	-delta_H	-148.067	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3
+#	Enthalpy of formation:	-1301 kJ/mol
+        -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002
+#       -Range:  0-300
+
+Pu(OH)4
+       Pu(OH)4 +4.0000 H+  =  + 1.0000 Pu++++ + 4.0000 H2O
+        log_k           0.7578
+	-delta_H	-68.6543	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
+#	Enthalpy of formation:	-1610.59 kJ/mol
+        -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002
+#       -Range:  0-300
+
+Pu2O3
+       Pu2O3 +6.0000 H+  =  + 2.0000 Pu+++ + 3.0000 H2O
+        log_k           48.1332
+	-delta_H	-360.26	kJ/mol	# Calculated enthalpy of reaction	Pu2O3
+#	Enthalpy of formation:	-1680.36 kJ/mol
+        -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002
+#       -Range:  0-300
+
+PuF3
+       PuF3  =  + 1.0000 Pu+++ + 3.0000 F-
+        log_k           -10.1872
+	-delta_H	-46.2608	kJ/mol	# Calculated enthalpy of reaction	PuF3
+#	Enthalpy of formation:	-1551.33 kJ/mol
+        -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002
+#       -Range:  0-300
+
+PuF4
+       PuF4  =  + 1.0000 Pu++++ + 4.0000 F-
+        log_k           -13.2091
+	-delta_H	-100.039	kJ/mol	# Calculated enthalpy of reaction	PuF4
+#	Enthalpy of formation:	-1777.24 kJ/mol
+        -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002
+#       -Range:  0-300
+
+PuO2
+       PuO2 +4.0000 H+  =  + 1.0000 Pu++++ + 2.0000 H2O
+        log_k           -7.3646
+	-delta_H	-51.8827	kJ/mol	# Calculated enthalpy of reaction	PuO2
+#	Enthalpy of formation:	-1055.69 kJ/mol
+        -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001
+#       -Range:  0-300
+
+PuO2(OH)2
+       PuO2(OH)2 +2.0000 H+  =  + 1.0000 PuO2++ + 2.0000 H2O
+        log_k           3.5499
+	-delta_H	-35.7307	kJ/mol	# Calculated enthalpy of reaction	PuO2(OH)2
+#	Enthalpy of formation:	-1357.52 kJ/mol
+        -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001
+#       -Range:  0-300
+
+PuO2HPO4
+       PuO2HPO4  =  + 1.0000 HPO4-- + 1.0000 PuO2++
+        log_k           -12.6074
+	-delta_H	-10.108	kJ/mol	# Calculated enthalpy of reaction	PuO2HPO4
+#	Enthalpy of formation:	-2103.55 kJ/mol
+        -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001
+#       -Range:  0-300
+
+PuO2OH(am)
+       PuO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 PuO2+
+        log_k           5.4628
+	-delta_H	-42.4933	kJ/mol	# Calculated enthalpy of reaction	PuO2OH(am)
+#	Enthalpy of formation:	-1157.53 kJ/mol
+        -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001
+#       -Range:  0-300
+
+Pyrite
+        FeS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS-
+        log_k           -24.6534
+	-delta_H	109.535	kJ/mol	# Calculated enthalpy of reaction	Pyrite
+#	Enthalpy of formation:	-41 kcal/mol
+        -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000
+#       -Range:  0-300
+
+Pyrolusite
+        MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
+        log_k           -17.6439
+	-delta_H	83.3804	kJ/mol	# Calculated enthalpy of reaction	Pyrolusite
+#	Enthalpy of formation:	-520.031 kJ/mol
+        -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001
+#       -Range:  0-300
+
+Pyromorphite
+        Pb5(PO4)3Cl +3.0000 H+  =  + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++
+        log_k           -47.8954
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyromorphite-OH
+        Pb5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++
+        log_k           -26.2653
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
+#	Enthalpy of formation:	0 kcal/mol
+
+Pyrophyllite
+        Al2Si4O10(OH)2 +6.0000 H+  =  + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           0.4397
+	-delta_H	-102.161	kJ/mol	# Calculated enthalpy of reaction	Pyrophyllite
+#	Enthalpy of formation:	-1345.31 kcal/mol
+        -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006
+#       -Range:  0-300
+
+Pyrrhotite
+        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
+        log_k           -3.7193
+	-delta_H	-7.9496	kJ/mol	# Calculated enthalpy of reaction	Pyrrhotite
+#	Enthalpy of formation:	-24 kcal/mol
+        -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001
+#       -Range:  0-300
+
+Quartz
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.9993
+	-delta_H	32.949	kJ/mol	# Calculated enthalpy of reaction	Quartz
+#	Enthalpy of formation:	-217.65 kcal/mol
+        -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005
+#       -Range:  0-300
+
+Ra
+       Ra +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ra++
+        log_k           141.3711
+	-delta_H	-807.374	kJ/mol	# Calculated enthalpy of reaction	Ra
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002
+#       -Range:  0-200
+
+Ra(NO3)2
+       Ra(NO3)2  =  + 1.0000 Ra++ + 2.0000 NO3-
+        log_k           -2.2419
+	-delta_H	50.4817	kJ/mol	# Calculated enthalpy of reaction	Ra(NO3)2
+#	Enthalpy of formation:	-991.706 kJ/mol
+        -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001
+#       -Range:  0-200
+
+RaCl2:2H2O
+       RaCl2:2H2O  =  + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           -0.7647
+	-delta_H	32.6266	kJ/mol	# Calculated enthalpy of reaction	RaCl2:2H2O
+#	Enthalpy of formation:	-1466.07 kJ/mol
+        -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001
+#       -Range:  0-200
+
+RaSO4
+       RaSO4  =  + 1.0000 Ra++ + 1.0000 SO4--
+        log_k           -10.4499
+	-delta_H	40.309	kJ/mol	# Calculated enthalpy of reaction	RaSO4
+#	Enthalpy of formation:	-1477.51 kJ/mol
+        -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001
+#       -Range:  0-200
+
+Rankinite
+        Ca3Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
+        log_k           51.9078
+	-delta_H	-302.089	kJ/mol	# Calculated enthalpy of reaction	Rankinite
+#	Enthalpy of formation:	-941.7 kcal/mol
+        -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005
+#       -Range:  0-300
+
+Rb
+       Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+
+        log_k           71.1987
+	-delta_H	-391.009	kJ/mol	# Calculated enthalpy of reaction	Rb
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002
+#       -Range:  0-300
+
+Rb2UO4
+       Rb2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+
+        log_k           34.0089
+	-delta_H	-170.224	kJ/mol	# Calculated enthalpy of reaction	Rb2UO4
+#	Enthalpy of formation:	-1922.7 kJ/mol
+        -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002
+#       -Range:  0-200
+
+Re
+       Re +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 ReO4-
+        log_k           105.9749
+	-delta_H	-623.276	kJ/mol	# Calculated enthalpy of reaction	Re
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-300
+
+Realgar
+        AsS +2.0000 H2O  =  + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+
+        log_k           -60.2768
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Realgar
+#	Enthalpy of formation:	-71.406 kJ/mol
+
+Rhodochrosite
+        MnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mn++
+        log_k           -0.1928
+	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
+#	Enthalpy of formation:	-212.521 kcal/mol
+        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
+#       -Range:  0-300
+
+Rhodonite
+        MnSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2
+        log_k           9.7301
+	-delta_H	-64.7121	kJ/mol	# Calculated enthalpy of reaction	Rhodonite
+#	Enthalpy of formation:	-1319.42 kJ/mol
+        -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005
+#       -Range:  0-300
+
+Ripidolite-14A
+        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
+        log_k           60.9638
+	-delta_H	-572.472	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-14A
+#	Enthalpy of formation:	-1947.87 kcal/mol
+        -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002
+#       -Range:  0-300
+
+Ripidolite-7A
+        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
+        log_k           64.3371
+	-delta_H	-586.325	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-7A
+#	Enthalpy of formation:	-1944.56 kcal/mol
+        -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002
+#       -Range:  0-300
+
+Romarchite
+        SnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sn++
+        log_k           1.3625
+	-delta_H	-8.69017	kJ/mol	# Calculated enthalpy of reaction	Romarchite
+#	Enthalpy of formation:	-68.34 kcal/mol
+        -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001
+#       -Range:  0-300
+
+Ru
+       Ru +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ru++
+        log_k           16.6701
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru
+#	Enthalpy of formation:	0 kJ/mol
+
+Ru(OH)3:H2O(am)
+       Ru(OH)3:H2O +3.0000 H+  =  + 1.0000 Ru+++ + 4.0000 H2O
+        log_k           1.6338
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)3:H2O(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+RuBr3
+       RuBr3  =  + 1.0000 Ru+++ + 3.0000 Br-
+        log_k           3.1479
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuBr3
+#	Enthalpy of formation:	-147.76 kJ/mol
+
+RuCl3
+       RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-
+        log_k           10.8215
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3
+#	Enthalpy of formation:	-221.291 kJ/mol
+
+RuI3
+       RuI3  =  + 1.0000 Ru+++ + 3.0000 I-
+        log_k           -12.4614
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuI3
+#	Enthalpy of formation:	-58.425 kJ/mol
+
+RuO2
+       RuO2 +2.0000 H+  =  + 1.0000 Ru(OH)2++
+        log_k           -5.4835
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2
+#	Enthalpy of formation:	-307.233 kJ/mol
+
+RuO2:2H2O(am)
+       RuO2:2H2O +2.0000 H+  =  + 1.0000 Ru(OH)2++ + 2.0000 H2O
+        log_k           0.9045
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2:2H2O(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+RuO4
+       RuO4  =  + 1.0000 RuO4
+        log_k           -0.9636
+	-delta_H	6.305	kJ/mol	# Calculated enthalpy of reaction	RuO4
+#	Enthalpy of formation:	-244.447 kJ/mol
+
+RuSe2
+       RuSe2 +2.0000 H2O  =  + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se--
+        log_k           -113.7236
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSe2
+#	Enthalpy of formation:	-146.274 kJ/mol
+
+Rutherfordine
+        UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
+        log_k           -4.1064
+	-delta_H	-19.4032	kJ/mol	# Calculated enthalpy of reaction	Rutherfordine
+#	Enthalpy of formation:	-1689.53 kJ/mol
+        -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001
+#       -Range:  0-300
+
+Rutile
+        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
+        log_k           -9.6452
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Rutile
+#	Enthalpy of formation:	-226.107 kcal/mol
+
+S
+       S +1.0000 H2O  =  + 0.5000 O2 + 1.0000 H+ + 1.0000 HS-
+        log_k           -45.0980
+	-delta_H	263.663	kJ/mol	# Calculated enthalpy of reaction	S
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002
+#       -Range:  0-300
+
+Safflorite
+        CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3-
+        log_k           -3.6419
+	-delta_H	-52.7226	kJ/mol	# Calculated enthalpy of reaction	Safflorite
+#	Enthalpy of formation:	-23.087 kcal/mol
+
+Saleeite
+        Mg(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -19.4575
+	-delta_H	-110.816	kJ/mol	# Calculated enthalpy of reaction	Saleeite
+#	Enthalpy of formation:	-1189.61 kcal/mol
+        -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001
+#       -Range:  0-200
+
+Sanbornite
+        BaSi2O5 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2
+        log_k           9.4753
+	-delta_H	-31.0845	kJ/mol	# Calculated enthalpy of reaction	Sanbornite
+#	Enthalpy of formation:	-2547.8 kJ/mol
+        -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006
+#       -Range:  0-300
+
+Sanidine_high
+        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
+        log_k           0.9239
+	-delta_H	-35.0284	kJ/mol	# Calculated enthalpy of reaction	Sanidine_high
+#	Enthalpy of formation:	-946.538 kcal/mol
+        -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006
+#       -Range:  0-300
+
+Saponite-Ca
+        Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           26.2900
+	-delta_H	-207.971	kJ/mol	# Calculated enthalpy of reaction	Saponite-Ca
+#	Enthalpy of formation:	-1436.51 kcal/mol
+        -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006
+#       -Range:  0-300
+
+Saponite-Cs
+        Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           25.8528
+	-delta_H	-195.407	kJ/mol	# Calculated enthalpy of reaction	Saponite-Cs
+#	Enthalpy of formation:	-1438.44 kcal/mol
+        -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006
+#       -Range:  0-300
+
+Saponite-H
+        H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+  =  + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           25.3321
+	-delta_H	-200.235	kJ/mol	# Calculated enthalpy of reaction	Saponite-H
+#	Enthalpy of formation:	-1416.94 kcal/mol
+        -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006
+#       -Range:  0-300
+
+Saponite-K
+        K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           26.0075
+	-delta_H	-196.402	kJ/mol	# Calculated enthalpy of reaction	Saponite-K
+#	Enthalpy of formation:	-1437.74 kcal/mol
+        -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006
+#       -Range:  0-300
+
+Saponite-Mg
+        Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           26.2523
+	-delta_H	-210.822	kJ/mol	# Calculated enthalpy of reaction	Saponite-Mg
+#	Enthalpy of formation:	-1432.79 kcal/mol
+        -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006
+#       -Range:  0-300
+
+Saponite-Na
+        Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
+        log_k           26.3459
+	-delta_H	-201.401	kJ/mol	# Calculated enthalpy of reaction	Saponite-Na
+#	Enthalpy of formation:	-1435.61 kcal/mol
+        -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006
+#       -Range:  0-300
+
+Sb
+       Sb +1.5000 H2O +0.7500 O2  =  + 1.0000 Sb(OH)3
+        log_k           52.7918
+	-delta_H	-335.931	kJ/mol	# Calculated enthalpy of reaction	Sb
+#	Enthalpy of formation:	0 kJ/mol
+
+Sb(OH)3
+       Sb(OH)3  =  + 1.0000 Sb(OH)3
+        log_k           -7.0953
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Sb2O3
+       Sb2O3 +3.0000 H2O  =  + 2.0000 Sb(OH)3
+        log_k           -8.9600
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2O3
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-300
+
+Sb2O4
+       Sb2O4 +3.0000 H2O  =  + 0.5000 O2 + 2.0000 Sb(OH)3
+        log_k           -39.6139
+	-delta_H	211.121	kJ/mol	# Calculated enthalpy of reaction	Sb2O4
+#	Enthalpy of formation:	-907.251 kJ/mol
+
+Sb2O5
+       Sb2O5 +3.0000 H2O  =  + 1.0000 O2 + 2.0000 Sb(OH)3
+        log_k           -46.9320
+	-delta_H	269.763	kJ/mol	# Calculated enthalpy of reaction	Sb2O5
+#	Enthalpy of formation:	-971.96 kJ/mol
+
+Sb4O6(cubic)
+       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
+        log_k           -19.6896
+	-delta_H	59.898	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(cubic)
+#	Enthalpy of formation:	-1440.02 kJ/mol
+
+Sb4O6(orthorhombic)
+       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
+        log_k           -17.0442
+	-delta_H	37.314	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(orthorhombic)
+#	Enthalpy of formation:	-1417.44 kJ/mol
+
+SbBr3
+       SbBr3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+
+        log_k           1.0554
+	-delta_H	-21.5871	kJ/mol	# Calculated enthalpy of reaction	SbBr3
+#	Enthalpy of formation:	-259.197 kJ/mol
+
+SbCl3
+       SbCl3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+
+        log_k           0.5878
+	-delta_H	-35.393	kJ/mol	# Calculated enthalpy of reaction	SbCl3
+#	Enthalpy of formation:	-382.12 kJ/mol
+
+Sc
+       Sc +3.0000 H+ +0.7500 O2  =  + 1.0000 Sc+++ + 1.5000 H2O
+        log_k           167.2700
+	-delta_H	-1033.87	kJ/mol	# Calculated enthalpy of reaction	Sc
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002
+#       -Range:  0-300
+
+Scacchite
+        MnCl2  =  + 1.0000 Mn++ + 2.0000 Cl-
+        log_k           8.7785
+	-delta_H	-73.4546	kJ/mol	# Calculated enthalpy of reaction	Scacchite
+#	Enthalpy of formation:	-481.302 kJ/mol
+        -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002
+#       -Range:  0-300
+
+Schoepite
+        UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
+        log_k           4.8333
+	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	Schoepite
+#	Enthalpy of formation:	-1826.1 kJ/mol
+        -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001
+#       -Range:  0-300
+
+Schoepite-dehy(.393)
+        UO3:.393H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.3930 H2O
+        log_k           6.7243
+	-delta_H	-69.2728	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.393)
+#	Enthalpy of formation:	-1347.9 kJ/mol
+        -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001
+#       -Range:  0-200
+
+Schoepite-dehy(.648)
+        UO3:.648H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.6480 H2O
+        log_k           6.2063
+	-delta_H	-65.4616	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.648)
+#	Enthalpy of formation:	-1424.6 kJ/mol
+        -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001
+#       -Range:  0-200
+
+Schoepite-dehy(.85)
+        UO3:.85H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.8500 H2O
+        log_k           5.0970
+	-delta_H	-56.4009	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.85)
+#	Enthalpy of formation:	-1491.4 kJ/mol
+        -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001
+#       -Range:  0-200
+
+Schoepite-dehy(.9)
+        UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
+        log_k           5.0167
+	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.9)
+#	Enthalpy of formation:	-1506.3 kJ/mol
+        -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001
+#       -Range:  0-300
+
+Schoepite-dehy(1.0)
+        UO3:H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
+        log_k           5.1031
+	-delta_H	-57.4767	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(1.0)
+#	Enthalpy of formation:	-1533.2 kJ/mol
+        -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001
+#       -Range:  0-200
+
+Scolecite
+        CaAl2Si3O10:3H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
+        log_k           15.8767
+	-delta_H	-204.93	kJ/mol	# Calculated enthalpy of reaction	Scolecite
+#	Enthalpy of formation:	-6048.92 kJ/mol
+        -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005
+#       -Range:  0-300
+
+Se
+       Se +1.0000 H2O +1.0000 O2  =  + 1.0000 SeO3-- + 2.0000 H+
+        log_k           26.1436
+	-delta_H	-211.221	kJ/mol	# Calculated enthalpy of reaction	Se
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002
+#       -Range:  0-300
+
+Se2O5
+       Se2O5 +2.0000 H2O  =  + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+
+        log_k           9.5047
+	-delta_H	-123.286	kJ/mol	# Calculated enthalpy of reaction	Se2O5
+#	Enthalpy of formation:	-98.8 kcal/mol
+        -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000
+#       -Range:  0-200
+
+SeCl4
+       SeCl4 +3.0000 H2O  =  + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+
+        log_k           14.4361
+	-delta_H	-131.298	kJ/mol	# Calculated enthalpy of reaction	SeCl4
+#	Enthalpy of formation:	-45.1 kcal/mol
+        -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002
+#       -Range:  0-300
+
+SeO3
+       SeO3 +1.0000 H2O  =  + 1.0000 SeO4-- + 2.0000 H+
+        log_k           19.2015
+	-delta_H	-143.022	kJ/mol	# Calculated enthalpy of reaction	SeO3
+#	Enthalpy of formation:	-40.7 kcal/mol
+        -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002
+#       -Range:  0-300
+
+Sellaite
+        MgF2  =  + 1.0000 Mg++ + 2.0000 F-
+        log_k           -9.3843
+	-delta_H	-12.4547	kJ/mol	# Calculated enthalpy of reaction	Sellaite
+#	Enthalpy of formation:	-1124.2 kJ/mol
+        -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002
+#       -Range:  0-300
+
+Sepiolite
+        Mg4Si6O15(OH)2:6H2O +8.0000 H+  =  + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O
+        log_k           30.4439
+	-delta_H	-157.339	kJ/mol	# Calculated enthalpy of reaction	Sepiolite
+#	Enthalpy of formation:	-2418 kcal/mol
+        -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006
+#       -Range:  0-300
+
+Shcherbinaite
+        V2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 VO2+
+        log_k           -1.4520
+	-delta_H	-34.7917	kJ/mol	# Calculated enthalpy of reaction	Shcherbinaite
+#	Enthalpy of formation:	-1550.6 kJ/mol
+        -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002
+#       -Range:  0-300
+
+Si
+       Si +1.0000 O2  =  + 1.0000 SiO2
+        log_k           148.9059
+	-delta_H	-865.565	kJ/mol	# Calculated enthalpy of reaction	Si
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006
+#       -Range:  0-300
+
+SiO2(am)
+       SiO2  =  + 1.0000 SiO2
+        log_k           -2.7136
+	-delta_H	20.0539	kJ/mol	# Calculated enthalpy of reaction	SiO2(am)
+#	Enthalpy of formation:	-214.568 kcal/mol
+        -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005
+#       -Range:  0-300
+
+Siderite
+        FeCO3 +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HCO3-
+        log_k           -0.1920
+	-delta_H	-32.5306	kJ/mol	# Calculated enthalpy of reaction	Siderite
+#	Enthalpy of formation:	-179.173 kcal/mol
+        -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001
+#       -Range:  0-300
+
+Sillimanite
+        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
+        log_k           16.3080
+	-delta_H	-238.442	kJ/mol	# Calculated enthalpy of reaction	Sillimanite
+#	Enthalpy of formation:	-615.099 kcal/mol
+        -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002
+#       -Range:  0-300
+
+Sklodowskite
+        Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O
+        log_k           13.7915
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sklodowskite
+#	Enthalpy of formation:	0 kcal/mol
+
+Sm
+       Sm +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sm++
+        log_k           133.1614
+	-delta_H	-783.944	kJ/mol	# Calculated enthalpy of reaction	Sm
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002
+#       -Range:  0-300
+
+Sm(OH)3
+       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
+        log_k           16.4852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Sm(OH)3(am)
+       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
+        log_k           18.5852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Sm2(CO3)3
+       Sm2(CO3)3 +3.0000 H+  =  + 2.0000 Sm+++ + 3.0000 HCO3-
+        log_k           -3.5136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Sm2(SO4)3
+       Sm2(SO4)3  =  + 2.0000 Sm+++ + 3.0000 SO4--
+        log_k           -9.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(SO4)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Sm2O3
+       Sm2O3 +6.0000 H+  =  + 2.0000 Sm+++ + 3.0000 H2O
+        log_k           42.9000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+SmF3:.5H2O
+       SmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F-
+        log_k           -17.5000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+SmPO4:10H2O
+       SmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O
+        log_k           -12.1782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Smectite-high-Fe-Mg
+#        Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
+        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O 
+        log_k           17.4200
+	-delta_H	-199.841	kJ/mol	# Calculated enthalpy of reaction	Smectite-high-Fe-Mg
+#	Enthalpy of formation:	-1351.39 kcal/mol
+        -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006
+#       -Range:  0-300
+
+Smectite-low-Fe-Mg
+#        Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
+        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O 
+        log_k           11.0405
+	-delta_H	-144.774	kJ/mol	# Calculated enthalpy of reaction	Smectite-low-Fe-Mg
+#	Enthalpy of formation:	-1352.12 kcal/mol
+        -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006
+#       -Range:  0-300
+
+Smithsonite
+        ZnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Zn++
+        log_k           0.4633
+	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
+#	Enthalpy of formation:	-194.26 kcal/mol
+        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
+#       -Range:  0-300
+
+Sn
+       Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++
+        log_k           47.8615
+	-delta_H	-288.558	kJ/mol	# Calculated enthalpy of reaction	Sn
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005
+#       -Range:  0-300
+
+Sn(OH)2
+       Sn(OH)2 +2.0000 H+  =  + 1.0000 Sn++ + 2.0000 H2O
+        log_k           1.8400
+	-delta_H	-19.6891	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
+#	Enthalpy of formation:	-560.774 kJ/mol
+        -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001
+#       -Range:  0-200
+
+Sn(SO4)2
+       Sn(SO4)2  =  + 1.0000 Sn++++ + 2.0000 SO4--
+        log_k           16.0365
+	-delta_H	-159.707	kJ/mol	# Calculated enthalpy of reaction	Sn(SO4)2
+#	Enthalpy of formation:	-389.4 kcal/mol
+        -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001
+#       -Range:  0-200
+
+Sn3S4
+       Sn3S4 +4.0000 H+  =  + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS-
+        log_k           -61.9790
+	-delta_H	318.524	kJ/mol	# Calculated enthalpy of reaction	Sn3S4
+#	Enthalpy of formation:	-88.5 kcal/mol
+        -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002
+#       -Range:  0-200
+
+SnBr2
+       SnBr2  =  + 1.0000 Sn++ + 2.0000 Br-
+        log_k           -1.4369
+	-delta_H	8.24248	kJ/mol	# Calculated enthalpy of reaction	SnBr2
+#	Enthalpy of formation:	-62.15 kcal/mol
+        -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001
+#       -Range:  0-200
+
+SnBr4
+       SnBr4  =  + 1.0000 Sn++++ + 4.0000 Br-
+        log_k           11.1272
+	-delta_H	-78.3763	kJ/mol	# Calculated enthalpy of reaction	SnBr4
+#	Enthalpy of formation:	-377.391 kJ/mol
+        -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000
+#       -Range:  0-200
+
+SnCl2
+       SnCl2  =  + 1.0000 Sn++ + 2.0000 Cl-
+        log_k           0.3225
+	-delta_H	-11.9913	kJ/mol	# Calculated enthalpy of reaction	SnCl2
+#	Enthalpy of formation:	-79.1 kcal/mol
+        -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001
+#       -Range:  0-200
+
+SnSO4
+       SnSO4  =  + 1.0000 SO4-- + 1.0000 Sn++
+        log_k           -23.9293
+	-delta_H	96.232	kJ/mol	# Calculated enthalpy of reaction	SnSO4
+#	Enthalpy of formation:	-242.5 kcal/mol
+        -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002
+#       -Range:  0-200
+
+SnSe
+       SnSe  =  + 1.0000 Se-- + 1.0000 Sn++
+        log_k           -32.9506
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe
+#	Enthalpy of formation:	-21.2 kcal/mol
+        -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002
+#       -Range:  0-200
+
+SnSe2
+       SnSe2  =  + 1.0000 Sn++++ + 2.0000 Se--
+        log_k           -66.6570
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe2
+#	Enthalpy of formation:	-29.8 kcal/mol
+        -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002
+#       -Range:  0-200
+
+Soddyite
+        (UO2)2SiO4:2H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
+        log_k           0.3920
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Soddyite
+#	Enthalpy of formation:	0 kcal/mol
+
+Sphaerocobaltite
+        CoCO3 +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HCO3-
+        log_k           -0.2331
+	-delta_H	-30.7064	kJ/mol	# Calculated enthalpy of reaction	Sphaerocobaltite
+#	Enthalpy of formation:	-171.459 kcal/mol
+        -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001
+#       -Range:  0-300
+
+Sphalerite
+        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
+        log_k           -11.4400
+	-delta_H	35.5222	kJ/mol	# Calculated enthalpy of reaction	Sphalerite
+#	Enthalpy of formation:	-49 kcal/mol
+        -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001
+#       -Range:  0-300
+
+Spinel
+        Al2MgO4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O
+        log_k           37.6295
+	-delta_H	-398.108	kJ/mol	# Calculated enthalpy of reaction	Spinel
+#	Enthalpy of formation:	-546.847 kcal/mol
+        -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002
+#       -Range:  0-300
+
+Spinel-Co
+        Co3O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O
+        log_k           -6.4852
+	-delta_H	-126.415	kJ/mol	# Calculated enthalpy of reaction	Spinel-Co
+#	Enthalpy of formation:	-891 kJ/mol
+        -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002
+#       -Range:  0-300
+
+Spodumene
+        LiAlSi2O6 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2
+        log_k           6.9972
+	-delta_H	-89.1817	kJ/mol	# Calculated enthalpy of reaction	Spodumene
+#	Enthalpy of formation:	-3054.75 kJ/mol
+        -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005
+#       -Range:  0-300
+
+Sr
+       Sr +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sr++
+        log_k           141.7816
+	-delta_H	-830.679	kJ/mol	# Calculated enthalpy of reaction	Sr
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005
+#       -Range:  0-300
+
+Sr(NO3)2
+       Sr(NO3)2  =  + 1.0000 Sr++ + 2.0000 NO3-
+        log_k           1.1493
+	-delta_H	13.7818	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2
+#	Enthalpy of formation:	-978.311 kJ/mol
+        -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001
+#       -Range:  0-200
+
+Sr(NO3)2:4H2O
+       Sr(NO3)2:4H2O  =  + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O
+        log_k           0.6976
+	-delta_H	47.9045	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2:4H2O
+#	Enthalpy of formation:	-2155.79 kJ/mol
+        -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001
+#       -Range:  0-200
+
+Sr(OH)2
+       Sr(OH)2 +2.0000 H+  =  + 1.0000 Sr++ + 2.0000 H2O
+        log_k           27.5229
+	-delta_H	-153.692	kJ/mol	# Calculated enthalpy of reaction	Sr(OH)2
+#	Enthalpy of formation:	-968.892 kJ/mol
+        -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002
+#       -Range:  0-200
+
+Sr2SiO4
+       Sr2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++
+        log_k           42.8076
+	-delta_H	-244.583	kJ/mol	# Calculated enthalpy of reaction	Sr2SiO4
+#	Enthalpy of formation:	-2306.61 kJ/mol
+        -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005
+#       -Range:  0-300
+
+Sr3(AsO4)2
+       Sr3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Sr++
+        log_k           20.6256
+	-delta_H	-152.354	kJ/mol	# Calculated enthalpy of reaction	Sr3(AsO4)2
+#	Enthalpy of formation:	-3319.49 kJ/mol
+        -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002
+#       -Range:  0-200
+
+SrBr2
+       SrBr2  =  + 1.0000 Sr++ + 2.0000 Br-
+        log_k           13.1128
+	-delta_H	-75.106	kJ/mol	# Calculated enthalpy of reaction	SrBr2
+#	Enthalpy of formation:	-718.808 kJ/mol
+        -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002
+#       -Range:  0-300
+
+SrBr2:6H2O
+       SrBr2:6H2O  =  + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O
+        log_k           3.6678
+	-delta_H	23.367	kJ/mol	# Calculated enthalpy of reaction	SrBr2:6H2O
+#	Enthalpy of formation:	-2532.31 kJ/mol
+        -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001
+#       -Range:  0-300
+
+SrBr2:H2O
+       SrBr2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br-
+        log_k           9.6057
+	-delta_H	-47.5853	kJ/mol	# Calculated enthalpy of reaction	SrBr2:H2O
+#	Enthalpy of formation:	-1032.17 kJ/mol
+        -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002
+#       -Range:  0-300
+
+SrCl2
+       SrCl2  =  + 1.0000 Sr++ + 2.0000 Cl-
+        log_k           7.9389
+	-delta_H	-55.0906	kJ/mol	# Calculated enthalpy of reaction	SrCl2
+#	Enthalpy of formation:	-829.976 kJ/mol
+        -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002
+#       -Range:  0-300
+
+SrCl2:2H2O
+       SrCl2:2H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O
+        log_k           3.3248
+	-delta_H	-17.7313	kJ/mol	# Calculated enthalpy of reaction	SrCl2:2H2O
+#	Enthalpy of formation:	-1439.01 kJ/mol
+        -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001
+#       -Range:  0-300
+
+SrCl2:6H2O
+       SrCl2:6H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O
+        log_k           1.5038
+	-delta_H	24.6964	kJ/mol	# Calculated enthalpy of reaction	SrCl2:6H2O
+#	Enthalpy of formation:	-2624.79 kJ/mol
+        -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001
+#       -Range:  0-200
+
+SrCl2:H2O
+       SrCl2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl-
+        log_k           4.7822
+	-delta_H	-33.223	kJ/mol	# Calculated enthalpy of reaction	SrCl2:H2O
+#	Enthalpy of formation:	-1137.68 kJ/mol
+        -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002
+#       -Range:  0-300
+
+SrCrO4
+       SrCrO4  =  + 1.0000 CrO4-- + 1.0000 Sr++
+        log_k           -3.8849
+	-delta_H	-1.73636	kJ/mol	# Calculated enthalpy of reaction	SrCrO4
+#	Enthalpy of formation:	-341.855 kcal/mol
+        -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001
+#       -Range:  0-200
+
+SrF2
+       SrF2  =  + 1.0000 Sr++ + 2.0000 F-
+        log_k           -8.5400
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrF2
+#	Enthalpy of formation:	0 kcal/mol
+
+SrHPO4
+       SrHPO4  =  + 1.0000 HPO4-- + 1.0000 Sr++
+        log_k           -6.2416
+	-delta_H	-19.7942	kJ/mol	# Calculated enthalpy of reaction	SrHPO4
+#	Enthalpy of formation:	-1823.19 kJ/mol
+        -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001
+#       -Range:  0-200
+
+SrI2
+       SrI2  =  + 1.0000 Sr++ + 2.0000 I-
+        log_k           19.2678
+	-delta_H	-103.218	kJ/mol	# Calculated enthalpy of reaction	SrI2
+#	Enthalpy of formation:	-561.494 kJ/mol
+        -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002
+#       -Range:  0-300
+
+SrO
+       SrO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++
+        log_k           41.8916
+	-delta_H	-243.875	kJ/mol	# Calculated enthalpy of reaction	SrO
+#	Enthalpy of formation:	-592.871 kJ/mol
+        -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002
+#       -Range:  0-300
+
+SrS
+       SrS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sr++
+        log_k           14.7284
+	-delta_H	-93.3857	kJ/mol	# Calculated enthalpy of reaction	SrS
+#	Enthalpy of formation:	-473.63 kJ/mol
+        -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002
+#       -Range:  0-300
+
+SrSeO4
+       SrSeO4  =  + 1.0000 SeO4-- + 1.0000 Sr++
+        log_k           -4.4000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSeO4
+#	Enthalpy of formation:	0 kcal/mol
+
+SrSiO3
+       SrSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++
+        log_k           14.8438
+	-delta_H	-79.6112	kJ/mol	# Calculated enthalpy of reaction	SrSiO3
+#	Enthalpy of formation:	-1634.83 kJ/mol
+        -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005
+#       -Range:  0-300
+
+SrUO4(alpha)
+       SrUO4 +4.0000 H+  =  + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O
+        log_k           19.1650
+	-delta_H	-151.984	kJ/mol	# Calculated enthalpy of reaction	SrUO4(alpha)
+#	Enthalpy of formation:	-1989.6 kJ/mol
+        -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002
+#       -Range:  0-300
+
+SrZrO3
+       SrZrO3 +4.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++
+        log_k           -131.4664
+	-delta_H	706.983	kJ/mol	# Calculated enthalpy of reaction	SrZrO3
+#	Enthalpy of formation:	-629.677 kcal/mol
+        -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002
+#       -Range:  0-200
+
+Starkeyite
+        MgSO4:4H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O
+        log_k           -0.9999
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Starkeyite
+#	Enthalpy of formation:	0 kcal/mol
+
+Stibnite
+        Sb2S3 +6.0000 H2O  =  + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS-
+        log_k           -53.1100
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stibnite
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002
+#       -Range:  0-300
+
+Stilbite
+        Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+  =  + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O
+        log_k           1.0545
+	-delta_H	-83.0019	kJ/mol	# Calculated enthalpy of reaction	Stilbite
+#	Enthalpy of formation:	-11005.7 kJ/mol
+        -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006
+#       -Range:  0-300
+
+Stilleite
+        ZnSe  =  + 1.0000 Se-- + 1.0000 Zn++
+        log_k           -23.9693
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stilleite
+#	Enthalpy of formation:	-37.97 kcal/mol
+        -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001
+#       -Range:  0-300
+
+Strengite
+        FePO4:2H2O +1.0000 H+  =  + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O
+        log_k           -11.3429
+	-delta_H	-37.107	kJ/mol	# Calculated enthalpy of reaction	Strengite
+#	Enthalpy of formation:	-1876.23 kJ/mol
+        -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002
+#       -Range:  0-300
+
+Strontianite
+        SrCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Sr++
+        log_k           -0.3137
+	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
+#	Enthalpy of formation:	-294.6 kcal/mol
+        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
+#       -Range:  0-300
+
+Sulfur	from J.Thom
+        S + H2O = 0.5H+ + 0.25SO4-- + 0.75H2S
+        log_k -5.20733
+        -analytic -7.22926e1 -1.87320e-2 7.37125e2 2.83697e1 -1.00039e2
+
+Sylvite
+        KCl  =  + 1.0000 Cl- + 1.0000 K+
+        log_k           0.8459
+	-delta_H	17.4347	kJ/mol	# Calculated enthalpy of reaction	Sylvite
+#	Enthalpy of formation:	-104.37 kcal/mol
+        -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001
+#       -Range:  0-300
+
+Syngenite
+        K2Ca(SO4)2:H2O  =  + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4--
+        log_k           -7.6001
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Syngenite
+#	Enthalpy of formation:	0 kcal/mol
+
+Tachyhydrite
+        Mg2CaCl6:12H2O  =  + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O
+        log_k           17.1439
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tachyhydrite
+#	Enthalpy of formation:	0 kcal/mol
+
+Talc
+        Mg3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
+        log_k           21.1383
+	-delta_H	-148.737	kJ/mol	# Calculated enthalpy of reaction	Talc
+#	Enthalpy of formation:	-1410.92 kcal/mol
+        -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006
+#       -Range:  0-300
+
+Tarapacaite
+        K2CrO4  =  + 1.0000 CrO4-- + 2.0000 K+
+        log_k           -0.4037
+	-delta_H	17.8238	kJ/mol	# Calculated enthalpy of reaction	Tarapacaite
+#	Enthalpy of formation:	-335.4 kcal/mol
+        -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001
+#       -Range:  0-200
+
+Tb
+       Tb +3.0000 H+ +0.7500 O2  =  + 1.0000 Tb+++ + 1.5000 H2O
+        log_k           181.4170
+	-delta_H	-1117.97	kJ/mol	# Calculated enthalpy of reaction	Tb
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002
+#       -Range:  0-300
+
+Tb(OH)3
+       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
+        log_k           15.6852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Tb(OH)3(am)
+       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
+        log_k           18.7852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Tb2(CO3)3
+       Tb2(CO3)3 +3.0000 H+  =  + 2.0000 Tb+++ + 3.0000 HCO3-
+        log_k           -3.2136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Tb2O3
+       Tb2O3 +6.0000 H+  =  + 2.0000 Tb+++ + 3.0000 H2O
+        log_k           47.1000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+TbF3:.5H2O
+       TbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F-
+        log_k           -16.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+TbPO4:10H2O
+       TbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O
+        log_k           -11.9782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Tc
+       Tc +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 TcO4-
+        log_k           93.5811
+	-delta_H	-552.116	kJ/mol	# Calculated enthalpy of reaction	Tc
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005
+#       -Range:  0-300
+
+Tc(OH)2
+       Tc(OH)2 +3.0000 H+ +0.2500 O2  =  + 1.0000 Tc+++ + 2.5000 H2O
+        log_k           5.2714
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Tc(OH)3
+       Tc(OH)3 +3.0000 H+  =  + 1.0000 Tc+++ + 3.0000 H2O
+        log_k           -9.2425
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Tc2O7
+       Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-
+        log_k           13.1077
+	-delta_H	-26.5357	kJ/mol	# Calculated enthalpy of reaction	Tc2O7
+#	Enthalpy of formation:	-1120.16 kJ/mol
+        -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001
+#       -Range:  0-200
+
+Tc2S7
+       Tc2S7 +8.0000 H2O  =  + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+
+        log_k           -230.2410
+	-delta_H	1356.41	kJ/mol	# Calculated enthalpy of reaction	Tc2S7
+#	Enthalpy of formation:	-615 kJ/mol
+        -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003
+#       -Range:  0-200
+
+Tc3O4
+       Tc3O4 +9.0000 H+ +0.2500 O2  =  + 3.0000 Tc+++ + 4.5000 H2O
+        log_k           -19.2271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc3O4
+#	Enthalpy of formation:	0 kcal/mol
+
+Tc4O7
+       Tc4O7 +10.0000 H+  =  + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O
+        log_k           -26.0149
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc4O7
+#	Enthalpy of formation:	0 kcal/mol
+
+TcO2:2H2O(am)
+       TcO2:2H2O +2.0000 H+  =  + 1.0000 TcO++ + 3.0000 H2O
+        log_k           -4.2319
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO2:2H2O(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+TcO3
+       TcO3 +1.0000 H2O  =  + 1.0000 TcO4-- + 2.0000 H+
+        log_k           -23.1483
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO3
+#	Enthalpy of formation:	-540 kJ/mol
+
+TcOH
+       TcOH +3.0000 H+ +0.5000 O2  =  + 1.0000 Tc+++ + 2.0000 H2O
+        log_k           24.9009
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOH
+#	Enthalpy of formation:	0 kcal/mol
+
+TcS2
+       TcS2 +1.0000 H2O  =  + 1.0000 TcO++ + 2.0000 HS-
+        log_k           -65.9742
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS2
+#	Enthalpy of formation:	-224 kJ/mol
+
+TcS3
+       TcS3 +4.0000 H2O  =  + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+
+        log_k           -119.5008
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS3
+#	Enthalpy of formation:	-276 kJ/mol
+
+Tenorite
+        CuO +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 H2O
+        log_k           7.6560
+	-delta_H	-64.5047	kJ/mol	# Calculated enthalpy of reaction	Tenorite
+#	Enthalpy of formation:	-37.2 kcal/mol
+        -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001
+#       -Range:  0-300
+
+Tephroite
+        Mn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++
+        log_k           23.0781
+	-delta_H	-160.1	kJ/mol	# Calculated enthalpy of reaction	Tephroite
+#	Enthalpy of formation:	-1730.47 kJ/mol
+        -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002
+#       -Range:  0-300
+
+Th
+       Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O
+        log_k           209.6028
+	-delta_H	-1328.56	kJ/mol	# Calculated enthalpy of reaction	Th
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003
+#       -Range:  0-300
+
+Th(NO3)4:5H2O
+       Th(NO3)4:5H2O  =  + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O
+        log_k           1.7789
+	-delta_H	-18.1066	kJ/mol	# Calculated enthalpy of reaction	Th(NO3)4:5H2O
+#	Enthalpy of formation:	-3007.35 kJ/mol
+        -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001
+#       -Range:  0-200
+
+Th(OH)4
+       Th(OH)4 +4.0000 H+  =  + 1.0000 Th++++ + 4.0000 H2O
+        log_k           9.6543
+	-delta_H	-140.336	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
+#	Enthalpy of formation:	-423.527 kcal/mol
+        -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002
+#       -Range:  0-200
+
+Th(SO4)2
+       Th(SO4)2  =  + 1.0000 Th++++ + 2.0000 SO4--
+        log_k           -20.3006
+	-delta_H	-46.1064	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
+#	Enthalpy of formation:	-2542.12 kJ/mol
+        -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005
+#       -Range:  0-200
+
+Th2S3
+       Th2S3 +5.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS-
+        log_k           95.2290
+	-delta_H	-783.243	kJ/mol	# Calculated enthalpy of reaction	Th2S3
+#	Enthalpy of formation:	-1082.89 kJ/mol
+        -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002
+#       -Range:  0-300
+
+Th2Se3
+       Th2Se3 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se--
+        log_k           59.1655
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th2Se3
+#	Enthalpy of formation:	-224 kcal/mol
+        -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002
+#       -Range:  0-200
+
+Th7S12
+       Th7S12 +16.0000 H+ +1.0000 O2  =  + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS-
+        log_k           204.0740
+	-delta_H	-1999.4	kJ/mol	# Calculated enthalpy of reaction	Th7S12
+#	Enthalpy of formation:	-4136.58 kJ/mol
+        -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003
+#       -Range:  0-200
+
+ThBr4
+       ThBr4  =  + 1.0000 Th++++ + 4.0000 Br-
+        log_k           34.0803
+	-delta_H	-290.23	kJ/mol	# Calculated enthalpy of reaction	ThBr4
+#	Enthalpy of formation:	-964.803 kJ/mol
+        -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002
+#       -Range:  0-200
+
+ThCl4
+       ThCl4  =  + 1.0000 Th++++ + 4.0000 Cl-
+        log_k           23.8491
+	-delta_H	-251.094	kJ/mol	# Calculated enthalpy of reaction	ThCl4
+#	Enthalpy of formation:	-283.519 kcal/mol
+        -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002
+#       -Range:  0-200
+
+ThF4
+       ThF4  =  + 1.0000 Th++++ + 4.0000 F-
+        log_k           -29.9946
+	-delta_H	-12.6733	kJ/mol	# Calculated enthalpy of reaction	ThF4
+#	Enthalpy of formation:	-501.371 kcal/mol
+        -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002
+#       -Range:  0-300
+
+ThF4:2.5H2O
+       ThF4:2.5H2O  =  + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F-
+        log_k           -31.8568
+	-delta_H	22.6696	kJ/mol	# Calculated enthalpy of reaction	ThF4:2.5H2O
+#	Enthalpy of formation:	-2847.68 kJ/mol
+        -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000
+#       -Range:  0-200
+
+ThI4
+       ThI4  =  + 1.0000 Th++++ + 4.0000 I-
+        log_k           45.1997
+	-delta_H	-332.818	kJ/mol	# Calculated enthalpy of reaction	ThI4
+#	Enthalpy of formation:	-663.811 kJ/mol
+        -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002
+#       -Range:  0-200
+
+ThS
+       ThS +3.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++
+        log_k           96.0395
+	-delta_H	-669.906	kJ/mol	# Calculated enthalpy of reaction	ThS
+#	Enthalpy of formation:	-394.993 kJ/mol
+        -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+ThS2
+       ThS2 +2.0000 H+  =  + 1.0000 Th++++ + 2.0000 HS-
+        log_k           10.7872
+	-delta_H	-175.369	kJ/mol	# Calculated enthalpy of reaction	ThS2
+#	Enthalpy of formation:	-625.867 kJ/mol
+        -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002
+#       -Range:  0-200
+
+Thenardite
+        Na2SO4  =  + 1.0000 SO4-- + 2.0000 Na+
+        log_k           -0.3091
+	-delta_H	-2.33394	kJ/mol	# Calculated enthalpy of reaction	Thenardite
+#	Enthalpy of formation:	-1387.87 kJ/mol
+        -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001
+#       -Range:  0-300
+
+Thermonatrite
+        Na2CO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+
+        log_k           10.9623
+	-delta_H	-27.5869	kJ/mol	# Calculated enthalpy of reaction	Thermonatrite
+#	Enthalpy of formation:	-1428.78 kJ/mol
+        -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001
+#       -Range:  0-300
+
+Thorianite
+        ThO2 +4.0000 H+  =  + 1.0000 Th++++ + 2.0000 H2O
+        log_k           1.8624
+	-delta_H	-114.296	kJ/mol	# Calculated enthalpy of reaction	Thorianite
+#	Enthalpy of formation:	-1226.4 kJ/mol
+        -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005
+#       -Range:  0-300
+
+Ti
+       Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4
+        log_k           149.2978
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti
+#	Enthalpy of formation:	0 kJ/mol
+
+Ti2O3
+       Ti2O3 +4.0000 H2O +0.5000 O2  =  + 2.0000 Ti(OH)4
+        log_k           42.9866
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti2O3
+#	Enthalpy of formation:	-1520.78 kJ/mol
+
+Ti3O5
+       Ti3O5 +6.0000 H2O +0.5000 O2  =  + 3.0000 Ti(OH)4
+        log_k           34.6557
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti3O5
+#	Enthalpy of formation:	-2459.24 kJ/mol
+
+TiB2
+       TiB2 +5.0000 H2O +2.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 B(OH)3
+        log_k           312.4194
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiB2
+#	Enthalpy of formation:	-323.883 kJ/mol
+
+TiBr3
+       TiBr3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+
+        log_k           47.7190
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr3
+#	Enthalpy of formation:	-548.378 kJ/mol
+
+TiBr4
+       TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+
+        log_k           32.9379
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4
+#	Enthalpy of formation:	-616.822 kJ/mol
+
+TiC
+       TiC +3.0000 H2O +2.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4
+        log_k           181.8139
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiC
+#	Enthalpy of formation:	-184.346 kJ/mol
+
+TiCl2
+       TiCl2 +3.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+
+        log_k           70.9386
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl2
+#	Enthalpy of formation:	-514.012 kJ/mol
+
+TiCl3
+       TiCl3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+
+        log_k           39.3099
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl3
+#	Enthalpy of formation:	-720.775 kJ/mol
+
+TiF4(am)
+       TiF4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+
+        log_k           -12.4409
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiF4(am)
+#	Enthalpy of formation:	-1649.44 kJ/mol
+
+TiI4
+       TiI4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I-
+        log_k           34.5968
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiI4
+#	Enthalpy of formation:	-375.555 kJ/mol
+
+TiN
+       TiN +3.5000 H2O +0.2500 O2  =  + 1.0000 NH3 + 1.0000 Ti(OH)4
+        log_k           35.2344
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiN
+#	Enthalpy of formation:	-338.304 kJ/mol
+
+TiO(alpha)
+       TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4
+        log_k           61.1282
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(alpha)
+#	Enthalpy of formation:	-519.835 kJ/mol
+
+Tiemannite
+        HgSe  =  + 1.0000 Hg++ + 1.0000 Se--
+        log_k           -58.2188
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tiemannite
+#	Enthalpy of formation:	-10.4 kcal/mol
+        -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002
+#       -Range:  0-300
+
+Titanite
+        CaTiSiO5 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4
+        log_k           719.5839
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Titanite
+#	Enthalpy of formation:	0 kcal/mol
+
+Tl
+       Tl +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Tl+
+        log_k           27.1743
+	-delta_H	-134.53	kJ/mol	# Calculated enthalpy of reaction	Tl
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005
+#       -Range:  0-300
+
+Tm
+       Tm +3.0000 H+ +0.7500 O2  =  + 1.0000 Tm+++ + 1.5000 H2O
+        log_k           181.7102
+	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Tm
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003
+#       -Range:  0-300
+
+Tm(OH)3
+       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
+        log_k           14.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Tm(OH)3(am)
+       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
+        log_k           17.2852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Tm2(CO3)3
+       Tm2(CO3)3 +3.0000 H+  =  + 2.0000 Tm+++ + 3.0000 HCO3-
+        log_k           -2.4136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Tm2O3
+       Tm2O3 +6.0000 H+  =  + 2.0000 Tm+++ + 3.0000 H2O
+        log_k           44.7000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+TmF3:.5H2O
+       TmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F-
+        log_k           -16.2000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+TmPO4:10H2O
+       TmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O
+        log_k           -11.8782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Tobermorite-11A
+        Ca5Si6H11O22.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O
+        log_k           65.6121
+	-delta_H	-286.861	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-11A
+#	Enthalpy of formation:	-2556.42 kcal/mol
+        -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006
+#       -Range:  0-300
+
+Tobermorite-14A
+        Ca5Si6H21O27.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O
+        log_k           63.8445
+	-delta_H	-230.959	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-14A
+#	Enthalpy of formation:	-2911.36 kcal/mol
+        -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006
+#       -Range:  0-300
+
+Tobermorite-9A
+        Ca5Si6H6O20 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O
+        log_k           69.0798
+	-delta_H	-329.557	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-9A
+#	Enthalpy of formation:	-2375.42 kcal/mol
+        -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006
+#       -Range:  0-300
+
+Todorokite
+        Mn7O12:3H2O +16.0000 H+  =  + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O
+        log_k           -45.8241
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Todorokite
+#	Enthalpy of formation:	0 kcal/mol
+
+Torbernite
+        Cu(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -20.3225
+	-delta_H	-97.4022	kJ/mol	# Calculated enthalpy of reaction	Torbernite
+#	Enthalpy of formation:	-1065.74 kcal/mol
+        -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001
+#       -Range:  0-200
+
+Tremolite
+        Ca2Mg5Si8O22(OH)2 +14.0000 H+  =  + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
+        log_k           61.2367
+	-delta_H	-406.404	kJ/mol	# Calculated enthalpy of reaction	Tremolite
+#	Enthalpy of formation:	-2944.04 kcal/mol
+        -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006
+#       -Range:  0-300
+
+Trevorite
+        NiFe2O4 +8.0000 H+  =  + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O
+        log_k           9.7876
+	-delta_H	-215.338	kJ/mol	# Calculated enthalpy of reaction	Trevorite
+#	Enthalpy of formation:	-1081.15 kJ/mol
+        -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002
+#       -Range:  0-200
+
+Tridymite
+        SiO2  =  + 1.0000 SiO2
+        log_k           -3.8278
+	-delta_H	31.3664	kJ/mol	# Calculated enthalpy of reaction	Tridymite
+#	Enthalpy of formation:	-909.065 kJ/mol
+        -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002
+#       -Range:  0-200
+
+Troilite
+        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
+        log_k           -3.8184
+	-delta_H	-7.3296	kJ/mol	# Calculated enthalpy of reaction	Troilite
+#	Enthalpy of formation:	-101.036 kJ/mol
+        -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001
+#       -Range:  0-300
+
+Trona-K
+        K2NaH(CO3)2:2H2O +1.0000 H+  =  + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+
+        log_k           11.5891
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Trona-K
+#	Enthalpy of formation:	0 kcal/mol
+
+Tsumebite
+        Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O
+        log_k           2.5318
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tsumebite
+#	Enthalpy of formation:	0 kcal/mol
+
+Tyuyamunite
+        Ca(UO2)2(VO4)2  =  + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4---
+        log_k           -53.3757
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tyuyamunite
+#	Enthalpy of formation:	-1164.52 kcal/mol
+
+U
+       U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++
+        log_k           212.7800
+	-delta_H	-1286.64	kJ/mol	# Calculated enthalpy of reaction	U
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006
+#       -Range:  0-300
+
+U(CO3)2
+       U(CO3)2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HCO3-
+        log_k           7.5227
+	-delta_H	-170.691	kJ/mol	# Calculated enthalpy of reaction	U(CO3)2
+#	Enthalpy of formation:	-1800.38 kJ/mol
+        -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002
+#       -Range:  0-200
+
+U(HPO4)2:4H2O
+       U(HPO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O
+        log_k           -32.8650
+	-delta_H	16.1008	kJ/mol	# Calculated enthalpy of reaction	U(HPO4)2:4H2O
+#	Enthalpy of formation:	-4334.82 kJ/mol
+        -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002
+#       -Range:  0-300
+
+U(OH)2SO4
+       U(OH)2SO4 +2.0000 H+  =  + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O
+        log_k           -3.0731
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(OH)2SO4
+#	Enthalpy of formation:	0 kcal/mol
+
+U(SO3)2
+       U(SO3)2  =  + 1.0000 U++++ + 2.0000 SO3--
+        log_k           -36.7499
+	-delta_H	20.7008	kJ/mol	# Calculated enthalpy of reaction	U(SO3)2
+#	Enthalpy of formation:	-1883 kJ/mol
+        -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002
+#       -Range:  0-200
+
+U(SO4)2
+       U(SO4)2  =  + 1.0000 U++++ + 2.0000 SO4--
+        log_k           -11.5178
+	-delta_H	-100.803	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
+#	Enthalpy of formation:	-2309.6 kJ/mol
+        -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001
+#       -Range:  0-200
+
+U(SO4)2:4H2O
+       U(SO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O
+        log_k           -11.5287
+	-delta_H	-70.5565	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:4H2O
+#	Enthalpy of formation:	-3483.2 kJ/mol
+        -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001
+#       -Range:  0-200
+
+U(SO4)2:8H2O
+       U(SO4)2:8H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O
+        log_k           -12.5558
+	-delta_H	-34.5098	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:8H2O
+#	Enthalpy of formation:	-4662.6 kJ/mol
+        -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002
+#       -Range:  0-200
+
+U2C3
+       U2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HCO3-
+        log_k           455.3078
+	-delta_H	-2810.1	kJ/mol	# Calculated enthalpy of reaction	U2C3
+#	Enthalpy of formation:	-183.3 kJ/mol
+        -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006
+#       -Range:  0-300
+
+U2F9
+       U2F9 +2.0000 H2O  =  + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F-
+        log_k           -45.5022
+	-delta_H	-46.8557	kJ/mol	# Calculated enthalpy of reaction	U2F9
+#	Enthalpy of formation:	-4015.92 kJ/mol
+        -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002
+#       -Range:  0-300
+
+U2O2Cl5
+       U2O2Cl5  =  + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl-
+        log_k           19.2752
+	-delta_H	-254.325	kJ/mol	# Calculated enthalpy of reaction	U2O2Cl5
+#	Enthalpy of formation:	-2197.4 kJ/mol
+        -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002
+#       -Range:  0-300
+
+U2O3F6
+       U2O3F6 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F-
+        log_k           -2.5066
+	-delta_H	-185.047	kJ/mol	# Calculated enthalpy of reaction	U2O3F6
+#	Enthalpy of formation:	-3579.2 kJ/mol
+        -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001
+#       -Range:  0-200
+
+U2S3
+       U2S3 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HS-
+        log_k           6.5279
+	-delta_H	-147.525	kJ/mol	# Calculated enthalpy of reaction	U2S3
+#	Enthalpy of formation:	-879 kJ/mol
+        -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002
+#       -Range:  0-300
+
+U2Se3
+       U2Se3 +4.5000 O2  =  + 2.0000 U+++ + 3.0000 SeO3--
+        log_k           248.0372
+	-delta_H	-1740.18	kJ/mol	# Calculated enthalpy of reaction	U2Se3
+#	Enthalpy of formation:	-711 kJ/mol
+        -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003
+#       -Range:  0-200
+
+U3As4
+       U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 H2AsO3-
+        log_k           487.6802
+	-delta_H	-3114.02	kJ/mol	# Calculated enthalpy of reaction	U3As4
+#	Enthalpy of formation:	-720 kJ/mol
+        -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006
+#       -Range:  0-300
+
+U3O5F8
+       U3O5F8 +1.0000 H2O  =  + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F-
+        log_k           -2.7436
+	-delta_H	-260.992	kJ/mol	# Calculated enthalpy of reaction	U3O5F8
+#	Enthalpy of formation:	-5192.95 kJ/mol
+        -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002
+#       -Range:  0-300
+
+U3P4
+       U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+  =  + 3.0000 U+++ + 4.0000 HPO4--
+        log_k           827.5586
+	-delta_H	-5275.9	kJ/mol	# Calculated enthalpy of reaction	U3P4
+#	Enthalpy of formation:	-843 kJ/mol
+        -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006
+#       -Range:  0-300
+
+U3S5
+       U3S5 +5.0000 H+  =  + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS-
+        log_k           -0.3680
+	-delta_H	-218.942	kJ/mol	# Calculated enthalpy of reaction	U3S5
+#	Enthalpy of formation:	-1431 kJ/mol
+        -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002
+#       -Range:  0-200
+
+U3Sb4
+       U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 Sb(OH)3
+        log_k           575.0349
+	-delta_H	-3618.1	kJ/mol	# Calculated enthalpy of reaction	U3Sb4
+#	Enthalpy of formation:	-451.9 kJ/mol
+
+U3Se4
+       U3Se4 +6.2500 O2 +1.0000 H+  =  + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3--
+        log_k           375.2823
+	-delta_H	-2588.16	kJ/mol	# Calculated enthalpy of reaction	U3Se4
+#	Enthalpy of formation:	-983 kJ/mol
+        -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003
+#       -Range:  0-200
+
+U3Se5
+       U3Se5 +7.2500 O2 +0.5000 H2O  =  + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3--
+        log_k           376.5747
+	-delta_H	-2652.38	kJ/mol	# Calculated enthalpy of reaction	U3Se5
+#	Enthalpy of formation:	-1130 kJ/mol
+        -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003
+#       -Range:  0-200
+
+U4F17
+       U4F17 +2.0000 H2O  =  + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F-
+        log_k           -104.7657
+	-delta_H	-78.2955	kJ/mol	# Calculated enthalpy of reaction	U4F17
+#	Enthalpy of formation:	-7849.66 kJ/mol
+        -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002
+#       -Range:  0-300
+
+U5O12Cl
+       U5O12Cl +4.0000 H+  =  + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+
+        log_k           -18.7797
+	-delta_H	-9.99133	kJ/mol	# Calculated enthalpy of reaction	U5O12Cl
+#	Enthalpy of formation:	-5854.4 kJ/mol
+        -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001
+#       -Range:  0-200
+
+UAs
+       UAs +2.0000 H+ +1.5000 O2  =  + 1.0000 H2AsO3- + 1.0000 U+++
+        log_k           149.0053
+	-delta_H	-951.394	kJ/mol	# Calculated enthalpy of reaction	UAs
+#	Enthalpy of formation:	-234.3 kJ/mol
+        -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002
+#       -Range:  0-300
+
+UAs2
+       UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+  =  + 1.0000 U+++ + 2.0000 H2AsO3-
+        log_k           189.1058
+	-delta_H	-1210.63	kJ/mol	# Calculated enthalpy of reaction	UAs2
+#	Enthalpy of formation:	-252 kJ/mol
+        -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002
+#       -Range:  0-300
+
+UBr2Cl
+       UBr2Cl  =  + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br-
+        log_k           17.7796
+	-delta_H	-148.586	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl
+#	Enthalpy of formation:	-750.6 kJ/mol
+        -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001
+#       -Range:  0-200
+
+UBr2Cl2
+       UBr2Cl2  =  + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl-
+        log_k           26.2185
+	-delta_H	-260.466	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl2
+#	Enthalpy of formation:	-907.9 kJ/mol
+        -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+UBr3
+       UBr3  =  + 1.0000 U+++ + 3.0000 Br-
+        log_k           20.2249
+	-delta_H	-154.91	kJ/mol	# Calculated enthalpy of reaction	UBr3
+#	Enthalpy of formation:	-698.7 kJ/mol
+        -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002
+#       -Range:  0-300
+
+UBr3Cl
+       UBr3Cl  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br-
+        log_k           29.1178
+	-delta_H	-270.49	kJ/mol	# Calculated enthalpy of reaction	UBr3Cl
+#	Enthalpy of formation:	-852.3 kJ/mol
+        -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002
+#       -Range:  0-200
+
+UBr4
+       UBr4  =  + 1.0000 U++++ + 4.0000 Br-
+        log_k           31.2904
+	-delta_H	-275.113	kJ/mol	# Calculated enthalpy of reaction	UBr4
+#	Enthalpy of formation:	-802.1 kJ/mol
+        -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002
+#       -Range:  0-300
+
+UBr5
+       UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br-
+        log_k           41.6312
+	-delta_H	-250.567	kJ/mol	# Calculated enthalpy of reaction	UBr5
+#	Enthalpy of formation:	-810.4 kJ/mol
+        -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002
+#       -Range:  0-300
+
+UBrCl2
+       UBrCl2  =  + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl-
+        log_k           14.5048
+	-delta_H	-132.663	kJ/mol	# Calculated enthalpy of reaction	UBrCl2
+#	Enthalpy of formation:	-812.1 kJ/mol
+        -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001
+#       -Range:  0-200
+
+UBrCl3
+       UBrCl3  =  + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl-
+        log_k           23.5258
+	-delta_H	-246.642	kJ/mol	# Calculated enthalpy of reaction	UBrCl3
+#	Enthalpy of formation:	-967.3 kJ/mol
+        -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002
+#       -Range:  0-200
+
+UC
+       UC +2.0000 H+ +1.7500 O2  =  + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++
+        log_k           194.8241
+	-delta_H	-1202.82	kJ/mol	# Calculated enthalpy of reaction	UC
+#	Enthalpy of formation:	-97.9 kJ/mol
+        -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002
+#       -Range:  0-300
+
+UC1.94(alpha)
+       UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O  =  + 1.0000 U+++ + 1.9400 HCO3-
+        log_k           257.1619
+	-delta_H	-1583.84	kJ/mol	# Calculated enthalpy of reaction	UC1.94(alpha)
+#	Enthalpy of formation:	-85.324 kJ/mol
+        -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006
+#       -Range:  0-300
+
+UCl2F2
+       UCl2F2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F-
+        log_k           -3.5085
+	-delta_H	-130.055	kJ/mol	# Calculated enthalpy of reaction	UCl2F2
+#	Enthalpy of formation:	-1466 kJ/mol
+        -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002
+#       -Range:  0-300
+
+UCl2I2
+       UCl2I2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I-
+        log_k           30.2962
+	-delta_H	-270.364	kJ/mol	# Calculated enthalpy of reaction	UCl2I2
+#	Enthalpy of formation:	-768.8 kJ/mol
+        -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002
+#       -Range:  0-200
+
+UCl3
+       UCl3  =  + 1.0000 U+++ + 3.0000 Cl-
+        log_k           13.0062
+	-delta_H	-126.639	kJ/mol	# Calculated enthalpy of reaction	UCl3
+#	Enthalpy of formation:	-863.7 kJ/mol
+        -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002
+#       -Range:  0-300
+
+UCl3F
+       UCl3F  =  + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl-
+        log_k           10.3200
+	-delta_H	-184.787	kJ/mol	# Calculated enthalpy of reaction	UCl3F
+#	Enthalpy of formation:	-1243 kJ/mol
+        -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002
+#       -Range:  0-300
+
+UCl3I
+       UCl3I  =  + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl-
+        log_k           25.5388
+	-delta_H	-251.041	kJ/mol	# Calculated enthalpy of reaction	UCl3I
+#	Enthalpy of formation:	-898.3 kJ/mol
+        -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002
+#       -Range:  0-200
+
+UCl4
+       UCl4  =  + 1.0000 U++++ + 4.0000 Cl-
+        log_k           21.9769
+	-delta_H	-240.719	kJ/mol	# Calculated enthalpy of reaction	UCl4
+#	Enthalpy of formation:	-1018.8 kJ/mol
+        -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002
+#       -Range:  0-300
+
+UCl5
+       UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl-
+        log_k           37.3147
+	-delta_H	-249.849	kJ/mol	# Calculated enthalpy of reaction	UCl5
+#	Enthalpy of formation:	-1039 kJ/mol
+        -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002
+#       -Range:  0-300
+
+UCl6
+       UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl-
+        log_k           57.5888
+	-delta_H	-383.301	kJ/mol	# Calculated enthalpy of reaction	UCl6
+#	Enthalpy of formation:	-1066.5 kJ/mol
+        -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002
+#       -Range:  0-300
+
+UClF3
+       UClF3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F-
+        log_k           -17.5122
+	-delta_H	-74.3225	kJ/mol	# Calculated enthalpy of reaction	UClF3
+#	Enthalpy of formation:	-1690 kJ/mol
+        -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002
+#       -Range:  0-300
+
+UClI3
+       UClI3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I-
+        log_k           35.2367
+	-delta_H	-285.187	kJ/mol	# Calculated enthalpy of reaction	UClI3
+#	Enthalpy of formation:	-643.8 kJ/mol
+        -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002
+#       -Range:  0-200
+
+UF3
+       UF3  =  + 1.0000 U+++ + 3.0000 F-
+        log_k           -19.4125
+	-delta_H	6.2572	kJ/mol	# Calculated enthalpy of reaction	UF3
+#	Enthalpy of formation:	-1501.4 kJ/mol
+        -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001
+#       -Range:  0-300
+
+UF4
+       UF4  =  + 1.0000 U++++ + 4.0000 F-
+        log_k           -29.2004
+	-delta_H	-18.3904	kJ/mol	# Calculated enthalpy of reaction	UF4
+#	Enthalpy of formation:	-1914.2 kJ/mol
+        -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002
+#       -Range:  0-300
+
+UF4:2.5H2O
+       UF4:2.5H2O  =  + 1.0000 U++++ + 2.5000 H2O + 4.0000 F-
+        log_k           -33.3685
+	-delta_H	24.2888	kJ/mol	# Calculated enthalpy of reaction	UF4:2.5H2O
+#	Enthalpy of formation:	-2671.47 kJ/mol
+        -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002
+#       -Range:  0-300
+
+UF5(alpha)
+       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
+        log_k           -12.8376
+	-delta_H	-54.8883	kJ/mol	# Calculated enthalpy of reaction	UF5(alpha)
+#	Enthalpy of formation:	-2075.3 kJ/mol
+        -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002
+#       -Range:  0-300
+
+UF5(beta)
+       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
+        log_k           -13.1718
+	-delta_H	-46.9883	kJ/mol	# Calculated enthalpy of reaction	UF5(beta)
+#	Enthalpy of formation:	-2083.2 kJ/mol
+        -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002
+#       -Range:  0-300
+
+UF6
+       UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F-
+        log_k           17.4292
+	-delta_H	-261.709	kJ/mol	# Calculated enthalpy of reaction	UF6
+#	Enthalpy of formation:	-2197.7 kJ/mol
+        -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002
+#       -Range:  0-300
+
+UH3(beta)
+       UH3 +3.0000 H+ +1.5000 O2  =  + 1.0000 U+++ + 3.0000 H2O
+        log_k           199.7683
+	-delta_H	-1201.43	kJ/mol	# Calculated enthalpy of reaction	UH3(beta)
+#	Enthalpy of formation:	-126.98 kJ/mol
+        -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003
+#       -Range:  0-200
+
+UI3
+       UI3  =  + 1.0000 U+++ + 3.0000 I-
+        log_k           29.0157
+	-delta_H	-192.407	kJ/mol	# Calculated enthalpy of reaction	UI3
+#	Enthalpy of formation:	-467.4 kJ/mol
+        -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002
+#       -Range:  0-300
+
+UI4
+       UI4  =  + 1.0000 U++++ + 4.0000 I-
+        log_k           39.3102
+	-delta_H	-300.01	kJ/mol	# Calculated enthalpy of reaction	UI4
+#	Enthalpy of formation:	-518.8 kJ/mol
+        -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002
+#       -Range:  0-300
+
+UN
+       UN +3.0000 H+  =  + 1.0000 NH3 + 1.0000 U+++
+        log_k           41.7130
+	-delta_H	-280.437	kJ/mol	# Calculated enthalpy of reaction	UN
+#	Enthalpy of formation:	-290 kJ/mol
+        -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006
+#       -Range:  0-300
+
+UN1.59(alpha)
+       UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2  =  + 1.0000 UO2+ + 1.5900 NH3
+        log_k           38.3930
+	-delta_H	-235.75	kJ/mol	# Calculated enthalpy of reaction	UN1.59(alpha)
+#	Enthalpy of formation:	-379.2 kJ/mol
+        -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002
+#       -Range:  0-200
+
+UN1.73(alpha)
+       UN1.73 +2.0950 H2O +1.0000 H+  =  + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3
+        log_k           27.2932
+	-delta_H	-169.085	kJ/mol	# Calculated enthalpy of reaction	UN1.73(alpha)
+#	Enthalpy of formation:	-398.5 kJ/mol
+        -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002
+#       -Range:  0-200
+
+UO2(AsO3)2
+       UO2(AsO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H2AsO4-
+        log_k           6.9377
+	-delta_H	-109.843	kJ/mol	# Calculated enthalpy of reaction	UO2(AsO3)2
+#	Enthalpy of formation:	-2156.6 kJ/mol
+        -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002
+#       -Range:  0-300
+
+UO2(IO3)2
+       UO2(IO3)2  =  + 1.0000 UO2++ + 2.0000 IO3-
+        log_k           -7.2871
+	-delta_H	-0.3862	kJ/mol	# Calculated enthalpy of reaction	UO2(IO3)2
+#	Enthalpy of formation:	-1461.28 kJ/mol
+        -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001
+#       -Range:  0-200
+
+UO2(NO3)2
+       UO2(NO3)2  =  + 1.0000 UO2++ + 2.0000 NO3-
+        log_k           11.9598
+	-delta_H	-81.6219	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2
+#	Enthalpy of formation:	-1351 kJ/mol
+        -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001
+#       -Range:  0-200
+
+UO2(NO3)2:2H2O
+       UO2(NO3)2:2H2O  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3-
+        log_k           4.9446
+	-delta_H	-25.5995	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:2H2O
+#	Enthalpy of formation:	-1978.7 kJ/mol
+        -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001
+#       -Range:  0-300
+
+UO2(NO3)2:3H2O
+       UO2(NO3)2:3H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O
+        log_k           3.7161
+	-delta_H	-9.73686	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:3H2O
+#	Enthalpy of formation:	-2280.4 kJ/mol
+        -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001
+#       -Range:  0-300
+
+UO2(NO3)2:6H2O
+       UO2(NO3)2:6H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O
+        log_k           2.3189
+	-delta_H	19.8482	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:6H2O
+#	Enthalpy of formation:	-3167.5 kJ/mol
+        -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001
+#       -Range:  0-300
+
+UO2(NO3)2:H2O
+       UO2(NO3)2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3-
+        log_k           8.5103
+	-delta_H	-54.4602	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:H2O
+#	Enthalpy of formation:	-1664 kJ/mol
+        -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001
+#       -Range:  0-200
+
+UO2(OH)2(beta)
+       UO2(OH)2 +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
+        log_k           4.9457
+	-delta_H	-56.8767	kJ/mol	# Calculated enthalpy of reaction	UO2(OH)2(beta)
+#	Enthalpy of formation:	-1533.8 kJ/mol
+        -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001
+#       -Range:  0-300
+
+UO2(PO3)2
+       UO2(PO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4--
+        log_k           -16.2805
+	-delta_H	-58.4873	kJ/mol	# Calculated enthalpy of reaction	UO2(PO3)2
+#	Enthalpy of formation:	-2973 kJ/mol
+        -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002
+#       -Range:  0-300
+
+UO2(am)
+       UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
+        log_k           0.1091
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+UO2.25
+       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
+        log_k           -4.8193
+	-delta_H	-37.1614	kJ/mol	# Calculated enthalpy of reaction	UO2.25
+#	Enthalpy of formation:	-1128.3 kJ/mol
+        -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002
+#       -Range:  0-300
+
+UO2.25(beta)
+       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
+        log_k           -4.7593
+	-delta_H	-38.0614	kJ/mol	# Calculated enthalpy of reaction	UO2.25(beta)
+#	Enthalpy of formation:	-1127.4 kJ/mol
+        -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001
+#       -Range:  0-300
+
+UO2.3333(beta)
+#       UO2.3333 +8.0000 H+  =  + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
+       (UO2.3333)2 + 8.0000 H+  =  0.3333 O2 + 2.0000 U++++ + 4.0000 H2O 
+        log_k           -27.7177
+	-delta_H	-1187.8	kJ/mol	# Calculated enthalpy of reaction	UO2.3333(beta)
+#	Enthalpy of formation:	-1142 kJ/mol
+        -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005
+#       -Range:  0-300
+
+UO2.6667
+#       UO2.6667 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
+       (UO2.6667)2 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O 
+        log_k           -43.6051
+	-delta_H	-1142.24	kJ/mol	# Calculated enthalpy of reaction	UO2.6667
+#	Enthalpy of formation:	-1191.6 kJ/mol
+        -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006
+#       -Range:  0-300
+
+UO2Br2
+       UO2Br2  =  + 1.0000 UO2++ + 2.0000 Br-
+        log_k           16.5103
+	-delta_H	-124.607	kJ/mol	# Calculated enthalpy of reaction	UO2Br2
+#	Enthalpy of formation:	-1137.4 kJ/mol
+        -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002
+#       -Range:  0-300
+
+UO2Br2:3H2O
+       UO2Br2:3H2O  =  + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O
+        log_k           9.4113
+	-delta_H	-61.5217	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:3H2O
+#	Enthalpy of formation:	-2058 kJ/mol
+        -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001
+#       -Range:  0-200
+
+UO2Br2:H2O
+       UO2Br2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br-
+        log_k           12.1233
+	-delta_H	-91.945	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:H2O
+#	Enthalpy of formation:	-1455.9 kJ/mol
+        -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001
+#       -Range:  0-200
+
+UO2BrOH:2H2O
+       UO2BrOH:2H2O +1.0000 H+  =  + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O
+        log_k           4.2026
+	-delta_H	-39.8183	kJ/mol	# Calculated enthalpy of reaction	UO2BrOH:2H2O
+#	Enthalpy of formation:	-1958.2 kJ/mol
+        -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001
+#       -Range:  0-200
+
+UO2CO3
+       UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
+        log_k           -4.1267
+	-delta_H	-19.2872	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
+#	Enthalpy of formation:	-1689.65 kJ/mol
+        -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001
+#       -Range:  0-200
+
+UO2Cl
+       UO2Cl  =  + 1.0000 Cl- + 1.0000 UO2+
+        log_k           -0.5154
+	-delta_H	-21.1067	kJ/mol	# Calculated enthalpy of reaction	UO2Cl
+#	Enthalpy of formation:	-1171.1 kJ/mol
+        -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001
+#       -Range:  0-300
+
+UO2Cl2
+       UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-
+        log_k           12.1394
+	-delta_H	-109.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
+#	Enthalpy of formation:	-1243.6 kJ/mol
+        -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002
+#       -Range:  0-300
+
+UO2Cl2:3H2O
+       UO2Cl2:3H2O  =  + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O
+        log_k           5.6163
+	-delta_H	-45.8743	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:3H2O
+#	Enthalpy of formation:	-2164.8 kJ/mol
+        -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001
+#       -Range:  0-200
+
+UO2Cl2:H2O
+       UO2Cl2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl-
+        log_k           8.2880
+	-delta_H	-79.1977	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:H2O
+#	Enthalpy of formation:	-1559.8 kJ/mol
+        -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001
+#       -Range:  0-200
+
+UO2ClOH:2H2O
+       UO2ClOH:2H2O +1.0000 H+  =  + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O
+        log_k           2.3064
+	-delta_H	-33.1947	kJ/mol	# Calculated enthalpy of reaction	UO2ClOH:2H2O
+#	Enthalpy of formation:	-2010.4 kJ/mol
+        -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001
+#       -Range:  0-200
+
+UO2F2
+       UO2F2  =  + 1.0000 UO2++ + 2.0000 F-
+        log_k           -7.2302
+	-delta_H	-36.1952	kJ/mol	# Calculated enthalpy of reaction	UO2F2
+#	Enthalpy of formation:	-1653.5 kJ/mol
+        -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001
+#       -Range:  0-300
+
+UO2F2:3H2O
+       UO2F2:3H2O  =  + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O
+        log_k           -7.3692
+	-delta_H	-12.8202	kJ/mol	# Calculated enthalpy of reaction	UO2F2:3H2O
+#	Enthalpy of formation:	-2534.39 kJ/mol
+        -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001
+#       -Range:  0-200
+
+UO2FOH
+       UO2FOH +1.0000 H+  =  + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++
+        log_k           -1.8426
+	-delta_H	-41.7099	kJ/mol	# Calculated enthalpy of reaction	UO2FOH
+#	Enthalpy of formation:	-1598.48 kJ/mol
+        -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001
+#       -Range:  0-200
+
+UO2FOH:2H2O
+       UO2FOH:2H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O
+        log_k           -2.6606
+	-delta_H	-21.8536	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:2H2O
+#	Enthalpy of formation:	-2190.01 kJ/mol
+        -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001
+#       -Range:  0-200
+
+UO2FOH:H2O
+       UO2FOH:H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O
+        log_k           -2.2838
+	-delta_H	-31.5243	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:H2O
+#	Enthalpy of formation:	-1894.5 kJ/mol
+        -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001
+#       -Range:  0-200
+
+UO2HPO4
+       UO2HPO4  =  + 1.0000 HPO4-- + 1.0000 UO2++
+        log_k           -12.6782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
+#	Enthalpy of formation:	0 kcal/mol
+
+UO2HPO4:4H2O
+       UO2HPO4:4H2O  =  + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O
+        log_k           -13.0231
+	-delta_H	15.5327	kJ/mol	# Calculated enthalpy of reaction	UO2HPO4:4H2O
+#	Enthalpy of formation:	-3469.97 kJ/mol
+        -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001
+#       -Range:  0-200
+
+UO2SO3
+       UO2SO3  =  + 1.0000 SO3-- + 1.0000 UO2++
+        log_k           -15.9812
+	-delta_H	6.4504	kJ/mol	# Calculated enthalpy of reaction	UO2SO3
+#	Enthalpy of formation:	-1661 kJ/mol
+        -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001
+#       -Range:  0-200
+
+UO2SO4
+       UO2SO4  =  + 1.0000 SO4-- + 1.0000 UO2++
+        log_k           1.9681
+	-delta_H	-83.4616	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
+#	Enthalpy of formation:	-1845.14 kJ/mol
+        -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002
+#       -Range:  0-300
+
+UO2SO4:2.5H2O
+       UO2SO4:2.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O
+        log_k           -1.4912
+	-delta_H	-36.1984	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:2.5H2O
+#	Enthalpy of formation:	-2607 kJ/mol
+        -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001
+#       -Range:  0-200
+
+UO2SO4:3.5H2O
+       UO2SO4:3.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O
+        log_k           -1.4805
+	-delta_H	-27.4367	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3.5H2O
+#	Enthalpy of formation:	-2901.6 kJ/mol
+        -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001
+#       -Range:  0-200
+
+UO2SO4:3H2O
+       UO2SO4:3H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O
+        log_k           -1.4028
+	-delta_H	-34.6176	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3H2O
+#	Enthalpy of formation:	-2751.5 kJ/mol
+        -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001
+#       -Range:  0-200
+
+UO2SO4:H2O
+       UO2SO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++
+        log_k           -6.0233
+	-delta_H	-39.1783	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:H2O
+#	Enthalpy of formation:	-519.9 kcal/mol
+        -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001
+#       -Range:  0-300
+
+UO3(alpha)
+       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
+        log_k           8.6391
+	-delta_H	-87.3383	kJ/mol	# Calculated enthalpy of reaction	UO3(alpha)
+#	Enthalpy of formation:	-1217.5 kJ/mol
+        -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001
+#       -Range:  0-300
+
+UO3(beta)
+       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
+        log_k           8.3095
+	-delta_H	-84.5383	kJ/mol	# Calculated enthalpy of reaction	UO3(beta)
+#	Enthalpy of formation:	-1220.3 kJ/mol
+        -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001
+#       -Range:  0-300
+
+UO3(gamma)
+       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
+        log_k           7.7073
+	-delta_H	-81.0383	kJ/mol	# Calculated enthalpy of reaction	UO3(gamma)
+#	Enthalpy of formation:	-1223.8 kJ/mol
+        -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001
+#       -Range:  0-300
+
+UO3:.9H2O(alpha)
+       UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
+        log_k           5.0167
+	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	UO3:.9H2O(alpha)
+#	Enthalpy of formation:	-1506.3 kJ/mol
+        -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001
+#       -Range:  0-200
+
+UO3:2H2O
+       UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
+        log_k           4.8333
+	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	UO3:2H2O
+#	Enthalpy of formation:	-1826.1 kJ/mol
+        -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001
+#       -Range:  0-300
+
+UOBr2
+       UOBr2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br-
+        log_k           7.9722
+	-delta_H	-146.445	kJ/mol	# Calculated enthalpy of reaction	UOBr2
+#	Enthalpy of formation:	-973.6 kJ/mol
+        -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002
+#       -Range:  0-300
+
+UOBr3
+       UOBr3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br-
+        log_k           23.5651
+	-delta_H	-149.799	kJ/mol	# Calculated enthalpy of reaction	UOBr3
+#	Enthalpy of formation:	-954 kJ/mol
+        -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002
+#       -Range:  0-300
+
+UOCl
+       UOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++
+        log_k           10.3872
+	-delta_H	-108.118	kJ/mol	# Calculated enthalpy of reaction	UOCl
+#	Enthalpy of formation:	-833.9 kJ/mol
+        -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002
+#       -Range:  0-300
+
+UOCl2
+       UOCl2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl-
+        log_k           5.4559
+	-delta_H	-141.898	kJ/mol	# Calculated enthalpy of reaction	UOCl2
+#	Enthalpy of formation:	-1069.3 kJ/mol
+        -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002
+#       -Range:  0-300
+
+UOCl3
+       UOCl3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl-
+        log_k           12.6370
+	-delta_H	-100.528	kJ/mol	# Calculated enthalpy of reaction	UOCl3
+#	Enthalpy of formation:	-1140 kJ/mol
+        -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002
+#       -Range:  0-300
+
+UOF2
+       UOF2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 F-
+        log_k           -18.1473
+	-delta_H	-43.1335	kJ/mol	# Calculated enthalpy of reaction	UOF2
+#	Enthalpy of formation:	-1504.6 kJ/mol
+        -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001
+#       -Range:  0-200
+
+UOF2:H2O
+       UOF2:H2O +2.0000 H+  =  + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O
+        log_k           -18.7019
+	-delta_H	-31.5719	kJ/mol	# Calculated enthalpy of reaction	UOF2:H2O
+#	Enthalpy of formation:	-1802 kJ/mol
+        -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001
+#       -Range:  0-200
+
+UOF4
+       UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F-
+        log_k           4.5737
+	-delta_H	-149.952	kJ/mol	# Calculated enthalpy of reaction	UOF4
+#	Enthalpy of formation:	-1924.6 kJ/mol
+        -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001
+#       -Range:  0-200
+
+UOFOH
+       UOFOH +3.0000 H+  =  + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O
+        log_k           -8.9274
+	-delta_H	-71.5243	kJ/mol	# Calculated enthalpy of reaction	UOFOH
+#	Enthalpy of formation:	-1426.7 kJ/mol
+        -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001
+#       -Range:  0-200
+
+UOFOH:.5H2O
+       UOFOH:.5H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O
+        log_k           24.5669
+	-delta_H	-200.938	kJ/mol	# Calculated enthalpy of reaction	UOFOH:.5H2O
+#	Enthalpy of formation:	-1576.1 kJ/mol
+        -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002
+#       -Range:  0-200
+
+UP
+       UP +2.0000 O2 +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 U+++
+        log_k           233.4928
+	-delta_H	-1487.11	kJ/mol	# Calculated enthalpy of reaction	UP
+#	Enthalpy of formation:	-269.8 kJ/mol
+        -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005
+#       -Range:  0-300
+
+UP2
+       UP2 +3.2500 O2 +1.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4--
+        log_k           360.5796
+	-delta_H	-2301.07	kJ/mol	# Calculated enthalpy of reaction	UP2
+#	Enthalpy of formation:	-304 kJ/mol
+        -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005
+#       -Range:  0-300
+
+UP2O7
+       UP2O7 +1.0000 H2O  =  + 1.0000 U++++ + 2.0000 HPO4--
+        log_k           -32.9922
+	-delta_H	-37.5256	kJ/mol	# Calculated enthalpy of reaction	UP2O7
+#	Enthalpy of formation:	-2852 kJ/mol
+        -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002
+#       -Range:  0-300
+
+UP2O7:20H2O
+       UP2O7:20H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O
+        log_k           -28.6300
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UP2O7:20H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+UPO5
+       UPO5 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+
+        log_k           -19.5754
+	-delta_H	32.6294	kJ/mol	# Calculated enthalpy of reaction	UPO5
+#	Enthalpy of formation:	-2064 kJ/mol
+        -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001
+#       -Range:  0-300
+
+US
+       US +2.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++
+        log_k           46.6547
+	-delta_H	-322.894	kJ/mol	# Calculated enthalpy of reaction	US
+#	Enthalpy of formation:	-322.2 kJ/mol
+        -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002
+#       -Range:  0-300
+
+US1.9
+       US1.9 +1.9000 H+  =  + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS-
+        log_k           -2.2816
+	-delta_H	-91.486	kJ/mol	# Calculated enthalpy of reaction	US1.9
+#	Enthalpy of formation:	-509.9 kJ/mol
+        -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002
+#       -Range:  0-300
+
+US2
+       US2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HS-
+        log_k           -2.3324
+	-delta_H	-103.017	kJ/mol	# Calculated enthalpy of reaction	US2
+#	Enthalpy of formation:	-520.4 kJ/mol
+        -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002
+#       -Range:  0-300
+
+US3
+       US3 +2.0000 H2O  =  + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS-
+        log_k           -16.6370
+	-delta_H	43.9515	kJ/mol	# Calculated enthalpy of reaction	US3
+#	Enthalpy of formation:	-539.6 kJ/mol
+        -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001
+#       -Range:  0-300
+
+USb
+       USb +3.0000 H+ +1.5000 O2  =  + 1.0000 Sb(OH)3 + 1.0000 U+++
+        log_k           176.0723
+	-delta_H	-1106.19	kJ/mol	# Calculated enthalpy of reaction	USb
+#	Enthalpy of formation:	-138.5 kJ/mol
+
+USb2
+       USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 2.0000 Sb(OH)3
+        log_k           223.1358
+	-delta_H	-1407.02	kJ/mol	# Calculated enthalpy of reaction	USb2
+#	Enthalpy of formation:	-173.6 kJ/mol
+
+Uranium-selenide
+       1.0USe +1.7500 O2 +1.0000 H+  =  + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++
+        log_k           125.6086
+	-delta_H	-844.278	kJ/mol	# Calculated enthalpy of reaction	Uranium-selenide
+#	Enthalpy of formation:	-275.7 kJ/mol
+        -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002
+#       -Range:  0-300
+
+USe2(alpha)
+       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
+        log_k           125.4445
+	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(alpha)
+#	Enthalpy of formation:	-427 kJ/mol
+        -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002
+#       -Range:  0-300
+
+USe2(beta)
+       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
+        log_k           125.2868
+	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(beta)
+#	Enthalpy of formation:	-427 kJ/mol
+        -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002
+#       -Range:  0-300
+
+USe3
+       USe3 +3.7500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3--
+        log_k           147.2214
+	-delta_H	-1090.42	kJ/mol	# Calculated enthalpy of reaction	USe3
+#	Enthalpy of formation:	-452 kJ/mol
+        -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002
+#       -Range:  0-200
+
+Umangite
+        Cu3Se2  =  + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se--
+        log_k           -93.8412
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Umangite
+#	Enthalpy of formation:	-25 kcal/mol
+        -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002
+#       -Range:  0-200
+
+Uraninite
+        UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
+        log_k           -4.8372
+	-delta_H	-77.8767	kJ/mol	# Calculated enthalpy of reaction	Uraninite
+#	Enthalpy of formation:	-1085 kJ/mol
+        -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001
+#       -Range:  0-300
+
+Uranocircite
+        Ba(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++
+        log_k           -19.8057
+	-delta_H	-72.3317	kJ/mol	# Calculated enthalpy of reaction	Uranocircite
+#	Enthalpy of formation:	-1215.94 kcal/mol
+        -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001
+#       -Range:  0-200
+
+Uranophane
+        Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
+        log_k           17.2850
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Uranophane
+#	Enthalpy of formation:	0 kcal/mol
+
+V
+       V +3.0000 H+ +0.7500 O2  =  + 1.0000 V+++ + 1.5000 H2O
+        log_k           106.9435
+	-delta_H	-680.697	kJ/mol	# Calculated enthalpy of reaction	V
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005
+#       -Range:  0-300
+
+V2O4
+       V2O4 +4.0000 H+  =  + 2.0000 H2O + 2.0000 VO++
+        log_k           8.5719
+	-delta_H	-117.564	kJ/mol	# Calculated enthalpy of reaction	V2O4
+#	Enthalpy of formation:	-1427.31 kJ/mol
+        -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002
+#       -Range:  0-300
+
+V3O5
+       V3O5 +8.0000 H+  =  + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O
+        log_k           13.4312
+	-delta_H	-218.857	kJ/mol	# Calculated enthalpy of reaction	V3O5
+#	Enthalpy of formation:	-1933.17 kJ/mol
+        -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002
+#       -Range:  0-200
+
+V4O7
+       V4O7 +10.0000 H+  =  + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O
+        log_k           18.7946
+	-delta_H	-284.907	kJ/mol	# Calculated enthalpy of reaction	V4O7
+#	Enthalpy of formation:	-2639.56 kJ/mol
+        -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002
+#       -Range:  0-200
+
+Vaesite
+        NiS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS-
+        log_k           -26.7622
+	-delta_H	110.443	kJ/mol	# Calculated enthalpy of reaction	Vaesite
+#	Enthalpy of formation:	-32.067 kcal/mol
+        -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002
+#       -Range:  0-200
+
+Vivianite
+        Fe3(PO4)2:8H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O
+        log_k           -4.7237
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Vivianite
+#	Enthalpy of formation:	0 kcal/mol
+
+W
+       W +1.5000 O2 +1.0000 H2O  =  + 1.0000 WO4-- + 2.0000 H+
+        log_k           123.4334
+	-delta_H	-771.668	kJ/mol	# Calculated enthalpy of reaction	W
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002
+#       -Range:  0-300
+
+Wairakite
+        CaAl2Si4O10(OH)4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O
+        log_k           18.0762
+	-delta_H	-237.781	kJ/mol	# Calculated enthalpy of reaction	Wairakite
+#	Enthalpy of formation:	-1579.33 kcal/mol
+        -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006
+#       -Range:  0-300
+
+Weeksite
+        K2(UO2)2(Si2O5)3:4H2O +6.0000 H+  =  + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O
+        log_k           15.3750
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Weeksite
+#	Enthalpy of formation:	0 kcal/mol
+
+Whitlockite
+        Ca3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ca++
+        log_k           -4.2249
+	-delta_H	-116.645	kJ/mol	# Calculated enthalpy of reaction	Whitlockite
+#	Enthalpy of formation:	-4096.77 kJ/mol
+        -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002
+#       -Range:  0-300
+
+Wilkmanite
+        Ni3Se4 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se--
+        log_k           -152.8793
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Wilkmanite
+#	Enthalpy of formation:	-60.285 kcal/mol
+        -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005
+#       -Range:  0-300
+
+Witherite
+        BaCO3 +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HCO3-
+        log_k           -2.9965
+	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
+#	Enthalpy of formation:	-297.5 kcal/mol
+        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
+#       -Range:  0-300
+
+Wollastonite
+        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
+        log_k           13.7605
+	-delta_H	-76.5756	kJ/mol	# Calculated enthalpy of reaction	Wollastonite
+#	Enthalpy of formation:	-389.59 kcal/mol
+        -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005
+#       -Range:  0-300
+
+Wurtzite
+        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
+        log_k           -9.1406
+	-delta_H	22.3426	kJ/mol	# Calculated enthalpy of reaction	Wurtzite
+#	Enthalpy of formation:	-45.85 kcal/mol
+        -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001
+#       -Range:  0-300
+
+Wustite
+        Fe.947O +2.0000 H+  =  + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O
+        log_k           12.4113
+	-delta_H	-102.417	kJ/mol	# Calculated enthalpy of reaction	Wustite
+#	Enthalpy of formation:	-266.265 kJ/mol
+        -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002
+#       -Range:  0-300
+
+Xonotlite
+        Ca6Si6O17(OH)2 +12.0000 H+  =  + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O
+        log_k           91.8267
+	-delta_H	-495.457	kJ/mol	# Calculated enthalpy of reaction	Xonotlite
+#	Enthalpy of formation:	-2397.25 kcal/mol
+        -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002
+#       -Range:  0-200
+
+Y
+       Y +3.0000 H+ +0.7500 O2  =  + 1.0000 Y+++ + 1.5000 H2O
+        log_k           184.5689
+	-delta_H	-1134.7	kJ/mol	# Calculated enthalpy of reaction	Y
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002
+#       -Range:  0-300
+
+Yb
+       Yb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Yb++
+        log_k           137.1930
+	-delta_H	-810.303	kJ/mol	# Calculated enthalpy of reaction	Yb
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002
+#       -Range:  0-300
+
+Yb(OH)3
+       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
+        log_k           14.6852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Yb(OH)3(am)
+       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
+        log_k           18.9852
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3(am)
+#	Enthalpy of formation:	0 kcal/mol
+
+Yb2(CO3)3
+       Yb2(CO3)3 +3.0000 H+  =  + 2.0000 Yb+++ + 3.0000 HCO3-
+        log_k           -2.3136
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2(CO3)3
+#	Enthalpy of formation:	0 kcal/mol
+
+Yb2O3
+       Yb2O3 +6.0000 H+  =  + 2.0000 Yb+++ + 3.0000 H2O
+        log_k           47.8000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2O3
+#	Enthalpy of formation:	0 kcal/mol
+
+YbF3:.5H2O
+       YbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F-
+        log_k           -16.0000
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbF3:.5H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+YbPO4:10H2O
+       YbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O
+        log_k           -11.7782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4:10H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+Zincite
+        ZnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Zn++
+        log_k           11.2087
+	-delta_H	-88.7638	kJ/mol	# Calculated enthalpy of reaction	Zincite
+#	Enthalpy of formation:	-350.46 kJ/mol
+        -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002
+#       -Range:  0-300
+
+Zircon
+        ZrSiO4 +2.0000 H+  =  + 1.0000 SiO2 + 1.0000 Zr(OH)2++
+        log_k           -15.4193
+	-delta_H	64.8635	kJ/mol	# Calculated enthalpy of reaction	Zircon
+#	Enthalpy of formation:	-2033.4 kJ/mol
+        -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005
+#       -Range:  0-300
+
+Zn
+       Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++
+        log_k           68.8035
+	-delta_H	-433.157	kJ/mol	# Calculated enthalpy of reaction	Zn
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002
+#       -Range:  0-300
+
+Zn(BO2)2
+       Zn(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Zn++ + 2.0000 B(OH)3
+        log_k           8.3130
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(BO2)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn(ClO4)2:6H2O
+       Zn(ClO4)2:6H2O  =  + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O
+        log_k           5.6474
+	-delta_H	6.31871	kJ/mol	# Calculated enthalpy of reaction	Zn(ClO4)2:6H2O
+#	Enthalpy of formation:	-2133.39 kJ/mol
+        -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002
+#       -Range:  0-200
+
+Zn(IO3)2
+       Zn(IO3)2  =  + 1.0000 Zn++ + 2.0000 IO3-
+        log_k           -5.3193
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(IO3)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn(NO3)2:6H2O
+       Zn(NO3)2:6H2O  =  + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O
+        log_k           3.4102
+	-delta_H	24.7577	kJ/mol	# Calculated enthalpy of reaction	Zn(NO3)2:6H2O
+#	Enthalpy of formation:	-2306.8 kJ/mol
+        -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001
+#       -Range:  0-200
+
+Zn(OH)2(beta)
+       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
+        log_k           11.9341
+	-delta_H	-83.2111	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(beta)
+#	Enthalpy of formation:	-641.851 kJ/mol
+        -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002
+#       -Range:  0-200
+
+Zn(OH)2(epsilon)
+       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
+        log_k           11.6625
+	-delta_H	-81.7811	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(epsilon)
+#	Enthalpy of formation:	-643.281 kJ/mol
+        -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002
+#       -Range:  0-200
+
+Zn(OH)2(gamma)
+       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
+        log_k           11.8832
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2(gamma)
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn2(OH)3Cl
+       Zn2(OH)3Cl +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O
+        log_k           15.2921
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2(OH)3Cl
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn2SO4(OH)2
+       Zn2SO4(OH)2 +2.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++
+        log_k           7.5816
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2SO4(OH)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn2SiO4
+       Zn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++
+        log_k           13.8695
+	-delta_H	-119.399	kJ/mol	# Calculated enthalpy of reaction	Zn2SiO4
+#	Enthalpy of formation:	-1636.75 kJ/mol
+        -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000
+#       -Range:  0-200
+
+Zn2TiO4
+       Zn2TiO4 +4.0000 H+  =  + 1.0000 Ti(OH)4 + 2.0000 Zn++
+        log_k           12.3273
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2TiO4
+#	Enthalpy of formation:	-1647.85 kJ/mol
+
+Zn3(AsO4)2
+       Zn3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Zn++
+        log_k           9.3122
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn3(AsO4)2
+#	Enthalpy of formation:	0 kcal/mol
+
+Zn3O(SO4)2
+       Zn3O(SO4)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++
+        log_k           19.1188
+	-delta_H	-258.253	kJ/mol	# Calculated enthalpy of reaction	Zn3O(SO4)2
+#	Enthalpy of formation:	-2306.95 kJ/mol
+        -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002
+#       -Range:  0-200
+
+Zn5(NO3)2(OH)8
+       Zn5(NO3)2(OH)8 +8.0000 H+  =  + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O
+        log_k           42.6674
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn5(NO3)2(OH)8
+#	Enthalpy of formation:	0 kcal/mol
+
+ZnBr2
+       ZnBr2  =  + 1.0000 Zn++ + 2.0000 Br-
+        log_k           7.5787
+	-delta_H	-67.7622	kJ/mol	# Calculated enthalpy of reaction	ZnBr2
+#	Enthalpy of formation:	-328.63 kJ/mol
+        -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001
+#       -Range:  0-200
+
+ZnBr2:2H2O
+       ZnBr2:2H2O  =  + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O
+        log_k           5.2999
+	-delta_H	-30.9268	kJ/mol	# Calculated enthalpy of reaction	ZnBr2:2H2O
+#	Enthalpy of formation:	-937.142 kJ/mol
+        -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001
+#       -Range:  0-200
+
+ZnCO3:H2O
+       ZnCO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++
+        log_k           0.1398
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3:H2O
+#	Enthalpy of formation:	0 kcal/mol
+
+ZnCl2
+       ZnCl2  =  + 1.0000 Zn++ + 2.0000 Cl-
+        log_k           7.0880
+	-delta_H	-72.4548	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
+#	Enthalpy of formation:	-415.09 kJ/mol
+        -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001
+#       -Range:  0-200
+
+ZnCl2(NH3)2
+       ZnCl2(NH3)2  =  + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3
+        log_k           -6.9956
+	-delta_H	27.2083	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)2
+#	Enthalpy of formation:	-677.427 kJ/mol
+        -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000
+#       -Range:  0-200
+
+ZnCl2(NH3)4
+       ZnCl2(NH3)4  =  + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3
+        log_k           -6.6955
+	-delta_H	56.2004	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)4
+#	Enthalpy of formation:	-869.093 kJ/mol
+        -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000
+#       -Range:  0-200
+
+ZnCl2(NH3)6
+       ZnCl2(NH3)6  =  + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3
+        log_k           -4.7311
+	-delta_H	77.4225	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)6
+#	Enthalpy of formation:	-1052.99 kJ/mol
+        -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001
+#       -Range:  0-200
+
+ZnCr2O4
+       ZnCr2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O
+        log_k           7.9161
+	-delta_H	-221.953	kJ/mol	# Calculated enthalpy of reaction	ZnCr2O4
+#	Enthalpy of formation:	-370.88 kcal/mol
+        -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002
+#       -Range:  0-200
+
+ZnF2
+       ZnF2  =  + 1.0000 Zn++ + 2.0000 F-
+        log_k           -0.4418
+	-delta_H	-59.8746	kJ/mol	# Calculated enthalpy of reaction	ZnF2
+#	Enthalpy of formation:	-764.206 kJ/mol
+        -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002
+#       -Range:  0-300
+
+ZnI2
+       ZnI2  =  + 1.0000 Zn++ + 2.0000 I-
+        log_k           7.3885
+	-delta_H	-59.2332	kJ/mol	# Calculated enthalpy of reaction	ZnI2
+#	Enthalpy of formation:	-207.957 kJ/mol
+        -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001
+#       -Range:  0-200
+
+ZnSO4
+       ZnSO4  =  + 1.0000 SO4-- + 1.0000 Zn++
+        log_k           3.5452
+	-delta_H	-80.132	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
+#	Enthalpy of formation:	-982.855 kJ/mol
+        -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001
+#       -Range:  0-200
+
+ZnSO4:6H2O
+       ZnSO4:6H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O
+        log_k           -1.6846
+	-delta_H	-0.412008	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:6H2O
+#	Enthalpy of formation:	-2777.61 kJ/mol
+        -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001
+#       -Range:  0-200
+
+ZnSO4:7H2O
+       ZnSO4:7H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O
+        log_k           -1.8683
+	-delta_H	14.0417	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:7H2O
+#	Enthalpy of formation:	-3077.9 kJ/mol
+        -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001
+#       -Range:  0-200
+
+ZnSO4:H2O
+       ZnSO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++
+        log_k           -0.5383
+	-delta_H	-44.2824	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:H2O
+#	Enthalpy of formation:	-1304.54 kJ/mol
+        -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001
+#       -Range:  0-200
+
+ZnSeO3:H2O
+       ZnSeO3:H2O  =  + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++
+        log_k           -6.7408
+	-delta_H	-17.9056	kJ/mol	# Calculated enthalpy of reaction	ZnSeO3:H2O
+#	Enthalpy of formation:	-930.511 kJ/mol
+        -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000
+#       -Range:  0-200
+
+Zoisite
+        Ca2Al3(SiO4)3OH +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
+        log_k           43.3017
+	-delta_H	-458.131	kJ/mol	# Calculated enthalpy of reaction	Zoisite
+#	Enthalpy of formation:	-1643.69 kcal/mol
+        -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002
+#       -Range:  0-300
+
+Zr
+       Zr +2.0000 H+ +1.0000 O2  =  + 1.0000 Zr(OH)2++
+        log_k           177.6471
+	-delta_H	-1078.71	kJ/mol	# Calculated enthalpy of reaction	Zr
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005
+#       -Range:  0-300
+
+ZrB2
+       ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2  =  + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++
+        log_k           103.4666
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrB2
+#	Enthalpy of formation:	-326.628 kJ/mol
+
+ZrC
+       ZrC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++
+        log_k           207.0906
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrC
+#	Enthalpy of formation:	-203.008 kJ/mol
+
+ZrCl
+       ZrCl +3.0000 H+ +0.7500 O2  =  + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O
+        log_k           130.9450
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl
+#	Enthalpy of formation:	-303.211 kJ/mol
+
+ZrCl2
+       ZrCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl-
+        log_k           96.3205
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl2
+#	Enthalpy of formation:	-531.021 kJ/mol
+
+ZrCl3
+       ZrCl3 +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl-
+        log_k           62.4492
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl3
+#	Enthalpy of formation:	-754.997 kJ/mol
+
+ZrCl4
+       ZrCl4  =  + 1.0000 Zr++++ + 4.0000 Cl-
+        log_k           27.9824
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl4
+#	Enthalpy of formation:	-980.762 kJ/mol
+
+ZrF4(beta)
+       ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-
+        log_k           -27.7564
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(beta)
+#	Enthalpy of formation:	-1911.26 kJ/mol
+
+ZrH2
+       ZrH2 +4.0000 H+ +1.5000 O2  =  + 1.0000 Zr++++ + 3.0000 H2O
+        log_k           198.3224
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrH2
+#	Enthalpy of formation:	-168.946 kJ/mol
+
+ZrN
+       ZrN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++
+        log_k           59.1271
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrN
+#	Enthalpy of formation:	-365 kJ/mol
+
+O-phthalic_acid
+       H2O_phthalate =  + 1.0000 O_phthalate-2 + 2.0000 H+
+        log_k           -9.7755
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O-phthalic_acid
+#	Enthalpy of formation:	-186.88 kJ/mol
+        -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001
+#       -Range:  0-200
+Br2(l)
+       Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+
+        log_k           -6.5419
+	-delta_H	36.7648	kJ/mol	# Calculated enthalpy of reaction	Br2(l)
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001
+#       -Range:  0-300
+
+Hg(l)
+       Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++
+        log_k           14.1505
+	-delta_H	-109.608	kJ/mol	# Calculated enthalpy of reaction	Hg(l)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002
+#       -Range:  0-300
+
+Ag(g)
+        Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+ 
+        log_k           51.0924
+	-delta_H	-319.035	kJ/mol	# Calculated enthalpy of reaction	Ag(g)
+#	Enthalpy of formation:	284.9 kJ/mol
+        -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Al(g)
+        Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O 
+        log_k           200.6258
+	-delta_H	-1288.06	kJ/mol	# Calculated enthalpy of reaction	Al(g)
+#	Enthalpy of formation:	330 kJ/mol
+        -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003
+#       -Range:  0-200
+
+Am(g)
+        Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O 
+        log_k           211.7865
+	-delta_H	-1320.16	kJ/mol	# Calculated enthalpy of reaction	Am(g)
+#	Enthalpy of formation:	283.8 kJ/mol
+        -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-300
+
+AmF3(g)
+        AmF3  =  + 1.0000 Am+++ + 3.0000 F-     
+        log_k           49.8631
+	-delta_H	-455.843	kJ/mol	# Calculated enthalpy of reaction	AmF3(g)
+#	Enthalpy of formation:	-1166.9 kJ/mol
+        -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002
+#       -Range:  0-200
+
+Ar(g)
+        Ar  =  + 1.0000 Ar       
+        log_k           -2.8587
+	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	Ar(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005
+#       -Range:  0-300
+
+B(g)
+        B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3   
+        log_k           200.8430
+	-delta_H	-1201.68	kJ/mol	# Calculated enthalpy of reaction	B(g)
+#	Enthalpy of formation:	565 kJ/mol
+        -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002
+#       -Range:  0-200
+
+BF3(g)
+        BF3 +3.0000 H2O  =  + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+ 
+        log_k           -2.9664
+	-delta_H	-87.0627	kJ/mol	# Calculated enthalpy of reaction	BF3(g)
+#	Enthalpy of formation:	-1136 kJ/mol
+        -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000
+#       -Range:  0-200
+
+Be(g)
+        Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O 
+        log_k           361.9343
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Be(g)
+#	Enthalpy of formation:	0 kcal/mol
+
+Br2(g)
+        Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ 
+        log_k           -5.9979
+	-delta_H	5.85481	kJ/mol	# Calculated enthalpy of reaction	Br2(g)
+#	Enthalpy of formation:	30.91 kJ/mol
+        -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001
+#       -Range:  0-200
+
+C(g)
+        C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
+        log_k           181.7723
+	-delta_H	-1108.64	kJ/mol	# Calculated enthalpy of reaction	C(g)
+#	Enthalpy of formation:	716.68 kJ/mol
+        -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002
+#       -Range:  0-200
+
+C2H4(g)
+        C2H4  =  + 1.0000  C2H4
+        log_k           -2.3236
+	-delta_H	-16.4431	kJ/mol	# Calculated enthalpy of reaction	Ethylene(g)
+#	Enthalpy of formation:	12.5 kcal/mol
+        -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005
+#       -Range:  0-300
+
+CH4(g)
+        CH4  =  + 1.0000 CH4 
+        log_k           -2.8502
+	-delta_H	-13.0959	kJ/mol	# Calculated enthalpy of reaction	CH4(g)
+#	Enthalpy of formation:	-17.88 kcal/mol
+        -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
+#       -Range:  0-300
+
+CO(g)
+#        CO +1.0000 H2O +0.5000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
+#        log_k           38.6934
+#        -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002
+#       -Range:  0-300
+	CO = CO
+	log_k	-3.0068
+	-delta_H	-10.4349	kJ/mol	# Calculated enthalpy of reaction	CO(g)
+#	Enthalpy of formation:	-26.416 kcal/mol
+	-analytic   -8.0849e+000    9.2114e-003    0.0000e+000    0.0000e+000    2.0813e+005
+#       -Range:  0-300
+
+CO2(g)
+        CO2 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HCO3-   
+        log_k           -7.8136
+	-delta_H	-10.5855	kJ/mol	# Calculated enthalpy of reaction	CO2(g)
+#	Enthalpy of formation:	-94.051 kcal/mol
+        -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001
+#       -Range:  0-300
+
+Ca(g)
+        Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O 
+        log_k           165.0778
+	-delta_H	-1000.65	kJ/mol	# Calculated enthalpy of reaction	Ca(g)
+#	Enthalpy of formation:	177.8 kJ/mol
+        -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Cd(g)
+        Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O 
+        log_k           70.1363
+	-delta_H	-467.469	kJ/mol	# Calculated enthalpy of reaction	Cd(g)
+#	Enthalpy of formation:	111.8 kJ/mol
+        -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Cl2(g)
+        Cl2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+ 
+        log_k           3.0004
+	-delta_H	-54.3878	kJ/mol	# Calculated enthalpy of reaction	Cl2(g)
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001
+#       -Range:  0-200
+
+Cs(g)
+        Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+ 
+        log_k           81.2805
+	-delta_H	-474.413	kJ/mol	# Calculated enthalpy of reaction	Cs(g)
+#	Enthalpy of formation:	76.5 kJ/mol
+        -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002
+#       -Range:  0-200
+
+Cu(g)
+        Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O 
+        log_k           83.6618
+	-delta_H	-551.483	kJ/mol	# Calculated enthalpy of reaction	Cu(g)
+#	Enthalpy of formation:	337.4 kJ/mol
+        -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+F2(g)
+        F2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 F- + 2.0000 H+ 
+        log_k           55.7197
+	-delta_H	-390.924	kJ/mol	# Calculated enthalpy of reaction	F2(g)
+#	Enthalpy of formation:	0 kJ/mol
+        -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002
+#       -Range:  0-200
+
+H2(g)
+#        H2 +0.5000 O2  =  + 1.0000 H2O     
+#        log_k           43.0016
+#        -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004
+#       -Range:  0-300
+	H2 = H2
+	log_k	-3.1050
+	-delta_H	-4.184	kJ/mol	# Calculated enthalpy of reaction	H2(g)
+#	Enthalpy of formation:	0 kcal/mol
+	-analytic   -9.3114e+000    4.6473e-003   -4.9335e+001    1.4341e+000    1.2815e+005
+#	-Range:	0-300
+
+H2O(g)
+        H2O  =  + 1.0000 H2O       
+        log_k           1.5854
+	-delta_H	-43.4383	kJ/mol	# Calculated enthalpy of reaction	H2O(g)
+#	Enthalpy of formation:	-57.935 kcal/mol
+        -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001
+#       -Range:  0-300
+
+H2S(g)
+        H2S  =  + 1.0000 H+ + 1.0000 HS-     
+        log_k           -7.9759
+	-delta_H	4.5229	kJ/mol	# Calculated enthalpy of reaction	H2S(g)
+#	Enthalpy of formation:	-4.931 kcal/mol
+        -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
+#       -Range:  0-300
+
+HBr(g)
+        HBr  =  + 1.0000 Br- + 1.0000 H+     
+        log_k           8.8815
+	-delta_H	-85.2134	kJ/mol	# Calculated enthalpy of reaction	HBr(g)
+#	Enthalpy of formation:	-36.29 kJ/mol
+        -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001
+#       -Range:  0-200
+
+HCl(g)
+        HCl  =  + 1.0000 Cl- + 1.0000 H+     
+        log_k           6.3055
+	-delta_H	-74.7697	kJ/mol	# Calculated enthalpy of reaction	HCl(g)
+#	Enthalpy of formation:	-92.31 kJ/mol
+        -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001
+#       -Range:  0-200
+
+HF(g)
+        HF  =  + 1.0000 F- + 1.0000 H+     
+        log_k           1.1126
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
+#	Enthalpy of formation:	619.234 kJ/mol
+        -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001
+#       -Range:  0-200
+
+HI(g)
+        HI  =  + 1.0000 H+ + 1.0000 I-     
+        log_k           9.3944
+	-delta_H	-83.4024	kJ/mol	# Calculated enthalpy of reaction	HI(g)
+#	Enthalpy of formation:	26.5 kJ/mol
+        -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+He(g)
+        He  =  + 1.0000 He       
+        log_k           -3.4143
+	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	He(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004
+#       -Range:  0-300
+
+Hf(g)
+        Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O 
+        log_k           290.9782
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
+#	Enthalpy of formation:	0 kJ/mol
+
+Hg(g)
+        Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++ 
+        log_k           19.7290
+	-delta_H	-170.988	kJ/mol	# Calculated enthalpy of reaction	Hg(g)
+#	Enthalpy of formation:	61.38 kJ/mol
+        -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002
+#       -Range:  0-200
+
+I2(g)
+        I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I- 
+        log_k           -21.4231
+	-delta_H	103.547	kJ/mol	# Calculated enthalpy of reaction	I2(g)
+#	Enthalpy of formation:	62.42 kJ/mol
+        -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002
+#       -Range:  0-200
+
+K(g)
+        K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+ 
+        log_k           81.5815
+	-delta_H	-481.055	kJ/mol	# Calculated enthalpy of reaction	K(g)
+#	Enthalpy of formation:	89 kJ/mol
+        -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002
+#       -Range:  0-200
+
+Kr(g)
+        Kr  =  + 1.0000 Kr       
+        log_k           -2.6051
+	-delta_H	-15.2716	kJ/mol	# Calculated enthalpy of reaction	Kr(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005
+#       -Range:  0-300
+
+Li(g)
+        Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+ 
+        log_k           94.9423
+	-delta_H	-577.639	kJ/mol	# Calculated enthalpy of reaction	Li(g)
+#	Enthalpy of formation:	159.3 kJ/mol
+        -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002
+#       -Range:  0-200
+
+Mg(g)
+        Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++ 
+        log_k           142.2494
+	-delta_H	-892.831	kJ/mol	# Calculated enthalpy of reaction	Mg(g)
+#	Enthalpy of formation:	147.1 kJ/mol
+        -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002
+#       -Range:  0-200
+
+N2(g)
+#        N2 +3.0000 H2O  =  + 1.5000 O2 + 2.0000 NH3   
+#        log_k           -119.6473
+#        -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005
+#       -Range:  0-300
+	N2 = N2
+	log_k 		-3.1864 
+	-delta_H	-10.4391	kJ/mol	# Calculated enthalpy of reaction	N2(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -7.6452e+000    7.9606e-003    0.0000e+000    0.0000e+000    1.8604e+005
+#       -Range:  0-300
+NH3(g)
+        NH3  =  + 1.0000 NH3       
+        log_k           1.7966
+	-delta_H	-35.2251	kJ/mol	# Calculated enthalpy of reaction	NH3(g)
+#	Enthalpy of formation:	-11.021 kcal/mol
+        -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001
+#       -Range:  0-300
+
+NO(g)
+        NO +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO2- 
+        log_k           0.7554
+	-delta_H	-48.8884	kJ/mol	# Calculated enthalpy of reaction	NO(g)
+#	Enthalpy of formation:	90.241 kJ/mol
+        -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001
+#       -Range:  0-300
+
+NO2(g)
+        NO2 +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO3- 
+        log_k           8.3673
+	-delta_H	-94.0124	kJ/mol	# Calculated enthalpy of reaction	NO2(g)
+#	Enthalpy of formation:	33.154 kJ/mol
+        -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002
+#       -Range:  0-300
+
+Na(g)
+        Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+ 
+        log_k           80.8640
+	-delta_H	-487.685	kJ/mol	# Calculated enthalpy of reaction	Na(g)
+#	Enthalpy of formation:	107.5 kJ/mol
+        -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Ne(g)
+        Ne  =  + 1.0000 Ne       
+        log_k           -3.3462
+	-delta_H	-3.64008	kJ/mol	# Calculated enthalpy of reaction	Ne(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005
+#       -Range:  0-300
+
+O2(g)
+        O2  =  + 1.0000 O2       
+        log_k           -2.8983
+	-delta_H	-12.1336	kJ/mol	# Calculated enthalpy of reaction	O2(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
+#       -Range:  0-300
+
+Pb(g)
+        Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++ 
+        log_k           75.6090
+	-delta_H	-474.051	kJ/mol	# Calculated enthalpy of reaction	Pb(g)
+#	Enthalpy of formation:	195.2 kJ/mol
+        -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002
+#       -Range:  0-200
+
+Rb(g)
+        Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+ 
+        log_k           80.4976
+	-delta_H	-471.909	kJ/mol	# Calculated enthalpy of reaction	Rb(g)
+#	Enthalpy of formation:	80.9 kJ/mol
+        -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002
+#       -Range:  0-200
+
+Rn(g)
+        Rn  =  + 1.0000 Rn       
+        log_k           -2.0451
+	-delta_H	-20.92	kJ/mol	# Calculated enthalpy of reaction	Rn(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005
+#       -Range:  0-300
+
+RuCl3(g)
+        RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-     
+        log_k           41.5503
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3(g)
+#	Enthalpy of formation:	16.84 kJ/mol
+
+RuO3(g)
+        RuO3 +1.0000 H2O  =  + 1.0000 RuO4-- + 2.0000 H+   
+        log_k           2.3859
+	-delta_H	-100.369	kJ/mol	# Calculated enthalpy of reaction	RuO3(g)
+#	Enthalpy of formation:	-70.868 kJ/mol
+        -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001
+#       -Range:  0-200
+
+S2(g)
+        S2 +2.0000 H2O  =  + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+ 
+        log_k           -7.1449
+	-delta_H	-35.656	kJ/mol	# Calculated enthalpy of reaction	S2(g)
+#	Enthalpy of formation:	30.681 kcal/mol
+        -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001
+#       -Range:  0-300
+
+SO2(g)
+	SO2 = SO2
+	log_k	0.1700
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SO2(g)
+#	Enthalpy of formation:	0 kcal/mol
+	-analytic   -2.0205e+001    2.8861e-003    1.4862e+003    5.2958e+000    1.2721e+005
+#       -Range:  0-300
+
+Si(g)
+        Si +1.0000 O2  =  + 1.0000 SiO2     
+        log_k           219.9509
+	-delta_H	-1315.57	kJ/mol	# Calculated enthalpy of reaction	Si(g)
+#	Enthalpy of formation:	450 kJ/mol
+        -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002
+#       -Range:  0-200
+
+SiF4(g)
+        SiF4 +2.0000 H2O  =  + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+ 
+        log_k           -15.1931
+	-delta_H	-32.4123	kJ/mol	# Calculated enthalpy of reaction	SiF4(g)
+#	Enthalpy of formation:	-1615 kJ/mol
+        -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002
+#       -Range:  0-200
+
+Sn(g)
+        Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++ 
+        log_k           94.5019
+	-delta_H	-589.758	kJ/mol	# Calculated enthalpy of reaction	Sn(g)
+#	Enthalpy of formation:	301.2 kJ/mol
+        -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002
+#       -Range:  0-200
+
+Tc2O7(g)
+        Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-   
+        log_k           21.3593
+	-delta_H	-158.131	kJ/mol	# Calculated enthalpy of reaction	Tc2O7(g)
+#	Enthalpy of formation:	-988.569 kJ/mol
+        -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001
+#       -Range:  0-200
+
+Th(g)
+        Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O 
+        log_k           307.8413
+	-delta_H	-1930.56	kJ/mol	# Calculated enthalpy of reaction	Th(g)
+#	Enthalpy of formation:	602 kJ/mol
+        -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003
+#       -Range:  0-200
+
+Ti(g)
+        Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4   
+        log_k           224.3510
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(g)
+#	Enthalpy of formation:	473 kJ/mol
+
+TiBr4(g)
+        TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ 
+        log_k           36.6695
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4(g)
+#	Enthalpy of formation:	-549.339 kJ/mol
+
+TiCl4(g)
+        TiCl4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+ 
+        log_k           28.0518
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl4(g)
+#	Enthalpy of formation:	-763.2 kJ/mol
+
+TiO(g)
+        TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4   
+        log_k           145.5711
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(g)
+#	Enthalpy of formation:	17.144 kJ/mol
+
+U(g)
+        U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
+        log_k           298.3441
+	-delta_H	-1819.64	kJ/mol	# Calculated enthalpy of reaction	U(g)
+#	Enthalpy of formation:	533 kJ/mol
+        -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003
+#       -Range:  0-300
+
+U2Cl10(g)
+        U2Cl10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl- 
+        log_k           82.7621
+	-delta_H	-609.798	kJ/mol	# Calculated enthalpy of reaction	U2Cl10(g)
+#	Enthalpy of formation:	-1967.9 kJ/mol
+        -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002
+#       -Range:  0-300
+
+U2Cl8(g)
+        U2Cl8  =  + 2.0000 U++++ + 8.0000 Cl-     
+        log_k           82.4059
+	-delta_H	-769.437	kJ/mol	# Calculated enthalpy of reaction	U2Cl8(g)
+#	Enthalpy of formation:	-1749.6 kJ/mol
+        -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002
+#       -Range:  0-300
+
+U2F10(g)
+        U2F10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F- 
+        log_k           -12.2888
+	-delta_H	-239.377	kJ/mol	# Calculated enthalpy of reaction	U2F10(g)
+#	Enthalpy of formation:	-4021 kJ/mol
+        -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002
+#       -Range:  0-300
+
+UBr(g)
+        UBr +1.0000 O2  =  + 1.0000 Br- + 1.0000 UO2+   
+        log_k           224.8412
+	-delta_H	-1381.5	kJ/mol	# Calculated enthalpy of reaction	UBr(g)
+#	Enthalpy of formation:	247 kJ/mol
+        -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006
+#       -Range:  0-300
+
+UBr2(g)
+        UBr2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Br-   
+        log_k           192.6278
+	-delta_H	-1218.87	kJ/mol	# Calculated enthalpy of reaction	UBr2(g)
+#	Enthalpy of formation:	-31 kJ/mol
+        -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003
+#       -Range:  0-300
+
+UBr3(g)
+        UBr3  =  + 1.0000 U+++ + 3.0000 Br-     
+        log_k           67.8918
+	-delta_H	-489.61	kJ/mol	# Calculated enthalpy of reaction	UBr3(g)
+#	Enthalpy of formation:	-364 kJ/mol
+        -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002
+#       -Range:  0-300
+
+UBr4(g)
+        UBr4  =  + 1.0000 U++++ + 4.0000 Br-     
+        log_k           54.2926
+	-delta_H	-467.113	kJ/mol	# Calculated enthalpy of reaction	UBr4(g)
+#	Enthalpy of formation:	-610.1 kJ/mol
+        -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002
+#       -Range:  0-300
+
+UBr5(g)
+        UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- 
+        log_k           61.4272
+	-delta_H	-423.222	kJ/mol	# Calculated enthalpy of reaction	UBr5(g)
+#	Enthalpy of formation:	-637.745 kJ/mol
+        -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002
+#       -Range:  0-300
+
+UCl(g)
+        UCl +1.0000 O2  =  + 1.0000 Cl- + 1.0000 UO2+   
+        log_k           221.7887
+	-delta_H	-1368.27	kJ/mol	# Calculated enthalpy of reaction	UCl(g)
+#	Enthalpy of formation:	188.2 kJ/mol
+        -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003
+#       -Range:  0-300
+
+UCl2(g)
+        UCl2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Cl-   
+        log_k           183.7912
+	-delta_H	-1178.03	kJ/mol	# Calculated enthalpy of reaction	UCl2(g)
+#	Enthalpy of formation:	-163 kJ/mol
+        -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002
+#       -Range:  0-300
+
+UCl3(g)
+        UCl3  =  + 1.0000 U+++ + 3.0000 Cl-     
+        log_k           58.6335
+	-delta_H	-453.239	kJ/mol	# Calculated enthalpy of reaction	UCl3(g)
+#	Enthalpy of formation:	-537.1 kJ/mol
+        -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002
+#       -Range:  0-300
+
+UCl4(g)
+        UCl4  =  + 1.0000 U++++ + 4.0000 Cl-     
+        log_k           46.3988
+	-delta_H	-441.419	kJ/mol	# Calculated enthalpy of reaction	UCl4(g)
+#	Enthalpy of formation:	-818.1 kJ/mol
+        -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002
+#       -Range:  0-300
+
+UCl5(g)
+        UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- 
+        log_k           54.5311
+	-delta_H	-406.349	kJ/mol	# Calculated enthalpy of reaction	UCl5(g)
+#	Enthalpy of formation:	-882.5 kJ/mol
+        -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002
+#       -Range:  0-300
+
+UCl6(g)
+        UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- 
+        log_k           63.4791
+	-delta_H	-462.301	kJ/mol	# Calculated enthalpy of reaction	UCl6(g)
+#	Enthalpy of formation:	-987.5 kJ/mol
+        -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002
+#       -Range:  0-300
+
+UF(g)
+        UF +1.0000 O2  =  + 1.0000 F- + 1.0000 UO2+   
+        log_k           206.2684
+	-delta_H	-1296.34	kJ/mol	# Calculated enthalpy of reaction	UF(g)
+#	Enthalpy of formation:	-52 kJ/mol
+        -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003
+#       -Range:  0-300
+
+UF2(g)
+        UF2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 F-   
+        log_k           172.3563
+	-delta_H	-1147.56	kJ/mol	# Calculated enthalpy of reaction	UF2(g)
+#	Enthalpy of formation:	-530 kJ/mol
+        -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005
+#       -Range:  0-300
+
+UF3(g)
+        UF3  =  + 1.0000 U+++ + 3.0000 F-     
+        log_k           47.2334
+	-delta_H	-440.943	kJ/mol	# Calculated enthalpy of reaction	UF3(g)
+#	Enthalpy of formation:	-1054.2 kJ/mol
+        -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002
+#       -Range:  0-300
+
+UF4(g)
+        UF4  =  + 1.0000 U++++ + 4.0000 F-     
+        log_k           14.5980
+	-delta_H	-331.39	kJ/mol	# Calculated enthalpy of reaction	UF4(g)
+#	Enthalpy of formation:	-1601.2 kJ/mol
+        -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002
+#       -Range:  0-300
+
+UF5(g)
+        UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- 
+        log_k           6.3801
+	-delta_H	-220.188	kJ/mol	# Calculated enthalpy of reaction	UF5(g)
+#	Enthalpy of formation:	-1910 kJ/mol
+        -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002
+#       -Range:  0-300
+
+UF6(g)
+        UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- 
+        log_k           18.2536
+	-delta_H	-310.809	kJ/mol	# Calculated enthalpy of reaction	UF6(g)
+#	Enthalpy of formation:	-2148.6 kJ/mol
+        -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002
+#       -Range:  0-300
+
+UI(g)
+        UI +1.0000 O2  =  + 1.0000 I- + 1.0000 UO2+   
+        log_k           230.8161
+	-delta_H	-1410.9	kJ/mol	# Calculated enthalpy of reaction	UI(g)
+#	Enthalpy of formation:	341 kJ/mol
+        -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003
+#       -Range:  0-300
+
+UI2(g)
+        UI2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 I-   
+        log_k           194.5395
+	-delta_H	-1220.67	kJ/mol	# Calculated enthalpy of reaction	UI2(g)
+#	Enthalpy of formation:	100 kJ/mol
+        -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005
+#       -Range:  0-300
+
+UI3(g)
+        UI3  =  + 1.0000 U+++ + 3.0000 I-     
+        log_k           75.6033
+	-delta_H	-519.807	kJ/mol	# Calculated enthalpy of reaction	UI3(g)
+#	Enthalpy of formation:	-140 kJ/mol
+        -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002
+#       -Range:  0-300
+
+UI4(g)
+        UI4  =  + 1.0000 U++++ + 4.0000 I-     
+        log_k           64.3272
+	-delta_H	-510.01	kJ/mol	# Calculated enthalpy of reaction	UI4(g)
+#	Enthalpy of formation:	-308.8 kJ/mol
+        -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002
+#       -Range:  0-300
+
+UO(g)
+        UO +2.0000 H+ +1.0000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
+        log_k           211.6585
+	-delta_H	-1323.2	kJ/mol	# Calculated enthalpy of reaction	UO(g)
+#	Enthalpy of formation:	30.5 kJ/mol
+        -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005
+#       -Range:  0-300
+
+UO2(g)
+        UO2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
+        log_k           125.6027
+	-delta_H	-820.972	kJ/mol	# Calculated enthalpy of reaction	UO2(g)
+#	Enthalpy of formation:	-477.8 kJ/mol
+        -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002
+#       -Range:  0-300
+
+UO2Cl2(g)
+        UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-     
+        log_k           47.9630
+	-delta_H	-381.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2(g)
+#	Enthalpy of formation:	-971.6 kJ/mol
+        -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002
+#       -Range:  0-300
+
+UO2F2(g)
+        UO2F2  =  + 1.0000 UO2++ + 2.0000 F-     
+        log_k           34.6675
+	-delta_H	-337.195	kJ/mol	# Calculated enthalpy of reaction	UO2F2(g)
+#	Enthalpy of formation:	-1352.5 kJ/mol
+        -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002
+#       -Range:  0-300
+
+UO3(g)
+        UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++   
+        log_k           70.9480
+	-delta_H	-505.638	kJ/mol	# Calculated enthalpy of reaction	UO3(g)
+#	Enthalpy of formation:	-799.2 kJ/mol
+        -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002
+#       -Range:  0-300
+
+UOF4(g)
+        UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- 
+        log_k           24.2848
+	-delta_H	-312.552	kJ/mol	# Calculated enthalpy of reaction	UOF4(g)
+#	Enthalpy of formation:	-1762 kJ/mol
+        -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002
+#       -Range:  0-300
+
+Xe(g)
+        Xe  =  + 1.0000 Xe       
+        log_k           -2.3640
+	-delta_H	-18.8698	kJ/mol	# Calculated enthalpy of reaction	Xe(g)
+#	Enthalpy of formation:	0 kcal/mol
+        -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005
+#       -Range:  0-300
+
+Zn(g)
+        Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++ 
+        log_k           85.4140
+	-delta_H	-563.557	kJ/mol	# Calculated enthalpy of reaction	Zn(g)
+#	Enthalpy of formation:	130.4 kJ/mol
+        -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000
+#       -Range:  0-200
+
+Zr(g)
+        Zr +4.0000 H+ +1.0000 O2  =  + 1.0000 Zr++++ + 2.0000 H2O 
+        log_k           277.1324
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(g)
+#	Enthalpy of formation:	608.948 kJ/mol
+
+ZrF4(g)
+        ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-     
+        log_k           142.9515
+	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(g)
+#	Enthalpy of formation:	-858.24 kJ/mol
+
+EXCHANGE_MASTER_SPECIES
+        X       X-
+EXCHANGE_SPECIES
+        X- = X-
+        log_k           0.0
+
+        Na+ + X- = NaX
+        log_k   0.0
+        -llnl_gamma  4.0     
+
+        K+ + X- = KX
+        log_k   0.7
+        -llnl_gamma  3.0
+        delta_h  -4.3   # Jardine & Sparks, 1984
+
+        Li+ + X- = LiX
+        log_k   -0.08
+        -llnl_gamma  6.0     
+        delta_h  1.4    # Merriam & Thomas, 1956
+
+        NH4+ + X- = NH4X
+        log_k   0.6
+        -llnl_gamma  2.5     
+        delta_h  -2.4   # Laudelout et al., 1968
+
+        Ca+2 + 2X- = CaX2
+        log_k   0.8
+        -llnl_gamma  6.0     
+        delta_h  7.2    # Van Bladel & Gheyl, 1980
+
+        Mg+2 + 2X- = MgX2
+        log_k   0.6
+        -llnl_gamma  8.0
+        delta_h  7.4    # Laudelout et al., 1968
+
+        Sr+2 + 2X- = SrX2
+        log_k   0.91
+        -llnl_gamma  5.0
+        delta_h  5.5    # Laudelout et al., 1968
+
+        Ba+2 + 2X- = BaX2
+        log_k   0.91
+        -llnl_gamma  5.0     
+        delta_h  4.5    # Laudelout et al., 1968
+
+        Mn+2 + 2X- = MnX2
+        log_k   0.52
+        -llnl_gamma  6.0     
+
+        Fe+2 + 2X- = FeX2
+        log_k   0.44
+        -llnl_gamma  6.0     
+
+        Cu+2 + 2X- = CuX2
+        log_k   0.6
+        -llnl_gamma  6.0     
+
+        Zn+2 + 2X- = ZnX2
+        log_k   0.8
+        -llnl_gamma  6.0     
+
+        Cd+2 + 2X- = CdX2
+        log_k   0.8
+        -llnl_gamma  5.0     
+
+        Pb+2 + 2X- = PbX2
+        log_k   1.05
+        -llnl_gamma  4.5
+
+        Al+3 + 3X- = AlX3
+        log_k   0.41
+        -llnl_gamma  9.0     
+
+        AlOH+2 + 2X- = AlOHX2
+        log_k   0.89
+        -llnl_gamma  4.5
+
+SURFACE_MASTER_SPECIES
+        Hfo_s  Hfo_sOH
+        Hfo_w  Hfo_wOH
+SURFACE_SPECIES
+#   All surface data from
+#   Dzombak and Morel, 1990
+#
+#
+#   Acid-base data from table 5.7
+#
+#   strong binding site--Hfo_s,
+
+        Hfo_sOH = Hfo_sOH
+        log_k  0.0
+
+        Hfo_sOH  + H+ = Hfo_sOH2+
+        log_k  7.29    # = pKa1,int
+
+        Hfo_sOH = Hfo_sO- + H+
+        log_k  -8.93   # = -pKa2,int
+
+#   weak binding site--Hfo_w
+
+        Hfo_wOH = Hfo_wOH
+        log_k  0.0
+
+        Hfo_wOH  + H+ = Hfo_wOH2+
+        log_k  7.29    # = pKa1,int
+
+        Hfo_wOH = Hfo_wO- + H+
+        log_k  -8.93   # = -pKa2,int
+
+###############################################
+#             CATIONS                         #
+###############################################
+#
+#   Cations from table 10.1 or 10.5
+#
+#   Calcium
+        Hfo_sOH + Ca+2 = Hfo_sOHCa+2
+        log_k  4.97
+
+        Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
+        log_k -5.85
+#   Strontium
+        Hfo_sOH + Sr+2 = Hfo_sOHSr+2
+        log_k  5.01
+
+        Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
+        log_k -6.58
+
+        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
+        log_k -17.60
+#   Barium
+        Hfo_sOH + Ba+2 = Hfo_sOHBa+2
+        log_k  5.46
+
+        Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
+        log_k  -7.2                     # table 10.5
+#
+#   Cations from table 10.2
+#
+#   Cadmium
+        Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
+        log_k  0.47
+
+        Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
+        log_k   -2.91
+#   Zinc
+        Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
+        log_k  0.99
+
+        Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
+        log_k   -1.99
+#   Copper
+        Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
+        log_k  2.89
+
+        Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
+        log_k  0.6                      # table 10.5
+#   Lead
+        Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
+        log_k  4.65
+
+        Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
+        log_k  0.3                      # table 10.5
+#
+#   Derived constants table 10.5
+#
+#   Magnesium
+        Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
+        log_k -4.6
+#   Manganese
+        Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
+        log_k  -0.4                     # table 10.5
+
+        Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
+        log_k -3.5                      # table 10.5
+# Iron
+        Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+        log_k   0.7     # LFER using table 10.5
+
+        Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+        log_k -2.5      # LFER using table 10.5
+
+###############################################
+#             ANIONS                          #
+###############################################
+#
+#   Anions from table 10.6
+#
+#   Phosphate
+        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
+        log_k   31.29
+
+        Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
+        log_k   25.39
+
+        Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
+        log_k   17.72
+#
+#   Anions from table 10.7
+#
+#   Borate
+        Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
+        log_k   0.62
+#
+#   Anions from table 10.8
+#
+#   Sulfate
+        Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
+        log_k   7.78
+
+        Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
+        log_k   0.79
+#
+#   Derived constants table 10.10
+#
+        Hfo_wOH + F- + H+ = Hfo_wF + H2O
+        log_k   8.7
+
+        Hfo_wOH + F- = Hfo_wOHF-
+        log_k   1.6
+#
+# Carbonate: Van Geen et al., 1994 reoptimized for HFO
+# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
+#
+#        Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
+#        log_k   12.56
+# 
+#        Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
+#        log_k   20.62
+
+# 9/19/96
+#       Added analytical expression for H2S, NH3, KSO4.
+#       Added species CaHSO4+.
+#       Added delta H for Goethite.
+
+RATES
+
+###########
+#K-feldspar
+###########
+#
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
+# chemical weathering: Lund University Press, Lund, 246 p.
+#
+# Example of KINETICS data block for K-feldspar rate:
+#       KINETICS 1
+#       K-feldspar
+#               -m0 2.16  # 10% K-fsp, 0.1 mm cubes
+#               -m  1.94
+#               -parms 1.36e4  0.1
+
+K-feldspar
+ -start
+   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
+   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
+   3 rem parm(2) = corrects for field rate relative to lab rate
+   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+   
+   10    dif_temp = 1/TK - 1/298
+   20    pk_H = 12.5 + 3134 * dif_temp
+   30    pk_w = 15.3 + 1838 * dif_temp
+   40    pk_OH = 14.2 + 3134 * dif_temp
+   50    pk_CO2 = 14.6 + 1677 * dif_temp
+   #60   pk_org = 13.9 + 1254 * dif_temp  # rate increase with DOC
+   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
+   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
+   80    moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
+   81 rem decrease rate on precipitation
+   90    if SR("K-feldspar") > 1 then moles = moles * 0.1
+   100   save moles
+ -end
+
+###########
+#Albite
+###########
+#
+# Sverdrup, H.U., 1990, The kinetics of base cation release due to 
+# chemical weathering: Lund University Press, Lund, 246 p.
+#
+# Example of KINETICS data block for Albite rate:
+#       KINETICS 1
+#       Albite
+#               -m0 0.43  # 2% Albite, 0.1 mm cubes
+#               -parms 2.72e3  0.1
+
+Albite
+ -start
+   1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
+   2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
+   3 rem parm(2) = corrects for field rate relative to lab rate
+   4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
+   
+   10    dif_temp = 1/TK - 1/298
+   20    pk_H = 12.5 + 3359 * dif_temp
+   30    pk_w = 14.8 + 2648 * dif_temp
+   40    pk_OH = 13.7 + 3359 * dif_temp
+   #41 rem         ^12.9 in Sverdrup, but larger than for oligoclase...
+   50    pk_CO2 = 14.0 + 1677 * dif_temp
+   #60   pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
+   70    rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
+   71    rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 
+   #72   rate = rate + 10^-pk_org * TOT("Doc")^0.4
+   80    moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
+   81 rem decrease rate on precipitation
+   90    if SR("Albite") > 1 then moles = moles * 0.1
+   100   save moles
+ -end
+
+########
+#Calcite
+########
+#
+# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, 
+# American Journal of Science, v. 278, p. 179-216.
+#
+# Example of KINETICS data block for calcite rate:
+#
+#       KINETICS 1
+#       Calcite 
+#               -tol    1e-8
+#               -m0     3.e-3
+#               -m      3.e-3
+#               -parms  5.0      0.6
+Calcite
+  -start
+   1 rem        Modified from Plummer and others, 1978
+   2 rem        parm(1) = A/V, 1/m     parm(2) = exponent for m/m0
+
+   10 si_cc = si("Calcite")
+   20 if (m <= 0  and si_cc < 0) then goto 200
+   30  k1 = 10^(0.198 - 444.0 / (273.16 + tc) )
+   40  k2 = 10^(2.84 - 2177.0 / (273.16 + tc) )
+   50  if tc <= 25 then k3 = 10^(-5.86 - 317.0 / (273.16 + tc) )
+   60  if tc > 25 then k3 = 10^(-1.1 - 1737.0 / (273.16 + tc) )
+   70   t = 1
+   80   if m0 > 0 then t = m/m0
+   90   if t = 0 then t = 1
+   100   moles = parm(1) * (t)^parm(2)
+   110   moles = moles * (k1 * act("H+") + k2 * act("CO2") + k3 * act("H2O"))
+   120   moles = moles * (1 - 10^(2/3*si_cc))
+   130   moles = moles * time
+   140  if (moles > m) then moles = m
+   150 if (moles >= 0) then goto 200
+   160  temp = tot("Ca")
+   170  mc  = tot("C(4)")
+   180  if mc < temp then temp = mc
+   190  if -moles > temp then moles = -temp
+   200 save moles
+  -end
+
+#######
+#Pyrite
+#######
+#
+# Williamson, M.A. and Rimstidt, J.D., 1994, 
+# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
+#
+# Example of KINETICS data block for pyrite rate:
+#       KINETICS 1
+#       Pyrite  
+#               -tol    1e-8
+#               -m0     5.e-4
+#               -m      5.e-4
+#               -parms  2.0     0.67     .5      -0.11 
+Pyrite
+  -start
+   1 rem        Williamson and Rimstidt, 1994
+   2 rem        parm(1) = log10(A/V, 1/dm)      parm(2) = exp for (m/m0)
+   3 rem        parm(3) = exp for O2            parm(4) = exp for H+
+      
+   10 if (m <= 0) then goto 200
+   20 if (si("Pyrite") >= 0) then goto 200
+   20  rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
+   30  moles = 10^rate * time
+   40 if (moles > m) then moles = m
+   200 save moles
+  -end
+
+##########
+#Organic_C
+##########
+#
+# Example of KINETICS data block for Organic_C rate:
+#       KINETICS 1
+#       Organic_C
+#               -tol    1e-8
+#              # m in mol/kgw
+#               -m0     5e-3
+#               -m      5e-3
+Organic_C
+ -start
+   1  rem      Additive Monod kinetics
+   2  rem      Electron acceptors: O2, NO3, and SO4
+
+   10 if (m <= 0) then goto 200
+   20  mO2 = mol("O2")
+   30  mNO3 = tot("N(5)")
+   40  mSO4 = tot("S(6)")
+   50   rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
+   60   rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
+   70  moles = rate * m * (m/m0) * time
+   80 if (moles > m) then moles = m
+   200 save moles
+ -end
+
+###########
+#Pyrolusite
+###########
+#
+# Postma, D. and Appelo, C.A.J., 2000, GCA 64, in press
+#
+# Example of KINETICS data block for Pyrolusite
+#       KINETICS 1-12
+#       Pyrolusite
+#               -tol    1.e-7
+#               -m0     0.1
+#               -m      0.1
+Pyrolusite
+  -start
+   5    if (m <= 0.0) then goto 200
+   7    sr_pl = sr("Pyrolusite")
+   9    if abs(1 - sr_pl) < 0.1 then goto 200
+   10   if (sr_pl > 1.0) then goto 100
+   #20 rem      initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
+   #22 rem       time (3 cells) = 1.432e4.  1/time = 6.98e-5
+   30   Fe_t = tot("Fe(2)")
+   32   if Fe_t < 1.e-8 then goto 200
+   40   moles = 6.98e-5 * Fe_t  * (m/m0)^0.67 * time * (1 - sr_pl)
+   50   if moles > Fe_t / 2 then moles = Fe_t / 2
+   70   if moles > m then moles = m
+   90   goto 200
+   100  Mn_t = tot("Mn")
+   110  moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
+   120  if moles <= -Mn_t then moles = -Mn_t
+   200  save moles
+  -end
+END
diff --git a/database/llnl.dat b/database/llnl.dat
index 0c1904c4..64b2c231 100644
--- a/database/llnl.dat
+++ b/database/llnl.dat
@@ -1,8 +1,12 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\llnl.dat, 17/05/2024  14:23, 19306 lines, 776949 bytes, md5=efbcb7244fbe9063e0020cf5d1e00458
+# Created 17 May 2024 14:30:38
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "llnl.dat"
+
 #  $Id: llnl.dat 12758 2017-08-01 22:09:36Z dlpark $
 #Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at
 #Lawrence Livermore National Laboratory, in Geochemist's Workbench
 #format. Converted to Phreeqc format by Greg Anderson with help from
-#David Parkhurst. A few organic species have been omitted.  
+#David Parkhurst. A few organic species have been omitted.
 
 #Delta H of reaction calculated from Delta H of formations given in
 #thermo.com.V8.R6.230 (8 Mar 2000).
@@ -17,34 +21,34 @@
 
 LLNL_AQUEOUS_MODEL_PARAMETERS
 -temperatures
-         0.0100   25.0000   60.0000  100.0000
-       150.0000  200.0000  250.0000  300.0000
+         0.01 25 60 100
+       150 200 250 300
 #debye huckel a (adh)
 -dh_a
-         0.4939    0.5114    0.5465    0.5995
-         0.6855    0.7994    0.9593    1.2180
+         0.4939 0.5114 0.5465 0.5995
+         0.6855 0.7994 0.9593 1.218
 #debye huckel b (bdh)
 -dh_b
-         0.3253    0.3288    0.3346    0.3421
-         0.3525    0.3639    0.3766    0.3925
+         0.3253 0.3288 0.3346 0.3421
+         0.3525 0.3639 0.3766 0.3925
 -bdot
-         0.0374    0.0410    0.0438    0.0460
-         0.0470    0.0470    0.0340    0.0000
+         0.0374 0.041 0.0438 0.046
+         0.047 0.047 0.034 0
 #cco2   (coefficients for the Drummond (1981) polynomial)
 -co2_coefs
-        -1.0312              0.0012806
-          255.9                 0.4445
+        -1.0312 0.0012806
+          255.9 0.4445
       -0.001606
 NAMED_EXPRESSIONS
 #
-# formation of O2 from H2O 
-# 2H2O =  O2 + 4H+ + 4e-  
+# formation of O2 from H2O
+# 2H2O =  O2 + 4H+ + 4e-
 #
 	Log_K_O2
-	 	log_k      -85.9951
-		-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
+	 	log_k -85.9951
+		-delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
 #	Enthalpy of formation:	-2.9 kcal/mol
-	        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+	        -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45
 #	Range:  0-300
 
 
@@ -52,792 +56,792 @@ SOLUTION_MASTER_SPECIES
 
 #element species        alk     gfw_formula     element_gfw
 
-Acetate  HAcetate       0.0     Acetate        59.
-Ag	 Ag+		0.0	Ag		107.8682
-Ag(1)	 Ag+		0	Ag
-Ag(2)	 Ag+2   	0	Ag
-Al       Al+3           0.0     Al              26.9815
-Alkalinity HCO3-        1.0     Ca0.5(CO3)0.5   50.05
-Am	 Am+3		0.0	Am		243.0000
-Am(+2)	 Am+2		0.0	Am
-Am(+3)	 Am+3		0.0	Am
-Am(+4)	 Am+4		0.0	Am
-Am(+5)	 AmO2+		0.0	Am
-Am(+6)	 AmO2+2		0.0	Am
-Ar	 Ar		0.0	Ar		39.948
-As	 H2AsO4-	0.0	As		74.9216
-As(-3)	 AsH3		0.0	As
-As(+3)	 H2AsO3-	0.0	As
-As(+5)	 H2AsO4-	0.0	As
-Au	 Au+		0.0	Au		196.9665
-Au(+1)	 Au+		0.0	Au
-Au(+3)	 Au+3		0.0	Au
+Acetate HAcetate 0 Acetate 59
+Ag Ag+ 0 Ag 107.8682
+Ag(1) Ag+ 0 Ag
+Ag(2) Ag+2 0 Ag
+Al Al+3 0 Al 26.9815
+Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05
+Am Am+3 0 Am 243
+Am(+2) Am+2 0 Am
+Am(+3) Am+3 0 Am
+Am(+4) Am+4 0 Am
+Am(+5) AmO2+ 0 Am
+Am(+6) AmO2+2 0 Am
+Ar Ar 0 Ar 39.948
+As H2AsO4- 0 As 74.9216
+As(-3) AsH3 0 As
+As(+3) H2AsO3- 0 As
+As(+5) H2AsO4- 0 As
+Au Au+ 0 Au 196.9665
+Au(+1) Au+ 0 Au
+Au(+3) Au+3 0 Au
 #B        H3BO3          0.0     B               10.811
-B        B(OH)3         0.0     B               10.811
-B(3)	 B(OH)3	 	0	B
-B(-5)	 BH4-	 	0	B
-Ba       Ba+2           0.0     Ba              137.3270
-Be	 Be+2		0.0	Be		9.0122
-Br       Br-            0.0     Br              79.904
-Br(-03)	 Br3- 		0	Br
-Br(-1)	 Br-		0	Br
-Br(0)	 Br2		0	Br
-Br(1)	 BrO-		0	Br
-Br(5)	 BrO3-		0	Br
-Br(7)	 BrO4-		0	Br
-C(-4)	CH4		0.0	CH4
-C(-3)	C2H6		0.0	C2H6
-C(-2)	C2H4		0.0	C2H4
-C        HCO3-          1.0     HCO3            12.0110
-C(+2)	 CO		0	C
-C(+4)    HCO3-          1.0     HCO3
-Ca       Ca+2           0.0     Ca              40.078
-Cyanide  Cyanide-	1.0     CN		26.
-Cd       Cd+2           0.0     Cd              112.411
-Ce	 Ce+3		0.0	Ce		140.115
-Ce(+2)	 Ce+2		0.0	Ce
-Ce(+3)	 Ce+3		0.0	Ce
-Ce(+4)	 Ce+4		0.0	Ce
-Cl       Cl-            0.0     Cl              35.4527
-Cl(-1)	 Cl-		0	Cl
-Cl(1)	 ClO-		0	Cl
-Cl(3)	 ClO2-		0	Cl
-Cl(5)	 ClO3-		0	Cl
-Cl(7)	 ClO4-		0	Cl
-Co	 Co+2		0.0	Co		58.9332
-Co(+2)	 Co+2		0.0	Co
-Co(+3)	 Co+3		0.0	Co
-Cr	 CrO4-2		0.0	CrO4-2  	51.9961
-Cr(+2)	 Cr+2		0.0	Cr
-Cr(+3)	 Cr+3		0.0	Cr
-Cr(+5)	 CrO4-3		0.0	Cr
-Cr(+6)	 CrO4-2		0.0	Cr
-Cs	 Cs+		0.0	Cs		132.9054
-Cu       Cu+2           0.0     Cu              63.546
-Cu(+1)   Cu+1           0.0     Cu
-Cu(+2)   Cu+2           0.0     Cu
-Dy	 Dy+3		0.0	Dy		162.50
-Dy(+2)	 Dy+2		0.0	Dy
-Dy(+3)	 Dy+3		0.0	Dy
-E        e-             0.0     0.0             0.0
-Er	 Er+3		0.0	Er		167.26
-Er(+2)	 Er+2		0.0	Er
-Er(+3)	 Er+3		0.0	Er
-Ethylene Ethylene       0.0     Ethylene        28.0536 
-Eu	 Eu+3		0.0	Eu		151.965
-Eu(+2)	 Eu+2		0.0	Eu
-Eu(+3)	 Eu+3		0.0	Eu
-F        F-             0.0     F               18.9984
-Fe       Fe+2           0.0     Fe              55.847
-Fe(+2)   Fe+2           0.0     Fe
-Fe(+3)   Fe+3           -2.0    Fe
-Ga	 Ga+3		0.0	Ga		69.723
-Gd	 Gd+3		0.0	Gd		157.25
-Gd(+2)	 Gd+2		0.0	Gd
-Gd(+3)	 Gd+3		0.0	Gd
-H        H+             -1.     H               1.0079
-H(0)     H2             0.0     H
-H(+1)    H+             -1.     0.0
-He	 He		0.0	He		4.0026
-He(0)	 He		0.0	He
-Hf	 Hf+4		0.0	Hf		178.49
-Hg	 Hg+2		0.0	Hg		200.59
-Hg(+1)	 Hg2+2		0.0	Hg
-Hg(+2)	 Hg+2		0.0	Hg
-Ho	 Ho+3		0.0	Ho		164.9303
-Ho(+2)	 Ho+2		0.0	Ho
-Ho(+3)	 Ho+3		0.0	Ho
-I	 I-		0.0	I		126.9045
-I(-03)   I3-		0	I
-I(-1)	 I-		0.0	I
-I(+1)	 IO-		0.0	I
-I(+5)	 IO3-		0.0	I
-I(+7)	 IO4-		0.0	I
-In	 In+3		0.0	In		114.82
-K        K+             0.0     K               39.0983
-Kr	 Kr		0.0	Kr		83.80
-Kr(0)	 Kr		0.0	Kr
-La	 La+3		0.0	La		138.9055
-La(2)	 La+2		0	La
-La(3)	 La+3		0	La
-Li       Li+            0.0     Li              6.9410
-Lu	 Lu+3		0.0	Lu		174.967
-Mg       Mg+2           0.0     Mg              24.305
-Mn       Mn+2           0.0     Mn              54.938
-Mn(+2)   Mn+2           0.0     Mn
-Mn(+3)   Mn+3           0.0     Mn
-Mn(+6)   MnO4-2		0	Mn
-Mn(+7)   MnO4-		0	Mn
-Mo	 MoO4-2		0.0	Mo		95.94
-N        NH3            1.0     N               14.0067
-N(-3)    NH3            1.0     N
-N(-03)   N3-		0.0	N
-N(0)     N2             0.0     N
-N(+3)    NO2-           0.0     N
-N(+5)    NO3-           0.0     N
-Na       Na+            0.0     Na              22.9898
-Nd	 Nd+3		0.0	Nd		144.24
-Nd(+2)	 Nd+2		0.0	Nd
-Nd(+3)	 Nd+3		0.0	Nd
-Ne	 Ne		0.0	Ne		20.1797
+B B(OH)3 0 B 10.811
+B(3) B(OH)3 0 B
+B(-5) BH4- 0 B
+Ba Ba+2 0 Ba 137.327
+Be Be+2 0 Be 9.0122
+Br Br- 0 Br 79.904
+Br(-03) Br3- 0 Br
+Br(-1) Br- 0 Br
+Br(0) Br2 0 Br
+Br(1) BrO- 0 Br
+Br(5) BrO3- 0 Br
+Br(7) BrO4- 0 Br
+C(-4) CH4 0 CH4
+C(-3) C2H6 0 C2H6
+C(-2) C2H4 0 C2H4
+C HCO3- 1 HCO3 12.011
+C(+2) CO 0 C
+C(+4) HCO3- 1 HCO3
+Ca Ca+2 0 Ca 40.078
+Cyanide Cyanide- 1 CN 26
+Cd Cd+2 0 Cd 112.411
+Ce Ce+3 0 Ce 140.115
+Ce(+2) Ce+2 0 Ce
+Ce(+3) Ce+3 0 Ce
+Ce(+4) Ce+4 0 Ce
+Cl Cl- 0 Cl 35.4527
+Cl(-1) Cl- 0 Cl
+Cl(1) ClO- 0 Cl
+Cl(3) ClO2- 0 Cl
+Cl(5) ClO3- 0 Cl
+Cl(7) ClO4- 0 Cl
+Co Co+2 0 Co 58.9332
+Co(+2) Co+2 0 Co
+Co(+3) Co+3 0 Co
+Cr CrO4-2 0 CrO4-2 51.9961
+Cr(+2) Cr+2 0 Cr
+Cr(+3) Cr+3 0 Cr
+Cr(+5) CrO4-3 0 Cr
+Cr(+6) CrO4-2 0 Cr
+Cs Cs+ 0 Cs 132.9054
+Cu Cu+2 0 Cu 63.546
+Cu(+1) Cu+1 0 Cu
+Cu(+2) Cu+2 0 Cu
+Dy Dy+3 0 Dy 162.5
+Dy(+2) Dy+2 0 Dy
+Dy(+3) Dy+3 0 Dy
+E e- 1 0 0
+Er Er+3 0 Er 167.26
+Er(+2) Er+2 0 Er
+Er(+3) Er+3 0 Er
+Ethylene Ethylene 0 Ethylene 28.0536
+Eu Eu+3 0 Eu 151.965
+Eu(+2) Eu+2 0 Eu
+Eu(+3) Eu+3 0 Eu
+F F- 0 F 18.9984
+Fe Fe+2 0 Fe 55.847
+Fe(+2) Fe+2 0 Fe
+Fe(+3) Fe+3 -2 Fe
+Ga Ga+3 0 Ga 69.723
+Gd Gd+3 0 Gd 157.25
+Gd(+2) Gd+2 0 Gd
+Gd(+3) Gd+3 0 Gd
+H H+ -1 H 1.0079
+H(0) H2 0 H
+H(+1) H+ -1 0
+He He 0 He 4.0026
+He(0) He 0 He
+Hf Hf+4 0 Hf 178.49
+Hg Hg+2 0 Hg 200.59
+Hg(+1) Hg2+2 0 Hg
+Hg(+2) Hg+2 0 Hg
+Ho Ho+3 0 Ho 164.9303
+Ho(+2) Ho+2 0 Ho
+Ho(+3) Ho+3 0 Ho
+I I- 0 I 126.9045
+I(-03) I3- 0 I
+I(-1) I- 0 I
+I(+1) IO- 0 I
+I(+5) IO3- 0 I
+I(+7) IO4- 0 I
+In In+3 0 In 114.82
+K K+ 0 K 39.0983
+Kr Kr 0 Kr 83.8
+Kr(0) Kr 0 Kr
+La La+3 0 La 138.9055
+La(2) La+2 0 La
+La(3) La+3 0 La
+Li Li+ 0 Li 6.941
+Lu Lu+3 0 Lu 174.967
+Mg Mg+2 0 Mg 24.305
+Mn Mn+2 0 Mn 54.938
+Mn(+2) Mn+2 0 Mn
+Mn(+3) Mn+3 0 Mn
+Mn(+6) MnO4-2 0 Mn
+Mn(+7) MnO4- 0 Mn
+Mo MoO4-2 0 Mo 95.94
+N NH3 1 N 14.0067
+N(-3) NH3 1 N
+N(-03) N3- 0 N
+N(0) N2 0 N
+N(+3) NO2- 0 N
+N(+5) NO3- 0 N
+Na Na+ 0 Na 22.9898
+Nd Nd+3 0 Nd 144.24
+Nd(+2) Nd+2 0 Nd
+Nd(+3) Nd+3 0 Nd
+Ne Ne 0 Ne 20.1797
 #Ne(0)	 Ne		0.0	Ne
-Ni	 Ni+2		0.0	Ni		58.69
-Np	 Np+4		0.0	Np		237.048
-Np(+3)	 Np+3		0.0	Np
-Np(+4)	 Np+4		0.0	Np
-Np(+5)	 NpO2+		0.0	Np
-Np(+6)	 NpO2+2		0.0	Np
-O        H2O            0.0     O               15.994
-O(-2)    H2O            0.0     0.0
-O(0)     O2             0.0     O
+Ni Ni+2 0 Ni 58.69
+Np Np+4 0 Np 237.048
+Np(+3) Np+3 0 Np
+Np(+4) Np+4 0 Np
+Np(+5) NpO2+ 0 Np
+Np(+6) NpO2+2 0 Np
+O H2O 0 O 15.994
+O(-2) H2O 0 0
+O(0) O2 0 O
 O_phthalate O_phthalate-2 0 1 1
-P        HPO4-2         2.0     P               30.9738
-P(-3)	 PH4+		0	P
-P(5)     HPO4-2         2.0     P
-Pb       Pb+2           0.0     Pb              207.20 
-Pb(+2)	 Pb+2		0.0	Pb
-Pb(+4)	 Pb+4		0.0	Pb
-Pd	 Pd+2		0.0	Pd		106.42
-Pm	 Pm+3		0.0	Pm		147.00
-Pm(+2)	 Pm+2		0.0	Pm
-Pm(+3)	 Pm+3		0.0	Pm
-Pr	 Pr+3		0.0	Pr		140.9076
-Pr(+2)	 Pr+2		0.0	Pr
-Pr(+3)	 Pr+3		0.0	Pr
-Pu	 Pu+4		0.0	Pu		244.00
-Pu(+3)	 Pu+3		0.0	Pu
-Pu(+4)	 Pu+4		0.0	Pu
-Pu(+5)	 PuO2+		0.0	Pu
-Pu(+6)	 PuO2+2		0.0	Pu
-Ra	 Ra+2		0.0	Ra		226.025
-Rb	 Rb+		0.0	Rb		85.4678
-Re	 ReO4-		0.0	Re		186.207
-Rn	 Rn		0.0	Rn		222.00
-Ru	 RuO4-2		0.0	Ru		101.07
-Ru(+2)	 Ru+2		0.0	Ru
-Ru(+3)	 Ru+3		0.0	Ru
-Ru(+4)	 Ru(OH)2+2	0.0	Ru
-Ru(+6)	 RuO4-2		0.0	Ru
-Ru(+7)	 RuO4-		0.0	Ru
-Ru(+8)	 RuO4		0.0	Ru
-S	 SO4-2          0.0     SO4             32.066
-S(-2)	 HS-            1.0     S
-S(+2)	 S2O3-2		0.0	S
-S(+3)	 S2O4-2		0.0	S
-S(+4)	 SO3-2		0.0	S
-S(+5)	 S2O5-2		0.0	S
-S(+6)	 SO4-2          0.0     SO4
-S(+7)	 S2O8-2		0.0	S
-S(+8)	 HSO5-		0.0	S
-Sb	 Sb(OH)3	0.0	Sb		121.75
-Sc	 Sc+3		0.0	Sc		44.9559
-Se	 SeO3-2		0.0	Se		78.96
-Se(-2)	 HSe-		0.0	Se
-Se(+4)	 SeO3-2		0.0	Se
-Se(+6)	 SeO4-2		0.0	Se
-Si       SiO2         0.0     SiO2            28.0855
-Sm	 Sm+3		0.0	Sm		150.36
-Sm(+2)	 Sm+2		0.0	Sm
-Sm(+3)	 Sm+3		0.0	Sm
-Sn	 Sn+2		0.0	Sn		118.71
-Sn(+2)	 Sn+2		0.0	Sn
-Sn(+4)	 Sn+4		0.0	Sn
-Sr       Sr+2           0.0     Sr              87.62
-Tb	 Tb+3		0.0	Tb		158.9253
-Tb(+2)	 Tb+2		0.0	Tb
-Tb(+3)	 Tb+3		0.0	Tb
-Tc	 TcO4-		0.0	Tc		98.00
-Tc(+3)	 Tc+3		0.0	Tc
-Tc(+4)	 TcO+2		0.0	Tc
-Tc(+5)	 TcO4-3		0.0	Tc
-Tc(+6)	 TcO4-2		0.0	Tc
-Tc(+7)	 TcO4-		0.0	Tc
-Thiocyanate Thiocyanate- 0.0    SCN             58.
-Th	 Th+4		0.0	Th		232.0381
-Ti	 Ti(OH)4	0.0	Ti		47.88
-Tl	 Tl+		0.0	Tl		204.3833
-Tl(+1)	 Tl+		0.0	Tl
-Tl(+3)	 Tl+3		0.0	Tl
-Tm	 Tm+3		0.0	Tm		168.9342
-Tm(+2)	 Tm+2		0.0	Tm
-Tm(+3)	 Tm+3		0.0	Tm
-U	 UO2+2		0.0	U		238.0289
-U(+3)	 U+3		0.0	U
-U(+4)	 U+4		0.0	U
-U(+5)	 UO2+		0.0	U
-U(+6)	 UO2+2		0.0	U
-V	 VO+2		0.0	V		50.9415
-V(+3)	 V+3		0.0	V
-V(+4)	 VO+2		0.0	V
-V(+5)	 VO2+		0.0	V
-W	 WO4-2		0.0	W		183.85
-Xe	 Xe		0.0	Xe		131.29
-Xe(0)	 Xe		0.0	Xe
-Y	 Y+3		0.0	Y		88.9059
-Yb	 Yb+3		0.0	Yb		173.04
-Yb(+2)	 Yb+2		0.0	Yb
-Yb(+3)	 Yb+3		0.0	Yb
-Zn       Zn+2           0.0     Zn              65.39
-Zr	 Zr(OH)2+2	0.0	Zr		91.224
+P HPO4-2 2 P 30.9738
+P(-3) PH4+ 0 P
+P(5) HPO4-2 2 P
+Pb Pb+2 0 Pb 207.2
+Pb(+2) Pb+2 0 Pb
+Pb(+4) Pb+4 0 Pb
+Pd Pd+2 0 Pd 106.42
+Pm Pm+3 0 Pm 147
+Pm(+2) Pm+2 0 Pm
+Pm(+3) Pm+3 0 Pm
+Pr Pr+3 0 Pr 140.9076
+Pr(+2) Pr+2 0 Pr
+Pr(+3) Pr+3 0 Pr
+Pu Pu+4 0 Pu 244
+Pu(+3) Pu+3 0 Pu
+Pu(+4) Pu+4 0 Pu
+Pu(+5) PuO2+ 0 Pu
+Pu(+6) PuO2+2 0 Pu
+Ra Ra+2 0 Ra 226.025
+Rb Rb+ 0 Rb 85.4678
+Re ReO4- 0 Re 186.207
+Rn Rn 0 Rn 222
+Ru RuO4-2 0 Ru 101.07
+Ru(+2) Ru+2 0 Ru
+Ru(+3) Ru+3 0 Ru
+Ru(+4) Ru(OH)2+2 0 Ru
+Ru(+6) RuO4-2 0 Ru
+Ru(+7) RuO4- 0 Ru
+Ru(+8) RuO4 0 Ru
+S SO4-2 0 SO4 32.066
+S(-2) HS- 1 S
+S(+2) S2O3-2 0 S
+S(+3) S2O4-2 0 S
+S(+4) SO3-2 0 S
+S(+5) S2O5-2 0 S
+S(+6) SO4-2 0 SO4
+S(+7) S2O8-2 0 S
+S(+8) HSO5- 0 S
+Sb Sb(OH)3 0 Sb 121.75
+Sc Sc+3 0 Sc 44.9559
+Se SeO3-2 0 Se 78.96
+Se(-2) HSe- 0 Se
+Se(+4) SeO3-2 0 Se
+Se(+6) SeO4-2 0 Se
+Si SiO2 0 SiO2 28.0855
+Sm Sm+3 0 Sm 150.36
+Sm(+2) Sm+2 0 Sm
+Sm(+3) Sm+3 0 Sm
+Sn Sn+2 0 Sn 118.71
+Sn(+2) Sn+2 0 Sn
+Sn(+4) Sn+4 0 Sn
+Sr Sr+2 0 Sr 87.62
+Tb Tb+3 0 Tb 158.9253
+Tb(+2) Tb+2 0 Tb
+Tb(+3) Tb+3 0 Tb
+Tc TcO4- 0 Tc 98
+Tc(+3) Tc+3 0 Tc
+Tc(+4) TcO+2 0 Tc
+Tc(+5) TcO4-3 0 Tc
+Tc(+6) TcO4-2 0 Tc
+Tc(+7) TcO4- 0 Tc
+Thiocyanate Thiocyanate- 0 SCN 58
+Th Th+4 0 Th 232.0381
+Ti Ti(OH)4 0 Ti 47.88
+Tl Tl+ 0 Tl 204.3833
+Tl(+1) Tl+ 0 Tl
+Tl(+3) Tl+3 0 Tl
+Tm Tm+3 0 Tm 168.9342
+Tm(+2) Tm+2 0 Tm
+Tm(+3) Tm+3 0 Tm
+U UO2+2 0 U 238.0289
+U(+3) U+3 0 U
+U(+4) U+4 0 U
+U(+5) UO2+ 0 U
+U(+6) UO2+2 0 U
+V VO+2 0 V 50.9415
+V(+3) V+3 0 V
+V(+4) VO+2 0 V
+V(+5) VO2+ 0 V
+W WO4-2 0 W 183.85
+Xe Xe 0 Xe 131.29
+Xe(0) Xe 0 Xe
+Y Y+3 0 Y 88.9059
+Yb Yb+3 0 Yb 173.04
+Yb(+2) Yb+2 0 Yb
+Yb(+3) Yb+3 0 Yb
+Zn Zn+2 0 Zn 65.39
+Zr Zr(OH)2+2 0 Zr 91.224
 
 SOLUTION_SPECIES
 
-HAcetate =  HAcetate 
-	-llnl_gamma	3.0000	
+HAcetate = HAcetate
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HAcetate
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate
 #	Enthalpy of formation:	-116.1 kcal/mol
-Ag+ =  Ag+ 
-	-llnl_gamma	2.5000	
+Ag+ = Ag+
+	-llnl_gamma 2.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ag+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+
 #	Enthalpy of formation:	25.275 kcal/mol
-Al+3 =  Al+3 
-	-llnl_gamma	9.0000	
+Al+3 = Al+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Al+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3
 #	Enthalpy of formation:	-128.681 kcal/mol
-Am+3 =  Am+3 
-	-llnl_gamma	5.0000	
+Am+3 = Am+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Am+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3
 #	Enthalpy of formation:	-616.7 kJ/mol
-Ar =  Ar 
-	-llnl_gamma	3.0000	
+Ar = Ar
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ar
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar
 #	Enthalpy of formation:	-2.87 kcal/mol
-Au+ =  Au+ 
-	-llnl_gamma	4.0000	
+Au+ = Au+
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Au+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+
 #	Enthalpy of formation:	47.58 kcal/mol
-B(OH)3 =  B(OH)3 
-	-llnl_gamma	3.0000	
+B(OH)3 = B(OH)3
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	B(OH)3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3
 #	Enthalpy of formation:	-256.82 kcal/mol
-Ba+2 =  Ba+2 
-	-llnl_gamma	5.0000	
+Ba+2 = Ba+2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2
 #	Enthalpy of formation:	-128.5 kcal/mol
-Be+2 =  Be+2 
-	-llnl_gamma	8.0000	
+Be+2 = Be+2
+	-llnl_gamma 8
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Be+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2
 #	Enthalpy of formation:	-91.5 kcal/mol
-Br- =  Br- 
-	-llnl_gamma	3.0000	
+Br- = Br-
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Br-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Br-
 #	Enthalpy of formation:	-29.04 kcal/mol
-Ca+2 =  Ca+2 
-	-llnl_gamma	6.0000	
+Ca+2 = Ca+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ca+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2
 #	Enthalpy of formation:	-129.8 kcal/mol
-Cd+2 =  Cd+2 
-	-llnl_gamma	5.0000	
+Cd+2 = Cd+2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2
 #	Enthalpy of formation:	-18.14 kcal/mol
-Ce+3 =  Ce+3 
-	-llnl_gamma	9.0000	
+Ce+3 = Ce+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3
 #	Enthalpy of formation:	-167.4 kcal/mol
-Cl- =  Cl- 
-	-llnl_gamma	3.0000	
+Cl- = Cl-
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cl-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl-
 #	Enthalpy of formation:	-39.933 kcal/mol
-Co+2 =  Co+2 
-	-llnl_gamma	6.0000	
+Co+2 = Co+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Co+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2
 #	Enthalpy of formation:	-13.9 kcal/mol
-CrO4-2 =  CrO4-2 
-	-llnl_gamma	4.0000	
+CrO4-2 = CrO4-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	CrO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2
 #	Enthalpy of formation:	-210.6 kcal/mol
-Cs+ =  Cs+ 
-	-llnl_gamma	2.5000	
+Cs+ = Cs+
+	-llnl_gamma 2.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cs+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+
 #	Enthalpy of formation:	-61.67 kcal/mol
-Cu+2 =  Cu+2 
-	-llnl_gamma	6.0000	
+Cu+2 = Cu+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cu+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2
 #	Enthalpy of formation:	15.7 kcal/mol
-Dy+3 =  Dy+3 
-	-llnl_gamma	5.0000	
+Dy+3 = Dy+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Dy+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3
 #	Enthalpy of formation:	-166.5 kcal/mol
-e- =  e- 
+e- = e-
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	e-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction e-
 #	Enthalpy of formation:	-0 kJ/mol
-Er+3 =  Er+3 
-	-llnl_gamma	5.0000	
+Er+3 = Er+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Er+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3
 #	Enthalpy of formation:	-168.5 kcal/mol
-Ethylene =  Ethylene 
-	-llnl_gamma	3.0000	
+Ethylene = Ethylene
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ethylene
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene
 #	Enthalpy of formation:	8.57 kcal/mol
-Eu+3 =  Eu+3 
-	-llnl_gamma	5.0000	
+Eu+3 = Eu+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Eu+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3
 #	Enthalpy of formation:	-144.7 kcal/mol
-F- =  F- 
-	-llnl_gamma	3.5000	
+F- = F-
+	-llnl_gamma 3.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	F-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction F-
 #	Enthalpy of formation:	-80.15 kcal/mol
-Fe+2 =  Fe+2 
-	-llnl_gamma	6.0000	
+Fe+2 = Fe+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Fe+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2
 #	Enthalpy of formation:	-22.05 kcal/mol
-Ga+3 =  Ga+3 
-	-llnl_gamma	5.0000	
+Ga+3 = Ga+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ga+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3
 #	Enthalpy of formation:	-50.6 kcal/mol
-Gd+3 =  Gd+3 
-	-llnl_gamma	5.0000	
+Gd+3 = Gd+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Gd+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3
 #	Enthalpy of formation:	-164.2 kcal/mol
-H+ =  H+ 
-	-llnl_gamma	9.0000	
+H+ = H+
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction H+
 #	Enthalpy of formation:	-0 kJ/mol
-He =  He 
-	-llnl_gamma	3.0000	
+He = He
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	He
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction He
 #	Enthalpy of formation:	-0.15 kcal/mol
-H2AsO4- =  H2AsO4- 
-	-llnl_gamma	4.0000	
+H2AsO4- = H2AsO4-
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2AsO4-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4-
 #	Enthalpy of formation:	-217.39 kcal/mol
-HCO3- =  HCO3- 
-	-llnl_gamma	4.0000	
+HCO3- = HCO3-
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HCO3-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3-
 #	Enthalpy of formation:	-164.898 kcal/mol
-HPO4-2 =  HPO4-2 
-	-llnl_gamma	4.0000	
+HPO4-2 = HPO4-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	HPO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2
 #	Enthalpy of formation:	-308.815 kcal/mol
-Hf+4 =  Hf+4 
+Hf+4 = Hf+4
 	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf+4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4
 #	Enthalpy of formation:	-0 kcal/mol
-Hg+2 =  Hg+2 
-	-llnl_gamma	5.0000	
+Hg+2 = Hg+2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Hg+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2
 #	Enthalpy of formation:	40.67 kcal/mol
-Ho+3 =  Ho+3 
-	-llnl_gamma	5.0000	
+Ho+3 = Ho+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ho+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3
 #	Enthalpy of formation:	-169 kcal/mol
-I- =  I- 
-	-llnl_gamma	3.0000	
+I- = I-
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	I-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction I-
 #	Enthalpy of formation:	-13.6 kcal/mol
-In+3 =  In+3 
-	-llnl_gamma	9.0000	
+In+3 = In+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	In+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3
 #	Enthalpy of formation:	-25 kcal/mol
-K+ =  K+ 
-	-llnl_gamma	3.0000	
+K+ = K+
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	K+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction K+
 #	Enthalpy of formation:	-60.27 kcal/mol
-Kr =  Kr 
-	-llnl_gamma	3.0000	
+Kr = Kr
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Kr
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr
 #	Enthalpy of formation:	-3.65 kcal/mol
-La+3 =  La+3 
-	-llnl_gamma	9.0000	
+La+3 = La+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	La+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3
 #	Enthalpy of formation:	-169.6 kcal/mol
-Li+ =  Li+ 
-	-llnl_gamma	6.0000	
+Li+ = Li+
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Li+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+
 #	Enthalpy of formation:	-66.552 kcal/mol
-Lu+3 =  Lu+3 
-	-llnl_gamma	5.0000	
+Lu+3 = Lu+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Lu+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3
 #	Enthalpy of formation:	-167.9 kcal/mol
-Mg+2 =  Mg+2 
-	-llnl_gamma	8.0000	
+Mg+2 = Mg+2
+	-llnl_gamma 8
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mg+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2
 #	Enthalpy of formation:	-111.367 kcal/mol
-Mn+2 =  Mn+2 
-	-llnl_gamma	6.0000	
+Mn+2 = Mn+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Mn+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2
 #	Enthalpy of formation:	-52.724 kcal/mol
-MoO4-2 =  MoO4-2 
-	-llnl_gamma	4.5000	
+MoO4-2 = MoO4-2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	MoO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2
 #	Enthalpy of formation:	-238.5 kcal/mol
-NH3 =  NH3 
-	-llnl_gamma	3.0000	
+NH3 = NH3
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	NH3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3
 #	Enthalpy of formation:	-19.44 kcal/mol
-Na+ =  Na+ 
-	-llnl_gamma	4.0000	
+Na+ = Na+
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Na+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+
 #	Enthalpy of formation:	-57.433 kcal/mol
-Nd+3 =  Nd+3 
-	-llnl_gamma	9.0000	
+Nd+3 = Nd+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Nd+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3
 #	Enthalpy of formation:	-166.5 kcal/mol
-Ne =  Ne 
-	-llnl_gamma	3.0000	
+Ne = Ne
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ne
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne
 #	Enthalpy of formation:	-0.87 kcal/mol
-Ni+2 =  Ni+2 
-	-llnl_gamma	6.0000	
+Ni+2 = Ni+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ni+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2
 #	Enthalpy of formation:	-12.9 kcal/mol
-Np+4 =  Np+4 
-	-llnl_gamma	5.5000	
+Np+4 = Np+4
+	-llnl_gamma 5.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Np+4
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4
 #	Enthalpy of formation:	-556.001 kJ/mol
-H2O =  H2O 
-	-llnl_gamma	3.0000	
-        log_k   0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	H2O
+H2O = H2O
+	-llnl_gamma 3
+        log_k 0
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O
 #	Enthalpy of formation:	-68.317 kcal/mol
-O_phthalate-2 =  O_phthalate-2 
-	-llnl_gamma	4.0000	
+O_phthalate-2 = O_phthalate-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O_phthalate-2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2
 #	Enthalpy of formation:	-0 kcal/mol
-Pb+2 =  Pb+2 
-	-llnl_gamma	4.5000	
+Pb+2 = Pb+2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2
 #	Enthalpy of formation:	0.22 kcal/mol
-Pd+2 =  Pd+2 
-	-llnl_gamma	4.5000	
+Pd+2 = Pd+2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pd+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2
 #	Enthalpy of formation:	42.08 kcal/mol
-Pm+3 =  Pm+3 
+Pm+3 = Pm+3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pm+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3
 #	Enthalpy of formation:	-688 kJ/mol
-Pr+3 =  Pr+3 
-	-llnl_gamma	9.0000	
+Pr+3 = Pr+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pr+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3
 #	Enthalpy of formation:	-168.8 kcal/mol
-Pu+4 =  Pu+4 
-	-llnl_gamma	5.5000	
+Pu+4 = Pu+4
+	-llnl_gamma 5.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pu+4
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4
 #	Enthalpy of formation:	-535.893 kJ/mol
-Ra+2 =  Ra+2 
-	-llnl_gamma	5.0000	
+Ra+2 = Ra+2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ra+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2
 #	Enthalpy of formation:	-126.1 kcal/mol
-Rb+ =  Rb+ 
-	-llnl_gamma	2.5000	
+Rb+ = Rb+
+	-llnl_gamma 2.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rb+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+
 #	Enthalpy of formation:	-60.02 kcal/mol
-ReO4- =  ReO4- 
-	-llnl_gamma	4.0000	
+ReO4- = ReO4-
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	ReO4-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4-
 #	Enthalpy of formation:	-188.2 kcal/mol
-Rn =  Rn 
-	-llnl_gamma	3.0000	
+Rn = Rn
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Rn
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn
 #	Enthalpy of formation:	-5 kcal/mol
-RuO4-2 =  RuO4-2 
-	-llnl_gamma	4.0000	
+RuO4-2 = RuO4-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	RuO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2
 #	Enthalpy of formation:	-457.075 kJ/mol
-SO4-2 =  SO4-2 
-	-llnl_gamma	4.0000	
+SO4-2 = SO4-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2
 #	Enthalpy of formation:	-217.4 kcal/mol
-Sb(OH)3 =  Sb(OH)3 
-	-llnl_gamma	3.0000	
+Sb(OH)3 = Sb(OH)3
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sb(OH)3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3
 #	Enthalpy of formation:	-773.789 kJ/mol
-Sc+3 =  Sc+3 
-	-llnl_gamma	9.0000	
+Sc+3 = Sc+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sc+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3
 #	Enthalpy of formation:	-146.8 kcal/mol
-SeO3-2 =  SeO3-2 
-	-llnl_gamma	4.0000	
+SeO3-2 = SeO3-2
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SeO3-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2
 #	Enthalpy of formation:	-121.7 kcal/mol
-SiO2 =  SiO2 
-	-llnl_gamma	3.0000	
+SiO2 = SiO2
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	SiO2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2
 #	Enthalpy of formation:	-209.775 kcal/mol
-Sm+3 =  Sm+3 
-	-llnl_gamma	9.0000	
+Sm+3 = Sm+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sm+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3
 #	Enthalpy of formation:	-165.2 kcal/mol
-Sn+2 =  Sn+2 
-	-llnl_gamma	6.0000	
+Sn+2 = Sn+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sn+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2
 #	Enthalpy of formation:	-2.1 kcal/mol
-Sr+2 =  Sr+2 
-	-llnl_gamma	5.0000	
+Sr+2 = Sr+2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2
 #	Enthalpy of formation:	-131.67 kcal/mol
-Tb+3 =  Tb+3 
-	-llnl_gamma	5.0000	
+Tb+3 = Tb+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tb+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3
 #	Enthalpy of formation:	-166.9 kcal/mol
-TcO4- =  TcO4- 
-	-llnl_gamma	4.0000	
+TcO4- = TcO4-
+	-llnl_gamma 4
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	TcO4-
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4-
 #	Enthalpy of formation:	-716.269 kJ/mol
-Th+4 =  Th+4 
-	-llnl_gamma	11.0000	
+Th+4 = Th+4
+	-llnl_gamma 11
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Th+4
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4
 #	Enthalpy of formation:	-183.8 kcal/mol
-Ti(OH)4 =  Ti(OH)4 
-	-llnl_gamma	3.0000	
+Ti(OH)4 = Ti(OH)4
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(OH)4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4
 #	Enthalpy of formation:	-0 kcal/mol
-Tl+ =  Tl+ 
-	-llnl_gamma	2.5000	
+Tl+ = Tl+
+	-llnl_gamma 2.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tl+
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+
 #	Enthalpy of formation:	1.28 kcal/mol
-Tm+3 =  Tm+3 
-	-llnl_gamma	5.0000	
+Tm+3 = Tm+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Tm+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3
 #	Enthalpy of formation:	-168.5 kcal/mol
-UO2+2 =  UO2+2 
-	-llnl_gamma	4.5000	
+UO2+2 = UO2+2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	UO2+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2
 #	Enthalpy of formation:	-1019 kJ/mol
-VO+2 =  VO+2 
-	-llnl_gamma	4.5000	
+VO+2 = VO+2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	VO+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2
 #	Enthalpy of formation:	-116.3 kcal/mol
-WO4-2 =  WO4-2 
-	-llnl_gamma	5.0000	
+WO4-2 = WO4-2
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	WO4-2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2
 #	Enthalpy of formation:	-257.1 kcal/mol
-Xe =  Xe 
-	-llnl_gamma	3.0000	
+Xe = Xe
+	-llnl_gamma 3
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Xe
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe
 #	Enthalpy of formation:	-4.51 kcal/mol
-Y+3 =  Y+3 
-	-llnl_gamma	9.0000	
+Y+3 = Y+3
+	-llnl_gamma 9
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Y+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3
 #	Enthalpy of formation:	-170.9 kcal/mol
-Yb+3 =  Yb+3 
-	-llnl_gamma	5.0000	
+Yb+3 = Yb+3
+	-llnl_gamma 5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Yb+3
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3
 #	Enthalpy of formation:	-160.3 kcal/mol
-Zn+2 =  Zn+2 
-	-llnl_gamma	6.0000	
+Zn+2 = Zn+2
+	-llnl_gamma 6
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zn+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2
 #	Enthalpy of formation:	-36.66 kcal/mol
-Zr(OH)2+2 =  Zr(OH)2+2 
-	-llnl_gamma	4.5000	
+Zr(OH)2+2 = Zr(OH)2+2
+	-llnl_gamma 4.5
 	log_k 0
-	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Zr(OH)2+2
+	-delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2
 #	Enthalpy of formation:	-260.717 kcal/mol
 
-2H2O =  O2 + 4H+ + 4e-  
+2 H2O = O2 + 4 H+ + 4 e-
 	-CO2_llnl_gamma
- 	log_k      -85.9951
-	-delta_H	559.543	kJ/mol	# Calculated enthalpy of reaction	O2
+ 	log_k -85.9951
+	-delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
 #	Enthalpy of formation:	-2.9 kcal/mol
-        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+        -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45
 #	Range:  0-300
 
- 1.0000 SO4-- + 1.0000 H+  =  HS- +2.0000 O2  
-        -llnl_gamma           3.5    
-        log_k           -138.3169
-	-delta_H	869.226	kJ/mol	# Calculated enthalpy of reaction	HS-
+ SO4-2 + H+ = HS- + 2 O2
+        -llnl_gamma 3.5
+        log_k -138.3169
+	-delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS-
 #	Enthalpy of formation:	-3.85 kcal/mol
-        -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005
+        -analytic 2.6251e+1 3.9525e-2 -4.5443e+4 -1.1107e+1 3.1843e+5
 #       -Range:  0-300
 
- .5000 O2 + 2.0000 HS-  = S2--  + H2O
+ .5 O2 + 2 HS- = S2-2 + H2O
 #2 HS- = S2-- +2 H+ + 2e-
-        -llnl_gamma           4.0    
-        log_k           33.2673
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2-2
+        -llnl_gamma 4
+        log_k 33.2673
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.21730E+02   -0.12307E-02    0.10098E+05   -0.88813E+01    0.15757E+03
-	-mass_balance	S(-2)2
+        -analytic 0.2173E+2 -0.12307E-2 0.10098E+5 -0.88813E+1 0.15757E+3
+	-mass_balance S(-2)2
 #       -Range:  0-300
 #	-add_logk	Log_K_O2	0.5
 
-2.0000 H+  + 2.0000 SO3--  = S2O3--  + O2  + H2O
-        -llnl_gamma           4.0    
-        log_k           -40.2906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O3-2
+2 H+ + 2 SO3-2 = S2O3-2 + O2 + H2O
+        -llnl_gamma 4
+        log_k -40.2906
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic  0.77679E+02    0.65761E-01   -0.15438E+05   -0.34651E+02   -0.24092E+03
+        -analytic 0.77679E+2 0.65761E-1 -0.15438E+5 -0.34651E+2 -0.24092E+3
 #       -Range:  0-300
 
- 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2  =  Ag++ +0.5000 H2O 
-        -llnl_gamma           4.5    
-        log_k           -12.1244
-	-delta_H	22.9764	kJ/mol	# Calculated enthalpy of reaction	Ag+2
+ H+ + Ag+ + 0.25 O2 = Ag+2 + 0.5 H2O
+        -llnl_gamma 4.5
+        log_k -12.1244
+	-delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2
 #	Enthalpy of formation:	64.2 kcal/mol
-        -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000
+        -analytic -4.7312e+1 -1.5239e-2 -4.1954e+2 1.6622e+1 -6.5328e+0
 #       -Range:  0-300
 
- 1.0000 Am+++ + 0.5000 H2O  =  Am++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -60.3792
-	-delta_H	401.953	kJ/mol	# Calculated enthalpy of reaction	Am+2
+ Am+3 + 0.5 H2O = Am+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -60.3792
+	-delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2
 #	Enthalpy of formation:	-354.633 kJ/mol
-        -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002
+        -analytic 1.4922e+1 3.5993e-3 -2.0987e+4 -2.4146e+0 -3.2749e+2
 #       -Range:  0-300
 
- 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2  =  Am++++ +0.5000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -22.7073
-	-delta_H	70.8142	kJ/mol	# Calculated enthalpy of reaction	Am+4
+ H+ + Am+3 + 0.25 O2 = Am+4 + 0.5 H2O
+        -llnl_gamma 5.5
+        log_k -22.7073
+	-delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4
 #	Enthalpy of formation:	-406 kJ/mol
-        -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001
+        -analytic -1.746e+1 -2.2336e-3 -3.5139e+3 2.9102e+0 -5.4826e+1
 #       -Range:  0-300
 
- 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2  =  AmO2+ +2.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -15.384
-	-delta_H	104.345	kJ/mol	# Calculated enthalpy of reaction	AmO2+
+ H2O + Am+3 + 0.5 O2 = AmO2+ + 2 H+
+        -llnl_gamma 4
+        log_k -15.384
+	-delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+
 #	Enthalpy of formation:	-804.26 kJ/mol
-        -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005
+        -analytic 1.411e+1 6.9728e-3 -4.2098e+3 -6.0936e+0 -2.1192e+5
 #       -Range:  0-300
 
- 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O  =  AmO2++ +1.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           -20.862
-	-delta_H	117.959	kJ/mol	# Calculated enthalpy of reaction	AmO2+2
+ Am+3 + 0.75 O2 + 0.5 H2O = AmO2+2 + H+
+        -llnl_gamma 4.5
+        log_k -20.862
+	-delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2
 #	Enthalpy of formation:	-650.76 kJ/mol
-        -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002
+        -analytic 5.7163e+1 4.0278e-3 -8.4633e+3 -2.055e+1 -1.3208e+2
 #       -Range:  0-300
 
- 1.0000 H2AsO4- + 1.0000 H+  =  AsH3 +2.0000 O2  
-        -llnl_gamma           3.0    
-        log_k           -155.1907
-	-delta_H	931.183	kJ/mol	# Calculated enthalpy of reaction	AsH3
+ H2AsO4- + H+ = AsH3 + 2 O2
+        -llnl_gamma 3
+        log_k -155.1907
+	-delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3
 #	Enthalpy of formation:	10.968 kcal/mol
-        -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002
+        -analytic 2.831e+2 9.6961e-2 -5.483e+4 -1.1449e+2 -9.3119e+2
 #       -Range:  0-200
 
- 2.0000 H+ + 1.0000 Au+ + 0.5000 O2  =  Au+++ +1.0000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -4.3506
-	-delta_H	-73.2911	kJ/mol	# Calculated enthalpy of reaction	Au+3
+ 2 H+ + Au+ + 0.5 O2 = Au+3 + H2O
+        -llnl_gamma 5
+        log_k -4.3506
+	-delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3
 #	Enthalpy of formation:	96.93 kcal/mol
-        -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001
+        -analytic -6.8661e+1 -2.6838e-2 4.4549e+3 2.3178e+1 6.9534e+1
 #       -Range:  0-300
 
- 1.0000 H2O + 1.0000 B(OH)3  =  BH4- +2.0000 O2 +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -237.1028
-	-delta_H	1384.24	kJ/mol	# Calculated enthalpy of reaction	BH4-
+ H2O + B(OH)3 = BH4- + 2 O2 + H+
+        -llnl_gamma 4
+        log_k -237.1028
+	-delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4-
 #	Enthalpy of formation:	48.131 kJ/mol
-        -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003
+        -analytic -7.493e+1 -7.2794e-3 -6.9168e+4 2.9105e+1 -1.0793e+3
 #       -Range:  0-300
 
- 3.0000 Br- + 2.0000 H+ + 0.5000 O2  =  Br3- +1.0000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +7.0696
-	-delta_H	-45.6767	kJ/mol	# Calculated enthalpy of reaction	Br3-
+ 3 Br- + 2 H+ + 0.5 O2 = Br3- + H2O
+        -llnl_gamma 4
+        log_k 7.0696
+	-delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3-
 #	Enthalpy of formation:	-31.17 kcal/mol
-        -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000
+        -analytic 1.4899e+2 6.4017e-2 -3.3831e+2 -6.4596e+1 -5.3232e+0
 #       -Range:  0-300
 
- 1.0000 Br- + 0.5000 O2  =  BrO-   
-        -llnl_gamma           4.0    
-        log_k           -10.9167
-	-delta_H	33.4302	kJ/mol	# Calculated enthalpy of reaction	BrO-
+ Br- + 0.5 O2 = BrO-
+        -llnl_gamma 4
+        log_k -10.9167
+	-delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO-
 #	Enthalpy of formation:	-22.5 kcal/mol
-        -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001
+        -analytic 5.4335e+1 1.9509e-3 -4.286e+3 -2.0799e+1 -6.6896e+1
 #       -Range:  0-300
 
- 1.5000 O2 + 1.0000 Br-  =  BrO3-   
-        -llnl_gamma           3.5    
-        log_k           -17.1443
-	-delta_H	72.6342	kJ/mol	# Calculated enthalpy of reaction	BrO3-
+ 1.5 O2 + Br- = BrO3-
+        -llnl_gamma 3.5
+        log_k -17.1443
+	-delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3-
 #	Enthalpy of formation:	-16.03 kcal/mol
-        -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005
+        -analytic 3.7156e+1 -4.7855e-3 -4.6208e+3 -1.4136e+1 -2.1385e+5
 #       -Range:  0-300
 
- 2.0000 O2 + 1.0000 Br-  =  BrO4-   
-        -llnl_gamma           4.0    
-        log_k           -33.104
-	-delta_H	158.741	kJ/mol	# Calculated enthalpy of reaction	BrO4-
+ 2 O2 + Br- = BrO4-
+        -llnl_gamma 4
+        log_k -33.104
+	-delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4-
 #	Enthalpy of formation:	3.1 kcal/mol
-        -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002
+        -analytic 8.1393e+1 -2.3409e-3 -1.229e+4 -2.9336e+1 -1.918e+2
 #       -Range:  0-300
 
-#  1.0000 NH3 + 1.0000 HCO3-  =  CN- +2.0000 H2O +0.5000 O2 
-#         -llnl_gamma           3.0    
+#  1.0000 NH3 + 1.0000 HCO3-  =  CN- +2.0000 H2O +0.5000 O2
+#         -llnl_gamma           3.0
 #         log_k           -56.0505
 # 	-delta_H	344.151	kJ/mol	# Calculated enthalpy of reaction	CN-
 # #	Enthalpy of formation:	36 kcal/mol
@@ -845,493 +849,493 @@ Zr(OH)2+2 =  Zr(OH)2+2
 # #       -Range:  0-300
 
 Cyanide- = Cyanide-
-	log_k  0
+	log_k 0
 
- H+  + HCO3-  + H2O  = CH4 + 2.0000 O2
-        -llnl_gamma           3.0    
-        log_k            -144.1412
-	-delta_H	863.599	kJ/mol	# Calculated enthalpy of reaction	CH4
+ H+ + HCO3- + H2O = CH4 + 2 O2
+        -llnl_gamma 3
+        log_k -144.1412
+	-delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4
 #	Enthalpy of formation:	-21.01 kcal/mol
-	-analytic    -0.41698E+02    0.36584E-01   -0.40675E+05    0.93479E+01   -0.63468E+03
+	-analytic -0.41698E+2 0.36584E-1 -0.40675E+5 0.93479E+1 -0.63468E+3
 #       -Range:  0-300
 
- 2.0000 H+  + 2.0000 HCO3-  + H2O  = C2H6  + 3.5000 O2
-        -llnl_gamma           3.0    
-        log_k            -228.6072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	C2H6
+ 2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
+        -llnl_gamma 3
+        log_k -228.6072
+	-delta_H 0 # Not possible to calculate enthalpy of reaction C2H6
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic    -0.10777E+02    0.72105E-01   -0.67489E+05   -0.13915E+02   -0.10531E+04
+        -analytic -0.10777E+2 0.72105E-1 -0.67489E+5 -0.13915E+2 -0.10531E+4
 #       -Range:  0-300
 
- 2.000 H+  + 2.0000 HCO3-  = C2H4 + 3.0000 O2
-        -llnl_gamma           3.0    
-        log_k            -254.5034
-	-delta_H	1446.6	kJ/mol	# Calculated enthalpy of reaction	C2H4
+ 2 H+ + 2 HCO3- = C2H4 + 3 O2
+        -llnl_gamma 3
+        log_k -254.5034
+	-delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4
 #	Enthalpy of formation:	24.65 kcal/mol
-        -analytic    -0.30329E+02    0.71187E-01   -0.73140E+05    0.00000E+00    0.00000E+00
+        -analytic -0.30329E+2 0.71187E-1 -0.7314E+5 0E+0 0E+0
 #       -Range:  0-300
 
- 1.0000 HCO3- + 1.0000 H+  =  CO +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           3.0    
-        log_k           -41.7002
-	-delta_H	277.069	kJ/mol	# Calculated enthalpy of reaction	CO
+ HCO3- + H+ = CO + H2O + 0.5 O2
+        -llnl_gamma 3
+        log_k -41.7002
+	-delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO
 #	Enthalpy of formation:	-28.91 kcal/mol
-        -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005
+        -analytic 1.0028e+2 4.6877e-2 -1.8062e+4 -4.0263e+1 3.8031e+5
 #       -Range:  0-300
 
- 1.0000 Ce+++ + 0.5000 H2O  =  Ce++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -83.6754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
+ Ce+3 + 0.5 H2O = Ce+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -83.6754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2  =  Ce++++ +0.5000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -7.9154
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+4
+
+ H+ + Ce+3 + 0.25 O2 = Ce+4 + 0.5 H2O
+        -llnl_gamma 5.5
+        log_k -7.9154
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Cl- + 0.5000 O2  =  ClO-   
-        -llnl_gamma           4.0    
-        log_k           -15.1014
-	-delta_H	66.0361	kJ/mol	# Calculated enthalpy of reaction	ClO-
+
+ Cl- + 0.5 O2 = ClO-
+        -llnl_gamma 4
+        log_k -15.1014
+	-delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO-
 #	Enthalpy of formation:	-25.6 kcal/mol
-        -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001
+        -analytic 6.1314e+1 3.4812e-3 -6.0952e+3 -2.3043e+1 -9.5128e+1
 #       -Range:  0-300
 
- 1.0000 O2 + 1.0000 Cl-  =  ClO2-   
-        -llnl_gamma           4.0    
-        log_k           -23.108
-	-delta_H	112.688	kJ/mol	# Calculated enthalpy of reaction	ClO2-
+ O2 + Cl- = ClO2-
+        -llnl_gamma 4
+        log_k -23.108
+	-delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2-
 #	Enthalpy of formation:	-15.9 kcal/mol
-        -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005
+        -analytic 3.3638e+0 -6.1675e-3 -4.9726e+3 -2.0467e+0 -2.5769e+5
 #       -Range:  0-300
 
- 1.5000 O2 + 1.0000 Cl-  =  ClO3-   
-        -llnl_gamma           3.5    
-        log_k           -17.2608
-	-delta_H	81.3077	kJ/mol	# Calculated enthalpy of reaction	ClO3-
+ 1.5 O2 + Cl- = ClO3-
+        -llnl_gamma 3.5
+        log_k -17.2608
+	-delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3-
 #	Enthalpy of formation:	-24.85 kcal/mol
-        -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005
+        -analytic 2.8852e+1 -4.8281e-3 -4.6779e+3 -1.0772e+1 -2.0783e+5
 #       -Range:  0-300
 
- 2.0000 O2 + 1.0000 Cl-  =  ClO4-   
-        -llnl_gamma           3.5    
-        log_k           -15.7091
-	-delta_H	62.0194	kJ/mol	# Calculated enthalpy of reaction	ClO4-
+ 2 O2 + Cl- = ClO4-
+        -llnl_gamma 3.5
+        log_k -15.7091
+	-delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4-
 #	Enthalpy of formation:	-30.91 kcal/mol
-        -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005
+        -analytic 7.028e+1 -6.8927e-5 -5.569e+3 -2.6446e+1 -1.6596e+5
 #       -Range:  0-300
 
- 1.0000 H+ + 1.0000 Co++ + 0.2500 O2  =  Co+++ +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -11.4845
-	-delta_H	10.3198	kJ/mol	# Calculated enthalpy of reaction	Co+3
+ H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O
+        -llnl_gamma 5
+        log_k -11.4845
+	-delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3
 #	Enthalpy of formation:	22 kcal/mol
-        -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001
+        -analytic -2.2827e+1 -1.2222e-2 -7.2117e+2 7.0306e+0 -1.1247e+1
 #       -Range:  0-300
 
- 4.0000 H+ + 1.0000 CrO4--  =  Cr++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           4.5    
-        log_k           -21.6373
-	-delta_H	153.829	kJ/mol	# Calculated enthalpy of reaction	Cr+2
+ 4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2
+        -llnl_gamma 4.5
+        log_k -21.6373
+	-delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2
 #	Enthalpy of formation:	-34.3 kcal/mol
-        -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002
+        -analytic 6.9003e+1 6.2884e-2 -6.9847e+3 -3.472e+1 -1.0901e+2
 #       -Range:  0-300
 
- 5.0000 H+ + 1.0000 CrO4--  =  Cr+++ +2.5000 H2O +0.7500 O2 
-        -llnl_gamma           9.0    
-        log_k           +8.3842
-	-delta_H	-81.0336	kJ/mol	# Calculated enthalpy of reaction	Cr+3
+ 5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2
+        -llnl_gamma 9
+        log_k 8.3842
+	-delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3
 #	Enthalpy of formation:	-57 kcal/mol
-        -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001
+        -analytic 5.1963e+1 6.0932e-2 5.4256e+3 -3.229e+1 8.4645e+1
 #       -Range:  0-300
 
- 0.5000 H2O + 1.0000 CrO4--  =  CrO4--- +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -19.7709
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO4-3
+ 0.5 H2O + CrO4-2 = CrO4-3 + H+ + 0.25 O2
+        -llnl_gamma 4
+        log_k -19.7709
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Cu++ + 0.5000 H2O  =  Cu+ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -18.7704
-	-delta_H	145.877	kJ/mol	# Calculated enthalpy of reaction	Cu+
+
+ Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2
+        -llnl_gamma 4
+        log_k -18.7704
+	-delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+
 #	Enthalpy of formation:	17.132 kcal/mol
-        -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002
+        -analytic 3.7909e+1 1.3731e-2 -8.1506e+3 -1.3508e+1 -1.2719e+2
 #       -Range:  0-300
 
- 1.0000 Dy+++ + 0.5000 H2O  =  Dy++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -61.0754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy+2
+ Dy+3 + 0.5 H2O = Dy+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -61.0754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Er+++ + 0.5000 H2O  =  Er++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -70.1754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er+2
+
+ Er+3 + 0.5 H2O = Er+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -70.1754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Eu+++ + 0.5000 H2O  =  Eu++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -27.5115
-	-delta_H	217.708	kJ/mol	# Calculated enthalpy of reaction	Eu+2
+
+ Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -27.5115
+	-delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2
 #	Enthalpy of formation:	-126.1 kcal/mol
-        -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005
+        -analytic 3.03e+1 1.4126e-2 -1.2319e+4 -9.0585e+0 1.5289e+5
 #       -Range:  0-300
 
- 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2  =  Fe+++ +0.5000 H2O 
-        -llnl_gamma           9.0    
-        log_k           +8.4899
-	-delta_H	-97.209	kJ/mol	# Calculated enthalpy of reaction	Fe+3
+ H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O
+        -llnl_gamma 9
+        log_k 8.4899
+	-delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3
 #	Enthalpy of formation:	-11.85 kcal/mol
-        -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001
+        -analytic -1.7808e+1 -1.1753e-2 4.7609e+3 5.5866e+0 7.4295e+1
 #       -Range:  0-300
 
- 1.0000 Gd+++ + 0.5000 H2O  =  Gd++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -84.6754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd+2
+ Gd+3 + 0.5 H2O = Gd+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -84.6754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 H2O  =  H2 +0.5000 O2   
+
+ H2O = H2 + 0.5 O2
 	-CO2_llnl_gamma
-        log_k           -46.1066
-	-delta_H	275.588	kJ/mol	# Calculated enthalpy of reaction	H2
+        log_k -46.1066
+	-delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2
 #	Enthalpy of formation:	-1 kcal/mol
-        -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005
+        -analytic 6.6835e+1 1.7172e-2 -1.8849e+4 -2.4092e+1 4.2501e+5
 #       -Range:  0-300
 
- 1.0000 H2AsO4-  =  H2AsO3- +0.5000 O2   
-        -llnl_gamma           4.0    
-        log_k           -30.5349
-	-delta_H	188.698	kJ/mol	# Calculated enthalpy of reaction	H2AsO3-
+ H2AsO4- = H2AsO3- + 0.5 O2
+        -llnl_gamma 4
+        log_k -30.5349
+	-delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3-
 #	Enthalpy of formation:	-170.84 kcal/mol
-        -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005
+        -analytic 7.4245e+1 1.4885e-2 -1.4218e+4 -2.6403e+1 3.3822e+5
 #       -Range:  0-300
 
- 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2  =  HSO5-  
-        -llnl_gamma           4.0    
-        log_k           -17.2865
-	-delta_H	140.038	kJ/mol	# Calculated enthalpy of reaction	HSO5-
+ SO4-2 + H+ + 0.5 O2 = HSO5-
+        -llnl_gamma 4
+        log_k -17.2865
+	-delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5-
 #	Enthalpy of formation:	-185.38 kcal/mol
-        -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002
+        -analytic 5.9944e+1 3.0904e-2 -7.7494e+3 -2.442e+1 -1.2094e+2
 #       -Range:  0-300
 
- 1.0000 SeO3-- + 1.0000 H+  =  HSe- +1.5000 O2  
-        -llnl_gamma           4.0    
-        log_k           -76.8418
-	-delta_H	506.892	kJ/mol	# Calculated enthalpy of reaction	HSe-
+ SeO3-2 + H+ = HSe- + 1.5 O2
+        -llnl_gamma 4
+        log_k -76.8418
+	-delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe-
 #	Enthalpy of formation:	3.8 kcal/mol
-        -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005
+        -analytic 4.7105e+1 4.3116e-2 -2.6949e+4 -1.9895e+1 2.5305e+5
 #       -Range:  0-300
 
- 2.0000 Hg++ + 1.0000 H2O  =  Hg2++ +2.0000 H+ +0.5000 O2 
-        -llnl_gamma           4.0    
-        log_k           -12.208
-	-delta_H	106.261	kJ/mol	# Calculated enthalpy of reaction	Hg2+2
+ 2 Hg+2 + H2O = Hg2+2 + 2 H+ + 0.5 O2
+        -llnl_gamma 4
+        log_k -12.208
+	-delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2
 #	Enthalpy of formation:	39.87 kcal/mol
-        -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001
+        -analytic 5.501e+1 1.905e-2 -4.7967e+3 -2.2952e+1 -7.4864e+1
 #       -Range:  0-300
 
- 1.0000 Ho+++ + 0.5000 H2O  =  Ho++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -67.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho+2
+ Ho+3 + 0.5 H2O = Ho+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -67.3754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 3.0000 I- + 2.0000 H+ + 0.5000 O2  =  I3- +1.0000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +24.7278
-	-delta_H	-160.528	kJ/mol	# Calculated enthalpy of reaction	I3-
+
+ 3 I- + 2 H+ + 0.5 O2 = I3- + H2O
+        -llnl_gamma 4
+        log_k 24.7278
+	-delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3-
 #	Enthalpy of formation:	-12.3 kcal/mol
-        -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001
+        -analytic 1.4788e+2 6.6206e-2 5.7407e+3 -6.5517e+1 8.9535e+1
 #       -Range:  0-300
 
- 1.0000 I- + 0.5000 O2  =  IO-   
-        -llnl_gamma           4.0    
-        log_k           -0.9038
-	-delta_H	-44.5596	kJ/mol	# Calculated enthalpy of reaction	IO-
+ I- + 0.5 O2 = IO-
+        -llnl_gamma 4
+        log_k -0.9038
+	-delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO-
 #	Enthalpy of formation:	-25.7 kcal/mol
-        -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005
+        -analytic 2.7568e+0 -5.5671e-3 3.2484e+3 -3.9065e+0 -2.88e+5
 #       -Range:  0-300
 
- 1.5000 O2 + 1.0000 I-  =  IO3-   
-        -llnl_gamma           4.0    
-        log_k           +17.6809
-	-delta_H	-146.231	kJ/mol	# Calculated enthalpy of reaction	IO3-
+ 1.5 O2 + I- = IO3-
+        -llnl_gamma 4
+        log_k 17.6809
+	-delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3-
 #	Enthalpy of formation:	-52.9 kcal/mol
-        -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005
+        -analytic -2.2971e+1 -1.3478e-2 9.5977e+3 6.601e+0 -3.4371e+5
 #       -Range:  0-300
 
- 2.0000 O2 + 1.0000 I-  =  IO4-   
-        -llnl_gamma           3.5    
-        log_k           +6.9621
-	-delta_H	-70.2912	kJ/mol	# Calculated enthalpy of reaction	IO4-
+ 2 O2 + I- = IO4-
+        -llnl_gamma 3.5
+        log_k 6.9621
+	-delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4-
 #	Enthalpy of formation:	-36.2 kcal/mol
-        -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005
+        -analytic 2.1232e+1 -7.8107e-3 3.5803e+3 -8.5272e+0 -2.5422e+5
 #       -Range:  0-300
 
- 1.0000 La+++ + 0.5000 H2O  =  La++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -72.4754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La+2
+ La+3 + 0.5 H2O = La+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -72.4754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2  =  Mn+++ +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -4.0811
-	-delta_H	-65.2892	kJ/mol	# Calculated enthalpy of reaction	Mn+3
+
+ Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O
+        -llnl_gamma 5
+        log_k -4.0811
+	-delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3
 #	Enthalpy of formation:	-34.895 kcal/mol
-        -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001
+        -analytic 3.8873e+1 1.7458e-2 2.0757e+3 -2.2274e+1 3.2378e+1
 #       -Range:  0-300
 
- 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++  =  MnO4-- +4.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           -32.4146
-	-delta_H	151.703	kJ/mol	# Calculated enthalpy of reaction	MnO4-2
+ 2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -32.4146
+	-delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2
 #	Enthalpy of formation:	-156 kcal/mol
-        -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002
+        -analytic -1.0407e+1 -4.6464e-2 -1.0515e+4 1.0943e+1 -1.6408e+2
 #       -Range:  0-300
 
- 2.0000 NH3 + 1.5000 O2  =  N2 +3.0000 H2O  
-        -llnl_gamma           3.0    
-        log_k           +116.4609
-	-delta_H	-687.08	kJ/mol	# Calculated enthalpy of reaction	N2
+ 2 NH3 + 1.5 O2 = N2 + 3 H2O
+        -llnl_gamma 3
+        log_k 116.4609
+	-delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2
 #	Enthalpy of formation:	-2.495 kcal/mol
-        -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005
+        -analytic -8.2621e+1 -1.4671e-2 4.0068e+4 2.909e+1 -2.5924e+5
 #       -Range:  0-300
 
- 3.0000 NH3 + 2.0000 O2  =  N3- +4.0000 H2O +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +96.9680
-	-delta_H	-599.935	kJ/mol	# Calculated enthalpy of reaction	N3-
+ 3 NH3 + 2 O2 = N3- + 4 H2O + H+
+        -llnl_gamma 4
+        log_k 96.968
+	-delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3-
 #	Enthalpy of formation:	275.14 kJ/mol
-        -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005
+        -analytic -9.108e+1 -4.0817e-2 3.635e+4 3.4484e+1 -6.2678e+5
 #       -Range:  0-300
 
- 1.5000 O2 + 1.0000 NH3  =  NO2- +1.0000 H+ +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +46.8653
-	-delta_H	-290.901	kJ/mol	# Calculated enthalpy of reaction	NO2-
+ 1.5 O2 + NH3 = NO2- + H+ + H2O
+        -llnl_gamma 3
+        log_k 46.8653
+	-delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2-
 #	Enthalpy of formation:	-25 kcal/mol
-        -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004
+        -analytic -1.7011e+1 -3.3459e-2 1.3999e+4 1.1078e+1 -4.8255e+4
 #       -Range:  0-300
 
- 2.0000 O2 + 1.0000 NH3  =  NO3- +1.0000 H+ +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +62.1001
-	-delta_H	-387.045	kJ/mol	# Calculated enthalpy of reaction	NO3-
+ 2 O2 + NH3 = NO3- + H+ + H2O
+        -llnl_gamma 3
+        log_k 62.1001
+	-delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3-
 #	Enthalpy of formation:	-49.429 kcal/mol
-        -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005
+        -analytic -3.9468e+1 -3.9697e-2 2.0614e+4 1.8872e+1 -2.1917e+5
 #       -Range:  0-300
 
- 1.0000 Nd+++ + 0.5000 H2O  =  Nd++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -64.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd+2
+ Nd+3 + 0.5 H2O = Nd+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -64.3754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Np++++ + 0.5000 H2O  =  Np+++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -19.0131
-	-delta_H	168.787	kJ/mol	# Calculated enthalpy of reaction	Np+3
+
+ Np+4 + 0.5 H2O = Np+3 + H+ + 0.25 O2
+        -llnl_gamma 5
+        log_k -19.0131
+	-delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3
 #	Enthalpy of formation:	-527.1 kJ/mol
-        -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002
+        -analytic 1.6615e+1 2.4645e-3 -8.9343e+3 -2.5829e+0 -1.3942e+2
 #       -Range:  0-300
 
- 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2  =  NpO2+ +3.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +10.5928
-	-delta_H	9.80089	kJ/mol	# Calculated enthalpy of reaction	NpO2+
+ 1.5 H2O + Np+4 + 0.25 O2 = NpO2+ + 3 H+
+        -llnl_gamma 4
+        log_k 10.5928
+	-delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+
 #	Enthalpy of formation:	-977.991 kJ/mol
-        -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005
+        -analytic 1.2566e+1 7.5467e-3 1.6921e+3 -2.7125e+0 -2.8381e+5
 #       -Range:  0-300
 
- 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2  =  NpO2++ +2.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           +11.2107
-	-delta_H	-12.5719	kJ/mol	# Calculated enthalpy of reaction	NpO2+2
+ Np+4 + H2O + 0.5 O2 = NpO2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k 11.2107
+	-delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2
 #	Enthalpy of formation:	-860.478 kJ/mol
-        -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005
+        -analytic 2.551e+1 1.1973e-3 1.2753e+3 -6.7082e+0 -2.0792e+5
 #       -Range:  0-300
 
- 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2  =  Pb++++ +1.0000 H2O 
-        -llnl_gamma           5.5    
-        log_k           -14.1802
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
+ 2 H+ + Pb+2 + 0.5 O2 = Pb+4 + H2O
+        -llnl_gamma 5.5
+        log_k -14.1802
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pm+++ + 0.5000 H2O  =  Pm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -65.2754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm+2
+
+ Pm+3 + 0.5 H2O = Pm+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -65.2754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pr+++ + 0.5000 H2O  =  Pr++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -79.9754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr+2
+
+ Pr+3 + 0.5 H2O = Pr+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -79.9754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 Pu++++ + 0.5000 H2O  =  Pu+++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -4.5071
-	-delta_H	84.2268	kJ/mol	# Calculated enthalpy of reaction	Pu+3
+
+ Pu+4 + 0.5 H2O = Pu+3 + H+ + 0.25 O2
+        -llnl_gamma 5
+        log_k -4.5071
+	-delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3
 #	Enthalpy of formation:	-591.552 kJ/mol
-        -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004
+        -analytic 2.0655e+1 3.2688e-3 -4.7434e+3 -4.1907e+0 1.2944e+4
 #       -Range:  0-300
 
- 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2  =  PuO2+ +3.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +2.9369
-	-delta_H	53.5009	kJ/mol	# Calculated enthalpy of reaction	PuO2+
+ 1.5 H2O + Pu+4 + 0.25 O2 = PuO2+ + 3 H+
+        -llnl_gamma 4
+        log_k 2.9369
+	-delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+
 #	Enthalpy of formation:	-914.183 kJ/mol
-        -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005
+        -analytic -2.0464e+1 2.8265e-3 1.2131e+3 9.2156e+0 -3.84e+5
 #       -Range:  0-300
 
- 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2  =  PuO2++ +2.0000 H+ 
-        -llnl_gamma           4.5    
-        log_k           +8.1273
-	-delta_H	6.22013	kJ/mol	# Calculated enthalpy of reaction	PuO2+2
+ Pu+4 + H2O + 0.5 O2 = PuO2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k 8.1273
+	-delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2
 #	Enthalpy of formation:	-821.578 kJ/mol
-        -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005
+        -analytic 3.5219e+1 2.5202e-3 -2.476e+2 -1.012e+1 -1.7569e+5
 #       -Range:  0-300
 
- 4.0000 H+ + 1.0000 RuO4--  =  Ru(OH)2++ +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           4.5    
-        log_k           +25.2470
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+2
+ 4 H+ + RuO4-2 = Ru(OH)2+2 + H2O + 0.5 O2
+        -llnl_gamma 4.5
+        log_k 25.247
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           4.5    
-        log_k           +0.1610
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+2
+
+ 4 H+ + RuO4-2 = Ru+2 + 2 H2O + O2
+        -llnl_gamma 4.5
+        log_k 0.161
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 5.0000 H+ + 1.0000 RuO4--  =  Ru+++ +2.5000 H2O +0.7500 O2 
-        -llnl_gamma           5.0    
-        log_k           +17.6149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru+3
+
+ 5 H+ + RuO4-2 = Ru+3 + 2.5 H2O + 0.75 O2
+        -llnl_gamma 5
+        log_k 17.6149
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2  =  RuO4 +1.0000 H2O 
-        -llnl_gamma           3.0    
-        log_k           +16.2672
-	-delta_H	-60.8385	kJ/mol	# Calculated enthalpy of reaction	RuO4
+
+ 2 H+ + RuO4-2 + 0.5 O2 = RuO4 + H2O
+        -llnl_gamma 3
+        log_k 16.2672
+	-delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4
 #	Enthalpy of formation:	-238.142 kJ/mol
-        -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001
+        -analytic 1.9964e+2 6.8286e-2 -1.202e+3 -8.0706e+1 -2.0481e+1
 #       -Range:  0-200
 
- 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2  =  RuO4- +0.5000 H2O 
-        -llnl_gamma           4.0    
-        log_k           +11.6024
-	-delta_H	-16.1998	kJ/mol	# Calculated enthalpy of reaction	RuO4-
+ RuO4-2 + H+ + 0.25 O2 = RuO4- + 0.5 H2O
+        -llnl_gamma 4
+        log_k 11.6024
+	-delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4-
 #	Enthalpy of formation:	-333.389 kJ/mol
-        -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001
+        -analytic -1.9653e+0 8.8623e-3 1.8588e+3 1.8998e+0 2.9005e+1
 #       -Range:  0-300
 
- 2.0000 H+  + 2.0000 SO3--  = S2O4--  + .500 O2  + H2O
-        -llnl_gamma           5.0    
+ 2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
+        -llnl_gamma 5
 #        log_k           -25.2075
-        log_k           -25.2076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O4-2
+        log_k -25.2076
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2
 #	Enthalpy of formation:	-0 kcal/mol
 #        -analytic  -0.15158E+05   -0.31356E+01    0.47072E+06    0.58544E+04    0.73497E+04
-	-analytic	-2.3172e2	2.0393e-3	-7.1011e0	8.3239e1	9.4155e-1
+	-analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1
 #	changed 3/23/04, corrected to supcrt temperature dependence, GMA
 #       -Range:  0-300
 
 # 2.0000 SO3--  + .500 O2  + 2.0000 H+  = S2O6--  + H2O
-#  H2O = .5 O2 + 2H+ + 2e- 
-2SO3-- = S2O6-- + 2e-
-        -llnl_gamma           4.0    
-        log_k           41.8289
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O6-2
+#  H2O = .5 O2 + 2H+ + 2e-
+2 SO3-2 = S2O6-2 + 2 e-
+        -llnl_gamma 4
+        log_k 41.8289
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.14458E+03    0.61449E-01    0.71877E+04   -0.58657E+02    0.11211E+03
+        -analytic 0.14458E+3 0.61449E-1 0.71877E+4 -0.58657E+2 0.11211E+3
 #       -Range:  0-300
-	-add_logk  Log_K_O2	0.5
+	-add_logk Log_K_O2 0.5
 
 
- 2.0000 SO3--  + 1.500 O2  + 2.0000 H+  = S2O8--  + H2O
-        -llnl_gamma           4.0    
-        log_k           70.7489
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O8-2
+ 2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
+        -llnl_gamma 4
+        log_k 70.7489
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.18394E+03    0.60414E-01    0.13864E+05   -0.71804E+02    0.21628E+03
+        -analytic 0.18394E+3 0.60414E-1 0.13864E+5 -0.71804E+2 0.21628E+3
 #       -Range:  0-300
 
-O2 + H+ + 3.0000 HS-  = S3--  + 2.0000 H2O
+O2 + H+ + 3 HS- = S3-2 + 2 H2O
 # 2H2O = O2 + 4H+ + 4e-
 #3HS- = S3-- + 3H+ + 4e-
-        -llnl_gamma           4.0    
-        log_k           79.3915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3-2
+        -llnl_gamma 4
+        log_k 79.3915
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S3-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -0.51626E+02    0.70208E-02    0.31797E+05    0.11927E+02   -0.64249E+06
-	-mass_balance	S(-2)3
+        -analytic -0.51626E+2 0.70208E-2 0.31797E+5 0.11927E+2 -0.64249E+6
+	-mass_balance S(-2)3
 #       -Range:  0-300
 #	-add_logk  Log_K_O2	1.0
 
 # 3.0000 SO3--  + 4.0000 H+  = S3O6-- + .500 O2 + 2.0000 H2O
 # .5 O2 + 2H+ + 2e- = H2O
-3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O
-        -llnl_gamma           4.0    
-        log_k           -6.2316
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S3O6-2
+3 SO3-2 + 6 H+ + 2 e- = S3O6-2 + 3 H2O
+        -llnl_gamma 4
+        log_k -6.2316
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.23664E+03    0.12702E+00   -0.10110E+05   -0.99715E+02   -0.15783E+03
+        -analytic 0.23664E+3 0.12702E+0 -0.1011E+5 -0.99715E+2 -0.15783E+3
 #       -Range:  0-300
-	-add_logk	Log_K_O2	-0.5
+	-add_logk Log_K_O2 -0.5
 
-1.5000 O2 + 2.0000 H+ + 4.0000 HS-  = S4--  + 3.0000 H2O
+1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
 #4 HS- = S4-- + 4H+ + 6e-
-        -llnl_gamma           4.0    
-        log_k           125.2958
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4-2
+        -llnl_gamma 4
+        log_k 125.2958
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S4-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.20875E+03    0.58133E-01    0.33278E+05   -0.85833E+02    0.51921E+03
-	-mass_balance	S(-2)4
+        -analytic 0.20875E+3 0.58133E-1 0.33278E+5 -0.85833E+2 0.51921E+3
+	-mass_balance S(-2)4
 #       -Range:  0-300
 #	-add_logk	Log_K_O2	1.5
 
 # 4.0000 SO3-- + 6.0000 H+  = S4O6-- + 1.500 O2 + 3.0000 H2O
-4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O
-        -llnl_gamma           4.0    
-        log_k           -38.3859
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S4O6-2
+4 SO3-2 + 12 H+ + 6 e- = S4O6-2 + 6 H2O
+        -llnl_gamma 4
+        log_k -38.3859
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.32239E+03    0.19555E+00   -0.23617E+05   -0.13729E+03   -0.36862E+03
+        -analytic 0.32239E+3 0.19555E+0 -0.23617E+5 -0.13729E+3 -0.36862E+3
 #       -Range:  0-300
-	-add_logk	Log_K_O2	-1.5
+	-add_logk Log_K_O2 -1.5
 
-2.0000 O2 + 3.0000 H+  + 5.0000 HS-  = S5--  + 4.0000 H2O
+2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
 #5 HS- = S5-- + 5H+ + 8e-
-        -llnl_gamma           4.0    
-        log_k           170.9802
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5-2
+        -llnl_gamma 4
+        log_k 170.9802
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S5-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.30329E+03    0.88033E-01    0.44739E+05   -0.12471E+03    0.69803E+03
-	-mass_balance	S(-2)5
+        -analytic 0.30329E+3 0.88033E-1 0.44739E+5 -0.12471E+3 0.69803E+3
+	-mass_balance S(-2)5
 #       -Range:  0-300
 #	-add_logk	Log_K_O2	2
 
 # 5.0000 SO3-- + 8.0000 H+  = S5O6-- + 2.5000 O2 + 4.0000 H2O
 # 2.5O2 + 10 H+ + 10e- = 5H2O
-5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O
-        -llnl_gamma           4.0    
-        log_k           -99.4206
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S5O6-2
+5 SO3-2 + 18 H+ + 10 e- = S5O6-2 + 9 H2O
+        -llnl_gamma 4
+        log_k -99.4206
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.42074E+03    0.25833E+00   -0.43878E+05   -0.18178E+03   -0.68480E+03
+        -analytic 0.42074E+3 0.25833E+0 -0.43878E+5 -0.18178E+3 -0.6848E+3
 #       -Range:  0-300
-	-add_logk	Log_K_O2	-2.5
+	-add_logk Log_K_O2 -2.5
 
 # 1.0000 H+  + HCO3-  + HS-  + NH3 = SCN-  + 3.0000 H2O
-#        -llnl_gamma           3.5    
+#        -llnl_gamma           3.5
 #        log_k            3.0070
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SCN-
 ##	Enthalpy of formation:	-0 kcal/mol
@@ -1339,17541 +1343,17541 @@ O2 + H+ + 3.0000 HS-  = S3--  + 2.0000 H2O
 ##       -Range:  0-300
 
 Thiocyanate- = Thiocyanate-
-	log_k  0.0
+	log_k 0
 
- 1.0000 SO4--  =  SO3-- +0.5000 O2   
-        -llnl_gamma           4.5    
-        log_k           -46.6244
-	-delta_H	267.985	kJ/mol	# Calculated enthalpy of reaction	SO3-2
+ SO4-2 = SO3-2 + 0.5 O2
+        -llnl_gamma 4.5
+        log_k -46.6244
+	-delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2
 #	Enthalpy of formation:	-151.9 kcal/mol
-        -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002
+        -analytic -1.3771e+1 6.5102e-4 -1.333e+4 4.7164e+0 -2.08e+2
 #       -Range:  0-300
 
-1.0000 HSe- =  Se-- + 1.0000 H+    
-        -llnl_gamma        4.0      
-        log_k           -14.9534
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Se-2
+HSe- = Se-2 + H+
+        -llnl_gamma 4
+        log_k -14.9534
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Se-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.0244e+002    3.1346e-002   -5.4190e+003   -4.3871e+001   -8.4589e+001
+        -analytic 1.0244e+2 3.1346e-2 -5.419e+3 -4.3871e+1 -8.4589e+1
 #       -Range:  0-300
 
- 1.0000 SeO3-- + 0.5000 O2  =  SeO4--   
-        -llnl_gamma           4.0    
-        log_k           +13.9836
-	-delta_H	-83.8892	kJ/mol	# Calculated enthalpy of reaction	SeO4-2
+ SeO3-2 + 0.5 O2 = SeO4-2
+        -llnl_gamma 4
+        log_k 13.9836
+	-delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2
 #	Enthalpy of formation:	-143.2 kcal/mol
-        -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005
+        -analytic -7.2314e+1 -1.3657e-2 8.6969e+3 2.6182e+1 -3.1897e+5
 #       -Range:  0-300
 
- 1.0000 Sm+++ + 0.5000 H2O  =  Sm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -47.9624
-	-delta_H	326.911	kJ/mol	# Calculated enthalpy of reaction	Sm+2
+ Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -47.9624
+	-delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2
 #	Enthalpy of formation:	-120.5 kcal/mol
-        -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004
+        -analytic -1.0217e+1 7.7548e-3 -1.6285e+4 5.4711e+0 9.1931e+4
 #       -Range:  0-300
 
- 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2  =  Sn++++ +1.0000 H2O 
-        -llnl_gamma          11.0    
-        log_k           +37.7020
-	-delta_H	-240.739	kJ/mol	# Calculated enthalpy of reaction	Sn+4
+ 2 H+ + Sn+2 + 0.5 O2 = Sn+4 + H2O
+        -llnl_gamma 11
+        log_k 37.702
+	-delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4
 #	Enthalpy of formation:	7.229 kcal/mol
-        -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002
+        -analytic 3.2053e+1 -9.2307e-3 1.0378e+4 -1.0666e+1 1.6193e+2
 #       -Range:  0-300
 
- 1.0000 Tb+++ + 0.5000 H2O  =  Tb++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -78.7754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb+2
+ Tb+3 + 0.5 H2O = Tb+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -78.7754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 4.0000 H+ + 1.0000 TcO4-  =  Tc+++ +2.0000 H2O +1.0000 O2 
-        -llnl_gamma           5.0    
-        log_k           -47.614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc+3
+
+ 4 H+ + TcO4- = Tc+3 + 2 H2O + O2
+        -llnl_gamma 5
+        log_k -47.614
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 3.0000 H+ + 1.0000 TcO4-  =  TcO++ +1.5000 H2O +0.7500 O2 
-        -llnl_gamma           4.5    
-        log_k           -31.5059
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO+2
+
+ 3 H+ + TcO4- = TcO+2 + 1.5 H2O + 0.75 O2
+        -llnl_gamma 4.5
+        log_k -31.5059
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 TcO4- + 0.5000 H2O  =  TcO4-- +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -31.8197
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-2
+
+ TcO4- + 0.5 H2O = TcO4-2 + H+ + 0.25 O2
+        -llnl_gamma 4
+        log_k -31.8197
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 TcO4- + 1.0000 H2O  =  TcO4--- +2.0000 H+ +0.5000 O2 
-        -llnl_gamma           4.0    
-        log_k           -63.2889
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO4-3
+
+ TcO4- + H2O = TcO4-3 + 2 H+ + 0.5 O2
+        -llnl_gamma 4
+        log_k -63.2889
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2  =  Tl+++ +1.0000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -0.2751
-	-delta_H	-88.479	kJ/mol	# Calculated enthalpy of reaction	Tl+3
+
+ 2 H+ + Tl+ + 0.5 O2 = Tl+3 + H2O
+        -llnl_gamma 5
+        log_k -0.2751
+	-delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3
 #	Enthalpy of formation:	47 kcal/mol
-        -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001
+        -analytic -6.7978e+1 -2.643e-2 5.3106e+3 2.334e+1 8.2887e+1
 #       -Range:  0-300
 
- 1.0000 Tm+++ + 0.5000 H2O  =  Tm++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -58.3754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm+2
+ Tm+3 + 0.5 H2O = Tm+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -58.3754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 1.0000 UO2++ + 1.0000 H+  =  U+++ +0.7500 O2 +0.5000 H2O 
-        -llnl_gamma           5.0    
-        log_k           -64.8028
-	-delta_H	377.881	kJ/mol	# Calculated enthalpy of reaction	U+3
+
+ UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O
+        -llnl_gamma 5
+        log_k -64.8028
+	-delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3
 #	Enthalpy of formation:	-489.1 kJ/mol
-        -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005
+        -analytic 2.5133e+1 6.4088e-3 -2.2542e+4 -8.1423e+0 3.4793e+5
 #       -Range:  0-300
 
- 2.0000 H+ + 1.0000 UO2++  =  U++++ +1.0000 H2O +0.5000 O2 
-        -llnl_gamma           5.5    
-        log_k           -33.9491
-	-delta_H	135.895	kJ/mol	# Calculated enthalpy of reaction	U+4
+ 2 H+ + UO2+2 = U+4 + H2O + 0.5 O2
+        -llnl_gamma 5.5
+        log_k -33.9491
+	-delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4
 #	Enthalpy of formation:	-591.2 kJ/mol
-        -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005
+        -analytic 4.4837e+1 1.0129e-2 -1.1787e+4 -1.9194e+1 4.6436e+5
 #       -Range:  0-300
 
- 1.0000 UO2++ + 0.5000 H2O  =  UO2+ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.0    
-        log_k           -20.0169
-	-delta_H	133.759	kJ/mol	# Calculated enthalpy of reaction	UO2+
+ UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2
+        -llnl_gamma 4
+        log_k -20.0169
+	-delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+
 #	Enthalpy of formation:	-1025.13 kJ/mol
-        -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002
+        -analytic 8.048e+0 9.5845e-3 -6.5994e+3 -3.5515e+0 -1.0298e+2
 #       -Range:  0-300
 
- 1.0000 VO++ + 1.0000 H+  =  V+++ +0.5000 H2O +0.2500 O2 
-        -llnl_gamma           5.0    
-        log_k           -15.7191
-	-delta_H	79.6069	kJ/mol	# Calculated enthalpy of reaction	V+3
+ VO+2 + H+ = V+3 + 0.5 H2O + 0.25 O2
+        -llnl_gamma 5
+        log_k -15.7191
+	-delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3
 #	Enthalpy of formation:	-62.39 kcal/mol
-        -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001
+        -analytic 1.6167e+1 1.1963e-2 -4.2112e+3 -8.6126e+0 -6.5717e+1
 #       -Range:  0-300
 
- 1.0000 VO++ + 0.5000 H2O + 0.2500 O2  =  VO2+ +1.0000 H+ 
-        -llnl_gamma           4.0    
-        log_k           +4.5774
-	-delta_H	-17.2234	kJ/mol	# Calculated enthalpy of reaction	VO2+
+ VO+2 + 0.5 H2O + 0.25 O2 = VO2+ + H+
+        -llnl_gamma 4
+        log_k 4.5774
+	-delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+
 #	Enthalpy of formation:	-155.3 kcal/mol
-        -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001
+        -analytic 1.9732e+0 5.3936e-3 1.224e+3 -1.2539e+0 1.9098e+1
 #       -Range:  0-300
 
- 1.0000 VO2+ + 2.0000 H2O =  VO4--- +4.0000 H+  
-        -llnl_gamma        4.0      
-        log_k            -28.4475
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO4-3
+ VO2+ + 2 H2O = VO4-3 + 4 H+
+        -llnl_gamma 4
+        log_k -28.4475
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3
 #	Enthalpy of formation:	-0 kcal/mol
 
- 1.0000 Yb+++ + 0.5000 H2O  =  Yb++ +1.0000 H+ +0.2500 O2 
-        -llnl_gamma           4.5    
-        log_k           -39.4595
-	-delta_H	280.05	kJ/mol	# Calculated enthalpy of reaction	Yb+2
+ Yb+3 + 0.5 H2O = Yb+2 + H+ + 0.25 O2
+        -llnl_gamma 4.5
+        log_k -39.4595
+	-delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2
 #	Enthalpy of formation:	-126.8 kcal/mol
-        -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004
+        -analytic 1.0773e+0 9.5995e-3 -1.3833e+4 1.0723e+0 3.1365e+4
 #       -Range:  0-300
 
- 2.0000 H+ + 1.0000 Zr(OH)2++  =  Zr++++ +2.0000 H2O  
-        -llnl_gamma          11.0    
-        log_k           +0.2385
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr+4
+ 2 H+ + Zr(OH)2+2 = Zr+4 + 2 H2O
+        -llnl_gamma 11
+        log_k 0.2385
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4
 #	Enthalpy of formation:	-0 kcal/mol
 
-4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3  =  (NH4)2Sb2S4 +6.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +67.6490
-	-delta_H	-424.665	kJ/mol	# Calculated enthalpy of reaction	(NH4)2Sb2S4
+4 HS- + 4 H+ + 2 Sb(OH)3 + 2 NH3 = (NH4)2Sb2S4 + 6 H2O
+        -llnl_gamma 3
+        log_k 67.649
+	-delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4
 #	Enthalpy of formation:	-484.321 kJ/mol
-        -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002
+        -analytic -3.9259e+2 -1.1727e-1 3.2073e+4 1.5667e+2 5.4478e+2
 #       -Range:  0-200
 
-2.0000 NpO2++ + 2.0000 H2O  =  (NpO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.4
-	-delta_H	45.4397	kJ/mol	# Calculated enthalpy of reaction	(NpO2)2(OH)2+2
+2 NpO2+2 + 2 H2O = (NpO2)2(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -6.4
+	-delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2
 #	Enthalpy of formation:	-537.092 kcal/mol
-        -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001
+        -analytic -4.7462e+1 -3.1413e-2 -2.1954e+3 2.3355e+1 -3.7424e+1
 #       -Range: 25-150
 
-5.0000 H2O + 3.0000 NpO2++  =  (NpO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.5
-	-delta_H	112.322	kJ/mol	# Calculated enthalpy of reaction	(NpO2)3(OH)5+
+5 H2O + 3 NpO2+2 = (NpO2)3(OH)5+ + 5 H+
+        -llnl_gamma 4
+        log_k -17.5
+	-delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+
 #	Enthalpy of formation:	-931.717 kcal/mol
-        -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002
+        -analytic 5.4053e+2 9.1693e-2 -2.4404e+4 -2.0349e+2 -4.1639e+2
 #       -Range: 25-150
 
-2.0000 PuO2++ + 2.0000 H2O  =  (PuO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.2626
-	-delta_H	57.8597	kJ/mol	# Calculated enthalpy of reaction	(PuO2)2(OH)2+2
+2 PuO2+2 + 2 H2O = (PuO2)2(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -8.2626
+	-delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2
 #	Enthalpy of formation:	-2156.97 kJ/mol
-        -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001
+        -analytic 6.5448e+1 -1.6194e-3 -5.9542e+3 -2.1522e+1 -9.2929e+1
 #       -Range:  0-300
 
-5.0000 H2O + 3.0000 PuO2++  =  (PuO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.655
-	-delta_H	139.617	kJ/mol	# Calculated enthalpy of reaction	(PuO2)3(OH)5+
+5 H2O + 3 PuO2+2 = (PuO2)3(OH)5+ + 5 H+
+        -llnl_gamma 4
+        log_k -21.655
+	-delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+
 #	Enthalpy of formation:	-3754.31 kJ/mol
-        -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002
+        -analytic 1.6151e+2 5.8182e-3 -1.4002e+4 -5.5745e+1 -2.1854e+2
 #       -Range:  0-300
 
-4.0000 H2O + 2.0000 TcO++  =  (TcO(OH)2)2 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(TcO(OH)2)2
+4 H2O + 2 TcO+2 = (TcO(OH)2)2 + 4 H+
+        -llnl_gamma 3
+        log_k -0.1271
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3-  =  (UO2)11(CO3)6(OH)12-2 +18.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -25.7347
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)11(CO3)6(OH)12-2
+
+12 H2O + 11 UO2+2 + 6 HCO3- = (UO2)11(CO3)6(OH)12-2 + 18 H+
+        -llnl_gamma 4
+        log_k -25.7347
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 UO2++ + 2.0000 H2O  =  (UO2)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -5.6346
-	-delta_H	37.6127	kJ/mol	# Calculated enthalpy of reaction	(UO2)2(OH)2+2
+
+2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -5.6346
+	-delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2
 #	Enthalpy of formation:	-2572.06 kJ/mol
-        -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001
+        -analytic 6.4509e+1 -7.6875e-4 -4.8433e+3 -2.1689e+1 -7.5593e+1
 #       -Range:  0-300
 
-3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3-  =  (UO2)2CO3(OH)3- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.2229
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2CO3(OH)3-
+3 H2O + 2 UO2+2 + HCO3- = (UO2)2CO3(OH)3- + 4 H+
+        -llnl_gamma 4
+        log_k -11.2229
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 UO2++ + 1.0000 H2O  =  (UO2)2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -2.7072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)2OH+3
+
+2 UO2+2 + H2O = (UO2)2OH+3 + H+
+        -llnl_gamma 5
+        log_k -2.7072
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 HCO3- + 3.0000 UO2++  =  (UO2)3(CO3)6-6 +6.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.0601
-	-delta_H	25.5204	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(CO3)6-6
+
+6 HCO3- + 3 UO2+2 = (UO2)3(CO3)6-6 + 6 H+
+        -llnl_gamma 4
+        log_k -8.0601
+	-delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6
 #	Enthalpy of formation:	-7171.08 kJ/mol
-        -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002
+        -analytic 7.4044e+2 2.7299e-1 -1.7614e+4 -3.1149e+2 -2.7507e+2
 #       -Range:  0-300
 
-4.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)4++ +4.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -11.929
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)4+2
+4 H2O + 3 UO2+2 = (UO2)3(OH)4+2 + 4 H+
+        -llnl_gamma 4.5
+        log_k -11.929
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)5+ +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.5862
-	-delta_H	97.1056	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(OH)5+
+
+5 H2O + 3 UO2+2 = (UO2)3(OH)5+ + 5 H+
+        -llnl_gamma 4
+        log_k -15.5862
+	-delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+
 #	Enthalpy of formation:	-4389.09 kJ/mol
-        -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002
+        -analytic 1.6004e+2 7.0827e-3 -1.17e+4 -5.5973e+1 -1.8261e+2
 #       -Range:  0-300
 
-4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3-  =  (UO2)3(OH)5CO2+ +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.6194
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)5CO2+
+4 H2O + 3 UO2+2 + HCO3- = (UO2)3(OH)5CO2+ + 4 H+
+        -llnl_gamma 4
+        log_k -9.6194
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-7.0000 H2O + 3.0000 UO2++  =  (UO2)3(OH)7- +7.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31.0508
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3(OH)7-
+
+7 H2O + 3 UO2+2 = (UO2)3(OH)7- + 7 H+
+        -llnl_gamma 4
+        log_k -31.0508
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3-  =  (UO2)3O(OH)2(HCO3)+ +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)3O(OH)2(HCO3)+
+
+3 UO2+2 + 3 H2O + HCO3- = (UO2)3O(OH)2(HCO3)+ + 4 H+
+        -llnl_gamma 4
+        log_k -9.7129
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-7.0000 H2O + 4.0000 UO2++  =  (UO2)4(OH)7+ +7.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.9508
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(UO2)4(OH)7+
+
+7 H2O + 4 UO2+2 = (UO2)4(OH)7+ + 7 H+
+        -llnl_gamma 4
+        log_k -21.9508
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 VO++ + 2.0000 H2O  =  (VO)2(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)2(OH)2+2
+
+2 VO+2 + 2 H2O = (VO)2(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -6.67
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-HAcetate =  Acetate- + H+ 
-         -llnl_gamma         4.5         
-         log_k        -4.7572
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Acetate-
+
+HAcetate = Acetate- + H+
+         -llnl_gamma 4.5
+         log_k -4.7572
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Acetate-
 #	Enthalpy of formation:	-0 kcal/mol
-         -analytic    -0.96597E+02   -0.34535E-01    0.19753E+04    0.38593E+02    0.30850E+02
+         -analytic -0.96597E+2 -0.34535E-1 0.19753E+4 0.38593E+2 0.3085E+2
 #        Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ag+  =  Ag(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.8716
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag(Acetate)2-
+2 HAcetate + Ag+ = Ag(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.8716
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2-
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002
+        -analytic -2.8207e+2 -5.3713e-2 9.5343e+3 1.0396e+2 1.4886e+2
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Ag+  =  Ag(CO3)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.5062
-	-delta_H	1.34306	kJ/mol	# Calculated enthalpy of reaction	Ag(CO3)2-3
+2 HCO3- + Ag+ = Ag(CO3)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -18.5062
+	-delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3
 #	Enthalpy of formation:	-304.2 kcal/mol
-        -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001
+        -analytic -1.6671e+2 -4.5571e-2 3.719e+3 6.0341e+1 5.808e+1
 #       -Range:  0-300
 
-1.0000 Ag+ + 1.0000 HAcetate  =  AgAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.0264
-	-delta_H	-3.4518	kJ/mol	# Calculated enthalpy of reaction	AgAcetate
+Ag+ + HAcetate = AgAcetate + H+
+        -llnl_gamma 3
+        log_k -4.0264
+	-delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate
 #	Enthalpy of formation:	-91.65 kcal/mol
-        -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005
+        -analytic 6.9069e+0 -1.9415e-3 -1.9953e+3 -2.6175e+0 2.5092e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Ag+  =  AgCO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.6416
-	-delta_H	-8.27177	kJ/mol	# Calculated enthalpy of reaction	AgCO3-
+HCO3- + Ag+ = AgCO3- + H+
+        -llnl_gamma 4
+        log_k -7.6416
+	-delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3-
 #	Enthalpy of formation:	-141.6 kcal/mol
-        -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000
+        -analytic 6.5598e+0 -1.6477e-4 -4.7079e+2 -5.0807e+0 -7.3484e+0
 #       -Range:  0-300
 
-1.0000 Cl- + 1.0000 Ag+  =  AgCl
-        -llnl_gamma           3.0    
-        log_k           +3.2971
-	-delta_H	-15.1126	kJ/mol	# Calculated enthalpy of reaction	AgCl
+Cl- + Ag+ = AgCl
+        -llnl_gamma 3
+        log_k 3.2971
+	-delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl
 #	Enthalpy of formation:	-18.27 kcal/mol
-        -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001
+        -analytic 1.0904e+2 3.5492e-2 -1.8455e+3 -4.4502e+1 -2.883e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Ag+  =  AgCl2-
-        -llnl_gamma           4.0    
-        log_k           +5.2989
-	-delta_H	-27.3592	kJ/mol	# Calculated enthalpy of reaction	AgCl2-
+2 Cl- + Ag+ = AgCl2-
+        -llnl_gamma 4
+        log_k 5.2989
+	-delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2-
 #	Enthalpy of formation:	-61.13 kcal/mol
-        -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000
+        -analytic 9.2164e+1 4.0261e-2 -1.6597e+2 -3.9721e+1 -2.6171e+0
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Ag+  =  AgCl3--
-        -llnl_gamma           4.0    
-        log_k           +5.1310
-	-delta_H	-47.7645	kJ/mol	# Calculated enthalpy of reaction	AgCl3-2
+3 Cl- + Ag+ = AgCl3-2
+        -llnl_gamma 4
+        log_k 5.131
+	-delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2
 #	Enthalpy of formation:	-105.94 kcal/mol
-        -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001
+        -analytic 4.3732e+0 2.9568e-2 3.9818e+3 -8.6428e+0 6.2131e+1
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Ag+  =  AgCl4---
-        -llnl_gamma           4.0    
-        log_k           +3.8050
-	-delta_H	-32.4804	kJ/mol	# Calculated enthalpy of reaction	AgCl4-3
+4 Cl- + Ag+ = AgCl4-3
+        -llnl_gamma 4
+        log_k 3.805
+	-delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3
 #	Enthalpy of formation:	-142.22 kcal/mol
-        -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005
+        -analytic -1.6176e+1 2.9523e-2 0e+0 0e+0 9.9602e+5
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Ag+  =  AgF
-        -llnl_gamma           3.0    
-        log_k           -0.1668
-	-delta_H	-9.298	kJ/mol	# Calculated enthalpy of reaction	AgF
+F- + Ag+ = AgF
+        -llnl_gamma 3
+        log_k -0.1668
+	-delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF
 #	Enthalpy of formation:	-238.895 kJ/mol
-        -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001
+        -analytic -6.6024e+1 -2.235e-2 1.9514e+3 2.6663e+1 3.316e+1
 #       -Range:  0-200
 
-1.0000 NO3- + 1.0000 Ag+  =  AgNO3
-        -llnl_gamma           3.0    
-        log_k           -0.1979
-	-delta_H	4.45178	kJ/mol	# Calculated enthalpy of reaction	AgNO3
+NO3- + Ag+ = AgNO3
+        -llnl_gamma 3
+        log_k -0.1979
+	-delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3
 #	Enthalpy of formation:	-23.09 kcal/mol
-        -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001
+        -analytic 7.3866e+1 2.605e-2 -1.5923e+3 -3.0904e+1 -2.4868e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Al+++  =  Al(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.595
-	-delta_H	-46.8566	kJ/mol	# Calculated enthalpy of reaction	Al(Acetate)2+
+2 HAcetate + Al+3 = Al(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -5.595
+	-delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+
 #	Enthalpy of formation:	-372.08 kcal/mol
-        -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005
+        -analytic -4.2528e+1 2.1431e-3 3.1658e+2 1.1585e+1 5.8604e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Al+++  =  Al(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.5945
-	-delta_H	98.2822	kJ/mol	# Calculated enthalpy of reaction	Al(OH)2+
+2 H2O + Al+3 = Al(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -10.5945
+	-delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+
 #	Enthalpy of formation:	-241.825 kcal/mol
-        -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001
+        -analytic 4.4036e+1 2.0168e-2 -5.5455e+3 -1.6987e+1 -8.6545e+1
 #       -Range:  0-300
 
-2.0000 SO4-- + 1.0000 Al+++  =  Al(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al(SO4)2-
+2 SO4-2 + Al+3 = Al(SO4)2-
+        -llnl_gamma 4
+        log_k 4.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-28.0000 H2O + 13.0000 Al+++  =  Al13O4(OH)24+7 +32.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -98.73
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al13O4(OH)24+7
+
+28 H2O + 13 Al+3 = Al13O4(OH)24+7 + 32 H+
+        -llnl_gamma 6
+        log_k -98.73
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Al+++  =  Al2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -7.6902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al2(OH)2+4
+
+2 H2O + 2 Al+3 = Al2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -7.6902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Al+++  =  Al3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -13.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Al3(OH)4+5
+
+4 H2O + 3 Al+3 = Al3(OH)4+5 + 4 H+
+        -llnl_gamma 6
+        log_k -13.8803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Al+++ + 1.0000 HAcetate  =  AlAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.6923
-	-delta_H	-18.1962	kJ/mol	# Calculated enthalpy of reaction	AlAcetate+2
+
+Al+3 + HAcetate = AlAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.6923
+	-delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2
 #	Enthalpy of formation:	-249.13 kcal/mol
-        -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005
+        -analytic -1.9847e+1 2.0058e-3 -2.3653e+2 5.5454e+0 3.2362e+5
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Al+++  =  AlF++
-        -llnl_gamma           4.5    
-        log_k           +7.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF+2
+F- + Al+3 = AlF+2
+        -llnl_gamma 4.5
+        log_k 7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Al+++  =  AlF2+
-        -llnl_gamma           4.0    
-        log_k           +12.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF2+
+
+2 F- + Al+3 = AlF2+
+        -llnl_gamma 4
+        log_k 12.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Al+++  =  AlF3
-        -llnl_gamma           3.0    
-        log_k           +16.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF3
+
+3 F- + Al+3 = AlF3
+        -llnl_gamma 3
+        log_k 16.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlF3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Al+++  =  AlF4-
-        -llnl_gamma           4.0    
-        log_k           +19.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlF4-
+
+4 F- + Al+3 = AlF4-
+        -llnl_gamma 4
+        log_k 19.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlF4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++  =  AlH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +3.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlH2PO4+2
+
+HPO4-2 + H+ + Al+3 = AlH2PO4+2
+        -llnl_gamma 4.5
+        log_k 3.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Al+++  =  AlHPO4+
-        -llnl_gamma           4.0    
-        log_k           +7.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlHPO4+
+
+HPO4-2 + Al+3 = AlHPO4+
+        -llnl_gamma 4
+        log_k 7.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Al+++  =  AlO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.8833
-	-delta_H	180.899	kJ/mol	# Calculated enthalpy of reaction	AlO2-
+
+2 H2O + Al+3 = AlO2- + 4 H+
+        -llnl_gamma 4
+        log_k -22.8833
+	-delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2-
 #	Enthalpy of formation:	-222.079 kcal/mol
-        -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000
+        -analytic 1.0803e+1 -3.4379e-3 -9.7391e+3 0e+0 0e+0
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Al+++  =  AlOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -4.9571
-	-delta_H	49.798	kJ/mol	# Calculated enthalpy of reaction	AlOH+2
+H2O + Al+3 = AlOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -4.9571
+	-delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2
 #	Enthalpy of formation:	-185.096 kcal/mol
-        -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001
+        -analytic -2.6224e-1 8.8816e-3 -1.8686e+3 -4.3195e-1 -2.9158e+1
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 Al+++  =  AlSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.0100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AlSO4+
+SO4-2 + Al+3 = AlSO4+
+        -llnl_gamma 4
+        log_k 3.01
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.3868
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)2-
+
+2 HCO3- + Am+3 = Am(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.3868
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 Am+++  =  Am(CO3)3--- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.8302
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)3-3
+
+3 HCO3- + Am+3 = Am(CO3)3-3 + 3 H+
+        -llnl_gamma 4
+        log_k -15.8302
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 Am++++  =  Am(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(CO3)5-6
+
+5 HCO3- + Am+4 = Am(CO3)5-6 + 5 H+
+        -llnl_gamma 4
+        log_k -12.409
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Am+++  =  Am(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -14.1145
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)2+
+
+2 H2O + Am+3 = Am(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -14.1145
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Am+++  =  Am(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.7218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
+
+3 H2O + Am+3 = Am(OH)3 + 3 H+
+        -llnl_gamma 3
+        log_k -25.7218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Am+++  =  Am(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2407
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(SO4)2-
+
+2 SO4-2 + Am+3 = Am(SO4)2-
+        -llnl_gamma 4
+        log_k 5.2407
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Am+++  =  AmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.5434
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCO3+
+
+HCO3- + Am+3 = AmCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.5434
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cl- + 1.0000 Am+++  =  AmCl++
-        -llnl_gamma           4.5    
-        log_k           +1.0374
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmCl+2
+
+Cl- + Am+3 = AmCl+2
+        -llnl_gamma 4.5
+        log_k 1.0374
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 F- + 1.0000 Am+++  =  AmF++
-        -llnl_gamma           4.5    
-        log_k           +3.3601
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF+2
+
+F- + Am+3 = AmF+2
+        -llnl_gamma 4.5
+        log_k 3.3601
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Am+++  =  AmF2+
-        -llnl_gamma           4.0    
-        log_k           +5.7204
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmF2+
+
+2 F- + Am+3 = AmF2+
+        -llnl_gamma 4
+        log_k 5.7204
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++  =  AmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +11.4119
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmH2PO4+2
+
+HPO4-2 + H+ + Am+3 = AmH2PO4+2
+        -llnl_gamma 4.5
+        log_k 11.4119
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 N3- + 1.0000 Am+++  =  AmN3++
-        -llnl_gamma           4.5    
-        log_k           +1.6699
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmN3+2
+
+N3- + Am+3 = AmN3+2
+        -llnl_gamma 4.5
+        log_k 1.6699
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Am+++  =  AmNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.3104
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmNO3+2
+
+NO3- + Am+3 = AmNO3+2
+        -llnl_gamma 4.5
+        log_k 1.3104
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Am+++  =  AmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -6.4072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOH+2
+
+H2O + Am+3 = AmOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -6.4072
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Am+++  =  AmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.7703
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmSO4+
+
+SO4-2 + Am+3 = AmSO4+
+        -llnl_gamma 4
+        log_k 3.7703
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO3- + 1.0000 H+  =  As(OH)3
-        -llnl_gamma           3.0    
-        log_k           +9.2048
-	-delta_H	-27.4054	kJ/mol	# Calculated enthalpy of reaction	As(OH)3
+
+H2AsO3- + H+ = As(OH)3
+        -llnl_gamma 3
+        log_k 9.2048
+	-delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3
 #	Enthalpy of formation:	-742.2 kJ/mol
-        -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001
+        -analytic 1.302e+2 4.7513e-2 -1.1999e+3 -5.2993e+1 -2.0422e+1
 #       -Range:  0-200
 
-1.0000 H2AsO3- = AsO2- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k            0.0111 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO2-
+H2AsO3- = AsO2- + H2O
+        -llnl_gamma 4
+        log_k 0.0111
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AsO2-
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.1509e+001   -1.7680e-002   -1.9261e+001    1.0841e+001   -2.9404e-001
+        -analytic -2.1509e+1 -1.768e-2 -1.9261e+1 1.0841e+1 -2.9404e-1
 #       -Range:  0-300
 
-1.0000 H2AsO3-  =  AsO2OH-- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.0171
-	-delta_H	25.514	kJ/mol	# Calculated enthalpy of reaction	AsO2OH-2
+H2AsO3- = AsO2OH-2 + H+
+        -llnl_gamma 4
+        log_k -11.0171
+	-delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2
 #	Enthalpy of formation:	-164.742 kcal/mol
-        -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002
+        -analytic 1.4309e+2 1.862e-2 -6.8596e+3 -5.5222e+1 -1.0708e+2
 #       -Range:  0-300
 
-1.0000 H2AsO4- + 1.0000 F-  =  AsO3F-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +40.2451
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AsO3F-2
+H2AsO4- + F- = AsO3F-2 + H2O
+        -llnl_gamma 4
+        log_k 40.2451
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO4-  =  AsO4--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.3604
-	-delta_H	21.4198	kJ/mol	# Calculated enthalpy of reaction	AsO4-3
+
+H2AsO4- = AsO4-3 + 2 H+
+        -llnl_gamma 4
+        log_k -18.3604
+	-delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3
 #	Enthalpy of formation:	-888.14 kJ/mol
-        -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005
+        -analytic -2.4979e+1 -1.2761e-2 2.8369e+3 3.4878e+0 -6.8736e+5
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Au+  =  Au(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.0013
-	-delta_H	-8.91192	kJ/mol	# Calculated enthalpy of reaction	Au(Acetate)2-
+2 HAcetate + Au+ = Au(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.0013
+	-delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2-
 #	Enthalpy of formation:	-186.75 kcal/mol
-        -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002
+        -analytic -2.2338e+2 -4.6312e-2 7.0942e+3 8.2606e+1 1.1076e+2
 #       -Range:  0-300
 
-1.0000 Au+ + 1.0000 HAcetate  =  AuAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.3174
-	-delta_H	0.87864	kJ/mol	# Calculated enthalpy of reaction	AuAcetate
+Au+ + HAcetate = AuAcetate + H+
+        -llnl_gamma 3
+        log_k -4.3174
+	-delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate
 #	Enthalpy of formation:	-68.31 kcal/mol
-        -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005
+        -analytic -1.1812e+0 -4.112e-3 -1.4752e+3 4.5665e-1 1.7019e+5
 #       -Range:  0-300
 
-2.0000 B(OH)3  =  B2O(OH)5- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.6851
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	B2O(OH)5-
+2 B(OH)3 = B2O(OH)5- + H+
+        -llnl_gamma 4
+        log_k -18.6851
+	-delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3  =  BF2(OH)2- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +6.6174
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BF2(OH)2-
+
+2 F- + H+ + B(OH)3 = BF2(OH)2- + H2O
+        -llnl_gamma 4
+        log_k 6.6174
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3  =  BF3OH- +2.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +13.1908
-	-delta_H	-178.577	kJ/mol	# Calculated enthalpy of reaction	BF3OH-
+
+3 F- + 2 H+ + B(OH)3 = BF3OH- + 2 H2O
+        -llnl_gamma 4
+        log_k 13.1908
+	-delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH-
 #	Enthalpy of formation:	-403.317 kcal/mol
-        -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002
+        -analytic 3.3411e+2 -3.7303e-2 -8.6507e+3 -1.1345e+2 -1.3508e+2
 #       -Range:  0-300
 
-4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3  =  BF4- +3.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +18.0049
-	-delta_H	-16.4473	kJ/mol	# Calculated enthalpy of reaction	BF4-
+4 F- + 3 H+ + B(OH)3 = BF4- + 3 H2O
+        -llnl_gamma 4
+        log_k 18.0049
+	-delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4-
 #	Enthalpy of formation:	-376.4 kcal/mol
-        -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001
+        -analytic 2.5491e+2 1.0443e-1 -3.3332e+3 -1.0378e+2 -5.2087e+1
 #       -Range:  0-300
 
-1.0000 B(OH)3  =  BO2- +1.0000 H+ +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -9.2449
-	-delta_H	16.3302	kJ/mol	# Calculated enthalpy of reaction	BO2-
+B(OH)3 = BO2- + H+ + H2O
+        -llnl_gamma 4
+        log_k -9.2449
+	-delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2-
 #	Enthalpy of formation:	-184.6 kcal/mol
-        -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001
+        -analytic -1.05e+2 -3.3447e-2 1.4706e+3 4.0724e+1 2.2978e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ba++  =  Ba(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.0118
-	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Ba(Acetate)2
+2 HAcetate + Ba+2 = Ba(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -8.0118
+	-delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2
 #	Enthalpy of formation:	-358.01 kcal/mol
-        -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005
+        -analytic -1.4566e+1 3.1394e-4 -3.9564e+3 5.1906e+0 6.1407e+5
 #       -Range:  0-300
 
-1.0000 O_phthalate-2 + 1.0000 Ba++  =  Ba(O_phthalate)
-        -llnl_gamma           3.0    
-        log_k           +2.3300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ba(O_phthalate)
+O_phthalate-2 + Ba+2 = Ba(O_phthalate)
+        -llnl_gamma 3
+        log_k 2.33
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate)
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3  =  BaB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.8012
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
+
+H2O + Ba+2 + B(OH)3 = BaB(OH)4+ + H+
+        -llnl_gamma 4
+        log_k -7.8012
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ba++ + 1.0000 HAcetate  =  BaAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7677
-	-delta_H	7.322	kJ/mol	# Calculated enthalpy of reaction	BaAcetate+
+
+Ba+2 + HAcetate = BaAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.7677
+	-delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+
 #	Enthalpy of formation:	-242.85 kcal/mol
-        -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005
+        -analytic -1.5623e+1 2.9282e-3 -3.9534e+2 4.3959e+0 1.2829e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Ba++  =  BaCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.6834
-	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
+HCO3- + Ba+2 = BaCO3 + H+
+        -llnl_gamma 3
+        log_k -7.6834
+	-delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3
 #	Enthalpy of formation:	-285.85 kcal/mol
-        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
+        -analytic 2.1878e+2 5.2368e-2 -8.2472e+3 -8.6644e+1 -1.2875e+2
 #       -Range:  0-300
 
-1.0000 Cl- + 1.0000 Ba++  =  BaCl+
-        -llnl_gamma           4.0    
-        log_k           -0.4977
-	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
+Cl- + Ba+2 = BaCl+
+        -llnl_gamma 4
+        log_k -0.4977
+	-delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+
 #	Enthalpy of formation:	-165.77 kcal/mol
-        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
+        -analytic 1.1016e+2 4.2325e-2 -2.8039e+3 -4.601e+1 -4.3785e+1
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Ba++  =  BaF+
-        -llnl_gamma           4.0    
-        log_k           -0.1833
-	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
+F- + Ba+2 = BaF+
+        -llnl_gamma 4
+        log_k -0.1833
+	-delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+
 #	Enthalpy of formation:	-206.51 kcal/mol
-        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
+        -analytic 1.0349e+2 4.0336e-2 -2.5195e+3 -4.3334e+1 -3.9346e+1
 #       -Range:  0-300
 
-1.0000 NO3- + 1.0000 Ba++  =  BaNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
+NO3- + Ba+2 = BaNO3+
+        -llnl_gamma 4
+        log_k 0.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ba++  =  BaOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.47
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
+
+H2O + Ba+2 = BaOH+ + H+
+        -llnl_gamma 4
+        log_k -13.47
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Be++  =  Be(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.8023
-	-delta_H	-52.4255	kJ/mol	# Calculated enthalpy of reaction	Be(Acetate)2
+
+2 HAcetate + Be+2 = Be(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -6.8023
+	-delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2
 #	Enthalpy of formation:	-336.23 kcal/mol
-        -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005
+        -analytic -3.5242e+1 5.1285e-3 -4.8914e+2 8.2862e+0 7.1774e+5
 #       -Range:  0-300
 
-1.0000 Be++ + 1.0000 HAcetate  =  BeAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.1079
-	-delta_H	-22.761	kJ/mol	# Calculated enthalpy of reaction	BeAcetate+
+Be+2 + HAcetate = BeAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.1079
+	-delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+
 #	Enthalpy of formation:	-213.04 kcal/mol
-        -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005
+        -analytic -1.9418e+1 5.2172e-4 -8.5071e+1 5.2755e+0 3.0215e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Be++  =  BeO2-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.161
-	-delta_H	163.737	kJ/mol	# Calculated enthalpy of reaction	BeO2-2
+2 H2O + Be+2 = BeO2-2 + 4 H+
+        -llnl_gamma 4
+        log_k -32.161
+	-delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2
 #	Enthalpy of formation:	-189 kcal/mol
-        -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002
+        -analytic 7.086e+0 -3.8474e-2 -1.14e+4 4.2138e+0 -1.7789e+2
 #       -Range:  0-300
 
-2.0000 H+ + 2.0000 Br- + 0.5000 O2  =  Br2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +5.6834
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Br2
+2 H+ + 2 Br- + 0.5 O2 = Br2 + H2O
+        -llnl_gamma 3
+        log_k 5.6834
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Br2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 H+  =  CO2 +1.0000 H2O
+
+HCO3- + H+ = CO2 + H2O
         -CO2_llnl_gamma
-        log_k           +6.3447
-	-delta_H	-9.7027	kJ/mol	# Calculated enthalpy of reaction	CO2
+        log_k 6.3447
+	-delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2
 #	Enthalpy of formation:	-98.9 kcal/mol
-        -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001
+        -analytic -1.0534e+1 2.1746e-2 2.5216e+3 7.9125e-1 3.9351e+1
 #       -Range:  0-300
 
-1.0000 HCO3-  =  CO3-- +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -10.3288
-	-delta_H	14.6984	kJ/mol	# Calculated enthalpy of reaction	CO3-2
+HCO3- = CO3-2 + H+
+        -llnl_gamma 4.5
+        log_k -10.3288
+	-delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2
 #	Enthalpy of formation:	-161.385 kcal/mol
-        -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000
+        -analytic -6.9958e+1 -3.3526e-2 -7.0846e+1 2.8224e+1 -1.0849e+0
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ca++  =  Ca(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3814
-	-delta_H	-2.7196	kJ/mol	# Calculated enthalpy of reaction	Ca(Acetate)2
+2 HAcetate + Ca+2 = Ca(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.3814
+	-delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2
 #	Enthalpy of formation:	-362.65 kcal/mol
-        -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005
+        -analytic -1.032e+1 4.0012e-3 -3.6281e+3 2.4421e+0 7.0175e+5
 #       -Range:  0-300
 
-1.0000 O_phthalate-2 + 1.0000 Ca++  =  Ca(O_phthalate)
-        -llnl_gamma           3.0    
-        log_k           +2.4200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca(O_phthalate)
+O_phthalate-2 + Ca+2 = Ca(O_phthalate)
+        -llnl_gamma 3
+        log_k 2.42
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate)
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3  =  CaB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.4222
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaB(OH)4+
+
+H2O + Ca+2 + B(OH)3 = CaB(OH)4+ + H+
+        -llnl_gamma 4
+        log_k -7.4222
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ca++ + 1.0000 HAcetate  =  CaAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.8263
-	-delta_H	1.17152	kJ/mol	# Calculated enthalpy of reaction	CaAcetate+
+
+Ca+2 + HAcetate = CaAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.8263
+	-delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+
 #	Enthalpy of formation:	-245.62 kcal/mol
-        -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005
+        -analytic -8.8826e+0 3.1672e-3 -1.0764e+3 2.0526e+0 2.3599e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Ca++  =  CaCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.0017
-	-delta_H	30.5767	kJ/mol	# Calculated enthalpy of reaction	CaCO3
+HCO3- + Ca+2 = CaCO3 + H+
+        -llnl_gamma 3
+        log_k -7.0017
+	-delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3
 #	Enthalpy of formation:	-287.39 kcal/mol
-        -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002
+        -analytic 2.3045e+2 5.535e-2 -8.5056e+3 -9.1096e+1 -1.3279e+2
 #       -Range:  0-300
 
-1.0000 Cl- + 1.0000 Ca++  =  CaCl+
-        -llnl_gamma           4.0    
-        log_k           -0.6956
-	-delta_H	2.02087	kJ/mol	# Calculated enthalpy of reaction	CaCl+
+Cl- + Ca+2 = CaCl+
+        -llnl_gamma 4
+        log_k -0.6956
+	-delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+
 #	Enthalpy of formation:	-169.25 kcal/mol
-        -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001
+        -analytic 8.1498e+1 3.8387e-2 -1.3763e+3 -3.5968e+1 -2.1501e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Ca++  =  CaCl2
-        -llnl_gamma           3.0    
-        log_k           -0.6436
-	-delta_H	-5.8325	kJ/mol	# Calculated enthalpy of reaction	CaCl2
+2 Cl- + Ca+2 = CaCl2
+        -llnl_gamma 3
+        log_k -0.6436
+	-delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2
 #	Enthalpy of formation:	-211.06 kcal/mol
-        -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001
+        -analytic 1.8178e+2 7.691e-2 -3.1088e+3 -7.876e+1 -4.8563e+1
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Ca++  =  CaF+
-        -llnl_gamma           4.0    
-        log_k           +0.6817
-	-delta_H	5.6484	kJ/mol	# Calculated enthalpy of reaction	CaF+
+F- + Ca+2 = CaF+
+        -llnl_gamma 4
+        log_k 0.6817
+	-delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+
 #	Enthalpy of formation:	-208.6 kcal/mol
-        -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001
+        -analytic 7.8058e+1 3.8276e-2 -1.3289e+3 -3.4071e+1 -2.0759e+1
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++  =  CaH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaH2PO4+
+HPO4-2 + H+ + Ca+2 = CaH2PO4+
+        -llnl_gamma 4
+        log_k 1.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Ca++  =  CaHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.0467
-	-delta_H	1.45603	kJ/mol	# Calculated enthalpy of reaction	CaHCO3+
+
+HCO3- + Ca+2 = CaHCO3+
+        -llnl_gamma 4
+        log_k 1.0467
+	-delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+
 #	Enthalpy of formation:	-294.35 kcal/mol
-        -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000
+        -analytic 5.5985e+1 3.4639e-2 -3.6972e+2 -2.5864e+1 -5.7859e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Ca++  =  CaHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.7400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaHPO4
+HPO4-2 + Ca+2 = CaHPO4
+        -llnl_gamma 3
+        log_k 2.74
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Ca++  =  CaNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaNO3+
+
+NO3- + Ca+2 = CaNO3+
+        -llnl_gamma 4
+        log_k 0.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Ca++  =  CaOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.85
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaOH+
+
+H2O + Ca+2 = CaOH+ + H+
+        -llnl_gamma 4
+        log_k -12.85
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ca++  =  CaP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.0537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaP2O7-2
+
+2 HPO4-2 + Ca+2 = CaP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 3.0537
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Ca++  =  CaPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.8618
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaPO4-
+
+HPO4-2 + Ca+2 = CaPO4- + H+
+        -llnl_gamma 4
+        log_k -5.8618
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ca++  =  CaSO4
-        -llnl_gamma           3.0    
-        log_k           +2.1111
-	-delta_H	5.4392	kJ/mol	# Calculated enthalpy of reaction	CaSO4
+
+SO4-2 + Ca+2 = CaSO4
+        -llnl_gamma 3
+        log_k 2.1111
+	-delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4
 #	Enthalpy of formation:	-345.9 kcal/mol
-        -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002
+        -analytic 2.8618e+2 8.4084e-2 -7.688e+3 -1.1449e+2 -1.2005e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Cd++  =  Cd(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.3625
-	-delta_H	-17.4891	kJ/mol	# Calculated enthalpy of reaction	Cd(Acetate)2
+2 HAcetate + Cd+2 = Cd(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -6.3625
+	-delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2
 #	Enthalpy of formation:	-254.52 kcal/mol
-        -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005
+        -analytic -1.9344e+1 2.5894e-3 -3.2847e+3 5.8489e+0 7.8041e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Cd++  =  Cd(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.8558
-	-delta_H	-40.0409	kJ/mol	# Calculated enthalpy of reaction	Cd(Acetate)3-
+3 HAcetate + Cd+2 = Cd(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -10.8558
+	-delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3-
 #	Enthalpy of formation:	-376.01 kcal/mol
-        -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006
+        -analytic 4.829e+1 -3.4317e-3 -1.5122e+4 -1.3203e+1 2.2479e+6
 #       -Range:  0-300
 
-4.0000 HAcetate + 1.0000 Cd++  =  Cd(Acetate)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.9163
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Acetate)4-2
+4 HAcetate + Cd+2 = Cd(Acetate)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -16.9163
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
- 2.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)2
-         -llnl_gamma           3.0    
-         log_k           +10.3551
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)2
- #	Enthalpy of formation:	-0 kcal/mol
-  
- 3.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)3-
-         -llnl_gamma           4.0    
-         log_k           +14.8191
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)3-
- #	Enthalpy of formation:	-0 kcal/mol
-  
- 4.0000 Cyanide- + 1.0000 Cd++  =  Cd(Cyanide)4--
-         -llnl_gamma           4.0    
-         log_k           +18.2670
- 	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Cyanide)4-2
- #	Enthalpy of formation:	-0 kcal/mol
- 
 
-2.0000 HCO3- + 1.0000 Cd++  =  Cd(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -14.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(CO3)2-2
+ 2 Cyanide- + Cd+2 = Cd(Cyanide)2
+         -llnl_gamma 3
+         log_k 10.3551
+ 	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2
+ #	Enthalpy of formation:	-0 kcal/mol
+
+ 3 Cyanide- + Cd+2 = Cd(Cyanide)3-
+         -llnl_gamma 4
+         log_k 14.8191
+ 	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3-
+ #	Enthalpy of formation:	-0 kcal/mol
+
+ 4 Cyanide- + Cd+2 = Cd(Cyanide)4-2
+         -llnl_gamma 4
+         log_k 18.267
+ 	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2
+ #	Enthalpy of formation:	-0 kcal/mol
+
+
+2 HCO3- + Cd+2 = Cd(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -14.2576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 N3- + 1.0000 Cd++  =  Cd(N3)2
-        -llnl_gamma           0.0    
-        log_k           +2.4606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)2
+
+2 N3- + Cd+2 = Cd(N3)2
+        -llnl_gamma 0
+        log_k 2.4606
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 N3- + 1.0000 Cd++  =  Cd(N3)3-
-        -llnl_gamma           4.0    
-        log_k           +3.1263
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)3-
+
+3 N3- + Cd+2 = Cd(N3)3-
+        -llnl_gamma 4
+        log_k 3.1263
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 N3- + 1.0000 Cd++  =  Cd(N3)4--
-        -llnl_gamma           4.0    
-        log_k           +3.4942
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(N3)4-2
+
+4 N3- + Cd+2 = Cd(N3)4-2
+        -llnl_gamma 4
+        log_k 3.4942
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)++
-        -llnl_gamma           4.5    
-        log_k           +2.5295
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(NH3)+2
+
+NH3 + Cd+2 = Cd(NH3)+2
+        -llnl_gamma 4.5
+        log_k 2.5295
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +4.8760
-	-delta_H	-27.6533	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)2+2
+
+2 NH3 + Cd+2 = Cd(NH3)2+2
+        -llnl_gamma 4.5
+        log_k 4.876
+	-delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2
 #	Enthalpy of formation:	-266.225 kJ/mol
-        -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001
+        -analytic 1.0738e+2 1.6071e-3 -3.2536e+3 -3.7202e+1 -5.0801e+1
 #       -Range:  0-300
 
-4.0000 NH3 + 1.0000 Cd++  =  Cd(NH3)4++
-        -llnl_gamma           4.5    
-        log_k           +7.2914
-	-delta_H	-49.0684	kJ/mol	# Calculated enthalpy of reaction	Cd(NH3)4+2
+4 NH3 + Cd+2 = Cd(NH3)4+2
+        -llnl_gamma 4.5
+        log_k 7.2914
+	-delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2
 #	Enthalpy of formation:	-450.314 kJ/mol
-        -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001
+        -analytic 1.567e+2 -9.4949e-3 -5.0986e+3 -5.2316e+1 -7.9603e+1
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Cd++  =  Cd(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -20.3402
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)2
+2 H2O + Cd+2 = Cd(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -20.3402
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Cd++  =  Cd(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)3-
+
+3 H2O + Cd+2 = Cd(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -33.2852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Cd++  =  Cd(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -47.3303
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)4-2
+
+4 H2O + Cd+2 = Cd(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -47.3303
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++  =  Cd(OH)Cl +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4328
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(OH)Cl
+
+H2O + Cl- + Cd+2 = Cd(OH)Cl + H+
+        -llnl_gamma 3
+        log_k -7.4328
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.8649
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)2
+
+2 Thiocyanate- + Cd+2 = Cd(Thiocyanate)2
+        -llnl_gamma 3
+        log_k 1.8649
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Thiocyanate- + 1.0000 Cd++  =  Cd(Thiocyanate)3-
-        -llnl_gamma           4.0    
-        log_k           +1.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(Thiocyanate)3-
+
+3 Thiocyanate- + Cd+2 = Cd(Thiocyanate)3-
+        -llnl_gamma 4
+        log_k 1.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cd++ + 1.0000 H2O  =  Cd2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -9.3851
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd2OH+3
+
+2 Cd+2 + H2O = Cd2OH+3 + H+
+        -llnl_gamma 5
+        log_k -9.3851
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 4.0000 Cd++  =  Cd4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -362.1263
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd4(OH)4+4
+
+4 H2O + 4 Cd+2 = Cd4(OH)4+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k -362.1263
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cd++ + 1.0000 Br-  =  CdBr+
-        -llnl_gamma           4.0    
-        log_k           +2.1424
-	-delta_H	-3.35588	kJ/mol	# Calculated enthalpy of reaction	CdBr+
+
+Cd+2 + Br- = CdBr+
+        -llnl_gamma 4
+        log_k 2.1424
+	-delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+
 #	Enthalpy of formation:	-200.757 kJ/mol
-        -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001
+        -analytic 1.4922e+2 5.0059e-2 -3.3035e+3 -6.0984e+1 -5.1593e+1
 #       -Range:  0-300
 
-2.0000 Br- + 1.0000 Cd++  =  CdBr2
-        -llnl_gamma           3.0    
-        log_k           +2.8614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr2
+2 Br- + Cd+2 = CdBr2
+        -llnl_gamma 3
+        log_k 2.8614
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Cd++  =  CdBr3-
-        -llnl_gamma           4.0    
-        log_k           +3.0968
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdBr3-
+
+3 Br- + Cd+2 = CdBr3-
+        -llnl_gamma 4
+        log_k 3.0968
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cd++ + 1.0000 HAcetate  =  CdAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.8294
-	-delta_H	-7.02912	kJ/mol	# Calculated enthalpy of reaction	CdAcetate+
+
+Cd+2 + HAcetate = CdAcetate+ + H+
+        -llnl_gamma 4
+        log_k -2.8294
+	-delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+
 #	Enthalpy of formation:	-135.92 kcal/mol
-        -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005
+        -analytic -8.8425e+0 1.7178e-3 -1.1758e+3 2.4435e+0 3.0321e+5
 #       -Range:  0-300
 
-1.0000 Cd++ + 1.0000 Cyanide-  =  CdCyanide+
-        -llnl_gamma           4.0    
-        log_k           +5.3129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCyanide+
+Cd+2 + Cyanide- = CdCyanide+
+        -llnl_gamma 4
+        log_k 5.3129
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Cd++  =  CdCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdCO3
+
+HCO3- + Cd+2 = CdCO3 + H+
+        -llnl_gamma 3
+        log_k -7.3288
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cl- + 1.0000 Cd++  =  CdCl+
-        -llnl_gamma           4.0    
-        log_k           +2.7059
-	-delta_H	2.33843	kJ/mol	# Calculated enthalpy of reaction	CdCl+
+
+Cl- + Cd+2 = CdCl+
+        -llnl_gamma 4
+        log_k 2.7059
+	-delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+
 #	Enthalpy of formation:	-240.639 kJ/mol
-2.0000 Cl- + 1.0000 Cd++  =  CdCl2
-        -llnl_gamma           3.0    
-        log_k           +3.3384
-	-delta_H	5.1261	kJ/mol	# Calculated enthalpy of reaction	CdCl2
+2 Cl- + Cd+2 = CdCl2
+        -llnl_gamma 3
+        log_k 3.3384
+	-delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2
 #	Enthalpy of formation:	-404.931 kJ/mol
-        -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001
+        -analytic 1.4052e+2 4.9221e-2 -3.2625e+3 -5.6946e+1 -5.5451e+1
 #       -Range:  0-200
 
-3.0000 Cl- + 1.0000 Cd++  =  CdCl3-
-        -llnl_gamma           4.0    
-        log_k           +2.7112
-	-delta_H	15.9388	kJ/mol	# Calculated enthalpy of reaction	CdCl3-
+3 Cl- + Cd+2 = CdCl3-
+        -llnl_gamma 4
+        log_k 2.7112
+	-delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3-
 #	Enthalpy of formation:	-561.198 kJ/mol
-        -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002
+        -analytic 3.5108e+2 1.0219e-1 -9.9103e+3 -1.3965e+2 -1.5474e+2
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Cd++  =  CdHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdHCO3+
+HCO3- + Cd+2 = CdHCO3+
+        -llnl_gamma 4
+        log_k 1.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 I- + 1.0000 Cd++  =  CdI+
-        -llnl_gamma           4.0    
-        log_k           +2.0710
-	-delta_H	-9.02584	kJ/mol	# Calculated enthalpy of reaction	CdI+
+
+I- + Cd+2 = CdI+
+        -llnl_gamma 4
+        log_k 2.071
+	-delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+
 #	Enthalpy of formation:	-141.826 kJ/mol
-        -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001
+        -analytic 1.5019e+2 5.032e-2 -3.081e+3 -6.1738e+1 -4.812e+1
 #       -Range:  0-300
 
-2.0000 I- + 1.0000 Cd++  =  CdI2
-        -llnl_gamma           3.0    
-        log_k           +3.4685
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI2
+2 I- + Cd+2 = CdI2
+        -llnl_gamma 3
+        log_k 3.4685
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdI2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Cd++  =  CdI3-
-        -llnl_gamma           4.0    
-        log_k           +4.5506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdI3-
+
+3 I- + Cd+2 = CdI3-
+        -llnl_gamma 4
+        log_k 4.5506
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdI3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Cd++  =  CdI4--
-        -llnl_gamma           4.0    
-        log_k           +5.3524
-	-delta_H	-38.8566	kJ/mol	# Calculated enthalpy of reaction	CdI4-2
+
+4 I- + Cd+2 = CdI4-2
+        -llnl_gamma 4
+        log_k 5.3524
+	-delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2
 #	Enthalpy of formation:	-342.364 kJ/mol
-        -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002
+        -analytic 4.3154e+2 1.4257e-1 -8.4464e+3 -1.7795e+2 -1.3193e+2
 #       -Range:  0-300
 
-1.0000 N3- + 1.0000 Cd++  =  CdN3+
-        -llnl_gamma           4.0    
-        log_k           +1.4970
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdN3+
+N3- + Cd+2 = CdN3+
+        -llnl_gamma 4
+        log_k 1.497
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Cd++  =  CdNO2+
-        -llnl_gamma           4.0    
-        log_k           +2.3700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdNO2+
+
+NO2- + Cd+2 = CdNO2+
+        -llnl_gamma 4
+        log_k 2.37
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cd++  =  CdOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0751
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdOH+
+
+H2O + Cd+2 = CdOH+ + H+
+        -llnl_gamma 4
+        log_k -10.0751
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Cd++  =  CdP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +4.8094
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdP2O7-2
+
+2 HPO4-2 + Cd+2 = CdP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 4.8094
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Thiocyanate- + 1.0000 Cd++  =  CdThiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +1.3218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdThiocyanate+
+
+Thiocyanate- + Cd+2 = CdThiocyanate+
+        -llnl_gamma 4
+        log_k 1.3218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Cd++  =  CdSO4
-        -llnl_gamma           3.0    
-        log_k           +0.0028
-	-delta_H	0.20436	kJ/mol	# Calculated enthalpy of reaction	CdSO4
+
+SO4-2 + Cd+2 = CdSO4
+        -llnl_gamma 3
+        log_k 0.0028
+	-delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4
 #	Enthalpy of formation:	-985.295 kJ/mol
-        -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000
+        -analytic -8.9926e+0 -1.9109e-3 2.7454e+2 3.4949e+0 4.6651e+0
 #       -Range:  0-200
 
-1.0000 SeO4-- + 1.0000 Cd++  =  CdSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.2700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CdSeO4
+SeO4-2 + Cd+2 = CdSeO4
+        -llnl_gamma 3
+        log_k 2.27
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Ce+++  =  Ce(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.8159
-	-delta_H	-22.9702	kJ/mol	# Calculated enthalpy of reaction	Ce(Acetate)2+
+
+2 HAcetate + Ce+3 = Ce(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.8159
+	-delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+
 #	Enthalpy of formation:	-405.09 kcal/mol
-        -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005
+        -analytic -3.4653e+1 2.0716e-4 -6.34e+2 1.0678e+1 4.8922e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Ce+++  =  Ce(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.151
-	-delta_H	-38.7438	kJ/mol	# Calculated enthalpy of reaction	Ce(Acetate)3
+3 HAcetate + Ce+3 = Ce(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.151
+	-delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3
 #	Enthalpy of formation:	-524.96 kcal/mol
-        -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005
+        -analytic -2.3361e+1 2.3896e-3 -1.8035e+3 5.0888e+0 7.1021e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Ce+++  =  Ce(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.1576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
+2 HCO3- + Ce+3 = Ce(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.1576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
+
+2 HPO4-2 + Ce+3 = Ce(HPO4)2-
+        -llnl_gamma 4
+        log_k 8.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Ce++++  =  Ce(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           +2.0098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
+
+2 H2O + Ce+4 = Ce(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k 2.0098
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ce+++  =  Ce(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.1437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
+
+2 HPO4-2 + Ce+3 = Ce(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -6.1437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Ce++++  =  Ce2(OH)2+6 +2.0000 H+
-        -llnl_gamma           6.0    
-        log_k           +3.0098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
+
+2 H2O + 2 Ce+4 = Ce2(OH)2+6 + 2 H+
+        -llnl_gamma 6
+        log_k 3.0098
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 3.0000 Ce+++  =  Ce3(OH)5++++ +5.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -33.4754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
+
+5 H2O + 3 Ce+3 = Ce3(OH)5+4 + 5 H+
+        -llnl_gamma 5.5
+        log_k -33.4754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ce+++ + 1.0000 Br-  =  CeBr++
-        -llnl_gamma           4.5    
-        log_k           +0.3797
-	-delta_H	3.0585	kJ/mol	# Calculated enthalpy of reaction	CeBr+2
+
+Ce+3 + Br- = CeBr+2
+        -llnl_gamma 4.5
+        log_k 0.3797
+	-delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2
 #	Enthalpy of formation:	-195.709 kcal/mol
-        -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001
+        -analytic 7.579e+1 3.604e-2 -1.2647e+3 -3.3094e+1 -1.9757e+1
 #       -Range:  0-300
 
-1.0000 Ce+++ + 1.0000 HAcetate  =  CeAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0304
-	-delta_H	-12.0918	kJ/mol	# Calculated enthalpy of reaction	CeAcetate+2
+Ce+3 + HAcetate = CeAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.0304
+	-delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2
 #	Enthalpy of formation:	-286.39 kcal/mol
-        -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005
+        -analytic -1.608e+1 6.6239e-4 -6.0721e+2 5.0845e+0 2.9512e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Ce+++  =  CeCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.9284
-	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
+HCO3- + Ce+3 = CeCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.9284
+	-delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+
 #	Enthalpy of formation:	-309.988 kcal/mol
-        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
+        -analytic 2.3292e+2 5.3153e-2 -7.118e+3 -9.2061e+1 -1.1114e+2
 #       -Range:  0-300
 
-1.0000 Cl- + 1.0000 Ce+++  =  CeCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
+Cl- + Ce+3 = CeCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2
 #	Enthalpy of formation:	-203.8 kcal/mol
-        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
+        -analytic 8.3534e+1 3.8166e-2 -2.0058e+3 -3.5504e+1 -3.1324e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Ce+++  =  CeCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
+2 Cl- + Ce+3 = CeCl2+
+        -llnl_gamma 4
+        log_k 0.0308
+	-delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+
 #	Enthalpy of formation:	-242.3 kcal/mol
-        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
+        -analytic 2.3011e+2 8.1428e-2 -6.1292e+3 -9.4468e+1 -9.5708e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Ce+++  =  CeCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
+3 Cl- + Ce+3 = CeCl3
+        -llnl_gamma 3
+        log_k -0.3936
+	-delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3
 #	Enthalpy of formation:	-283.5 kcal/mol
-        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
+        -analytic 4.4073e+2 1.2994e-1 -1.2308e+4 -1.7722e+2 -1.9218e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Ce+++  =  CeCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
+4 Cl- + Ce+3 = CeCl4-
+        -llnl_gamma 4
+        log_k -0.7447
+	-delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4-
 #	Enthalpy of formation:	-327.6 kcal/mol
-        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
+        -analytic 5.223e+2 1.349e-1 -1.4859e+4 -2.0747e+2 -2.3201e+2
 #       -Range:  0-300
 
-1.0000 ClO4- + 1.0000 Ce+++  =  CeClO4++
-        -llnl_gamma           4.5    
-        log_k           +1.9102
-	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
+ClO4- + Ce+3 = CeClO4+2
+        -llnl_gamma 4.5
+        log_k 1.9102
+	-delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2
 #	Enthalpy of formation:	-210.026 kcal/mol
-        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
+        -analytic -1.3609e+1 1.8115e-2 3.9869e+3 -1.3033e+0 6.2215e+1
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Ce+++  =  CeF++
-        -llnl_gamma           4.5    
-        log_k           +4.2221
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
+F- + Ce+3 = CeF+2
+        -llnl_gamma 4.5
+        log_k 4.2221
+	-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2
 #	Enthalpy of formation:	-242 kcal/mol
-        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
+        -analytic 1.0303e+2 4.173e-2 -2.8424e+3 -4.1094e+1 -4.4383e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Ce+++  =  CeF2+
-        -llnl_gamma           4.0    
-        log_k           +7.2714
-	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
+2 F- + Ce+3 = CeF2+
+        -llnl_gamma 4
+        log_k 7.2714
+	-delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+
 #	Enthalpy of formation:	-324.1 kcal/mol
-        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
+        -analytic 2.5063e+2 8.5224e-2 -6.2219e+3 -1.0017e+2 -9.716e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Ce+++  =  CeF3
-        -llnl_gamma           3.0    
-        log_k           +9.5144
-	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
+3 F- + Ce+3 = CeF3
+        -llnl_gamma 3
+        log_k 9.5144
+	-delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3
 #	Enthalpy of formation:	-409.3 kcal/mol
-        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
+        -analytic 4.6919e+2 1.3664e-1 -1.1745e+4 -1.8629e+2 -1.834e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Ce+++  =  CeF4-
-        -llnl_gamma           4.0    
-        log_k           +11.3909
-	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
+4 F- + Ce+3 = CeF4-
+        -llnl_gamma 4
+        log_k 11.3909
+	-delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4-
 #	Enthalpy of formation:	-498.9 kcal/mol
-        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
+        -analytic 5.3522e+2 1.3856e-1 -1.2722e+4 -2.1112e+2 -1.9868e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++  =  CeH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6684
-	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
+HPO4-2 + H+ + Ce+3 = CeH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.6684
+	-delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2
 #	Enthalpy of formation:	-480.1 kcal/mol
-        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
+        -analytic 1.1338e+2 6.3771e-2 5.2908e+1 -4.9649e+1 7.9189e-1
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Ce+++  =  CeHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
+HCO3- + Ce+3 = CeHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.919
+	-delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2
 #	Enthalpy of formation:	-330.2 kcal/mol
-        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
+        -analytic 4.4441e+1 3.2077e-2 -3.0714e+2 -2.0622e+1 -4.806e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Ce+++  =  CeHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
+HPO4-2 + Ce+3 = CeHPO4+
+        -llnl_gamma 4
+        log_k 5.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 IO3- + 1.0000 Ce+++  =  CeIO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9000
-	-delta_H	-21.1627	kJ/mol	# Calculated enthalpy of reaction	CeIO3+2
+
+IO3- + Ce+3 = CeIO3+2
+        -llnl_gamma 4.5
+        log_k 1.9
+	-delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2
 #	Enthalpy of formation:	-225.358 kcal/mol
-        -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001
+        -analytic 3.3756e+1 2.8528e-2 1.2847e+3 -1.8042e+1 2.0036e+1
 #       -Range:  0-300
 
-1.0000 NO3- + 1.0000 Ce+++  =  CeNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.3143
-	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
+NO3- + Ce+3 = CeNO3+2
+        -llnl_gamma 4.5
+        log_k 1.3143
+	-delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2
 #	Enthalpy of formation:	-223.2 kcal/mol
-        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
+        -analytic 2.2772e+1 2.5931e-2 1.995e+3 -1.449e+1 3.1124e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Ce+++  =  CeO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.4103
-	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
+H2O + Ce+3 = CeO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.4103
+	-delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+
 #	Enthalpy of formation:	-208.9 kcal/mol
-        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
+        -analytic 1.9881e+2 3.1302e-2 -1.4331e+4 -7.1323e+1 -2.2368e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Ce+++  =  CeO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -38.758
-	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
+2 H2O + Ce+3 = CeO2- + 4 H+
+        -llnl_gamma 4
+        log_k -38.758
+	-delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2-
 #	Enthalpy of formation:	-230.3 kcal/mol
-        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
+        -analytic 1.0059e+2 3.4824e-3 -1.5873e+4 -3.3056e+1 -4.7656e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Ce+++  =  CeO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.1503
-	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
+2 H2O + Ce+3 = CeO2H + 3 H+
+        -llnl_gamma 3
+        log_k -26.1503
+	-delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H
 #	Enthalpy of formation:	-249.5 kcal/mol
-        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
+        -analytic 3.565e+2 4.6708e-2 -2.432e+4 -1.2731e+2 -3.7959e+2
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Ce+++  =  CeOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.4206
-	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
+H2O + Ce+3 = CeOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -8.4206
+	-delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2
 #	Enthalpy of formation:	-218.2 kcal/mol
-        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
+        -analytic 7.5809e+1 1.2863e-2 -6.7244e+3 -2.6473e+1 -1.0495e+2
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Ce++++  =  CeOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +3.2049
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
+H2O + Ce+4 = CeOH+3 + H+
+        -llnl_gamma 5
+        log_k 3.2049
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Ce+++  =  CePO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.9718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
+
+HPO4-2 + Ce+3 = CePO4 + H+
+        -llnl_gamma 3
+        log_k -0.9718
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CePO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ce+++  =  CeSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
+
+SO4-2 + Ce+3 = CeSO4+
+        -llnl_gamma 4
+        log_k -3.687
+	-delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+
 #	Enthalpy of formation:	-380.2 kcal/mol
-        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
+        -analytic 3.0156e+2 8.5149e-2 -1.1025e+4 -1.1866e+2 -1.7213e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Co++  =  Co(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.1468
-	-delta_H	-22.4262	kJ/mol	# Calculated enthalpy of reaction	Co(Acetate)2
+2 HAcetate + Co+2 = Co(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.1468
+	-delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2
 #	Enthalpy of formation:	-251.46 kcal/mol
-        -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005
+        -analytic -2.0661e+1 2.9014e-3 -2.2146e+3 5.1702e+0 6.4968e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Co++  =  Co(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.281
-	-delta_H	-48.2415	kJ/mol	# Calculated enthalpy of reaction	Co(Acetate)3-
+3 HAcetate + Co+2 = Co(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -11.281
+	-delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3-
 #	Enthalpy of formation:	-373.73 kcal/mol
-        -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006
+        -analytic 6.3384e+1 -4.0669e-3 -1.4715e+4 -1.9518e+1 2.1524e+6
 #       -Range:  0-300
 
-2.0000 HS- + 1.0000 Co++  =  Co(HS)2
-        -llnl_gamma           3.0    
-        log_k           +9.0306
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(HS)2
+2 HS- + Co+2 = Co(HS)2
+        -llnl_gamma 3
+        log_k 9.0306
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Co++  =  Co(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -18.8
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
+
+2 H2O + Co+2 = Co(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -18.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Co++  =  Co(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -45.7803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)4-2
+
+4 H2O + Co+2 = Co(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -45.7803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 2.0000 Co++  =  Co2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -11.2
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co2OH+3
+
+H2O + 2 Co+2 = Co2OH+3 + H+
+        -llnl_gamma 5
+        log_k -11.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 4.0000 Co++  =  Co4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -30.3803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co4(OH)4+4
+
+4 H2O + 4 Co+2 = Co4(OH)4+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k -30.3803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Co++  =  CoBr2
-        -llnl_gamma           3.0    
-        log_k           -0.0358
-	-delta_H	-0.56568	kJ/mol	# Calculated enthalpy of reaction	CoBr2
+
+2 Br- + Co+2 = CoBr2
+        -llnl_gamma 3
+        log_k -0.0358
+	-delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2
 #	Enthalpy of formation:	-301.73 kJ/mol
-        -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000
+        -analytic 5.8731e+0 8.0908e-4 -1.8986e+2 -2.2295e+0 -3.2261e+0
 #       -Range:  0-200
 
-1.0000 Co++ + 1.0000 HAcetate  =  CoAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2985
-	-delta_H	-8.70272	kJ/mol	# Calculated enthalpy of reaction	CoAcetate+
+Co+2 + HAcetate = CoAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.2985
+	-delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+
 #	Enthalpy of formation:	-132.08 kcal/mol
-        -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005
+        -analytic -5.4858e+0 1.9147e-3 -1.1292e+3 9.0555e-1 2.8223e+5
 #       -Range:  0-300
 
-1.0000 Co++ + 1.0000 Cl-  =  CoCl+
-        -llnl_gamma           4.0    
-        log_k           +0.1547
-	-delta_H	1.71962	kJ/mol	# Calculated enthalpy of reaction	CoCl+
+Co+2 + Cl- = CoCl+
+        -llnl_gamma 4
+        log_k 0.1547
+	-delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+
 #	Enthalpy of formation:	-53.422 kcal/mol
-        -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001
+        -analytic 1.5234e+2 5.6958e-2 -3.3258e+3 -6.3849e+1 -5.1942e+1
 #       -Range:  0-300
 
-1.0000 HS- + 1.0000 Co++  =  CoHS+
-        -llnl_gamma           4.0    
-        log_k           +5.9813
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHS+
+HS- + Co+2 = CoHS+
+        -llnl_gamma 4
+        log_k 5.9813
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Co++  =  CoI2
-        -llnl_gamma           3.0    
-        log_k           -0.0944
-	-delta_H	3.1774	kJ/mol	# Calculated enthalpy of reaction	CoI2
+
+2 I- + Co+2 = CoI2
+        -llnl_gamma 3
+        log_k -0.0944
+	-delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2
 #	Enthalpy of formation:	-168.785 kJ/mol
-        -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001
+        -analytic 3.6029e+1 1.0128e-2 -1.1219e+3 -1.4301e+1 -1.9064e+1
 #       -Range:  0-200
 
-1.0000 NO3- + 1.0000 Co++  =  CoNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoNO3+
+NO3- + Co+2 = CoNO3+
+        -llnl_gamma 4
+        log_k 0.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Co++ + S2O3-- = CoS2O3
-        -llnl_gamma           3.0    
-        log_k            0.8063
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoS2O3
+
+Co+2 + S2O3-2 = CoS2O3
+        -llnl_gamma 3
+        log_k 0.8063
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Co++  =  CoSO4
-        -llnl_gamma           3.0    
-        log_k           +0.0436
-	-delta_H	0.3842	kJ/mol	# Calculated enthalpy of reaction	CoSO4
+
+SO4-2 + Co+2 = CoSO4
+        -llnl_gamma 3
+        log_k 0.0436
+	-delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4
 #	Enthalpy of formation:	-967.375 kJ/mol
-        -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000
+        -analytic 2.4606e+0 1.0086e-3 -6.145e+1 -1.0148e+0 -1.0444e+0
 #       -Range:  0-200
 
-1.0000 SeO4-- + 1.0000 Co++  =  CoSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO4
+SeO4-2 + Co+2 = CoSeO4
+        -llnl_gamma 3
+        log_k 2.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Cr+++  =  Cr(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)2+
+
+2 H2O + Cr+3 = Cr(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -9.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Cr+++  =  Cr(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -18
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)3
+
+3 H2O + Cr+3 = Cr(OH)3 + 3 H+
+        -llnl_gamma 3
+        log_k -18
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Cr+++  =  Cr(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -27.4
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr(OH)4-
+
+4 H2O + Cr+3 = Cr(OH)4- + 4 H+
+        -llnl_gamma 4
+        log_k -27.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Cr+++  =  Cr2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -5.06
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr2(OH)2+4
+
+2 H2O + 2 Cr+3 = Cr2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -5.06
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 2.0000 CrO4--  =  Cr2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +14.5192
-	-delta_H	-13.8783	kJ/mol	# Calculated enthalpy of reaction	Cr2O7-2
+
+2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 14.5192
+	-delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2
 #	Enthalpy of formation:	-356.2 kcal/mol
-        -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001
+        -analytic 1.3749e+2 6.5773e-2 -7.9472e+2 -5.6525e+1 -1.2441e+1
 #       -Range:  0-300
 
-4.0000 H2O + 3.0000 Cr+++  =  Cr3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -8.15
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cr3(OH)4+5
+4 H2O + 3 Cr+3 = Cr3(OH)4+5 + 4 H+
+        -llnl_gamma 6
+        log_k -8.15
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cr+++ + 1.0000 Br-  =  CrBr++
-        -llnl_gamma           4.5    
-        log_k           -2.7813
-	-delta_H	33.564	kJ/mol	# Calculated enthalpy of reaction	CrBr+2
+
+Cr+3 + Br- = CrBr+2
+        -llnl_gamma 4.5
+        log_k -2.7813
+	-delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2
 #	Enthalpy of formation:	-78.018 kcal/mol
-        -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001
+        -analytic 9.4384e+1 3.4704e-2 -3.675e+3 -3.8461e+1 -5.7373e+1
 #       -Range:  0-300
 
-1.0000 Cr+++ + 1.0000 Cl-  =  CrCl++
-        -llnl_gamma           4.5    
-        log_k           -0.149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrCl+2
+Cr+3 + Cl- = CrCl+2
+        -llnl_gamma 4.5
+        log_k -0.149
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cr+++  =  CrCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.1596
-	-delta_H	41.2919	kJ/mol	# Calculated enthalpy of reaction	CrCl2+
+
+2 Cl- + Cr+3 = CrCl2+
+        -llnl_gamma 4
+        log_k 0.1596
+	-delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+
 #	Enthalpy of formation:	-126.997 kcal/mol
-        -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001
+        -analytic 2.0114e+2 7.3878e-2 -6.2218e+3 -8.1677e+1 -9.7144e+1
 #       -Range:  0-300
 
-1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           7.5270 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrO3Cl-
+Cl- + 2 H+ + CrO4-2 = CrO3Cl- + H2O
+        -llnl_gamma 4
+        log_k 7.527
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl-
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 2.7423e+002    1.0013e-001   -6.0072e+003   -1.1168e+002   -9.3817e+001
+        -analytic 2.7423e+2 1.0013e-1 -6.0072e+3 -1.1168e+2 -9.3817e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Cr+++  =  CrOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -4
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CrOH+2
+H2O + Cr+3 = CrOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Cs+  =  Cs(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.771
-	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Cs(Acetate)2-
+
+2 HAcetate + Cs+ = Cs(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.771
+	-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2-
 #	Enthalpy of formation:	-293.57 kcal/mol
-        -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001
+        -analytic -1.6956e+2 -4.0378e-2 4.5773e+3 6.3241e+1 7.1475e+1
 #       -Range:  0-300
 
-1.0000 Cs+ + 1.0000 Br-  =  CsBr
-        -llnl_gamma           3.0    
-        log_k           -0.2712
-	-delta_H	10.9621	kJ/mol	# Calculated enthalpy of reaction	CsBr
+Cs+ + Br- = CsBr
+        -llnl_gamma 3
+        log_k -0.2712
+	-delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr
 #	Enthalpy of formation:	-88.09 kcal/mol
-        -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001
+        -analytic 1.2064e+2 3.2e-2 -3.877e+3 -4.7458e+1 -6.0533e+1
 #       -Range:  0-300
 
-1.0000 Cs+ + 1.0000 HAcetate  =  CsAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.7352
-	-delta_H	6.0668	kJ/mol	# Calculated enthalpy of reaction	CsAcetate
+Cs+ + HAcetate = CsAcetate + H+
+        -llnl_gamma 3
+        log_k -4.7352
+	-delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate
 #	Enthalpy of formation:	-176.32 kcal/mol
-        -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005
+        -analytic 2.428e+1 -2.8642e-3 -3.1339e+3 -8.1616e+0 2.2684e+5
 #       -Range:  0-300
 
-1.0000 Cs+ + 1.0000 Cl-  =  CsCl
-        -llnl_gamma           3.0    
-        log_k           -0.1385
-	-delta_H	2.73215	kJ/mol	# Calculated enthalpy of reaction	CsCl
+Cs+ + Cl- = CsCl
+        -llnl_gamma 3
+        log_k -0.1385
+	-delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl
 #	Enthalpy of formation:	-100.95 kcal/mol
-        -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001
+        -analytic 1.2472e+2 3.373e-2 -3.913e+3 -4.9212e+1 -6.1096e+1
 #       -Range:  0-300
 
-1.0000 I- + 1.0000 Cs+  =  CsI
-        -llnl_gamma           3.0    
-        log_k           +0.2639
-	-delta_H	-6.56888	kJ/mol	# Calculated enthalpy of reaction	CsI
+I- + Cs+ = CsI
+        -llnl_gamma 3
+        log_k 0.2639
+	-delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI
 #	Enthalpy of formation:	-76.84 kcal/mol
-        -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001
+        -analytic 1.1555e+2 3.1419e-2 -3.3496e+3 -4.5828e+1 -5.2302e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Cu++  =  Cu(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.8824
-	-delta_H	-25.899	kJ/mol	# Calculated enthalpy of reaction	Cu(Acetate)2
+2 HAcetate + Cu+2 = Cu(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -5.8824
+	-delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2
 #	Enthalpy of formation:	-222.69 kcal/mol
-        -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005
+        -analytic -2.6689e+1 1.8048e-3 -1.8244e+3 7.7008e+0 6.5408e+5
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Cu+  =  Cu(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.2139
-	-delta_H	-19.5476	kJ/mol	# Calculated enthalpy of reaction	Cu(Acetate)2-
+2 HAcetate + Cu+ = Cu(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.2139
+	-delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2-
 #	Enthalpy of formation:	-219.74 kcal/mol
-        -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002
+        -analytic -3.2712e+2 -5.9087e-2 1.1386e+4 1.2017e+2 1.7777e+2
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Cu++  =  Cu(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.3788
-	-delta_H	-53.2205	kJ/mol	# Calculated enthalpy of reaction	Cu(Acetate)3-
+3 HAcetate + Cu+2 = Cu(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -9.3788
+	-delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3-
 #	Enthalpy of formation:	-345.32 kcal/mol
-        -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006
+        -analytic 3.9475e+1 -6.2867e-3 -1.3233e+4 -1.0643e+1 2.1121e+6
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Cu++  =  Cu(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.4757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(CO3)2-2
+2 HCO3- + Cu+2 = Cu(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -10.4757
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +7.4512
-	-delta_H	-45.1269	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)2+2
+
+2 NH3 + Cu+2 = Cu(NH3)2+2
+        -llnl_gamma 4.5
+        log_k 7.4512
+	-delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2
 #	Enthalpy of formation:	-142.112 kJ/mol
-        -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001
+        -analytic 1.1526e+2 4.8192e-3 -2.5139e+3 -4.0733e+1 -3.9261e+1
 #       -Range:  0-300
 
-3.0000 NH3 + 1.0000 Cu++  =  Cu(NH3)3++
-        -llnl_gamma           4.5    
-        log_k           +10.2719
-	-delta_H	-67.2779	kJ/mol	# Calculated enthalpy of reaction	Cu(NH3)3+2
+3 NH3 + Cu+2 = Cu(NH3)3+2
+        -llnl_gamma 4.5
+        log_k 10.2719
+	-delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2
 #	Enthalpy of formation:	-245.6 kJ/mol
-        -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001
+        -analytic 1.3945e+2 -3.8236e-4 -2.8137e+3 -4.8336e+1 -4.3946e+1
 #       -Range:  0-300
 
-2.0000 NO2- + 1.0000 Cu++  =  Cu(NO2)2
-        -llnl_gamma           3.0    
-        log_k           +3.0300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu(NO2)2
+2 NO2- + Cu+2 = Cu(NO2)2
+        -llnl_gamma 3
+        log_k 3.03
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cu+ + 1.0000 HAcetate  =  CuAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.4274
-	-delta_H	-4.19237	kJ/mol	# Calculated enthalpy of reaction	CuAcetate
+
+Cu+ + HAcetate = CuAcetate + H+
+        -llnl_gamma 3
+        log_k -4.4274
+	-delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate
 #	Enthalpy of formation:	-99.97 kcal/mol
-        -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005
+        -analytic 6.3784e+0 -4.5464e-4 -1.9995e+3 -2.8359e+0 2.7224e+5
 #       -Range:  0-300
 
-1.0000 Cu++ + 1.0000 HAcetate  =  CuAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.5252
-	-delta_H	-11.3805	kJ/mol	# Calculated enthalpy of reaction	CuAcetate+
+Cu+2 + HAcetate = CuAcetate+ + H+
+        -llnl_gamma 4
+        log_k -2.5252
+	-delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+
 #	Enthalpy of formation:	-103.12 kcal/mol
-        -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005
+        -analytic -1.493e+1 5.1278e-4 -3.4874e+2 4.3605e+0 2.3504e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++  =  CuCO3(OH)2-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.444
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3(OH)2-2
+2 H2O + HCO3- + Cu+2 = CuCO3(OH)2-2 + 3 H+
+        -llnl_gamma 4
+        log_k -23.444
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Cu++  =  CuCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3735
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCO3
+
+HCO3- + Cu+2 = CuCO3 + H+
+        -llnl_gamma 3
+        log_k -3.3735
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Cu++ + 1.0000 Cl-  =  CuCl+
-        -llnl_gamma           4.0    
-        log_k           +0.4370
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl+
+
+Cu+2 + Cl- = CuCl+
+        -llnl_gamma 4
+        log_k 0.437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cu++  =  CuCl2
-        -llnl_gamma           3.0    
-        log_k           +0.1585
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2
+
+2 Cl- + Cu+2 = CuCl2
+        -llnl_gamma 3
+        log_k 0.1585
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Cu+  =  CuCl2-
-        -llnl_gamma           4.0    
-        log_k           +4.8212
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl2-
+
+2 Cl- + Cu+ = CuCl2-
+        -llnl_gamma 4
+        log_k 4.8212
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Cu+  =  CuCl3--
-        -llnl_gamma           4.0    
-        log_k           +5.6289
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl3-2
+
+3 Cl- + Cu+ = CuCl3-2
+        -llnl_gamma 4
+        log_k 5.6289
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Cu++  =  CuCl4--
-        -llnl_gamma           4.0    
-        log_k           -4.5681
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuCl4-2
+
+4 Cl- + Cu+2 = CuCl4-2
+        -llnl_gamma 4
+        log_k -4.5681
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 F- + 1.0000 Cu++  =  CuF+
-        -llnl_gamma           4.0    
-        log_k           +1.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF+
+
+F- + Cu+2 = CuF+
+        -llnl_gamma 4
+        log_k 1.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++  =  CuH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +8.9654
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuH2PO4+
+
+HPO4-2 + H+ + Cu+2 = CuH2PO4+
+        -llnl_gamma 4
+        log_k 8.9654
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Cu++  =  CuHPO4
-        -llnl_gamma           3.0    
-        log_k           +4.0600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuHPO4
+
+HPO4-2 + Cu+2 = CuHPO4
+        -llnl_gamma 3
+        log_k 4.06
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NH3 + 1.0000 Cu++  =  CuNH3++
-        -llnl_gamma           4.5    
-        log_k           +4.0400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNH3+2
+
+NH3 + Cu+2 = CuNH3+2
+        -llnl_gamma 4.5
+        log_k 4.04
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Cu++  =  CuNO2+
-        -llnl_gamma           4.0    
-        log_k           +2.0200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuNO2+
+
+NO2- + Cu+2 = CuNO2+
+        -llnl_gamma 4
+        log_k 2.02
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Cu++  =  CuO2-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -39.4497
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuO2-2
+
+2 H2O + Cu+2 = CuO2-2 + 4 H+
+        -llnl_gamma 4
+        log_k -39.4497
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Cu++  =  CuOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.2875
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuOH+
+
+H2O + Cu+2 = CuOH+ + H+
+        -llnl_gamma 4
+        log_k -7.2875
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Cu++  =  CuPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuPO4-
+
+HPO4-2 + Cu+2 = CuPO4- + H+
+        -llnl_gamma 4
+        log_k -2.4718
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Cu++  =  CuSO4
-        -llnl_gamma           0.0    
-        log_k           +2.3600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSO4
+
+SO4-2 + Cu+2 = CuSO4
+        -llnl_gamma 0
+        log_k 2.36
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Dy+++  =  Dy(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-29.3298	kJ/mol	# Calculated enthalpy of reaction	Dy(Acetate)2+
+
+2 HAcetate + Dy+3 = Dy(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9625
+	-delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+
 #	Enthalpy of formation:	-405.71 kcal/mol
-        -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005
+        -analytic -2.7249e+1 2.7507e-3 -1.75e+3 7.9356e+0 6.8668e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Dy+++  =  Dy(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-49.4549	kJ/mol	# Calculated enthalpy of reaction	Dy(Acetate)3
+3 HAcetate + Dy+3 = Dy(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3489
+	-delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3
 #	Enthalpy of formation:	-526.62 kcal/mol
-        -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006
+        -analytic -2.4199e+1 6.2065e-3 -2.8937e+3 5.0176e+0 1.0069e+6
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Dy+++  =  Dy(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.4576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(CO3)2-
+2 HCO3- + Dy+3 = Dy(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.4576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(HPO4)2-
+
+2 HPO4-2 + Dy+3 = Dy(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with DyO2-
 #4.0000 H2O + 1.0000 Dy+++  =  Dy(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -33.4803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Dy+++  =  Dy(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(PO4)2-3
+
+2 HPO4-2 + Dy+3 = Dy(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.4437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Dy+++  =  Dy(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(SO4)2-
+
+2 SO4-2 + Dy+3 = Dy(SO4)2-
+        -llnl_gamma 4
+        log_k 5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Dy+++ + 1.0000 HAcetate  =  DyAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-14.8532	kJ/mol	# Calculated enthalpy of reaction	DyAcetate+2
+
+Dy+3 + HAcetate = DyAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1037
+	-delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2
 #	Enthalpy of formation:	-286.15 kcal/mol
-        -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005
+        -analytic -1.3635e+1 1.7329e-3 -9.4636e+2 4.09e+0 3.6282e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Dy+++  =  DyCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.3324
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	DyCO3+
+HCO3- + Dy+3 = DyCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.3324
+	-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+
 #	Enthalpy of formation:	-310.1 kcal/mol
-        -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002
+        -analytic 2.3742e+2 5.4342e-2 -6.9953e+3 -9.3949e+1 -1.0922e+2
 #       -Range:  0-300
 
-1.0000 Dy+++ + 1.0000 Cl-  =  DyCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	DyCl+2
+Dy+3 + Cl- = DyCl+2
+        -llnl_gamma 4.5
+        log_k 0.2353
+	-delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2
 #	Enthalpy of formation:	-203.2 kcal/mol
-        -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001
+        -analytic 6.9134e+1 3.7129e-2 -1.3839e+3 -3.0432e+1 -2.1615e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Dy+++  =  DyCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	DyCl2+
+2 Cl- + Dy+3 = DyCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+
 #	Enthalpy of formation:	-242.2 kcal/mol
-        -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001
+        -analytic 1.8868e+2 7.7901e-2 -4.3528e+3 -7.9735e+1 -6.7978e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Dy+++  =  DyCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	8.78222	kJ/mol	# Calculated enthalpy of reaction	DyCl3
+3 Cl- + Dy+3 = DyCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3
 #	Enthalpy of formation:	-284.2 kcal/mol
-        -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002
+        -analytic 3.6761e+2 1.2471e-1 -9.0651e+3 -1.5147e+2 -1.4156e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Dy+++  =  DyCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-14.0917	kJ/mol	# Calculated enthalpy of reaction	DyCl4-
+4 Cl- + Dy+3 = DyCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4-
 #	Enthalpy of formation:	-329.6 kcal/mol
-        -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002
+        -analytic 3.9134e+2 1.2288e-1 -9.2351e+3 -1.6078e+2 -1.4422e+2
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Dy+++  =  DyF++
-        -llnl_gamma           4.5    
-        log_k           +4.6619
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	DyF+2
+F- + Dy+3 = DyF+2
+        -llnl_gamma 4.5
+        log_k 4.6619
+	-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2
 #	Enthalpy of formation:	-241.1 kcal/mol
-        -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001
+        -analytic 9.112e+1 4.1193e-2 -2.3302e+3 -3.6734e+1 -3.6388e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Dy+++  =  DyF2+
-        -llnl_gamma           4.0    
-        log_k           +8.1510
-	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	DyF2+
+2 F- + Dy+3 = DyF2+
+        -llnl_gamma 4
+        log_k 8.151
+	-delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+
 #	Enthalpy of formation:	-323.8 kcal/mol
-        -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001
+        -analytic 2.1325e+2 8.2483e-2 -4.5864e+3 -8.6587e+1 -7.1629e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Dy+++  =  DyF3
-        -llnl_gamma           3.0    
-        log_k           +10.7605
-	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	DyF3
+3 F- + Dy+3 = DyF3
+        -llnl_gamma 3
+        log_k 10.7605
+	-delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3
 #	Enthalpy of formation:	-409.8 kcal/mol
-        -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002
+        -analytic 3.9766e+2 1.3143e-1 -8.5607e+3 -1.6056e+2 -1.337e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Dy+++  =  DyF4-
-        -llnl_gamma           4.0    
-        log_k           +12.8569
-	-delta_H	-57.3208	kJ/mol	# Calculated enthalpy of reaction	DyF4-
+4 F- + Dy+3 = DyF4-
+        -llnl_gamma 4
+        log_k 12.8569
+	-delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4-
 #	Enthalpy of formation:	-500.8 kcal/mol
-        -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002
+        -analytic 4.1672e+2 1.2922e-1 -7.4445e+3 -1.6867e+2 -1.1629e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++  =  DyH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.3751
-	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	DyH2PO4+2
+HPO4-2 + H+ + Dy+3 = DyH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.3751
+	-delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2
 #	Enthalpy of formation:	-479.7 kcal/mol
-        -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001
+        -analytic 9.8183e+1 6.2578e-2 7.1784e+2 -4.4383e+1 1.1172e+1
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Dy+++  =  DyHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	7.10443	kJ/mol	# Calculated enthalpy of reaction	DyHCO3+2
+HCO3- + Dy+3 = DyHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.6991
+	-delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2
 #	Enthalpy of formation:	-329.7 kcal/mol
-        -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000
+        -analytic 2.8465e+1 3.0703e-2 3.9229e+2 -1.5036e+1 6.1127e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Dy+++  =  DyHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyHPO4+
+HPO4-2 + Dy+3 = DyHPO4+
+        -llnl_gamma 4
+        log_k 5.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Dy+++  =  DyNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.1415
-	-delta_H	-30.4219	kJ/mol	# Calculated enthalpy of reaction	DyNO3+2
+
+NO3- + Dy+3 = DyNO3+2
+        -llnl_gamma 4.5
+        log_k 0.1415
+	-delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2
 #	Enthalpy of formation:	-223.2 kcal/mol
-        -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001
+        -analytic 6.4353e+0 2.4556e-2 2.5866e+3 -8.9975e+0 4.0359e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Dy+++  =  DyO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.1171
-	-delta_H	108.018	kJ/mol	# Calculated enthalpy of reaction	DyO+
+H2O + Dy+3 = DyO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.1171
+	-delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+
 #	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002
+        -analytic 1.9069e+2 3.0358e-2 -1.3796e+4 -6.8532e+1 -2.1532e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Dy+++  =  DyO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.4804
-	-delta_H	273.776	kJ/mol	# Calculated enthalpy of reaction	DyO2-
+2 H2O + Dy+3 = DyO2- + 4 H+
+        -llnl_gamma 4
+        log_k -33.4804
+	-delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2-
 #	Enthalpy of formation:	-237.7 kcal/mol
-        -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005
+        -analytic 7.7395e+1 4.4204e-4 -1.357e+4 -2.4546e+1 -4.232e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Dy+++  =  DyO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.8309
-	-delta_H	217.71	kJ/mol	# Calculated enthalpy of reaction	DyO2H
+2 H2O + Dy+3 = DyO2H + 3 H+
+        -llnl_gamma 3
+        log_k -24.8309
+	-delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H
 #	Enthalpy of formation:	-251.1 kcal/mol
-        -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002
+        -analytic 3.3576e+2 4.6004e-2 -2.2868e+4 -1.2027e+2 -3.5693e+2
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Dy+++  =  DyOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.8342
-	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	DyOH+2
+H2O + Dy+3 = DyOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.8342
+	-delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2
 #	Enthalpy of formation:	-216.5 kcal/mol
-        -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001
+        -analytic 7.0856e+1 1.2473e-2 -6.2419e+3 -2.4841e+1 -9.742e+1
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Dy+++  =  DyPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4
+HPO4-2 + Dy+3 = DyPO4 + H+
+        -llnl_gamma 3
+        log_k 0.1782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Dy+++  =  DySO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	DySO4+
+
+SO4-2 + Dy+3 = DySO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+
 #	Enthalpy of formation:	-379 kcal/mol
-        -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002
+        -analytic 3.0672e+2 8.6459e-2 -9.0386e+3 -1.2063e+2 -1.4113e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Er+++  =  Er(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-32.8026	kJ/mol	# Calculated enthalpy of reaction	Er(Acetate)2+
+2 HAcetate + Er+3 = Er(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9844
+	-delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+
 #	Enthalpy of formation:	-408.54 kcal/mol
-        -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005
+        -analytic -3.1458e+1 1.4715e-3 -1.0556e+3 9.1586e+0 6.1669e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Er+++  =  Er(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-55.187	kJ/mol	# Calculated enthalpy of reaction	Er(Acetate)3
+3 HAcetate + Er+3 = Er(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3783
+	-delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3
 #	Enthalpy of formation:	-529.99 kcal/mol
-        -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005
+        -analytic -2.1575e+1 5.974e-3 -2.0489e+3 3.3624e+0 8.8933e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Er+++  =  Er(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(CO3)2-
+2 HCO3- + Er+3 = Er(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.2576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Er+++  =  Er(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(HPO4)2-
+
+2 HPO4-2 + Er+3 = Er(HPO4)2-
+        -llnl_gamma 4
+        log_k 10
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with ErO2-
 #4.0000 H2O + 1.0000 Er+++  =  Er(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -32.5803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Er+++  =  Er(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(PO4)2-3
+
+2 HPO4-2 + Er+3 = Er(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.2437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Er+++  =  Er(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(SO4)2-
+
+2 SO4-2 + Er+3 = Er(SO4)2-
+        -llnl_gamma 4
+        log_k 5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Er+++ + 1.0000 HAcetate  =  ErAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-16.4013	kJ/mol	# Calculated enthalpy of reaction	ErAcetate+2
+
+Er+3 + HAcetate = ErAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1184
+	-delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2
 #	Enthalpy of formation:	-288.52 kcal/mol
-        -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005
+        -analytic -1.2519e+1 1.5558e-3 -8.5344e+2 3.5918e+0 3.4888e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Er+++  =  ErCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.1858
-	-delta_H	87.0188	kJ/mol	# Calculated enthalpy of reaction	ErCO3+
+HCO3- + Er+3 = ErCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.1858
+	-delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+
 #	Enthalpy of formation:	-312.6 kcal/mol
-        -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002
+        -analytic 2.3838e+2 5.4549e-2 -6.9433e+3 -9.4373e+1 -1.0841e+2
 #       -Range:  0-300
 
-1.0000 Er+++ + 1.0000 Cl-  =  ErCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	12.6901	kJ/mol	# Calculated enthalpy of reaction	ErCl+2
+Er+3 + Cl- = ErCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2
 #	Enthalpy of formation:	-205.4 kcal/mol
-        -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001
+        -analytic 7.4113e+1 3.7462e-2 -1.53e+3 -3.2257e+1 -2.3896e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Er+++  =  ErCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	15.3385	kJ/mol	# Calculated enthalpy of reaction	ErCl2+
+2 Cl- + Er+3 = ErCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+
 #	Enthalpy of formation:	-244.7 kcal/mol
-        -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001
+        -analytic 2.0259e+2 7.8907e-2 -4.8271e+3 -8.4835e+1 -7.5382e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Er+++  =  ErCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	5.01662	kJ/mol	# Calculated enthalpy of reaction	ErCl3
+3 Cl- + Er+3 = ErCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3
 #	Enthalpy of formation:	-287.1 kcal/mol
-        -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002
+        -analytic 3.9721e+2 1.2757e-1 -1.0045e+4 -1.6244e+2 -1.5686e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Er+++  =  ErCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-20.7861	kJ/mol	# Calculated enthalpy of reaction	ErCl4-
+4 Cl- + Er+3 = ErCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4-
 #	Enthalpy of formation:	-333.2 kcal/mol
-        -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002
+        -analytic 4.3471e+2 1.2627e-1 -1.0669e+4 -1.7677e+2 -1.666e+2
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Er+++  =  ErF++
-        -llnl_gamma           4.5    
-        log_k           +4.7352
-	-delta_H	24.058	kJ/mol	# Calculated enthalpy of reaction	ErF+2
+F- + Er+3 = ErF+2
+        -llnl_gamma 4.5
+        log_k 4.7352
+	-delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2
 #	Enthalpy of formation:	-242.9 kcal/mol
-        -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001
+        -analytic 9.7079e+1 4.1707e-2 -2.6028e+3 -3.8805e+1 -4.0643e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Er+++  =  ErF2+
-        -llnl_gamma           4.0    
-        log_k           +8.2976
-	-delta_H	12.9704	kJ/mol	# Calculated enthalpy of reaction	ErF2+
+2 F- + Er+3 = ErF2+
+        -llnl_gamma 4
+        log_k 8.2976
+	-delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+
 #	Enthalpy of formation:	-325.7 kcal/mol
-        -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001
+        -analytic 2.2892e+2 8.3842e-2 -5.2174e+3 -9.2172e+1 -8.1481e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Er+++  =  ErF3
-        -llnl_gamma           3.0    
-        log_k           +10.9071
-	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	ErF3
+3 F- + Er+3 = ErF3
+        -llnl_gamma 3
+        log_k 10.9071
+	-delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3
 #	Enthalpy of formation:	-411.9 kcal/mol
-        -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002
+        -analytic 4.2782e+2 1.3425e-1 -9.7064e+3 -1.7148e+2 -1.5158e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Er+++  =  ErF4-
-        -llnl_gamma           4.0    
-        log_k           +13.0768
-	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	ErF4-
+4 F- + Er+3 = ErF4-
+        -llnl_gamma 4
+        log_k 13.0768
+	-delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4-
 #	Enthalpy of formation:	-503.5 kcal/mol
-        -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002
+        -analytic 4.6524e+2 1.3372e-1 -9.1895e+3 -1.8636e+2 -1.4353e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++  =  ErH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	ErH2PO4+2
+HPO4-2 + H+ + Er+3 = ErH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2
 #	Enthalpy of formation:	-482.2 kcal/mol
-        -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000
+        -analytic 1.0254e+2 6.2786e-2 6.359e+2 -4.6029e+1 9.892e+0
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Er+++  =  ErHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	ErHCO3+2
+HCO3- + Er+3 = ErHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.7724
+	-delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2
 #	Enthalpy of formation:	-332.2 kcal/mol
-        -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000
+        -analytic 3.245e+1 3.0822e-2 3.1601e+2 -1.6528e+1 4.9212e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Er+++  =  ErHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErHPO4+
+HPO4-2 + Er+3 = ErHPO4+
+        -llnl_gamma 4
+        log_k 5.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Er+++  =  ErNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.1415
-	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	ErNO3+2
+
+NO3- + Er+3 = ErNO3+2
+        -llnl_gamma 4.5
+        log_k 0.1415
+	-delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2
 #	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001
+        -analytic 1.0381e+1 2.471e-2 2.5752e+3 -1.0596e+1 4.0181e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Er+++  =  ErO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.9705
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	ErO+
+H2O + Er+3 = ErO+ + 2 H+
+        -llnl_gamma 4
+        log_k -15.9705
+	-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+
 #	Enthalpy of formation:	-211.6 kcal/mol
-        -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002
+        -analytic 1.7556e+2 2.8655e-2 -1.3134e+4 -6.305e+1 -2.0499e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Er+++  =  ErO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6008
-	-delta_H	266.245	kJ/mol	# Calculated enthalpy of reaction	ErO2-
+2 H2O + Er+3 = ErO2- + 4 H+
+        -llnl_gamma 4
+        log_k -32.6008
+	-delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2-
 #	Enthalpy of formation:	-241.5 kcal/mol
-        -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002
+        -analytic 1.4987e+2 9.1241e-3 -1.8521e+4 -4.974e+1 -2.8905e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Er+++  =  ErO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.3178
-	-delta_H	212.689	kJ/mol	# Calculated enthalpy of reaction	ErO2H
+2 H2O + Er+3 = ErO2H + 3 H+
+        -llnl_gamma 3
+        log_k -24.3178
+	-delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H
 #	Enthalpy of formation:	-254.3 kcal/mol
-        -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002
+        -analytic 3.1493e+2 4.4381e-2 -2.1821e+4 -1.1287e+2 -3.4059e+2
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Er+++  =  ErOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.7609
-	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	ErOH+2
+H2O + Er+3 = ErOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.7609
+	-delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2
 #	Enthalpy of formation:	-219 kcal/mol
-        -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001
+        -analytic 5.7142e+1 1.0986e-2 -5.6684e+3 -1.9867e+1 -8.8467e+1
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Er+++  =  ErPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.3782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4
+HPO4-2 + Er+3 = ErPO4 + H+
+        -llnl_gamma 3
+        log_k 0.3782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Er+++  =  ErSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	20.3008	kJ/mol	# Calculated enthalpy of reaction	ErSO4+
+
+SO4-2 + Er+3 = ErSO4+
+        -llnl_gamma 4
+        log_k 3.5697
+	-delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+
 #	Enthalpy of formation:	-381.048 kcal/mol
-        -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002
+        -analytic 3.0363e+2 8.5667e-2 -8.9667e+3 -1.1942e+2 -1.4001e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Eu+++  =  Eu(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.6912
-	-delta_H	-28.3257	kJ/mol	# Calculated enthalpy of reaction	Eu(Acetate)2+
+2 HAcetate + Eu+3 = Eu(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.6912
+	-delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+
 #	Enthalpy of formation:	-383.67 kcal/mol
-        -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005
+        -analytic -2.7589e+1 1.5772e-3 -1.1008e+3 7.9899e+0 5.6652e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Eu+++  =  Eu(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9824
-	-delta_H	-47.3629	kJ/mol	# Calculated enthalpy of reaction	Eu(Acetate)3
+3 HAcetate + Eu+3 = Eu(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -7.9824
+	-delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3
 #	Enthalpy of formation:	-504.32 kcal/mol
-        -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005
+        -analytic -3.747e+1 1.9276e-3 -1.0318e+3 9.7078e+0 7.4558e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.3993
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)2-
+2 HCO3- + Eu+3 = Eu(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.3993
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 Eu+++  =  Eu(CO3)3--- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.8155
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(CO3)3-3
+
+3 HCO3- + Eu+3 = Eu(CO3)3-3 + 3 H+
+        -llnl_gamma 4
+        log_k -16.8155
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(HPO4)2-
+
+2 HPO4-2 + Eu+3 = Eu(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with EuO+
 #2.0000 H2O + 1.0000 Eu+++  =  Eu(OH)2+ +2.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -14.8609
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2+
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++  =  Eu(OH)2CO3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.8462
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2CO3-
+
+2 H2O + HCO3- + Eu+3 = Eu(OH)2CO3- + 3 H+
+        -llnl_gamma 4
+        log_k -17.8462
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with EuO2H
 #3.0000 H2O + 1.0000 Eu+++  =  Eu(OH)3 +3.0000 H+
-#        -llnl_gamma           3.0    
+#        -llnl_gamma           3.0
 #        log_k           -24.1253
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)3
 ##	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with EuO2-
 #4.0000 H2O + 1.0000 Eu+++  =  Eu(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -36.5958
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)4-
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Eu+++  =  Eu(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(PO4)2-3
+
+2 HPO4-2 + Eu+3 = Eu(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.9837
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Eu+++  =  Eu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.4693
-	-delta_H	25.627	kJ/mol	# Calculated enthalpy of reaction	Eu(SO4)2-
+
+2 SO4-2 + Eu+3 = Eu(SO4)2-
+        -llnl_gamma 4
+        log_k 5.4693
+	-delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2-
 #	Enthalpy of formation:	-2399 kJ/mol
-        -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002
+        -analytic 4.5178e+2 1.2285e-1 -1.34e+4 -1.7697e+2 -2.0922e+2
 #       -Range:  0-300
 
-2.0000 H2O + 2.0000 Eu+++  =  Eu2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -6.9182
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu2(OH)2+4
+2 H2O + 2 Eu+3 = Eu2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -6.9182
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 Br-  =  EuBr++
-        -llnl_gamma           4.5    
-        log_k           +0.5572
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr+2
+
+Eu+3 + Br- = EuBr+2
+        -llnl_gamma 4.5
+        log_k 0.5572
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Eu+++  =  EuBr2+
-        -llnl_gamma           4.0    
-        log_k           +0.2145
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBr2+
+
+2 Br- + Eu+3 = EuBr2+
+        -llnl_gamma 4
+        log_k 0.2145
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 BrO3-  =  EuBrO3++
-        -llnl_gamma           4.5    
-        log_k           +4.5823
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuBrO3+2
+
+Eu+3 + BrO3- = EuBrO3+2
+        -llnl_gamma 4.5
+        log_k 4.5823
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Eu+++ + 1.0000 HAcetate  =  EuAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.9571
-	-delta_H	-14.5603	kJ/mol	# Calculated enthalpy of reaction	EuAcetate+2
+
+Eu+3 + HAcetate = EuAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -1.9571
+	-delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2
 #	Enthalpy of formation:	-264.28 kcal/mol
-        -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005
+        -analytic -1.509e+1 1.0352e-3 -6.4435e+2 4.6225e+0 3.1649e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Eu+++  =  EuCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4057
-	-delta_H	90.7844	kJ/mol	# Calculated enthalpy of reaction	EuCO3+
+HCO3- + Eu+3 = EuCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.4057
+	-delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+
 #	Enthalpy of formation:	-287.9 kcal/mol
-        -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002
+        -analytic 2.3548e+2 5.3819e-2 -6.9908e+3 -9.3137e+1 -1.0915e+2
 #       -Range:  0-300
 
-1.0000 Eu++ + 1.0000 Cl-  =  EuCl+
-        -llnl_gamma           4.0    
-        log_k           +0.3819
-	-delta_H	8.50607	kJ/mol	# Calculated enthalpy of reaction	EuCl+
+Eu+2 + Cl- = EuCl+
+        -llnl_gamma 4
+        log_k 0.3819
+	-delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+
 #	Enthalpy of formation:	-164 kcal/mol
-        -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001
+        -analytic 6.8695e+1 3.7619e-2 -1.0809e+3 -3.0665e+1 -1.6887e+1
 #       -Range:  0-300
 
-1.0000 Eu+++ + 1.0000 Cl-  =  EuCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	EuCl+2
+Eu+3 + Cl- = EuCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2
 #	Enthalpy of formation:	-181.3 kcal/mol
-        -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001
+        -analytic 7.9275e+1 3.7878e-2 -1.7895e+3 -3.4041e+1 -2.7947e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Eu++  =  EuCl2
-        -llnl_gamma           3.0    
-        log_k           +1.2769
-	-delta_H	5.71534	kJ/mol	# Calculated enthalpy of reaction	EuCl2
+2 Cl- + Eu+2 = EuCl2
+        -llnl_gamma 3
+        log_k 1.2769
+	-delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2
 #	Enthalpy of formation:	-204.6 kcal/mol
-        -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001
+        -analytic 1.0474e+2 6.7132e-2 -7.0448e+2 -4.8928e+1 -1.1024e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Eu+++  =  EuCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	18.6857	kJ/mol	# Calculated enthalpy of reaction	EuCl2+
+2 Cl- + Eu+3 = EuCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+
 #	Enthalpy of formation:	-220.1 kcal/mol
-        -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001
+        -analytic 2.1758e+2 8.0336e-2 -5.5499e+3 -9.0087e+1 -8.6665e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Eu+++  =  EuCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	11.2926	kJ/mol	# Calculated enthalpy of reaction	EuCl3
+3 Cl- + Eu+3 = EuCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3
 #	Enthalpy of formation:	-261.8 kcal/mol
-        -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002
+        -analytic 4.2075e+2 1.289e-1 -1.1288e+4 -1.7043e+2 -1.7627e+2
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Eu++  =  EuCl3-
-        -llnl_gamma           4.0    
-        log_k           +2.0253
-	-delta_H	-3.76978	kJ/mol	# Calculated enthalpy of reaction	EuCl3-
+3 Cl- + Eu+2 = EuCl3-
+        -llnl_gamma 4
+        log_k 2.0253
+	-delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3-
 #	Enthalpy of formation:	-246.8 kcal/mol
-        -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001
+        -analytic 1.1546e+1 6.4683e-2 3.7299e+3 -1.6672e+1 5.8196e+1
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Eu+++  =  EuCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-9.90771	kJ/mol	# Calculated enthalpy of reaction	EuCl4-
+4 Cl- + Eu+3 = EuCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4-
 #	Enthalpy of formation:	-306.8 kcal/mol
-        -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002
+        -analytic 4.8122e+2 1.3081e-1 -1.295e+4 -1.9302e+2 -2.0222e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Eu++  =  EuCl4--
-        -llnl_gamma           4.0    
-        log_k           +2.8470
-	-delta_H	-19.9493	kJ/mol	# Calculated enthalpy of reaction	EuCl4-2
+4 Cl- + Eu+2 = EuCl4-2
+        -llnl_gamma 4
+        log_k 2.847
+	-delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2
 #	Enthalpy of formation:	-290.6 kcal/mol
-        -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002
+        -analytic -1.2842e+2 5.0789e-2 9.8815e+3 3.3565e+1 1.5423e+2
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Eu++  =  EuF+
-        -llnl_gamma           4.0    
-        log_k           -1.3487
-	-delta_H	16.9452	kJ/mol	# Calculated enthalpy of reaction	EuF+
+F- + Eu+2 = EuF+
+        -llnl_gamma 4
+        log_k -1.3487
+	-delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+
 #	Enthalpy of formation:	-202.2 kcal/mol
-        -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001
+        -analytic 6.2412e+1 3.5839e-2 -1.366e+3 -2.8223e+1 -2.1333e+1
 #       -Range:  0-300
 
-1.0000 F- + 1.0000 Eu+++  =  EuF++
-        -llnl_gamma           4.5    
-        log_k           +4.4420
-	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	EuF+2
+F- + Eu+3 = EuF+2
+        -llnl_gamma 4.5
+        log_k 4.442
+	-delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2
 #	Enthalpy of formation:	-219.2 kcal/mol
-        -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001
+        -analytic 1.0063e+2 4.1834e-2 -2.7355e+3 -4.0195e+1 -4.2714e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Eu++  =  EuF2
-        -llnl_gamma           3.0    
-        log_k           -2.0378
-	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	EuF2
+2 F- + Eu+2 = EuF2
+        -llnl_gamma 3
+        log_k -2.0378
+	-delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2
 #	Enthalpy of formation:	-282.2 kcal/mol
-        -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001
+        -analytic 1.2065e+2 7.1705e-2 -1.7998e+3 -5.576e+1 -2.8121e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Eu+++  =  EuF2+
-        -llnl_gamma           4.0    
-        log_k           +7.7112
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	EuF2+
+2 F- + Eu+3 = EuF2+
+        -llnl_gamma 4
+        log_k 7.7112
+	-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+
 #	Enthalpy of formation:	-301.7 kcal/mol
-        -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001
+        -analytic 2.4099e+2 8.4714e-2 -5.7702e+3 -9.664e+1 -9.0109e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Eu+++  =  EuF3
-        -llnl_gamma           3.0    
-        log_k           +10.1741
-	-delta_H	-8.9956	kJ/mol	# Calculated enthalpy of reaction	EuF3
+3 F- + Eu+3 = EuF3
+        -llnl_gamma 3
+        log_k 10.1741
+	-delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3
 #	Enthalpy of formation:	-387.3 kcal/mol
-        -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002
+        -analytic 4.5022e+2 1.356e-1 -1.0801e+4 -1.7951e+2 -1.6867e+2
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Eu++  =  EuF3-
-        -llnl_gamma           4.0    
-        log_k           -2.5069
-	-delta_H	3.5564	kJ/mol	# Calculated enthalpy of reaction	EuF3-
+3 F- + Eu+2 = EuF3-
+        -llnl_gamma 4
+        log_k -2.5069
+	-delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3-
 #	Enthalpy of formation:	-365.7 kcal/mol
-        -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001
+        -analytic -2.8441e+1 5.5972e-2 4.4573e+3 -2.2782e+0 6.9558e+1
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Eu+++  =  EuF4-
-        -llnl_gamma           4.0    
-        log_k           +12.1239
-	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	EuF4-
+4 F- + Eu+3 = EuF4-
+        -llnl_gamma 4
+        log_k 12.1239
+	-delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4-
 #	Enthalpy of formation:	-477.8 kcal/mol
-        -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002
+        -analytic 5.0246e+2 1.3629e-1 -1.1092e+4 -1.9952e+2 -1.7323e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Eu++  =  EuF4--
-        -llnl_gamma           4.0    
-        log_k           -2.8294
-	-delta_H	-37.656	kJ/mol	# Calculated enthalpy of reaction	EuF4-2
+4 F- + Eu+2 = EuF4-2
+        -llnl_gamma 4
+        log_k -2.8294
+	-delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2
 #	Enthalpy of formation:	-455.7 kcal/mol
-        -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002
+        -analytic -1.873e+2 3.9237e-2 1.2303e+4 5.3179e+1 1.9204e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++  =  EuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-17.0916	kJ/mol	# Calculated enthalpy of reaction	EuH2PO4+2
+HPO4-2 + H+ + Eu+3 = EuH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2
 #	Enthalpy of formation:	-457.6 kcal/mol
-        -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000
+        -analytic 1.0873e+2 6.3416e-2 2.7202e+2 -4.8113e+1 4.2122e+0
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Eu+++  =  EuHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6258
-	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	EuHCO3+2
+HCO3- + Eu+3 = EuHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.6258
+	-delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2
 #	Enthalpy of formation:	-307.5 kcal/mol
-        -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000
+        -analytic 3.9266e+1 3.1608e-2 -9.8731e+1 -1.8875e+1 -1.5524e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Eu+++  =  EuHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuHPO4+
+HPO4-2 + Eu+3 = EuHPO4+
+        -llnl_gamma 4
+        log_k 5.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 IO3- + 1.0000 Eu+++  =  EuIO3++
-        -llnl_gamma           4.5    
-        log_k           +2.1560
-	-delta_H	11.8314	kJ/mol	# Calculated enthalpy of reaction	EuIO3+2
+
+IO3- + Eu+3 = EuIO3+2
+        -llnl_gamma 4.5
+        log_k 2.156
+	-delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2
 #	Enthalpy of formation:	-814.927 kJ/mol
-        -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001
+        -analytic 1.497e+2 4.7369e-2 -4.1559e+3 -5.9687e+1 -6.4893e+1
 #       -Range:  0-300
 
-1.0000 NO3- + 1.0000 Eu+++  =  EuNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.8745
-	-delta_H	-32.0955	kJ/mol	# Calculated enthalpy of reaction	EuNO3+2
+NO3- + Eu+3 = EuNO3+2
+        -llnl_gamma 4.5
+        log_k 0.8745
+	-delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2
 #	Enthalpy of formation:	-201.8 kcal/mol
-        -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001
+        -analytic 1.7398e+1 2.5467e-2 2.2683e+3 -1.281e+1 3.5389e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Eu+++  =  EuO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.337
-	-delta_H	110.947	kJ/mol	# Calculated enthalpy of reaction	EuO+
+H2O + Eu+3 = EuO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.337
+	-delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+
 #	Enthalpy of formation:	-186.5 kcal/mol
-        -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002
+        -analytic 1.8876e+2 3.0194e-2 -1.3836e+4 -6.777e+1 -2.1595e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Eu+++  =  EuO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.5066
-	-delta_H	281.307	kJ/mol	# Calculated enthalpy of reaction	EuO2-
+2 H2O + Eu+3 = EuO2- + 4 H+
+        -llnl_gamma 4
+        log_k -34.5066
+	-delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2-
 #	Enthalpy of formation:	-214.1 kcal/mol
-        -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005
+        -analytic 7.5244e+1 3.7089e-4 -1.3587e+4 -2.3859e+1 -4.6713e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Eu+++  =  EuO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.4173
-	-delta_H	222.313	kJ/mol	# Calculated enthalpy of reaction	EuO2H
+2 H2O + Eu+3 = EuO2H + 3 H+
+        -llnl_gamma 3
+        log_k -25.4173
+	-delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H
 #	Enthalpy of formation:	-228.2 kcal/mol
-        -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002
+        -analytic 3.6754e+2 5.3868e-2 -2.4034e+4 -1.3272e+2 -3.7514e+2
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOH(CO3)2-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.176
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOH(CO3)2-2
+2 HCO3- + H2O + Eu+3 = EuOH(CO3)2-2 + 3 H+
+        -llnl_gamma 4
+        log_k -15.176
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Eu+++  =  EuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9075
-	-delta_H	78.0065	kJ/mol	# Calculated enthalpy of reaction	EuOH+2
+
+H2O + Eu+3 = EuOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.9075
+	-delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2
 #	Enthalpy of formation:	-194.373 kcal/mol
-        -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001
+        -analytic 6.7691e+1 1.2066e-2 -6.1871e+3 -2.3617e+1 -9.6563e+1
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++  =  EuOHCO3 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.4941
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
+HCO3- + H2O + Eu+3 = EuOHCO3 + 2 H+
+        -llnl_gamma 3
+        log_k -8.4941
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Eu+++  =  EuPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4
+
+HPO4-2 + Eu+3 = EuPO4 + H+
+        -llnl_gamma 3
+        log_k -0.1218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Eu+++  =  EuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	62.3416	kJ/mol	# Calculated enthalpy of reaction	EuSO4+
+
+SO4-2 + Eu+3 = EuSO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+
 #	Enthalpy of formation:	-347.2 kcal/mol
-        -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002
+        -analytic 3.0587e+2 8.6208e-2 -9.0387e+3 -1.2026e+2 -1.4113e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Fe++  =  Fe(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.0295
-	-delta_H	-20.2924	kJ/mol	# Calculated enthalpy of reaction	Fe(Acetate)2
+2 HAcetate + Fe+2 = Fe(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.0295
+	-delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2
 #	Enthalpy of formation:	-259.1 kcal/mol
-        -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005
+        -analytic -2.9862e+1 1.3901e-3 -1.6908e+3 8.6283e+0 6.0125e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Fe++  =  Fe(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -20.6
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2
+2 H2O + Fe+2 = Fe(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -20.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Fe+++  =  Fe(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)2+
+
+2 H2O + Fe+3 = Fe(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -5.67
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Fe+++  =  Fe(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -12
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3
+
+3 H2O + Fe+3 = Fe(OH)3 + 3 H+
+        -llnl_gamma 3
+        log_k -12
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Fe++  =  Fe(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)3-
+
+3 H2O + Fe+2 = Fe(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -31
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Fe+++  =  Fe(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.6
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-
+
+4 H2O + Fe+3 = Fe(OH)4- + 4 H+
+        -llnl_gamma 4
+        log_k -21.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Fe++  =  Fe(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -46
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(OH)4-2
+
+4 H2O + Fe+2 = Fe(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -46
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Fe+++  =  Fe(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +3.2137
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe(SO4)2-
+
+2 SO4-2 + Fe+3 = Fe(SO4)2-
+        -llnl_gamma 4
+        log_k 3.2137
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 2.0000 Fe+++  =  Fe2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -2.95
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe2(OH)2+4
+
+2 H2O + 2 Fe+3 = Fe2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -2.95
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Fe+++  =  Fe3(OH)4+5 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -6.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Fe3(OH)4+5
+
+4 H2O + 3 Fe+3 = Fe3(OH)4+5 + 4 H+
+        -llnl_gamma 6
+        log_k -6.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Fe++ + 1.0000 HAcetate  =  FeAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4671
-	-delta_H	-3.80744	kJ/mol	# Calculated enthalpy of reaction	FeAcetate+
+
+Fe+2 + HAcetate = FeAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.4671
+	-delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+
 #	Enthalpy of formation:	-139.06 kcal/mol
-        -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005
+        -analytic -1.3781e+1 9.6253e-4 -7.531e+2 4.0135e+0 2.3416e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Fe++  =  FeCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.5988
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCO3
+HCO3- + Fe+2 = FeCO3 + H+
+        -llnl_gamma 3
+        log_k -5.5988
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Fe+++  =  FeCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.6088
-	-delta_H	-50.208	kJ/mol	# Calculated enthalpy of reaction	FeCO3+
+
+HCO3- + Fe+3 = FeCO3+ + H+
+        -llnl_gamma 4
+        log_k -0.6088
+	-delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+
 #	Enthalpy of formation:	-188.748 kcal/mol
-        -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000
+        -analytic 1.71e+2 8.0413e-2 -4.3217e+2 -7.8449e+1 -6.7948e+0
 #       -Range:  0-300
 
-1.0000 Fe++ + 1.0000 Cl-  =  FeCl+
-        -llnl_gamma           4.0    
-        log_k           -0.1605
-	-delta_H	3.02503	kJ/mol	# Calculated enthalpy of reaction	FeCl+
+Fe+2 + Cl- = FeCl+
+        -llnl_gamma 4
+        log_k -0.1605
+	-delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+
 #	Enthalpy of formation:	-61.26 kcal/mol
-        -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001
+        -analytic 8.2435e+1 3.7755e-2 -1.4765e+3 -3.5918e+1 -2.3064e+1
 #       -Range:  0-300
 
-1.0000 Fe+++ + 1.0000 Cl-  =  FeCl++
-        -llnl_gamma           4.5    
-        log_k           -0.8108
-	-delta_H	36.6421	kJ/mol	# Calculated enthalpy of reaction	FeCl+2
+Fe+3 + Cl- = FeCl+2
+        -llnl_gamma 4.5
+        log_k -0.8108
+	-delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2
 #	Enthalpy of formation:	-180.018 kJ/mol
-        -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001
+        -analytic 1.6186e+2 5.9436e-2 -5.1913e+3 -6.5852e+1 -8.1053e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Fe++  =  FeCl2
-        -llnl_gamma           3.0    
-        log_k           -2.4541
-	-delta_H	6.46846	kJ/mol	# Calculated enthalpy of reaction	FeCl2
+2 Cl- + Fe+2 = FeCl2
+        -llnl_gamma 3
+        log_k -2.4541
+	-delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2
 #	Enthalpy of formation:	-100.37 kcal/mol
-        -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001
+        -analytic 1.9171e+2 7.807e-2 -4.1048e+3 -8.2292e+1 -6.4108e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Fe+++  =  FeCl2+
-        -llnl_gamma           4.0    
-        log_k           +2.1300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl2+
+2 Cl- + Fe+3 = FeCl2+
+        -llnl_gamma 4
+        log_k 2.13
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Fe+++  =  FeCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.79
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-
+
+4 Cl- + Fe+3 = FeCl4-
+        -llnl_gamma 4
+        log_k -0.79
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Fe++  =  FeCl4--
-        -llnl_gamma           4.0    
-        log_k           -1.9
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeCl4-2
+
+4 Cl- + Fe+2 = FeCl4-2
+        -llnl_gamma 4
+        log_k -1.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002
+        -analytic -2.4108e+2 -6.0086e-3 9.7979e+3 8.4084e+1 1.5296e+2
 #       -Range:  0-300
 
-1.0000 Fe++ + 1.0000 F-  =  FeF+
-        -llnl_gamma           4.0    
-        log_k           +1.3600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeF+
+Fe+2 + F- = FeF+
+        -llnl_gamma 4
+        log_k 1.36
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Fe+++ + 1.0000 F-  =  FeF++
-        -llnl_gamma           4.5    
-        log_k           +4.1365
-	-delta_H	14.327	kJ/mol	# Calculated enthalpy of reaction	FeF+2
+
+Fe+3 + F- = FeF+2
+        -llnl_gamma 4.5
+        log_k 4.1365
+	-delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2
 #	Enthalpy of formation:	-370.601 kJ/mol
-        -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001
+        -analytic 1.7546e+2 6.3754e-2 -4.3166e+3 -7.1052e+1 -6.7408e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Fe+++  =  FeF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3498
-	-delta_H	23.9776	kJ/mol	# Calculated enthalpy of reaction	FeF2+
+2 F- + Fe+3 = FeF2+
+        -llnl_gamma 4
+        log_k 8.3498
+	-delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+
 #	Enthalpy of formation:	-696.298 kJ/mol
-        -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002
+        -analytic 2.908e+2 1.0393e-1 -7.2118e+3 -1.1688e+2 -1.1262e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++  =  FeH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +2.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+
+HPO4-2 + H+ + Fe+2 = FeH2PO4+
+        -llnl_gamma 4
+        log_k 2.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++  =  FeH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +4.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeH2PO4+2
+
+HPO4-2 + H+ + Fe+3 = FeH2PO4+2
+        -llnl_gamma 4.5
+        log_k 4.17
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HCO3- + 1.0000 Fe++  =  FeHCO3+
-        -llnl_gamma           4.0    
-        log_k           +2.7200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHCO3+
+
+HCO3- + Fe+2 = FeHCO3+
+        -llnl_gamma 4
+        log_k 2.72
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe++  =  FeHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4
+
+HPO4-2 + Fe+2 = FeHPO4
+        -llnl_gamma 3
+        log_k 3.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe+++  =  FeHPO4+
-        -llnl_gamma           4.0    
-        log_k           +10.1800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeHPO4+
+
+HPO4-2 + Fe+3 = FeHPO4+
+        -llnl_gamma 4
+        log_k 10.18
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO2- + 1.0000 Fe+++  =  FeNO2++
-        -llnl_gamma           4.5    
-        log_k           +3.1500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO2+2
+
+NO2- + Fe+3 = FeNO2+2
+        -llnl_gamma 4.5
+        log_k 3.15
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Fe+++  =  FeNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeNO3+2
+
+NO3- + Fe+3 = FeNO3+2
+        -llnl_gamma 4.5
+        log_k 1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Fe++  =  FeOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.5
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+
+
+H2O + Fe+2 = FeOH+ + H+
+        -llnl_gamma 4
+        log_k -9.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2O + 1.0000 Fe+++  =  FeOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.19
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeOH+2
+
+H2O + Fe+3 = FeOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.19
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 Fe++  =  FePO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3918
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FePO4-
+
+HPO4-2 + Fe+2 = FePO4- + H+
+        -llnl_gamma 4
+        log_k -4.3918
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FePO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Fe++  =  FeSO4
-        -llnl_gamma           3.0    
-        log_k           +2.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	FeSO4
+
+SO4-2 + Fe+2 = FeSO4
+        -llnl_gamma 3
+        log_k 2.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Fe+++  =  FeSO4+
-        -llnl_gamma           4.0    
-        log_k           +1.9276
-	-delta_H	27.181	kJ/mol	# Calculated enthalpy of reaction	FeSO4+
+
+SO4-2 + Fe+3 = FeSO4+
+        -llnl_gamma 4
+        log_k 1.9276
+	-delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+
 #	Enthalpy of formation:	-932.001 kJ/mol
-        -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001
+        -analytic 2.5178e+2 1.008e-1 -6.0977e+3 -1.0483e+2 -9.5223e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Gd+++  =  Gd(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-22.3426	kJ/mol	# Calculated enthalpy of reaction	Gd(Acetate)2+
+2 HAcetate + Gd+3 = Gd(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9625
+	-delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+
 #	Enthalpy of formation:	-401.74 kcal/mol
-        -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005
+        -analytic -4.3124e+1 1.2995e-4 -4.3494e+2 1.3677e+1 5.1224e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Gd+++  =  Gd(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-37.9907	kJ/mol	# Calculated enthalpy of reaction	Gd(Acetate)3
+3 HAcetate + Gd+3 = Gd(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3489
+	-delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3
 #	Enthalpy of formation:	-521.58 kcal/mol
-        -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005
+        -analytic -8.8296e+1 -5.0939e-3 1.2268e+3 2.8513e+1 6.0745e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Gd+++  =  Gd(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.5576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(CO3)2-
+2 HCO3- + Gd+3 = Gd(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.5576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(HPO4)2-
+
+2 HPO4-2 + Gd+3 = Gd(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with GdO2-
 #4.0000 H2O + 1.0000 Gd+++  =  Gd(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -33.8803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)4-
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Gd+++  =  Gd(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(PO4)2-3
+
+2 HPO4-2 + Gd+3 = Gd(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.9437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Gd+++  =  Gd(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(SO4)2-
+
+2 SO4-2 + Gd+3 = Gd(SO4)2-
+        -llnl_gamma 4
+        log_k 5.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Gd+++ + 1.0000 HAcetate  =  GdAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-11.7152	kJ/mol	# Calculated enthalpy of reaction	GdAcetate+2
+
+Gd+3 + HAcetate = GdAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1037
+	-delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2
 #	Enthalpy of formation:	-283.1 kcal/mol
-        -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005
+        -analytic -1.4118e+1 1.666e-3 -7.5206e+2 4.2614e+0 3.1187e+5
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Gd+++  =  GdCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.479
-	-delta_H	89.9476	kJ/mol	# Calculated enthalpy of reaction	GdCO3+
+HCO3- + Gd+3 = GdCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.479
+	-delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+
 #	Enthalpy of formation:	-307.6 kcal/mol
-        -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002
+        -analytic 2.3628e+2 5.41e-2 -7.0746e+3 -9.3413e+1 -1.1046e+2
 #       -Range:  0-300
 
-1.0000 Gd+++ + 1.0000 Cl-  =  GdCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	GdCl+2
+Gd+3 + Cl- = GdCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2
 #	Enthalpy of formation:	-200.6 kcal/mol
-        -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001
+        -analytic 8.075e+1 3.8524e-2 -1.8591e+3 -3.4621e+1 -2.9034e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Gd+++  =  GdCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	21.1961	kJ/mol	# Calculated enthalpy of reaction	GdCl2+
+2 Cl- + Gd+3 = GdCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+
 #	Enthalpy of formation:	-239 kcal/mol
-        -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001
+        -analytic 2.1754e+2 8.0996e-2 -5.6121e+3 -9.0067e+1 -8.7635e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Gd+++  =  GdCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	15.895	kJ/mol	# Calculated enthalpy of reaction	GdCl3
+3 Cl- + Gd+3 = GdCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3
 #	Enthalpy of formation:	-280.2 kcal/mol
-        -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002
+        -analytic 4.1398e+2 1.2829e-1 -1.123e+4 -1.677e+2 -1.7535e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Gd+++  =  GdCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-1.53971	kJ/mol	# Calculated enthalpy of reaction	GdCl4-
+4 Cl- + Gd+3 = GdCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4-
 #	Enthalpy of formation:	-324.3 kcal/mol
-        -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002
+        -analytic 4.7684e+2 1.3157e-1 -1.3068e+4 -1.9118e+2 -2.0405e+2
 #       -Range:  0-300
 
-1.0000 Gd+++ + 1.0000 F-  =  GdF++
-        -llnl_gamma           4.5    
-        log_k           +4.5886
-	-delta_H	21.1292	kJ/mol	# Calculated enthalpy of reaction	GdF+2
+Gd+3 + F- = GdF+2
+        -llnl_gamma 4.5
+        log_k 4.5886
+	-delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2
 #	Enthalpy of formation:	-239.3 kcal/mol
-        -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001
+        -analytic 1.006e+2 4.2181e-2 -2.6024e+3 -4.0347e+1 -4.0637e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Gd+++  =  GdF2+
-        -llnl_gamma           4.0    
-        log_k           +7.9311
-	-delta_H	11.2968	kJ/mol	# Calculated enthalpy of reaction	GdF2+
+2 F- + Gd+3 = GdF2+
+        -llnl_gamma 4
+        log_k 7.9311
+	-delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+
 #	Enthalpy of formation:	-321.8 kcal/mol
-        -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001
+        -analytic 2.3793e+2 8.4732e-2 -5.495e+3 -9.5689e+1 -8.5815e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Gd+++  =  GdF3
-        -llnl_gamma           3.0    
-        log_k           +10.4673
-	-delta_H	-11.506	kJ/mol	# Calculated enthalpy of reaction	GdF3
+3 F- + Gd+3 = GdF3
+        -llnl_gamma 3
+        log_k 10.4673
+	-delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3
 #	Enthalpy of formation:	-407.4 kcal/mol
-        -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002
+        -analytic 4.4257e+2 1.35e-1 -1.0377e+4 -1.768e+2 -1.6205e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Gd+++  =  GdF4-
-        -llnl_gamma           4.0    
-        log_k           +12.4904
-	-delta_H	-52.3	kJ/mol	# Calculated enthalpy of reaction	GdF4-
+4 F- + Gd+3 = GdF4-
+        -llnl_gamma 4
+        log_k 12.4904
+	-delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4-
 #	Enthalpy of formation:	-497.3 kcal/mol
-        -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002
+        -analytic 4.9026e+2 1.3534e-1 -1.0586e+4 -1.9501e+2 -1.6533e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++  =  GdH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-14.9996	kJ/mol	# Calculated enthalpy of reaction	GdH2PO4+2
+HPO4-2 + H+ + Gd+3 = GdH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2
 #	Enthalpy of formation:	-476.6 kcal/mol
-        -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000
+        -analytic 1.1058e+2 6.4124e-2 1.3451e+2 -4.8758e+1 2.066e+0
 #       -Range:  0-300
 
-1.0000 HCO3- + 1.0000 Gd+++  =  GdHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	10.0332	kJ/mol	# Calculated enthalpy of reaction	GdHCO3+2
+HCO3- + Gd+3 = GdHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.6991
+	-delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2
 #	Enthalpy of formation:	-326.7 kcal/mol
-        -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000
+        -analytic 4.1973e+1 3.2521e-2 -2.3475e+2 -1.9864e+1 -3.6757e+0
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Gd+++  =  GdHPO4+
-        -llnl_gamma           4.0    
-        log_k           -185.109
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdHPO4+
+HPO4-2 + Gd+3 = GdHPO4+
+        -llnl_gamma 4
+        log_k -185.109
+	-delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Gd+++  =  GdNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.4347
-	-delta_H	-25.8195	kJ/mol	# Calculated enthalpy of reaction	GdNO3+2
+
+NO3- + Gd+3 = GdNO3+2
+        -llnl_gamma 4.5
+        log_k 0.4347
+	-delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2
 #	Enthalpy of formation:	-219.8 kcal/mol
-        -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001
+        -analytic 2.0253e+1 2.6372e-2 1.8785e+3 -1.3723e+1 2.9306e+1
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Gd+++  =  GdO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.337
-	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	GdO+
+H2O + Gd+3 = GdO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.337
+	-delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+
 #	Enthalpy of formation:	-205.5 kcal/mol
-        -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002
+        -analytic 2.0599e+2 3.2521e-2 -1.4547e+4 -7.4048e+1 -2.2705e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Gd+++  =  GdO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.4333
-	-delta_H	283.817	kJ/mol	# Calculated enthalpy of reaction	GdO2-
+2 H2O + Gd+3 = GdO2- + 4 H+
+        -llnl_gamma 4
+        log_k -34.4333
+	-delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2-
 #	Enthalpy of formation:	-233 kcal/mol
-        -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005
+        -analytic 1.2067e+2 6.6276e-3 -1.5531e+4 -4.0448e+1 -4.3587e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Gd+++  =  GdO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.2707
-	-delta_H	224.405	kJ/mol	# Calculated enthalpy of reaction	GdO2H
+2 H2O + Gd+3 = GdO2H + 3 H+
+        -llnl_gamma 3
+        log_k -25.2707
+	-delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H
 #	Enthalpy of formation:	-247.2 kcal/mol
-        -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002
+        -analytic 3.6324e+2 4.7938e-2 -2.4275e+4 -1.2988e+2 -3.7889e+2
 #       -Range:  0-300
 
-1.0000 H2O + 1.0000 Gd+++  =  GdOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9075
-	-delta_H	79.9855	kJ/mol	# Calculated enthalpy of reaction	GdOH+2
+H2O + Gd+3 = GdOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.9075
+	-delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2
 #	Enthalpy of formation:	-213.4 kcal/mol
-        -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002
+        -analytic 8.3265e+1 1.4153e-2 -6.8229e+3 -2.9301e+1 -1.0649e+2
 #       -Range:  0-300
 
-1.0000 HPO4-- + 1.0000 Gd+++  =  GdPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.1218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4
+HPO4-2 + Gd+3 = GdPO4 + H+
+        -llnl_gamma 3
+        log_k -0.1218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Gd+++  =  GdSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	GdSO4+
+
+SO4-2 + Gd+3 = GdSO4+
+        -llnl_gamma 4
+        log_k -3.687
+	-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+
 #	Enthalpy of formation:	-376.8 kcal/mol
-        -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002
+        -analytic 3.0783e+2 8.6798e-2 -1.1246e+4 -1.2109e+2 -1.7557e+2
 #       -Range:  0-300
 
-1.0000 O_phthalate-2 + 1.0000 H+  =  H(O_phthalate)-
-        -llnl_gamma           4.0    
-        log_k           +5.4080
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H(O_phthalate)-
+O_phthalate-2 + H+ = H(O_phthalate)-
+        -llnl_gamma 4
+        log_k 5.408
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 CrO4--  =  H2CrO4
-        -llnl_gamma           3.0    
-        log_k           +5.1750
-	-delta_H	42.8274	kJ/mol	# Calculated enthalpy of reaction	H2CrO4
+
+2 H+ + CrO4-2 = H2CrO4
+        -llnl_gamma 3
+        log_k 5.175
+	-delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4
 #	Enthalpy of formation:	-200.364 kcal/mol
-        -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002
+        -analytic 4.2958e+2 1.4939e-1 -1.1474e+4 -1.7396e+2 -1.9499e+2
 #       -Range:  0-200
 
-2.0000 H+ + 2.0000 F-  =  H2F2
-        -llnl_gamma           3.0    
-        log_k           +6.7680
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2F2
+2 H+ + 2 F- = H2F2
+        -llnl_gamma 3
+        log_k 6.768
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2F2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+  =  H2P2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +12.0709
-	-delta_H	19.7192	kJ/mol	# Calculated enthalpy of reaction	H2P2O7-2
+
+2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 12.0709
+	-delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2
 #	Enthalpy of formation:	-544.6 kcal/mol
-        -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001
+        -analytic 1.4825e+2 6.7021e-2 -2.8329e+3 -5.9251e+1 -4.4248e+1
 #       -Range:  0-300
 
-3.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  H2PO3F +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +12.1047
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2PO3F
+3 H+ + HPO4-2 + F- = H2PO3F + H2O
+        -llnl_gamma 3
+        log_k 12.1047
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+  =  H2PO4-
-        -llnl_gamma           4.0    
-        log_k           +7.2054
-	-delta_H	-4.20492	kJ/mol	# Calculated enthalpy of reaction	H2PO4-
+
+HPO4-2 + H+ = H2PO4-
+        -llnl_gamma 4
+        log_k 7.2054
+	-delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4-
 #	Enthalpy of formation:	-309.82 kcal/mol
-        -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001
+        -analytic 8.2149e+1 3.4077e-2 -1.0431e+3 -3.297e+1 -1.6301e+1
 #       -Range:  0-300
 
 #1.0000 HS- + 1.0000 H+  =  H2S
-#        -llnl_gamma           3.0    
+#        -llnl_gamma           3.0
 #        log_k           +6.99
 #        -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001
 #       -Range:  0-300
-# these (above) H2S values are from 
+# these (above) H2S values are from
 # Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198.
 # values below are the original Thermo.com.v8.r6.230 data from somewhere
 
-1.0000 HS- + 1.0000 H+  =  H2S
-        -llnl_gamma           3.0    
-        log_k           +6.9877
-	-delta_H	-21.5518	kJ/mol	# Calculated enthalpy of reaction	H2S
+HS- + H+ = H2S
+        -llnl_gamma 3
+        log_k 6.9877
+	-delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S
 #	Enthalpy of formation:	-9.001 kcal/mol
-        -analytic 3.9283e+001 2.8727e-002  1.3477e+003 -1.8331e+001  2.1018e+001
+        -analytic 3.9283e+1 2.8727e-2 1.3477e+3 -1.8331e+1 2.1018e+1
 #       -Range:  0-300
 
-2.0000 H+ + 1.0000 SO3--  =  H2SO3
-        -llnl_gamma           3.0    
-        log_k           +9.2132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO3
+2 H+ + SO3-2 = H2SO3
+        -llnl_gamma 3
+        log_k 9.2132
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 SO4--  =  H2SO4
-        -llnl_gamma           3.0    
-        log_k           -1.0209
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SO4
+
+2 H+ + SO4-2 = H2SO4
+        -llnl_gamma 3
+        log_k -1.0209
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 Se--  =  H2Se
-        -llnl_gamma           3.0    
-        log_k           +18.7606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2Se
+
+2 H+ + Se-2 = H2Se
+        -llnl_gamma 3
+        log_k 18.7606
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2Se
 #	Enthalpy of formation:	19.412 kJ/mol
-        -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001
+        -analytic 3.6902e+2 1.2855e-1 -5.59e+3 -1.4946e+2 -9.5054e+1
 #       -Range:  0-200
 
-2.0000 H+ + 1.0000 SeO3--  =  H2SeO3
-        -llnl_gamma           3.0    
-        log_k           +9.8589
-	-delta_H	1.7238	kJ/mol	# Calculated enthalpy of reaction	H2SeO3
+2 H+ + SeO3-2 = H2SeO3
+        -llnl_gamma 3
+        log_k 9.8589
+	-delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3
 #	Enthalpy of formation:	-507.469 kJ/mol
-        -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001
+        -analytic 2.785e+2 1.046e-1 -5.4934e+3 -1.1371e+2 -9.3383e+1
 #       -Range:  0-200
 
-2.0000 H2O + 1.0000 SiO2  =  H2SiO4-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.96
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2SiO4-2
+2 H2O + SiO2 = H2SiO4-2 + 2 H+
+        -llnl_gamma 4
+        log_k -22.96
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 TcO4--  =  H2TcO4
-        -llnl_gamma           3.0    
-        log_k           +9.0049
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2TcO4
+
+2 H+ + TcO4-2 = H2TcO4
+        -llnl_gamma 3
+        log_k 9.0049
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+ =  H2VO4- + 2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0922
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2VO4-
+
+2 H2O + VO2+ = H2VO4- + 2 H+
+        -llnl_gamma 4
+        log_k -7.0922
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4-
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.7105e+001   -1.7503e-002   -4.2671e+003   -1.8910e+000   -6.6589e+001
+        -analytic 1.7105e+1 -1.7503e-2 -4.2671e+3 -1.891e+0 -6.6589e+1
 #       -Range:  0-300
 
-1.0000 H2AsO4- + 1.0000 H+  =  H3AsO4
-        -llnl_gamma           3.0    
-        log_k           +2.2492
-	-delta_H	7.17876	kJ/mol	# Calculated enthalpy of reaction	H3AsO4
+H2AsO4- + H+ = H3AsO4
+        -llnl_gamma 3
+        log_k 2.2492
+	-delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4
 #	Enthalpy of formation:	-902.381 kJ/mol
-        -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001
+        -analytic 1.4043e+2 4.6288e-2 -3.5868e+3 -5.656e+1 -6.0957e+1
 #       -Range:  0-200
 
-3.0000 H+ + 2.0000 HPO4--  =  H3P2O7- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +14.4165
-	-delta_H	21.8112	kJ/mol	# Calculated enthalpy of reaction	H3P2O7-
+3 H+ + 2 HPO4-2 = H3P2O7- + H2O
+        -llnl_gamma 4
+        log_k 14.4165
+	-delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7-
 #	Enthalpy of formation:	-544.1 kcal/mol
-        -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001
+        -analytic 2.3157e+2 1.0161e-1 -4.3723e+3 -9.405e+1 -6.8295e+1
 #       -Range:  0-300
 
-2.0000 H+ + 1.0000 HPO4--  =  H3PO4
-        -llnl_gamma           3.0    
-        log_k           +9.3751
-	-delta_H	3.74468	kJ/mol	# Calculated enthalpy of reaction	H3PO4
+2 H+ + HPO4-2 = H3PO4
+        -llnl_gamma 3
+        log_k 9.3751
+	-delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4
 #	Enthalpy of formation:	-307.92 kcal/mol
-        -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001
+        -analytic 1.838e+2 6.732e-2 -3.7792e+3 -7.3463e+1 -5.9025e+1
 #       -Range:  0-300
 
-8.0000 H2O + 4.0000 SiO2  =  H4(H2SiO4)4---- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -35.94
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H4(H2SiO4)4-4
+8 H2O + 4 SiO2 = H4(H2SiO4)4-4 + 4 H+
+        -llnl_gamma 4
+        log_k -35.94
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H+ + 2.0000 HPO4--  =  H4P2O7 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +15.9263
-	-delta_H	29.7226	kJ/mol	# Calculated enthalpy of reaction	H4P2O7
+
+4 H+ + 2 HPO4-2 = H4P2O7 + H2O
+        -llnl_gamma 3
+        log_k 15.9263
+	-delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7
 #	Enthalpy of formation:	-2268.6 kJ/mol
-        -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002
+        -analytic 6.9026e+2 2.4309e-1 -1.6165e+4 -2.7989e+2 -2.7475e+2
 #       -Range:  0-200
 
-8.0000 H2O + 4.0000 SiO2  =  H6(H2SiO4)4-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.64
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H6(H2SiO4)4-2
+8 H2O + 4 SiO2 = H6(H2SiO4)4-2 + 2 H+
+        -llnl_gamma 4
+        log_k -13.64
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Al+++  =  HAlO2 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -16.4329
-	-delta_H	144.704	kJ/mol	# Calculated enthalpy of reaction	HAlO2
+
+2 H2O + Al+3 = HAlO2 + 3 H+
+        -llnl_gamma 3
+        log_k -16.4329
+	-delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2
 #	Enthalpy of formation:	-230.73 kcal/mol
-        -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002
+        -analytic 4.2012e+1 1.998e-2 -7.7847e+3 -1.547e+1 -1.2149e+2
 #       -Range:  0-300
 
-1.0000 H2AsO3- + 1.0000 H+  =  HAsO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k            9.2792 
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO2
+H2AsO3- + H+ = HAsO2 + H2O
+        -llnl_gamma 3
+        log_k 9.2792
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 3.1290e+002    9.3052e-002   -6.5052e+003   -1.2510e+002   -1.1058e+002
+        -analytic 3.129e+2 9.3052e-2 -6.5052e+3 -1.251e+2 -1.1058e+2
 #       -Range:  0-200
 
-1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F-  =  HAsO3F- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +46.1158
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsO3F-
+H2AsO4- + H+ + F- = HAsO3F- + H2O
+        -llnl_gamma 4
+        log_k 46.1158
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H2AsO4-  =  HAsO4-- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.7583
-	-delta_H	3.22168	kJ/mol	# Calculated enthalpy of reaction	HAsO4-2
+
+H2AsO4- = HAsO4-2 + H+
+        -llnl_gamma 4
+        log_k -6.7583
+	-delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2
 #	Enthalpy of formation:	-216.62 kcal/mol
-        -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001
+        -analytic -8.4546e+1 -3.463e-2 1.1829e+3 3.3997e+1 1.8483e+1
 #       -Range:  0-300
 
-3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3-  =  HAsS2 +3.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +30.4803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HAsS2
+3 H+ + 2 HS- + H2AsO3- = HAsS2 + 3 H2O
+        -llnl_gamma 3
+        log_k 30.4803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 BrO-  =  HBrO
-        -llnl_gamma           3.0    
-        log_k           +8.3889
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HBrO
+
+H+ + BrO- = HBrO
+        -llnl_gamma 3
+        log_k 8.3889
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HBrO
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 Cyanide-  =  HCyanide
-        -llnl_gamma           3.0    
-        log_k           +9.2359
-	-delta_H	-43.5136	kJ/mol	# Calculated enthalpy of reaction	HCyanide
+
+H+ + Cyanide- = HCyanide
+        -llnl_gamma 3
+        log_k 9.2359
+	-delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide
 #	Enthalpy of formation:	25.6 kcal/mol
-        -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001
+        -analytic 1.0536e+1 2.3105e-2 3.3038e+3 -7.7786e+0 5.155e+1
 #       -Range:  0-300
 
-1.0000 H+ + 1.0000 Cl-  =  HCl
-        -llnl_gamma           3.0    
-        log_k           -0.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCl
+H+ + Cl- = HCl
+        -llnl_gamma 3
+        log_k -0.67
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HCl
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002
+        -analytic 4.1893e+2 1.1103e-1 -1.1784e+4 -1.6697e+2 -1.84e+2
 #       -Range:  0-300
 
-1.0000 H+ + 1.0000 ClO-  =  HClO
-        -llnl_gamma           3.0    
-        log_k           +7.5692
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO
+H+ + ClO- = HClO
+        -llnl_gamma 3
+        log_k 7.5692
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HClO
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 ClO2-  =  HClO2
-        -llnl_gamma           3.0    
-        log_k           +3.1698
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HClO2
+
+H+ + ClO2- = HClO2
+        -llnl_gamma 3
+        log_k 3.1698
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HClO2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Co++  =  HCoO2- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -21.243
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HCoO2-
+
+2 H2O + Co+2 = HCoO2- + 3 H+
+        -llnl_gamma 4
+        log_k -21.243
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 CrO4--  =  HCrO4-
-        -llnl_gamma           4.0    
-        log_k           +6.4944
-	-delta_H	2.9288	kJ/mol	# Calculated enthalpy of reaction	HCrO4-
+
+H+ + CrO4-2 = HCrO4-
+        -llnl_gamma 4
+        log_k 6.4944
+	-delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4-
 #	Enthalpy of formation:	-209.9 kcal/mol
-        -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000
+        -analytic 4.4944e+1 3.274e-2 1.84e+2 -1.9722e+1 2.8578e+0
 #       -Range:  0-300
 
-1.0000 H+ + 1.0000 F-  =  HF
-        -llnl_gamma           3.0    
-        log_k           +3.1681
-	-delta_H	13.87	kJ/mol	# Calculated enthalpy of reaction	HF
+H+ + F- = HF
+        -llnl_gamma 3
+        log_k 3.1681
+	-delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF
 #	Enthalpy of formation:	-76.835 kcal/mol
-        -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001
+        -analytic 8.6626e+1 3.2861e-2 -2.3026e+3 -3.4559e+1 -3.5956e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 H+  =  HF2-
-        -llnl_gamma           4.0    
-        log_k           +2.5509
-	-delta_H	20.7526	kJ/mol	# Calculated enthalpy of reaction	HF2-
+2 F- + H+ = HF2-
+        -llnl_gamma 4
+        log_k 2.5509
+	-delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2-
 #	Enthalpy of formation:	-155.34 kcal/mol
-        -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001
+        -analytic 1.4359e+2 4.0866e-2 -4.6776e+3 -5.5574e+1 -7.3032e+1
 #       -Range:  0-300
 
-1.0000 IO3- + 1.0000 H+  =  HIO3
-        -llnl_gamma           3.0    
-        log_k           +0.4915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HIO3
+IO3- + H+ = HIO3
+        -llnl_gamma 3
+        log_k 0.4915
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HIO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 N3- + 1.0000 H+  =  HN3
-        -llnl_gamma           3.0    
-        log_k           +4.7001
-	-delta_H	-15	kJ/mol	# Calculated enthalpy of reaction	HN3
+
+N3- + H+ = HN3
+        -llnl_gamma 3
+        log_k 4.7001
+	-delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3
 #	Enthalpy of formation:	260.14 kJ/mol
-        -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001
+        -analytic 6.9976e+1 2.4359e-2 -7.1947e+2 -2.8339e+1 -1.2242e+1
 #       -Range:  0-200
 
-1.0000 NO2- + 1.0000 H+  =  HNO2
-        -llnl_gamma           3.0    
-        log_k           +3.2206
-	-delta_H	-14.782	kJ/mol	# Calculated enthalpy of reaction	HNO2
+NO2- + H+ = HNO2
+        -llnl_gamma 3
+        log_k 3.2206
+	-delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2
 #	Enthalpy of formation:	-119.382 kJ/mol
-        -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005
+        -analytic 1.9653e+0 -1.1603e-4 0e+0 0e+0 1.1569e+5
 #       -Range:  0-200
 
-1.0000 NO3- + 1.0000 H+  =  HNO3
-        -llnl_gamma           3.0    
-        log_k           -1.3025
-	-delta_H	16.8155	kJ/mol	# Calculated enthalpy of reaction	HNO3
+NO3- + H+ = HNO3
+        -llnl_gamma 3
+        log_k -1.3025
+	-delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3
 #	Enthalpy of formation:	-45.41 kcal/mol
-        -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001
+        -analytic 9.9744e+1 3.4866e-2 -3.0975e+3 -4.083e+1 -4.8363e+1
 #       -Range:  0-300
 
-2.0000 HPO4-- + 1.0000 H+  =  HP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +5.4498
-	-delta_H	23.3326	kJ/mol	# Calculated enthalpy of reaction	HP2O7-3
+2 HPO4-2 + H+ = HP2O7-3 + H2O
+        -llnl_gamma 4
+        log_k 5.4498
+	-delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3
 #	Enthalpy of formation:	-2274.99 kJ/mol
-        -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002
+        -analytic 3.9159e+2 1.5438e-1 -8.7071e+3 -1.6283e+2 -1.3598e+2
 #       -Range:  0-300
 
-2.0000 H+ + 1.0000 HPO4-- + 1.0000 F-  =  HPO3F- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +11.2988
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HPO3F-
+2 H+ + HPO4-2 + F- = HPO3F- + H2O
+        -llnl_gamma 4
+        log_k 11.2988
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 RuO4 + 1.0000 H2O  =  HRuO5- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.5244
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HRuO5-
+
+RuO4 + H2O = HRuO5- + H+
+        -llnl_gamma 4
+        log_k -11.5244
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 H+ + 1.0000 S2O3--  =  HS2O3-
-        -llnl_gamma           4.0    
-        log_k            1.0139
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HS2O3-
+
+H+ + S2O3-2 = HS2O3-
+        -llnl_gamma 4
+        log_k 1.0139
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO3-- + 1.0000 H+  =  HSO3-
-        -llnl_gamma           4.0    
-        log_k           +7.2054
-	-delta_H	9.33032	kJ/mol	# Calculated enthalpy of reaction	HSO3-
+
+SO3-2 + H+ = HSO3-
+        -llnl_gamma 4
+        log_k 7.2054
+	-delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3-
 #	Enthalpy of formation:	-149.67 kcal/mol
-        -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000
+        -analytic 5.5899e+1 3.3623e-2 -5.012e+2 -2.304e+1 -7.8373e+0
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 H+  =  HSO4-
-        -llnl_gamma           4.0    
-        log_k           +1.9791
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HSO4-
+SO4-2 + H+ = HSO4-
+        -llnl_gamma 4
+        log_k 1.9791
+	-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4-
 #	Enthalpy of formation:	-212.5 kcal/mol
-        -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001
+        -analytic 4.9619e+1 3.0368e-2 -1.1558e+3 -2.1335e+1 -1.8051e+1
 #       -Range:  0-300
 
-4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3  =  HSb2S4- +6.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +50.6100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HSb2S4-
+4 HS- + 3 H+ + 2 Sb(OH)3 = HSb2S4- + 6 H2O
+        -llnl_gamma 4
+        log_k 50.61
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4-
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002
+        -analytic 1.754e+2 8.2177e-2 1.0786e+4 -7.4874e+1 1.6826e+2
 #       -Range:  0-300
 
-1.0000 SeO3-- + 1.0000 H+  =  HSeO3-
-        -llnl_gamma           4.0    
-        log_k           +7.2861
-	-delta_H	-5.35552	kJ/mol	# Calculated enthalpy of reaction	HSeO3-
+SeO3-2 + H+ = HSeO3-
+        -llnl_gamma 4
+        log_k 7.2861
+	-delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3-
 #	Enthalpy of formation:	-122.98 kcal/mol
-        -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000
+        -analytic 5.0427e+1 3.225e-2 2.9603e+2 -2.1711e+1 4.6044e+0
 #       -Range:  0-300
 
-1.0000 SeO4-- + 1.0000 H+  =  HSeO4-
-        -llnl_gamma           4.0    
-        log_k           +1.9058
-	-delta_H	17.5728	kJ/mol	# Calculated enthalpy of reaction	HSeO4-
+SeO4-2 + H+ = HSeO4-
+        -llnl_gamma 4
+        log_k 1.9058
+	-delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4-
 #	Enthalpy of formation:	-139 kcal/mol
-        -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001
+        -analytic 1.416e+2 3.9801e-2 -4.5392e+3 -5.5088e+1 -7.0872e+1
 #       -Range:  0-300
 
-1.0000 SiO2 + 1.0000 H2O  =  HSiO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.9525
-	-delta_H	25.991	kJ/mol	# Calculated enthalpy of reaction	HSiO3-
+SiO2 + H2O = HSiO3- + H+
+        -llnl_gamma 4
+        log_k -9.9525
+	-delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3-
 #	Enthalpy of formation:	-271.88 kcal/mol
-        -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006
+        -analytic 6.4211e+1 -2.4872e-2 -1.2707e+4 -1.4681e+1 1.0853e+6
 #       -Range:  0-300
 
-1.0000 TcO4-- + 1.0000 H+  =  HTcO4-
-        -llnl_gamma           4.0    
-        log_k           +8.7071
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HTcO4-
+TcO4-2 + H+ = HTcO4-
+        -llnl_gamma 4
+        log_k 8.7071
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+ =  HVO4-- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.1553
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HVO4-2
+
+2 H2O + VO2+ = HVO4-2 + 3 H+
+        -llnl_gamma 4
+        log_k -15.1553
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -7.0660e+001   -5.2457e-002   -3.5380e+003    3.3534e+001   -5.5186e+001
+        -analytic -7.066e+1 -5.2457e-2 -3.538e+3 3.3534e+1 -5.5186e+1
 #       -Range:  0-300
 
-5.0000 H2O + 1.0000 Hf++++  =  Hf(OH)5- +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.1754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(OH)5-
+5 H2O + Hf+4 = Hf(OH)5- + 5 H+
+        -llnl_gamma 4
+        log_k -17.1754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Hf++++ + 1.0000 H2O  =  HfOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.2951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfOH+3
+
+Hf+4 + H2O = HfOH+3 + H+
+        -llnl_gamma 5
+        log_k -0.2951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Hg++  =  Hg(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -2.6242
-	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Hg(Acetate)2
+
+2 HAcetate + Hg+2 = Hg(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -2.6242
+	-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2
 #	Enthalpy of formation:	-198.78 kcal/mol
-        -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005
+        -analytic -2.1959e+1 2.7774e-3 -3.25e+3 7.7351e+0 9.1508e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Hg++  =  Hg(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3247
-	-delta_H	-59.7057	kJ/mol	# Calculated enthalpy of reaction	Hg(Acetate)3-
+3 HAcetate + Hg+2 = Hg(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -4.3247
+	-delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3-
 #	Enthalpy of formation:	-321.9 kcal/mol
-        -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006
+        -analytic 2.1656e+1 -2.0392e-3 -1.2866e+4 -3.2932e+0 2.3073e+6
 #       -Range:  0-300
 
-1.0000 Hg++ + 1.0000 HAcetate  =  HgAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.4691
-	-delta_H	-16.5686	kJ/mol	# Calculated enthalpy of reaction	HgAcetate+
+Hg+2 + HAcetate = HgAcetate+ + H+
+        -llnl_gamma 4
+        log_k -0.4691
+	-delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+
 #	Enthalpy of formation:	-79.39 kcal/mol
-        -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005
+        -analytic -1.6355e+1 1.9446e-3 -2.6676e+2 5.1978e+0 2.9805e+5
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ho+++  =  Ho(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-28.1583	kJ/mol	# Calculated enthalpy of reaction	Ho(Acetate)2+
+2 HAcetate + Ho+3 = Ho(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9844
+	-delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+
 #	Enthalpy of formation:	-407.93 kcal/mol
-        -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005
+        -analytic -2.7925e+1 2.5599e-3 -1.4779e+3 8.0785e+0 6.3736e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Ho+++  =  Ho(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-47.5721	kJ/mol	# Calculated enthalpy of reaction	Ho(Acetate)3
+3 HAcetate + Ho+3 = Ho(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3783
+	-delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3
 #	Enthalpy of formation:	-528.67 kcal/mol
-        -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005
+        -analytic -6.5547e+1 -1.1963e-4 -1.8887e+2 1.9796e+1 7.9041e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Ho+++  =  Ho(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(CO3)2-
+2 HCO3- + Ho+3 = Ho(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.3576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(HPO4)2-
+
+2 HPO4-2 + Ho+3 = Ho(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ho+++  =  Ho(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.3437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(PO4)2-3
+
+2 HPO4-2 + Ho+3 = Ho(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.3437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Ho+++  =  Ho(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(SO4)2-
+
+2 SO4-2 + Ho+3 = Ho(SO4)2-
+        -llnl_gamma 4
+        log_k 4.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ho+++ + 1.0000 HAcetate  =  HoAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-14.3093	kJ/mol	# Calculated enthalpy of reaction	HoAcetate+2
+
+Ho+3 + HAcetate = HoAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1184
+	-delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2
 #	Enthalpy of formation:	-288.52 kcal/mol
-        -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005
+        -analytic -1.8265e+1 1.0753e-3 -6.0695e+2 5.7211e+0 3.3055e+5
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 HCO3-  =  HoCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.2591
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	HoCO3+
+Ho+3 + HCO3- = HoCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.2591
+	-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+
 #	Enthalpy of formation:	-312.6 kcal/mol
-        -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002
+        -analytic 2.3773e+2 5.4448e-2 -6.9916e+3 -9.4063e+1 -1.0917e+2
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 Cl-  =  HoCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	HoCl+2
+Ho+3 + Cl- = HoCl+2
+        -llnl_gamma 4.5
+        log_k 0.2353
+	-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2
 #	Enthalpy of formation:	-205.6 kcal/mol
-        -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001
+        -analytic 7.3746e+1 3.7733e-2 -1.5627e+3 -3.2126e+1 -2.4407e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Ho+++  =  HoCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	17.8489	kJ/mol	# Calculated enthalpy of reaction	HoCl2+
+2 Cl- + Ho+3 = HoCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+
 #	Enthalpy of formation:	-244.6 kcal/mol
-        -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001
+        -analytic 1.9928e+2 7.9025e-2 -4.7775e+3 -8.3582e+1 -7.4607e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Ho+++  =  HoCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	HoCl3
+3 Cl- + Ho+3 = HoCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3
 #	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002
+        -analytic 3.8608e+2 1.2638e-1 -9.8339e+3 -1.5809e+2 -1.5356e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Ho+++  =  HoCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-12.4181	kJ/mol	# Calculated enthalpy of reaction	HoCl4-
+4 Cl- + Ho+3 = HoCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4-
 #	Enthalpy of formation:	-331.7 kcal/mol
-        -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002
+        -analytic 4.2179e+2 1.2576e-1 -1.0495e+4 -1.7172e+2 -1.6388e+2
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 F-  =  HoF++
-        -llnl_gamma           4.5    
-        log_k           +4.7352
-	-delta_H	22.3844	kJ/mol	# Calculated enthalpy of reaction	HoF+2
+Ho+3 + F- = HoF+2
+        -llnl_gamma 4.5
+        log_k 4.7352
+	-delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2
 #	Enthalpy of formation:	-243.8 kcal/mol
-        -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001
+        -analytic 9.5294e+1 4.1702e-2 -2.446e+3 -3.8296e+1 -3.8195e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Ho+++  =  HoF2+
-        -llnl_gamma           4.0    
-        log_k           +8.2976
-	-delta_H	11.7152	kJ/mol	# Calculated enthalpy of reaction	HoF2+
+2 F- + Ho+3 = HoF2+
+        -llnl_gamma 4
+        log_k 8.2976
+	-delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+
 #	Enthalpy of formation:	-326.5 kcal/mol
-        -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001
+        -analytic 2.233e+2 8.3497e-2 -4.9105e+3 -9.0272e+1 -7.669e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Ho+++  =  HoF3
-        -llnl_gamma           3.0    
-        log_k           +10.9071
-	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	HoF3
+3 F- + Ho+3 = HoF3
+        -llnl_gamma 3
+        log_k 10.9071
+	-delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3
 #	Enthalpy of formation:	-412.5 kcal/mol
-        -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002
+        -analytic 4.1587e+2 1.3308e-1 -9.2193e+3 -1.6717e+2 -1.4398e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Ho+++  =  HoF4-
-        -llnl_gamma           4.0    
-        log_k           +13.0035
-	-delta_H	-57.7392	kJ/mol	# Calculated enthalpy of reaction	HoF4-
+4 F- + Ho+3 = HoF4-
+        -llnl_gamma 4
+        log_k 13.0035
+	-delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4-
 #	Enthalpy of formation:	-503.4 kcal/mol
-        -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002
+        -analytic 4.4575e+2 1.3182e-1 -8.5485e+3 -1.7916e+2 -1.3352e+2
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+  =  HoH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-17.9284	kJ/mol	# Calculated enthalpy of reaction	HoH2PO4+2
+Ho+3 + HPO4-2 + H+ = HoH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2
 #	Enthalpy of formation:	-482.1 kcal/mol
-        -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000
+        -analytic 1.0273e+2 6.3161e-2 5.516e+2 -4.6035e+1 8.5766e+0
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 HCO3-  =  HoHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	7.52283	kJ/mol	# Calculated enthalpy of reaction	HoHCO3+2
+Ho+3 + HCO3- = HoHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.6991
+	-delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2
 #	Enthalpy of formation:	-332.1 kcal/mol
-        -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000
+        -analytic 3.342e+1 3.1394e-2 1.9804e+2 -1.6859e+1 3.0801e+0
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 HPO4--  =  HoHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoHPO4+
+Ho+3 + HPO4-2 = HoHPO4+
+        -llnl_gamma 4
+        log_k 5.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Ho+++  =  HoNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-30.0035	kJ/mol	# Calculated enthalpy of reaction	HoNO3+2
+
+NO3- + Ho+3 = HoNO3+2
+        -llnl_gamma 4.5
+        log_k 0.2148
+	-delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2
 #	Enthalpy of formation:	-225.6 kcal/mol
-        -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001
+        -analytic 1.1069e+1 2.5142e-2 2.3943e+3 -1.065e+1 3.7358e+1
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 H2O  =  HoO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.0438
-	-delta_H	108.437	kJ/mol	# Calculated enthalpy of reaction	HoO+
+Ho+3 + H2O = HoO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.0438
+	-delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+
 #	Enthalpy of formation:	-211.4 kcal/mol
-        -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002
+        -analytic 1.9152e+2 3.0627e-2 -1.3817e+4 -6.8846e+1 -2.1565e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Ho+++  =  HoO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.4804
-	-delta_H	274.613	kJ/mol	# Calculated enthalpy of reaction	HoO2-
+2 H2O + Ho+3 = HoO2- + 4 H+
+        -llnl_gamma 4
+        log_k -33.4804
+	-delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2-
 #	Enthalpy of formation:	-240 kcal/mol
-        -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002
+        -analytic 1.7987e+2 1.2731e-2 -2.0007e+4 -6.0642e+1 -3.1224e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Ho+++  =  HoO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.5377
-	-delta_H	216.873	kJ/mol	# Calculated enthalpy of reaction	HoO2H
+2 H2O + Ho+3 = HoO2H + 3 H+
+        -llnl_gamma 3
+        log_k -24.5377
+	-delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H
 #	Enthalpy of formation:	-253.8 kcal/mol
-        -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002
+        -analytic 3.3877e+2 4.6282e-2 -2.2925e+4 -1.2133e+2 -3.5782e+2
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 H2O  =  HoOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.7609
-	-delta_H	76.6383	kJ/mol	# Calculated enthalpy of reaction	HoOH+2
+Ho+3 + H2O = HoOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.7609
+	-delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2
 #	Enthalpy of formation:	-219 kcal/mol
-        -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001
+        -analytic 7.1326e+1 1.2657e-2 -6.2461e+3 -2.5018e+1 -9.7485e+1
 #       -Range:  0-300
 
-1.0000 Ho+++ + 1.0000 HPO4--  =  HoPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4
+Ho+3 + HPO4-2 = HoPO4 + H+
+        -llnl_gamma 3
+        log_k 0.2782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ho+++  =  HoSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	20.5016	kJ/mol	# Calculated enthalpy of reaction	HoSO4+
+
+SO4-2 + Ho+3 = HoSO4+
+        -llnl_gamma 4
+        log_k 3.5697
+	-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+
 #	Enthalpy of formation:	-381.5 kcal/mol
-        -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002
+        -analytic 3.0709e+2 8.6579e-2 -9.0693e+3 -1.2078e+2 -1.4161e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 K+  =  K(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.2914
-	-delta_H	-1.79912	kJ/mol	# Calculated enthalpy of reaction	K(Acetate)2-
+2 HAcetate + K+ = K(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -10.2914
+	-delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2-
 #	Enthalpy of formation:	-292.9 kcal/mol
-        -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002
+        -analytic -2.3036e+2 -4.6369e-2 7.0305e+3 8.4997e+1 1.0977e+2
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 Br-  =  KBr
-        -llnl_gamma           3.0    
-        log_k           -1.7372
-	-delta_H	12.5102	kJ/mol	# Calculated enthalpy of reaction	KBr
+K+ + Br- = KBr
+        -llnl_gamma 3
+        log_k -1.7372
+	-delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr
 #	Enthalpy of formation:	-86.32 kcal/mol
-        -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001
+        -analytic 1.132e+2 3.4227e-2 -3.6401e+3 -4.5633e+1 -5.6833e+1
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 HAcetate  =  KAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.0211
-	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	KAcetate
+K+ + HAcetate = KAcetate + H+
+        -llnl_gamma 3
+        log_k -5.0211
+	-delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate
 #	Enthalpy of formation:	-175.22 kcal/mol
-        -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005
+        -analytic -2.6676e-1 -3.2675e-3 -1.7143e+3 -7.1907e-3 1.7726e+5
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 Cl-  =  KCl
-        -llnl_gamma           3.0    
-        log_k           -1.4946
-	-delta_H	14.1963	kJ/mol	# Calculated enthalpy of reaction	KCl
+K+ + Cl- = KCl
+        -llnl_gamma 3
+        log_k -1.4946
+	-delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl
 #	Enthalpy of formation:	-96.81 kcal/mol
-        -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001
+        -analytic 1.365e+2 3.8405e-2 -4.4014e+3 -5.4421e+1 -6.8721e+1
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 HPO4--  =  KHPO4-
-        -llnl_gamma           4.0    
-        log_k           +0.7800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KHPO4-
+K+ + HPO4-2 = KHPO4-
+        -llnl_gamma 4
+        log_k 0.78
+	-delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 K+ + 1.0000 H+  =  KHSO4
-        -llnl_gamma           3.0    
-        log_k           +0.8136
-	-delta_H	29.8319	kJ/mol	# Calculated enthalpy of reaction	KHSO4
+
+SO4-2 + K+ + H+ = KHSO4
+        -llnl_gamma 3
+        log_k 0.8136
+	-delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4
 #	Enthalpy of formation:	-270.54 kcal/mol
-        -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001
+        -analytic 1.262e+2 5.7349e-2 -3.367e+3 -5.3003e+1 -5.2576e+1
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 I-  =  KI
-        -llnl_gamma           3.0    
-        log_k           -1.598
-	-delta_H	9.16296	kJ/mol	# Calculated enthalpy of reaction	KI
+K+ + I- = KI
+        -llnl_gamma 3
+        log_k -1.598
+	-delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI
 #	Enthalpy of formation:	-71.68 kcal/mol
-        -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001
+        -analytic 1.0816e+2 3.3683e-2 -3.2143e+3 -4.4054e+1 -5.0187e+1
 #       -Range:  0-300
 
-1.0000 K+ + 1.0000 H2O  =  KOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -14.46
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KOH
+K+ + H2O = KOH + H+
+        -llnl_gamma 3
+        log_k -14.46
+	-delta_H 0 # Not possible to calculate enthalpy of reaction KOH
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 K+  =  KP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -1.4286
-	-delta_H	34.1393	kJ/mol	# Calculated enthalpy of reaction	KP2O7-3
+
+2 HPO4-2 + K+ = KP2O7-3 + H2O
+        -llnl_gamma 4
+        log_k -1.4286
+	-delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3
 #	Enthalpy of formation:	-2516.36 kJ/mol
-        -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002
+        -analytic 4.193e+2 1.4676e-1 -1.1169e+4 -1.7255e+2 -1.7441e+2
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 K+  =  KSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.8796
-	-delta_H	2.88696	kJ/mol	# Calculated enthalpy of reaction	KSO4-
+SO4-2 + K+ = KSO4-
+        -llnl_gamma 4
+        log_k 0.8796
+	-delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4-
 #	Enthalpy of formation:	-276.98 kcal/mol
-        -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001
+        -analytic 9.9073e+1 3.7817e-2 -2.1628e+3 -4.1297e+1 -3.3779e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 La+++  =  La(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.3949
-	-delta_H	-23.1375	kJ/mol	# Calculated enthalpy of reaction	La(Acetate)2+
+2 HAcetate + La+3 = La(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -5.3949
+	-delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+
 #	Enthalpy of formation:	-407.33 kcal/mol
-        -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005
+        -analytic -1.2805e+1 2.8482e-3 -2.2521e+3 2.9108e+0 6.1659e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 La+++  =  La(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.5982
-	-delta_H	-41.9237	kJ/mol	# Calculated enthalpy of reaction	La(Acetate)3
+3 HAcetate + La+3 = La(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.5982
+	-delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3
 #	Enthalpy of formation:	-527.92 kcal/mol
-        -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005
+        -analytic -3.3456e+1 1.2371e-3 -1.5978e+3 8.6343e+0 7.5717e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 La+++  =  La(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(CO3)2-
+2 HCO3- + La+3 = La(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.8576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 La+++  =  La(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(HPO4)2-
+
+2 HPO4-2 + La+3 = La(HPO4)2-
+        -llnl_gamma 4
+        log_k 8.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 La+++  =  La(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(PO4)2-3
+
+2 HPO4-2 + La+3 = La(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -7.0437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 La+++  =  La(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(SO4)2-
+
+2 SO4-2 + La+3 = La(SO4)2-
+        -llnl_gamma 4
+        log_k 5.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 La+++ + 2.0000 H2O  =  La2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -22.9902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(OH)2+4
+
+2 La+3 + 2 H2O = La2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -22.9902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-9.0000 H2O + 5.0000 La+++  =  La5(OH)9+6 +9.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -71.1557
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La5(OH)9+6
+
+9 H2O + 5 La+3 = La5(OH)9+6 + 9 H+
+        -llnl_gamma 6
+        log_k -71.1557
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 La+++ + 1.0000 HAcetate  =  LaAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.2063
-	-delta_H	-12.5938	kJ/mol	# Calculated enthalpy of reaction	LaAcetate+2
+
+La+3 + HAcetate = LaAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.2063
+	-delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2
 #	Enthalpy of formation:	-288.71 kcal/mol
-        -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005
+        -analytic -1.0803e+1 8.5239e-4 -1.1143e+3 3.3273e+0 3.4305e+5
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 HCO3-  =  LaCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.212
-	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	LaCO3+
+La+3 + HCO3- = LaCO3+ + H+
+        -llnl_gamma 4
+        log_k -3.212
+	-delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+
 #	Enthalpy of formation:	-313.1 kcal/mol
-        -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002
+        -analytic 2.3046e+2 5.2419e-2 -7.1063e+3 -9.1109e+1 -1.1095e+2
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 Cl-  =  LaCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	LaCl+2
+La+3 + Cl- = LaCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2
 #	Enthalpy of formation:	-206.1 kcal/mol
-        -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001
+        -analytic 7.5802e+1 3.6641e-2 -1.7234e+3 -3.2578e+1 -2.6914e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 La+++  =  LaCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	19.1041	kJ/mol	# Calculated enthalpy of reaction	LaCl2+
+2 Cl- + La+3 = LaCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+
 #	Enthalpy of formation:	-244.9 kcal/mol
-        -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001
+        -analytic 2.1632e+2 7.9274e-2 -5.5883e+3 -8.94e+1 -8.7264e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 La+++  =  LaCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	12.5478	kJ/mol	# Calculated enthalpy of reaction	LaCl3
+3 Cl- + La+3 = LaCl3
+        -llnl_gamma 3
+        log_k -0.3936
+	-delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3
 #	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002
+        -analytic 4.221e+2 1.2792e-1 -1.1444e+4 -1.7062e+2 -1.7869e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 La+++  =  LaCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.818
-	-delta_H	-7.81571	kJ/mol	# Calculated enthalpy of reaction	LaCl4-
+4 Cl- + La+3 = LaCl4-
+        -llnl_gamma 4
+        log_k -0.818
+	-delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4-
 #	Enthalpy of formation:	-331.2 kcal/mol
-        -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002
+        -analytic 4.8802e+2 1.3053e-1 -1.3344e+4 -1.9518e+2 -2.0836e+2
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 F-  =  LaF++
-        -llnl_gamma           4.5    
-        log_k           +3.8556
-	-delta_H	26.5684	kJ/mol	# Calculated enthalpy of reaction	LaF+2
+La+3 + F- = LaF+2
+        -llnl_gamma 4.5
+        log_k 3.8556
+	-delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2
 #	Enthalpy of formation:	-243.4 kcal/mol
-        -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001
+        -analytic 9.6765e+1 4.0513e-2 -2.8042e+3 -3.8617e+1 -4.3785e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 La+++  =  LaF2+
-        -llnl_gamma           4.0    
-        log_k           +6.6850
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	LaF2+
+2 F- + La+3 = LaF2+
+        -llnl_gamma 4
+        log_k 6.685
+	-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+
 #	Enthalpy of formation:	-325.2 kcal/mol
-        -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001
+        -analytic 2.3923e+2 8.3559e-2 -6.0536e+3 -9.5821e+1 -9.4531e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 La+++  =  LaF3
-        -llnl_gamma           3.0    
-        log_k           +8.7081
-	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	LaF3
+3 F- + La+3 = LaF3
+        -llnl_gamma 3
+        log_k 8.7081
+	-delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3
 #	Enthalpy of formation:	-410.2 kcal/mol
-        -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002
+        -analytic 4.5123e+2 1.346e-1 -1.1334e+4 -1.7967e+2 -1.7699e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 La+++  =  LaF4-
-        -llnl_gamma           4.0    
-        log_k           +10.3647
-	-delta_H	-41.4216	kJ/mol	# Calculated enthalpy of reaction	LaF4-
+4 F- + La+3 = LaF4-
+        -llnl_gamma 4
+        log_k 10.3647
+	-delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4-
 #	Enthalpy of formation:	-500.1 kcal/mol
-        -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002
+        -analytic 5.0747e+2 1.3563e-1 -1.1903e+4 -2.0108e+2 -1.8588e+2
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+  =  LaH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.7417
-	-delta_H	-18.3468	kJ/mol	# Calculated enthalpy of reaction	LaH2PO4+2
+La+3 + HPO4-2 + H+ = LaH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.7417
+	-delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2
 #	Enthalpy of formation:	-482.8 kcal/mol
-        -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000
+        -analytic 1.053e+2 6.2177e-2 4.0686e+2 -4.6642e+1 6.3174e+0
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 HCO3-  =  LaHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9923
-	-delta_H	6.68603	kJ/mol	# Calculated enthalpy of reaction	LaHCO3+2
+La+3 + HCO3- = LaHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.9923
+	-delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2
 #	Enthalpy of formation:	-332.9 kcal/mol
-        -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001
+        -analytic 3.6032e+1 3.0405e-2 5.1281e+1 -1.7478e+1 7.8933e-1
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 HPO4--  =  LaHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaHPO4+
+La+3 + HPO4-2 = LaHPO4+
+        -llnl_gamma 4
+        log_k 5.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 La+++  =  LaNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5813
-	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	LaNO3+2
+
+NO3- + La+3 = LaNO3+2
+        -llnl_gamma 4.5
+        log_k 0.5813
+	-delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2
 #	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001
+        -analytic 1.4136e+1 2.4247e-2 2.1998e+3 -1.1371e+1 3.4322e+1
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 H2O  =  LaO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -18.1696
-	-delta_H	121.407	kJ/mol	# Calculated enthalpy of reaction	LaO+
+La+3 + H2O = LaO+ + 2 H+
+        -llnl_gamma 4
+        log_k -18.1696
+	-delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+
 #	Enthalpy of formation:	-208.9 kcal/mol
-        -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002
+        -analytic 1.8691e+2 2.9275e-2 -1.4385e+4 -6.6906e+1 -2.2452e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 La+++  =  LaO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -40.8105
-	-delta_H	318.126	kJ/mol	# Calculated enthalpy of reaction	LaO2-
+2 H2O + La+3 = LaO2- + 4 H+
+        -llnl_gamma 4
+        log_k -40.8105
+	-delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2-
 #	Enthalpy of formation:	-230.2 kcal/mol
-        -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002
+        -analytic 1.8374e+2 1.2355e-2 -2.2472e+4 -6.1779e+1 -3.507e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 La+++  =  LaO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -27.9095
-	-delta_H	237.375	kJ/mol	# Calculated enthalpy of reaction	LaO2H
+2 H2O + La+3 = LaO2H + 3 H+
+        -llnl_gamma 3
+        log_k -27.9095
+	-delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H
 #	Enthalpy of formation:	-249.5 kcal/mol
-        -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002
+        -analytic 3.3862e+2 4.4808e-2 -2.4083e+4 -1.2088e+2 -3.7589e+2
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 H2O  =  LaOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.6405
-	-delta_H	82.4959	kJ/mol	# Calculated enthalpy of reaction	LaOH+2
+La+3 + H2O = LaOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -8.6405
+	-delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2
 #	Enthalpy of formation:	-218.2 kcal/mol
-        -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001
+        -analytic 6.5529e+1 1.1104e-2 -6.392e+3 -2.2646e+1 -9.976e+1
 #       -Range:  0-300
 
-1.0000 La+++ + 1.0000 HPO4--  =  LaPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -1.3618
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4
+La+3 + HPO4-2 = LaPO4 + H+
+        -llnl_gamma 3
+        log_k -1.3618
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 La+++  =  LaSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	18.4096	kJ/mol	# Calculated enthalpy of reaction	LaSO4+
+
+SO4-2 + La+3 = LaSO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+
 #	Enthalpy of formation:	-382.6 kcal/mol
-        -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002
+        -analytic 3.0657e+2 8.4093e-2 -9.1074e+3 -1.2019e+2 -1.422e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Li+  =  Li(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.2674
-	-delta_H	-24.7609	kJ/mol	# Calculated enthalpy of reaction	Li(Acetate)2-
+2 HAcetate + Li+ = Li(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.2674
+	-delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2-
 #	Enthalpy of formation:	-304.67 kcal/mol
-        -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002
+        -analytic -3.3702e+2 -6.0849e-2 1.1952e+4 1.2359e+2 1.8659e+2
 #       -Range:  0-300
 
-1.0000 Li+ + 1.0000 HAcetate  =  LiAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.4589
-	-delta_H	-6.64419	kJ/mol	# Calculated enthalpy of reaction	LiAcetate
+Li+ + HAcetate = LiAcetate + H+
+        -llnl_gamma 3
+        log_k -4.4589
+	-delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate
 #	Enthalpy of formation:	-184.24 kcal/mol
-        -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005
+        -analytic -3.8391e+0 -7.3938e-4 -1.0829e+3 3.4134e-1 2.1318e+5
 #       -Range:  0-300
 
-1.0000 Li+ + 1.0000 Cl-  =  LiCl
-        -llnl_gamma           3.0    
-        log_k           -1.5115
-	-delta_H	3.36812	kJ/mol	# Calculated enthalpy of reaction	LiCl
+Li+ + Cl- = LiCl
+        -llnl_gamma 3
+        log_k -1.5115
+	-delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl
 #	Enthalpy of formation:	-105.68 kcal/mol
-        -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001
+        -analytic 1.2484e+2 4.1941e-2 -3.2439e+3 -5.1708e+1 -5.0655e+1
 #       -Range:  0-300
 
-1.0000 Li+ + 1.0000 H2O  =  LiOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -13.64
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiOH
+Li+ + H2O = LiOH + H+
+        -llnl_gamma 3
+        log_k -13.64
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LiOH
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Li+  =  LiSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.7700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiSO4-
+
+SO4-2 + Li+ = LiSO4-
+        -llnl_gamma 4
+        log_k 0.77
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Lu+++  =  Lu(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-38.5346	kJ/mol	# Calculated enthalpy of reaction	Lu(Acetate)2+
+
+2 HAcetate + Lu+3 = Lu(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9625
+	-delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+
 #	Enthalpy of formation:	-409.31 kcal/mol
-        -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005
+        -analytic -2.7341e+1 2.5097e-3 -1.4157e+3 7.5026e+0 6.9682e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Lu+++  =  Lu(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-64.5173	kJ/mol	# Calculated enthalpy of reaction	Lu(Acetate)3
+3 HAcetate + Lu+3 = Lu(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3489
+	-delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3
 #	Enthalpy of formation:	-531.62 kcal/mol
-        -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005
+        -analytic -5.0225e+1 3.3508e-3 -6.2901e+2 1.3262e+1 9.0737e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Lu+++  =  Lu(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(CO3)2-
+2 HCO3- + Lu+3 = Lu(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -6.8576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(HPO4)2-
+
+2 HPO4-2 + Lu+3 = Lu(HPO4)2-
+        -llnl_gamma 4
+        log_k 10.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Lu+++  =  Lu(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(PO4)2-3
+
+2 HPO4-2 + Lu+3 = Lu(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -2.7437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Lu+++  =  Lu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(SO4)2-
+
+2 SO4-2 + Lu+3 = Lu(SO4)2-
+        -llnl_gamma 4
+        log_k 5.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Lu+++ + 1.0000 HAcetate  =  LuAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-18.9703	kJ/mol	# Calculated enthalpy of reaction	LuAcetate+2
+
+Lu+3 + HAcetate = LuAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1037
+	-delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2
 #	Enthalpy of formation:	-288.534 kcal/mol
-        -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005
+        -analytic -6.5982e+0 2.4512e-3 -1.2666e+3 1.4226e+0 4.0045e+5
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 HCO3-  =  LuCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.0392
-	-delta_H	78.2324	kJ/mol	# Calculated enthalpy of reaction	LuCO3+
+Lu+3 + HCO3- = LuCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.0392
+	-delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+
 #	Enthalpy of formation:	-314.1 kcal/mol
-        -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002
+        -analytic 2.384e+2 5.4774e-2 -6.8317e+3 -9.45e+1 -1.0667e+2
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 Cl-  =  LuCl++
-        -llnl_gamma           4.5    
-        log_k           -0.0579
-	-delta_H	13.5269	kJ/mol	# Calculated enthalpy of reaction	LuCl+2
+Lu+3 + Cl- = LuCl+2
+        -llnl_gamma 4.5
+        log_k -0.0579
+	-delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2
 #	Enthalpy of formation:	-204.6 kcal/mol
-        -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001
+        -analytic 6.6161e+1 3.6521e-2 -1.2938e+3 -2.9397e+1 -2.0209e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Lu+++  =  LuCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.6289
-	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	LuCl2+
+2 Cl- + Lu+3 = LuCl2+
+        -llnl_gamma 4
+        log_k -0.6289
+	-delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+
 #	Enthalpy of formation:	-244 kcal/mol
-        -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001
+        -analytic 1.8608e+2 7.7283e-2 -4.2349e+3 -7.9007e+1 -6.6137e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Lu+++  =  LuCl3
-        -llnl_gamma           3.0    
-        log_k           -1.1999
-	-delta_H	3.56895	kJ/mol	# Calculated enthalpy of reaction	LuCl3
+3 Cl- + Lu+3 = LuCl3
+        -llnl_gamma 3
+        log_k -1.1999
+	-delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3
 #	Enthalpy of formation:	-286.846 kcal/mol
-        -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002
+        -analytic 3.706e+2 1.2564e-1 -8.9374e+3 -1.5325e+2 -1.3957e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Lu+++  =  LuCl4-
-        -llnl_gamma           4.0    
-        log_k           -1.771
-	-delta_H	-25.8069	kJ/mol	# Calculated enthalpy of reaction	LuCl4-
+4 Cl- + Lu+3 = LuCl4-
+        -llnl_gamma 4
+        log_k -1.771
+	-delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4-
 #	Enthalpy of formation:	-333.8 kcal/mol
-        -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002
+        -analytic 3.8876e+2 1.22e-1 -8.6965e+3 -1.6071e+2 -1.3582e+2
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 F-  =  LuF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	25.7316	kJ/mol	# Calculated enthalpy of reaction	LuF+2
+Lu+3 + F- = LuF+2
+        -llnl_gamma 4.5
+        log_k 4.8085
+	-delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2
 #	Enthalpy of formation:	-241.9 kcal/mol
-        -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001
+        -analytic 9.0303e+1 4.0963e-2 -2.414e+3 -3.6203e+1 -3.7694e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Lu+++  =  LuF2+
-        -llnl_gamma           4.0    
-        log_k           +8.4442
-	-delta_H	14.2256	kJ/mol	# Calculated enthalpy of reaction	LuF2+
+2 F- + Lu+3 = LuF2+
+        -llnl_gamma 4
+        log_k 8.4442
+	-delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+
 #	Enthalpy of formation:	-324.8 kcal/mol
-        -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001
+        -analytic 2.144e+2 8.2559e-2 -4.7009e+3 -8.679e+1 -7.3417e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Lu+++  =  LuF3
-        -llnl_gamma           3.0    
-        log_k           +11.0999
-	-delta_H	-12.3428	kJ/mol	# Calculated enthalpy of reaction	LuF3
+3 F- + Lu+3 = LuF3
+        -llnl_gamma 3
+        log_k 11.0999
+	-delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3
 #	Enthalpy of formation:	-411.3 kcal/mol
-        -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002
+        -analytic 4.0247e+2 1.3233e-1 -8.6775e+3 -1.6232e+2 -1.3552e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Lu+++  =  LuF4-
-        -llnl_gamma           4.0    
-        log_k           +13.2967
-	-delta_H	-64.0152	kJ/mol	# Calculated enthalpy of reaction	LuF4-
+4 F- + Lu+3 = LuF4-
+        -llnl_gamma 4
+        log_k 13.2967
+	-delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4-
 #	Enthalpy of formation:	-503.8 kcal/mol
-        -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002
+        -analytic 4.2541e+2 1.307e-1 -7.4276e+3 -1.722e+2 -1.1603e+2
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+  =  LuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5950
-	-delta_H	-23.786	kJ/mol	# Calculated enthalpy of reaction	LuH2PO4+2
+Lu+3 + HPO4-2 + H+ = LuH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.595
+	-delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2
 #	Enthalpy of formation:	-482.4 kcal/mol
-        -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001
+        -analytic 9.4223e+1 6.1797e-2 1.1102e+3 -4.3131e+1 1.7296e+1
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 HCO3-  =  LuHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	1.66523	kJ/mol	# Calculated enthalpy of reaction	LuHCO3+2
+Lu+3 + HCO3- = LuHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.919
+	-delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2
 #	Enthalpy of formation:	-332.4 kcal/mol
-        -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001
+        -analytic 2.3187e+1 2.9604e-2 8.1268e+2 -1.3252e+1 1.2674e+1
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 HPO4--  =  LuHPO4+
-        -llnl_gamma           4.0    
-        log_k           +6.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuHPO4+
+Lu+3 + HPO4-2 = LuHPO4+
+        -llnl_gamma 4
+        log_k 6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Lu+++  =  LuNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5813
-	-delta_H	-41.7187	kJ/mol	# Calculated enthalpy of reaction	LuNO3+2
+
+NO3- + Lu+3 = LuNO3+2
+        -llnl_gamma 4.5
+        log_k 0.5813
+	-delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2
 #	Enthalpy of formation:	-227.3 kcal/mol
-        -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001
+        -analytic 1.7412e+0 2.3703e-2 3.2605e+3 -7.7334e+0 5.0876e+1
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 H2O  =  LuO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.3108
-	-delta_H	99.6503	kJ/mol	# Calculated enthalpy of reaction	LuO+
+Lu+3 + H2O = LuO+ + 2 H+
+        -llnl_gamma 4
+        log_k -15.3108
+	-delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+
 #	Enthalpy of formation:	-212.4 kcal/mol
-        -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002
+        -analytic 1.5946e+2 2.6603e-2 -1.2215e+4 -5.7276e+1 -1.9065e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Lu+++  =  LuO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -31.9411
-	-delta_H	258.713	kJ/mol	# Calculated enthalpy of reaction	LuO2-
+2 H2O + Lu+3 = LuO2- + 4 H+
+        -llnl_gamma 4
+        log_k -31.9411
+	-delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2-
 #	Enthalpy of formation:	-242.7 kcal/mol
-        -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002
+        -analytic 1.1522e+2 5.0221e-3 -1.6847e+4 -3.7244e+1 -2.6292e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Lu+++  =  LuO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.878
-	-delta_H	206.832	kJ/mol	# Calculated enthalpy of reaction	LuO2H
+2 H2O + Lu+3 = LuO2H + 3 H+
+        -llnl_gamma 3
+        log_k -23.878
+	-delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H
 #	Enthalpy of formation:	-255.1 kcal/mol
-        -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002
+        -analytic 2.8768e+2 4.2338e-2 -2.0443e+4 -1.033e+2 -3.1907e+2
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 H2O  =  LuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6143
-	-delta_H	72.0359	kJ/mol	# Calculated enthalpy of reaction	LuOH+2
+Lu+3 + H2O = LuOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.6143
+	-delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2
 #	Enthalpy of formation:	-219 kcal/mol
-        -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001
+        -analytic 4.2937e+1 9.2421e-3 -4.9953e+3 -1.4769e+1 -7.796e+1
 #       -Range:  0-300
 
-1.0000 Lu+++ + 1.0000 HPO4--  =  LuPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4
+Lu+3 + HPO4-2 = LuPO4 + H+
+        -llnl_gamma 3
+        log_k 0.6782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Lu+++  =  LuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	19.5393	kJ/mol	# Calculated enthalpy of reaction	LuSO4+
+
+SO4-2 + Lu+3 = LuSO4+
+        -llnl_gamma 4
+        log_k 3.5697
+	-delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+
 #	Enthalpy of formation:	-380.63 kcal/mol
-        -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002
+        -analytic 3.0108e+2 8.5238e-2 -8.8411e+3 -1.185e+2 -1.3805e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Mg++  =  Mg(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.473
-	-delta_H	-23.8195	kJ/mol	# Calculated enthalpy of reaction	Mg(Acetate)2
+2 HAcetate + Mg+2 = Mg(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.473
+	-delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2
 #	Enthalpy of formation:	-349.26 kcal/mol
-        -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005
+        -analytic -4.3954e+1 -3.1842e-4 -1.2033e+3 1.3556e+1 6.3058e+5
 #       -Range:  0-300
 
-4.0000 Mg++ + 4.0000 H2O  =  Mg4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -39.75
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg4(OH)4+4
+4 Mg+2 + 4 H2O = Mg4(OH)4+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k -39.75
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3  =  MgB(OH)4+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3467
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgB(OH)4+
+
+Mg+2 + H2O + B(OH)3 = MgB(OH)4+ + H+
+        -llnl_gamma 4
+        log_k -7.3467
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 HAcetate  =  MgAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.4781
-	-delta_H	-8.42239	kJ/mol	# Calculated enthalpy of reaction	MgAcetate+
+
+Mg+2 + HAcetate = MgAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.4781
+	-delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+
 #	Enthalpy of formation:	-229.48 kcal/mol
-        -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005
+        -analytic -2.3548e+1 -1.6071e-3 -4.2228e+2 7.7009e+0 2.5981e+5
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 HCO3-  =  MgCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.3499
-	-delta_H	23.8279	kJ/mol	# Calculated enthalpy of reaction	MgCO3
+Mg+2 + HCO3- = MgCO3 + H+
+        -llnl_gamma 3
+        log_k -7.3499
+	-delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3
 #	Enthalpy of formation:	-270.57 kcal/mol
-        -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002
+        -analytic 2.3465e+2 5.5538e-2 -8.3947e+3 -9.3104e+1 -1.3106e+2
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 Cl-  =  MgCl+
-        -llnl_gamma           4.0    
-        log_k           -0.1349
-	-delta_H	-0.58576	kJ/mol	# Calculated enthalpy of reaction	MgCl+
+Mg+2 + Cl- = MgCl+
+        -llnl_gamma 4
+        log_k -0.1349
+	-delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+
 #	Enthalpy of formation:	-151.44 kcal/mol
-        -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000
+        -analytic 4.3363e+1 3.2858e-2 1.1878e+2 -2.1688e+1 1.8403e+0
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 F-  =  MgF+
-        -llnl_gamma           4.0    
-        log_k           +1.3524
-	-delta_H	2.37233	kJ/mol	# Calculated enthalpy of reaction	MgF+
+Mg+2 + F- = MgF+
+        -llnl_gamma 4
+        log_k 1.3524
+	-delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+
 #	Enthalpy of formation:	-190.95 kcal/mol
-        -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001
+        -analytic 6.4311e+1 3.5184e-2 -7.3241e+2 -2.8678e+1 -1.1448e+1
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+  =  MgH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.6600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgH2PO4+
+Mg+2 + HPO4-2 + H+ = MgH2PO4+
+        -llnl_gamma 4
+        log_k 1.66
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mg++ + 1.0000 HCO3-  =  MgHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.0357
-	-delta_H	2.15476	kJ/mol	# Calculated enthalpy of reaction	MgHCO3+
+
+Mg+2 + HCO3- = MgHCO3+
+        -llnl_gamma 4
+        log_k 1.0357
+	-delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+
 #	Enthalpy of formation:	-275.75 kcal/mol
-        -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000
+        -analytic 3.8459e+1 3.0076e-2 9.8068e+1 -1.8869e+1 1.5187e+0
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 HPO4--  =  MgHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.9100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgHPO4
+Mg+2 + HPO4-2 = MgHPO4
+        -llnl_gamma 3
+        log_k 2.91
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Mg++  =  MgP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.4727
-	-delta_H	38.5451	kJ/mol	# Calculated enthalpy of reaction	MgP2O7-2
+
+2 HPO4-2 + Mg+2 = MgP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 3.4727
+	-delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2
 #	Enthalpy of formation:	-2725.74 kJ/mol
-        -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002
+        -analytic 4.8038e+2 1.253e-1 -1.5175e+4 -1.8724e+2 -2.3693e+2
 #       -Range:  0-300
 
-1.0000 Mg++ + 1.0000 HPO4--  =  MgPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7328
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgPO4-
+Mg+2 + HPO4-2 = MgPO4- + H+
+        -llnl_gamma 4
+        log_k -5.7328
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Mg++  =  MgSO4
-        -llnl_gamma           3.0    
-        log_k           +2.4117
-	-delta_H	19.6051	kJ/mol	# Calculated enthalpy of reaction	MgSO4
+
+SO4-2 + Mg+2 = MgSO4
+        -llnl_gamma 3
+        log_k 2.4117
+	-delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4
 #	Enthalpy of formation:	-1355.96 kJ/mol
-        -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001
+        -analytic 1.7994e+2 6.4715e-2 -4.7314e+3 -7.3123e+1 -8.0408e+1
 #       -Range:  0-200
 
-2.0000 HAcetate + 1.0000 Mn++  =  Mn(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4547
-	-delta_H	-11.4893	kJ/mol	# Calculated enthalpy of reaction	Mn(Acetate)2
+2 HAcetate + Mn+2 = Mn(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.4547
+	-delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2
 #	Enthalpy of formation:	-287.67 kcal/mol
-        -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005
+        -analytic -9.0558e-1 5.9656e-3 -4.3531e+3 -1.1063e+0 8.0323e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Mn++  =  Mn(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.8747
-	-delta_H	-30.3591	kJ/mol	# Calculated enthalpy of reaction	Mn(Acetate)3-
+3 HAcetate + Mn+2 = Mn(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -11.8747
+	-delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3-
 #	Enthalpy of formation:	-408.28 kcal/mol
-        -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006
+        -analytic -3.8531e+0 -9.914e-3 -1.2065e+4 5.1424e+0 2.0175e+6
 #       -Range:  0-300
 
-2.0000 NO3- + 1.0000 Mn++  =  Mn(NO3)2
-        -llnl_gamma           3.0    
-        log_k           +0.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(NO3)2
+2 NO3- + Mn+2 = Mn(NO3)2
+        -llnl_gamma 3
+        log_k 0.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Mn++  =  Mn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -22.2
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)2
+
+2 H2O + Mn+2 = Mn(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -22.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Mn++  =  Mn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.2278
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3-
+
+3 H2O + Mn+2 = Mn(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -34.2278
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Mn++  =  Mn(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -48.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)4-2
+
+4 H2O + Mn+2 = Mn(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -48.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 2.0000 Mn++  =  Mn2(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.9
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2(OH)3+
+
+3 H2O + 2 Mn+2 = Mn2(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k -23.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Mn++ + 1.0000 H2O  =  Mn2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -10.56
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn2OH+3
+
+2 Mn+2 + H2O = Mn2OH+3 + H+
+        -llnl_gamma 5
+        log_k -10.56
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HAcetate  =  MnAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.5404
-	-delta_H	-3.07942	kJ/mol	# Calculated enthalpy of reaction	MnAcetate+
+
+Mn+2 + HAcetate = MnAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.5404
+	-delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+
 #	Enthalpy of formation:	-169.56 kcal/mol
-        -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005
+        -analytic -1.4061e+1 1.8149e-3 -8.6438e+2 4.0354e+0 2.5831e+5
 #       -Range:  0-300
 
-1.0000 Mn++ + 1.0000 HCO3-  =  MnCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -5.8088
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCO3
+Mn+2 + HCO3- = MnCO3 + H+
+        -llnl_gamma 3
+        log_k -5.8088
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 Cl-  =  MnCl+
-        -llnl_gamma           4.0    
-        log_k           +0.3013
-	-delta_H	18.3134	kJ/mol	# Calculated enthalpy of reaction	MnCl+
+
+Mn+2 + Cl- = MnCl+
+        -llnl_gamma 4
+        log_k 0.3013
+	-delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+
 #	Enthalpy of formation:	-88.28 kcal/mol
-        -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001
+        -analytic 8.7072e+1 4.0361e-2 -2.1786e+3 -3.6966e+1 -3.4022e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Mn++  =  MnCl3-
-        -llnl_gamma           4.0    
-        log_k           -0.3324
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnCl3-
+3 Cl- + Mn+2 = MnCl3-
+        -llnl_gamma 4
+        log_k -0.3324
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 F-  =  MnF+
-        -llnl_gamma           4.0    
-        log_k           +1.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnF+
+
+Mn+2 + F- = MnF+
+        -llnl_gamma 4
+        log_k 1.43
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+  =  MnH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +8.5554
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnH2PO4+
+
+Mn+2 + HPO4-2 + H+ = MnH2PO4+
+        -llnl_gamma 4
+        log_k 8.5554
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HCO3-  =  MnHCO3+
-        -llnl_gamma           4.0    
-        log_k           +0.8816
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHCO3+
+
+Mn+2 + HCO3- = MnHCO3+
+        -llnl_gamma 4
+        log_k 0.8816
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4--  =  MnHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.5800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
+
+Mn+2 + HPO4-2 = MnHPO4
+        -llnl_gamma 3
+        log_k 3.58
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 NO3- + 1.0000 Mn++  =  MnNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnNO3+
+
+NO3- + Mn+2 = MnNO3+
+        -llnl_gamma 4
+        log_k 0.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.5000 H2O + 1.2500 O2 + 1.0000 Mn++  =  MnO4- +3.0000 H+
-        -llnl_gamma           3.5    
-        log_k           -20.2963
-	-delta_H	123.112	kJ/mol	# Calculated enthalpy of reaction	MnO4-
+
+1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
+        -llnl_gamma 3.5
+        log_k -20.2963
+	-delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4-
 #	Enthalpy of formation:	-129.4 kcal/mol
-        -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005
+        -analytic 1.8544e+1 -1.7618e-2 -6.7332e+3 -3.3193e+0 -2.4924e+5
 #       -Range:  0-300
 
-1.0000 Mn++ + 1.0000 H2O  =  MnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.59
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnOH+
+Mn+2 + H2O = MnOH+ + H+
+        -llnl_gamma 4
+        log_k -10.59
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Mn++ + 1.0000 HPO4--  =  MnPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.1318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnPO4-
+
+Mn+2 + HPO4-2 = MnPO4- + H+
+        -llnl_gamma 4
+        log_k -5.1318
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Mn++  =  MnSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3529
-	-delta_H	14.1168	kJ/mol	# Calculated enthalpy of reaction	MnSO4
+
+SO4-2 + Mn+2 = MnSO4
+        -llnl_gamma 3
+        log_k 2.3529
+	-delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4
 #	Enthalpy of formation:	-266.75 kcal/mol
-        -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002
+        -analytic 2.9448e+2 8.5294e-2 -8.1366e+3 -1.1729e+2 -1.2705e+2
 #       -Range:  0-300
 
-1.0000 SeO4-- + 1.0000 Mn++  =  MnSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO4
+SeO4-2 + Mn+2 = MnSeO4
+        -llnl_gamma 3
+        log_k 2.43
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 NH3  =  NH4(Acetate)2- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.1928
-	-delta_H	-56.735	kJ/mol	# Calculated enthalpy of reaction	NH4(Acetate)2-
+
+2 HAcetate + NH3 = NH4(Acetate)2- + H+
+        -llnl_gamma 4
+        log_k -0.1928
+	-delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2-
 #	Enthalpy of formation:	-265.2 kcal/mol
-        -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006
+        -analytic 3.7137e+1 -1.2242e-2 -8.4764e+3 -8.4308e+0 1.3883e+6
 #       -Range:  0-300
 
-1.0000 NH3 + 1.0000 H+  =  NH4+
-        -llnl_gamma           2.5    
-        log_k           +9.2410
-	-delta_H	-51.9234	kJ/mol	# Calculated enthalpy of reaction	NH4+
+NH3 + H+ = NH4+
+        -llnl_gamma 2.5
+        log_k 9.241
+	-delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+
 #	Enthalpy of formation:	-31.85 kcal/mol
-        -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001
+        -analytic -1.4527e+1 -5.0518e-3 3.0447e+3 6.0865e+0 4.7515e+1
 #       -Range:  0-300
 
-1.0000 NH3 + 1.0000 HAcetate  =  NH4Acetate
-        -llnl_gamma           3.0    
-        log_k           +4.6964
-	-delta_H	-48.911	kJ/mol	# Calculated enthalpy of reaction	NH4Acetate
+NH3 + HAcetate = NH4Acetate
+        -llnl_gamma 3
+        log_k 4.6964
+	-delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate
 #	Enthalpy of formation:	-147.23 kcal/mol
-        -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005
+        -analytic 1.4104e+1 -4.3664e-3 -1.0746e+3 -3.6999e+0 4.1428e+5
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+  =  NH4SO4-
-        -llnl_gamma           4.0    
-        log_k           +0.9400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SO4-
+SO4-2 + NH3 + H+ = NH4SO4-
+        -llnl_gamma 4
+        log_k 0.94
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sb(OH)3 + 1.0000 NH3  =  NH4SbO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           -2.5797
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4SbO2
+
+Sb(OH)3 + NH3 = NH4SbO2 + H2O
+        -llnl_gamma 3
+        log_k -2.5797
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Na+  =  Na(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.9989
-	-delta_H	-11.5771	kJ/mol	# Calculated enthalpy of reaction	Na(Acetate)2-
+
+2 HAcetate + Na+ = Na(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.9989
+	-delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2-
 #	Enthalpy of formation:	-292.4 kcal/mol
-        -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002
+        -analytic -2.9232e+2 -5.5708e-2 9.6601e+3 1.0772e+2 1.5082e+2
 #       -Range:  0-300
 
-1.0000 O_phthalate-2 + 1.0000 Na+  =  Na(O_phthalate)-
-        -llnl_gamma           4.0    
-        log_k           +0.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na(O_phthalate)-
+O_phthalate-2 + Na+ = Na(O_phthalate)-
+        -llnl_gamma 4
+        log_k 0.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Na+ + 2.0000 HPO4--  =  Na2P2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +0.4437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2P2O7-2
+
+2 Na+ + 2 HPO4-2 = Na2P2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 0.4437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++  =  NaAlO2 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.6266
-	-delta_H	190.326	kJ/mol	# Calculated enthalpy of reaction	NaAlO2
+
+2 H2O + Na+ + Al+3 = NaAlO2 + 4 H+
+        -llnl_gamma 3
+        log_k -23.6266
+	-delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2
 #	Enthalpy of formation:	-277.259 kcal/mol
-        -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002
+        -analytic 1.2288e+2 3.4921e-2 -1.2808e+4 -4.6046e+1 -1.999e+2
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3  =  NaB(OH)4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.974
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaB(OH)4
+Na+ + H2O + B(OH)3 = NaB(OH)4 + H+
+        -llnl_gamma 3
+        log_k -8.974
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Na+ + 1.0000 Br-  =  NaBr
-        -llnl_gamma           3.0    
-        log_k           -1.3568
-	-delta_H	6.87431	kJ/mol	# Calculated enthalpy of reaction	NaBr
+
+Na+ + Br- = NaBr
+        -llnl_gamma 3
+        log_k -1.3568
+	-delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr
 #	Enthalpy of formation:	-84.83 kcal/mol
-        -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001
+        -analytic 1.1871e+2 3.7271e-2 -3.4061e+3 -4.8386e+1 -5.3184e+1
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 HAcetate  =  NaAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.8606
-	-delta_H	-0.029288	kJ/mol	# Calculated enthalpy of reaction	NaAcetate
+Na+ + HAcetate = NaAcetate + H+
+        -llnl_gamma 3
+        log_k -4.8606
+	-delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate
 #	Enthalpy of formation:	-173.54 kcal/mol
-        -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005
+        -analytic 6.4833e+0 -1.8739e-3 -2.0902e+3 -2.6121e+0 2.399e+5
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 HCO3-  =  NaCO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.8144
-	-delta_H	-5.6521	kJ/mol	# Calculated enthalpy of reaction	NaCO3-
+Na+ + HCO3- = NaCO3- + H+
+        -llnl_gamma 4
+        log_k -9.8144
+	-delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3-
 #	Enthalpy of formation:	-935.885 kJ/mol
-        -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002
+        -analytic 1.6939e+2 5.3122e-4 -7.6768e+3 -6.2078e+1 -1.1984e+2
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 Cl-  =  NaCl
-        -llnl_gamma           3.0    
-        log_k           -0.777
-	-delta_H	5.21326	kJ/mol	# Calculated enthalpy of reaction	NaCl
+Na+ + Cl- = NaCl
+        -llnl_gamma 3
+        log_k -0.777
+	-delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl
 #	Enthalpy of formation:	-96.12 kcal/mol
-        -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001
+        -analytic 1.1398e+2 3.6386e-2 -3.0847e+3 -4.6571e+1 -4.8167e+1
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 F-  =  NaF
-        -llnl_gamma           3.0    
-        log_k           -0.9976
-	-delta_H	7.20903	kJ/mol	# Calculated enthalpy of reaction	NaF
+Na+ + F- = NaF
+        -llnl_gamma 3
+        log_k -0.9976
+	-delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF
 #	Enthalpy of formation:	-135.86 kcal/mol
-        -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001
+        -analytic 1.2507e+2 3.8619e-2 -3.5436e+3 -5.0787e+1 -5.5332e+1
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 HCO3-  =  NaHCO3
-        -llnl_gamma           3.0    
-        log_k           +0.1541
-	-delta_H	-13.7741	kJ/mol	# Calculated enthalpy of reaction	NaHCO3
+Na+ + HCO3- = NaHCO3
+        -llnl_gamma 3
+        log_k 0.1541
+	-delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3
 #	Enthalpy of formation:	-944.007 kJ/mol
-        -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001
+        -analytic -9.0668e+1 -2.9866e-2 2.7947e+3 3.6515e+1 4.7489e+1
 #       -Range:  0-200
 
-2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+  =  NaHP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +6.8498
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHP2O7-2
+2 HPO4-2 + Na+ + H+ = NaHP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 6.8498
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Na+ + 1.0000 HPO4--  =  NaHPO4-
-        -llnl_gamma           4.0    
-        log_k           +0.9200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaHPO4-
+
+Na+ + HPO4-2 = NaHPO4-
+        -llnl_gamma 4
+        log_k 0.92
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O  =  NaHSiO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.304
-	-delta_H	11.6524	kJ/mol	# Calculated enthalpy of reaction	NaHSiO3
+
+SiO2 + Na+ + H2O = NaHSiO3 + H+
+        -llnl_gamma 3
+        log_k -8.304
+	-delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3
 #	Enthalpy of formation:	-332.74 kcal/mol
-        -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005
+        -analytic 3.6045e+1 -9.0411e-3 -6.6605e+3 -1.0447e+1 5.8415e+5
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 I-  =  NaI
-        -llnl_gamma           3.0    
-        log_k           -1.54
-	-delta_H	7.33455	kJ/mol	# Calculated enthalpy of reaction	NaI
+Na+ + I- = NaI
+        -llnl_gamma 3
+        log_k -1.54
+	-delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI
 #	Enthalpy of formation:	-69.28 kcal/mol
-        -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001
+        -analytic 9.8742e+1 3.2917e-2 -2.7576e+3 -4.0748e+1 -4.3058e+1
 #       -Range:  0-300
 
-1.0000 Na+ + 1.0000 H2O  =  NaOH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -14.7948
-	-delta_H	53.6514	kJ/mol	# Calculated enthalpy of reaction	NaOH
+Na+ + H2O = NaOH + H+
+        -llnl_gamma 3
+        log_k -14.7948
+	-delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH
 #	Enthalpy of formation:	-112.927 kcal/mol
-        -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001
+        -analytic 8.7326e+1 2.3555e-2 -5.477e+3 -3.6678e+1 -8.5489e+1
 #       -Range:  0-300
 
-2.0000 HPO4-- + 1.0000 Na+  =  NaP2O7--- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -1.4563
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaP2O7-3
+2 HPO4-2 + Na+ = NaP2O7-3 + H2O
+        -llnl_gamma 4
+        log_k -1.4563
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Na+  =  NaSO4-
-        -llnl_gamma           4.0    
-        log_k           +0.8200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaSO4-
+
+SO4-2 + Na+ = NaSO4-
+        -llnl_gamma 4
+        log_k 0.82
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Nd+++  =  Nd(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9771
-	-delta_H	-22.6354	kJ/mol	# Calculated enthalpy of reaction	Nd(Acetate)2+
+
+2 HAcetate + Nd+3 = Nd(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9771
+	-delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+
 #	Enthalpy of formation:	-404.11 kcal/mol
-        -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005
+        -analytic -2.2128e+1 1.0975e-3 -7.1543e+2 5.8799e+0 4.1748e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Nd+++  =  Nd(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.2976
-	-delta_H	-38.8694	kJ/mol	# Calculated enthalpy of reaction	Nd(Acetate)3
+3 HAcetate + Nd+3 = Nd(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.2976
+	-delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3
 #	Enthalpy of formation:	-524.09 kcal/mol
-        -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005
+        -analytic -4.5726e+1 -2.6143e-3 5.9389e+2 1.2679e+1 4.332e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Nd+++  =  Nd(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.0576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(CO3)2-
+2 HCO3- + Nd+3 = Nd(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.0576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(HPO4)2-
+
+2 HPO4-2 + Nd+3 = Nd(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with NdO2-
 #4.0000 H2O + 1.0000 Nd+++  =  Nd(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -37.0803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)4-
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Nd+++  =  Nd(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.1437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(PO4)2-3
+
+2 HPO4-2 + Nd+3 = Nd(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -5.1437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Nd+++  =  Nd(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           -255.7478
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(SO4)2-
+
+2 SO4-2 + Nd+3 = Nd(SO4)2-
+        -llnl_gamma 4
+        log_k -255.7478
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Nd+++ + 2.0000 H2O  =  Nd2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -13.8902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(OH)2+4
+
+2 Nd+3 + 2 H2O = Nd2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -13.8902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Nd+++ + 1.0000 HAcetate  =  NdAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0891
-	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	NdAcetate+2
+
+Nd+3 + HAcetate = NdAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.0891
+	-delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2
 #	Enthalpy of formation:	-285.47 kcal/mol
-        -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005
+        -analytic -1.6006e+1 4.1948e-4 -3.6469e+2 4.928e+0 2.5187e+5
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 HCO3-  =  NdCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.6256
-	-delta_H	91.6212	kJ/mol	# Calculated enthalpy of reaction	NdCO3+
+Nd+3 + HCO3- = NdCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.6256
+	-delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+
 #	Enthalpy of formation:	-309.5 kcal/mol
-        -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002
+        -analytic 2.3399e+2 5.3454e-2 -7.0513e+3 -9.25e+1 -1.101e+2
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 Cl-  =  NdCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	NdCl+2
+Nd+3 + Cl- = NdCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2
 #	Enthalpy of formation:	-203 kcal/mol
-        -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001
+        -analytic 9.4587e+1 3.9331e-2 -2.42e+3 -3.955e+1 -3.779e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Nd+++  =  NdCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	NdCl2+
+2 Cl- + Nd+3 = NdCl2+
+        -llnl_gamma 4
+        log_k 0.0308
+	-delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+
 #	Enthalpy of formation:	-241.5 kcal/mol
-        -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002
+        -analytic 2.584e+2 8.4118e-2 -7.2056e+3 -1.0477e+2 -1.1251e+2
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Nd+++  =  NdCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3203
-	-delta_H	15.0582	kJ/mol	# Calculated enthalpy of reaction	NdCl3
+3 Cl- + Nd+3 = NdCl3
+        -llnl_gamma 3
+        log_k -0.3203
+	-delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3
 #	Enthalpy of formation:	-282.7 kcal/mol
-        -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002
+        -analytic 4.9362e+2 1.3485e-1 -1.4309e+4 -1.9645e+2 -2.2343e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Nd+++  =  NdCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-3.21331	kJ/mol	# Calculated enthalpy of reaction	NdCl4-
+4 Cl- + Nd+3 = NdCl4-
+        -llnl_gamma 4
+        log_k -0.7447
+	-delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4-
 #	Enthalpy of formation:	-327 kcal/mol
-        -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002
+        -analytic 6.0548e+2 1.4227e-1 -1.8055e+4 -2.3765e+2 -2.8191e+2
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 F-  =  NdF++
-        -llnl_gamma           4.5    
-        log_k           +4.3687
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	NdF+2
+Nd+3 + F- = NdF+2
+        -llnl_gamma 4.5
+        log_k 4.3687
+	-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2
 #	Enthalpy of formation:	-241.2 kcal/mol
-        -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001
+        -analytic 1.1461e+2 4.3014e-2 -3.2461e+3 -4.5326e+1 -5.0687e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Nd+++  =  NdF2+
-        -llnl_gamma           4.0    
-        log_k           +7.5646
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	NdF2+
+2 F- + Nd+3 = NdF2+
+        -llnl_gamma 4
+        log_k 7.5646
+	-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+
 #	Enthalpy of formation:	-323.5 kcal/mol
-        -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002
+        -analytic 2.7901e+2 8.791e-2 -7.2424e+3 -1.1046e+2 -1.1309e+2
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Nd+++  =  NdF3
-        -llnl_gamma           3.0    
-        log_k           +9.8809
-	-delta_H	-8.1588	kJ/mol	# Calculated enthalpy of reaction	NdF3
+3 F- + Nd+3 = NdF3
+        -llnl_gamma 3
+        log_k 9.8809
+	-delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3
 #	Enthalpy of formation:	-408.9 kcal/mol
-        -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002
+        -analytic 5.222e+2 1.4154e-1 -1.3697e+4 -2.0551e+2 -2.1388e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Nd+++  =  NdF4-
-        -llnl_gamma           4.0    
-        log_k           +11.8307
-	-delta_H	-48.5344	kJ/mol	# Calculated enthalpy of reaction	NdF4-
+4 F- + Nd+3 = NdF4-
+        -llnl_gamma 4
+        log_k 11.8307
+	-delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4-
 #	Enthalpy of formation:	-498.7 kcal/mol
-        -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002
+        -analytic 6.1972e+2 1.462e-1 -1.5869e+4 -2.4175e+2 -2.478e+2
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+  =  NdH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5152
-	-delta_H	-15.736	kJ/mol	# Calculated enthalpy of reaction	NdH2PO4+2
+Nd+3 + HPO4-2 + H+ = NdH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.5152
+	-delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2
 #	Enthalpy of formation:	-479.076 kcal/mol
-        -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000
+        -analytic 1.245e+2 6.4953e-2 -4.0524e+2 -5.3728e+1 -6.3603e+0
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 HCO3-  =  NdHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.8457
-	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	NdHCO3+2
+Nd+3 + HCO3- = NdHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.8457
+	-delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2
 #	Enthalpy of formation:	-329.2 kcal/mol
-        -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001
+        -analytic 5.553e+1 3.3254e-2 -7.3859e+2 -2.469e+1 -1.1542e+1
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 HPO4--  =  NdHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdHPO4+
+Nd+3 + HPO4-2 = NdHPO4+
+        -llnl_gamma 4
+        log_k 5.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Nd+++ + 1.0000 NO3-  =  NdNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.7902
-	-delta_H	-27.8529	kJ/mol	# Calculated enthalpy of reaction	NdNO3+2
+
+Nd+3 + NO3- = NdNO3+2
+        -llnl_gamma 4.5
+        log_k 0.7902
+	-delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2
 #	Enthalpy of formation:	-222.586 kcal/mol
-        -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001
+        -analytic 3.385e+1 2.7112e-2 1.4404e+3 -1.857e+1 2.2466e+1
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 H2O  =  NdO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.0701
-	-delta_H	116.386	kJ/mol	# Calculated enthalpy of reaction	NdO+
+Nd+3 + H2O = NdO+ + 2 H+
+        -llnl_gamma 4
+        log_k -17.0701
+	-delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+
 #	Enthalpy of formation:	-207 kcal/mol
-        -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002
+        -analytic 1.8961e+2 3.0563e-2 -1.4153e+4 -6.8024e+1 -2.2089e+2
 #       -Range:  0-300
-2.0000 H2O + 1.0000 Nd+++  =  NdO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -37.0721
-	-delta_H	298.88	kJ/mol	# Calculated enthalpy of reaction	NdO2-
+2 H2O + Nd+3 = NdO2- + 4 H+
+        -llnl_gamma 4
+        log_k -37.0721
+	-delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2-
 #	Enthalpy of formation:	-231.7 kcal/mol
-        -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002
+        -analytic 1.9606e+2 1.4784e-2 -2.1838e+4 -6.6399e+1 -3.4082e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Nd+++  =  NdO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.3702
-	-delta_H	230.681	kJ/mol	# Calculated enthalpy of reaction	NdO2H
+2 H2O + Nd+3 = NdO2H + 3 H+
+        -llnl_gamma 3
+        log_k -26.3702
+	-delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H
 #	Enthalpy of formation:	-248 kcal/mol
-        -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002
+        -analytic 3.4617e+2 4.5955e-2 -2.396e+4 -1.2361e+2 -3.7398e+2
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 H2O  =  NdOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.1274
-	-delta_H	80.8223	kJ/mol	# Calculated enthalpy of reaction	NdOH+2
+Nd+3 + H2O = NdOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -8.1274
+	-delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2
 #	Enthalpy of formation:	-215.5 kcal/mol
-        -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001
+        -analytic 6.6963e+1 1.2182e-2 -6.2797e+3 -2.33e+1 -9.8008e+1
 #       -Range:  0-300
 
-1.0000 Nd+++ + 1.0000 HPO4--  =  NdPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.5218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4
+Nd+3 + HPO4-2 = NdPO4 + H+
+        -llnl_gamma 3
+        log_k -0.5218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Nd+++  =  NdSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	NdSO4+
+
+SO4-2 + Nd+3 = NdSO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+
 #	Enthalpy of formation:	-379.1 kcal/mol
-        -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002
+        -analytic 3.0267e+2 8.5362e-2 -8.9211e+3 -1.1902e+2 -1.3929e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ni++  =  Ni(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.1908
-	-delta_H	-25.8571	kJ/mol	# Calculated enthalpy of reaction	Ni(Acetate)2
+2 HAcetate + Ni+2 = Ni(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.1908
+	-delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2
 #	Enthalpy of formation:	-251.28 kcal/mol
-        -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005
+        -analytic -2.966e+1 1.0643e-3 -1.006e+3 7.9358e+0 5.2562e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Ni++  =  Ni(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.3543
-	-delta_H	-53.6807	kJ/mol	# Calculated enthalpy of reaction	Ni(Acetate)3-
+3 HAcetate + Ni+2 = Ni(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -11.3543
+	-delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3-
 #	Enthalpy of formation:	-374.03 kcal/mol
-        -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006
+        -analytic 5.085e+1 -8.2435e-3 -1.3049e+4 -1.541e+1 1.9704e+6
 #       -Range:  0-300
 
-2.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +5.0598
-	-delta_H	-29.7505	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)2+2
+2 NH3 + Ni+2 = Ni(NH3)2+2
+        -llnl_gamma 4.5
+        log_k 5.0598
+	-delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2
 #	Enthalpy of formation:	-246.398 kJ/mol
-        -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001
+        -analytic 1.0002e+2 5.2896e-3 -2.5967e+3 -3.5485e+1 -4.0548e+1
 #       -Range:  0-300
 
-6.0000 NH3 + 1.0000 Ni++  =  Ni(NH3)6++
-        -llnl_gamma           4.5    
-        log_k           +8.7344
-	-delta_H	-88.0436	kJ/mol	# Calculated enthalpy of reaction	Ni(NH3)6+2
+6 NH3 + Ni+2 = Ni(NH3)6+2
+        -llnl_gamma 4.5
+        log_k 8.7344
+	-delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2
 #	Enthalpy of formation:	-630.039 kJ/mol
-        -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001
+        -analytic 1.9406e+2 -1.3467e-2 -5.2321e+3 -6.6168e+1 -8.1699e+1
 #       -Range:  0-300
 
-2.0000 NO3- + 1.0000 Ni++  =  Ni(NO3)2
-        -llnl_gamma           3.0    
-        log_k           +0.1899
-	-delta_H	-1.54153	kJ/mol	# Calculated enthalpy of reaction	Ni(NO3)2
+2 NO3- + Ni+2 = Ni(NO3)2
+        -llnl_gamma 3
+        log_k 0.1899
+	-delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2
 #	Enthalpy of formation:	-469.137 kJ/mol
-        -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001
+        -analytic -4.2544e+1 -1.0101e-2 1.3496e+3 1.6663e+1 2.2933e+1
 #       -Range:  0-200
 
-2.0000 H2O + 1.0000 Ni++  =  Ni(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -19.9902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)2
+2 H2O + Ni+2 = Ni(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -19.9902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Ni++  =  Ni(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -30.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni(OH)3-
+
+3 H2O + Ni+2 = Ni(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -30.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Ni++ + 1.0000 H2O  =  Ni2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -10.7
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2OH+3
+
+2 Ni+2 + H2O = Ni2OH+3 + H+
+        -llnl_gamma 5
+        log_k -10.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Ni++ + 4.0000 H2O  =  Ni4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -27.6803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni4(OH)4+4
+
+4 Ni+2 + 4 H2O = Ni4(OH)4+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k -27.6803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 Br-  =  NiBr+
-        -llnl_gamma           4.0    
-        log_k           -0.37
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiBr+
+
+Ni+2 + Br- = NiBr+
+        -llnl_gamma 4
+        log_k -0.37
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 HAcetate  =  NiAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.3278
-	-delta_H	-10.2508	kJ/mol	# Calculated enthalpy of reaction	NiAcetate+
+
+Ni+2 + HAcetate = NiAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.3278
+	-delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+
 #	Enthalpy of formation:	-131.45 kcal/mol
-        -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005
+        -analytic -3.311e+0 1.6895e-3 -1.0556e+3 2.7168e-2 2.635e+5
 #       -Range:  0-300
 
-1.0000 Ni++ + 1.0000 Cl-  =  NiCl+
-        -llnl_gamma           4.0    
-        log_k           -0.9962
-	-delta_H	5.99567	kJ/mol	# Calculated enthalpy of reaction	NiCl+
+Ni+2 + Cl- = NiCl+
+        -llnl_gamma 4
+        log_k -0.9962
+	-delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+
 #	Enthalpy of formation:	-51.4 kcal/mol
-        -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001
+        -analytic 9.537e+1 3.8521e-2 -2.1746e+3 -4.0629e+1 -3.3961e+1
 #       -Range:  0-300
 
-2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+  =  NiHP2O7- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +9.2680
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiHP2O7-
+2 HPO4-2 + Ni+2 + H+ = NiHP2O7- + H2O
+        -llnl_gamma 4
+        log_k 9.268
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ni++ + 1.0000 NO3-  =  NiNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiNO3+
+
+Ni+2 + NO3- = NiNO3+
+        -llnl_gamma 4
+        log_k 0.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Ni++  =  NiP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.1012
-	-delta_H	9.68819	kJ/mol	# Calculated enthalpy of reaction	NiP2O7-2
+
+2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 3.1012
+	-delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2
 #	Enthalpy of formation:	-2342.61 kJ/mol
-        -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002
+        -analytic 4.6809e+2 1.0985e-1 -1.431e+4 -1.8173e+2 -2.2344e+2
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 Ni++  =  NiSO4
-        -llnl_gamma           3.0    
-        log_k           +2.1257
-	-delta_H	2.36814	kJ/mol	# Calculated enthalpy of reaction	NiSO4
+SO4-2 + Ni+2 = NiSO4
+        -llnl_gamma 3
+        log_k 2.1257
+	-delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4
 #	Enthalpy of formation:	-229.734 kcal/mol
-        -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001
+        -analytic 6.1187e+1 2.4211e-2 -1.218e+3 -2.513e+1 -2.0705e+1
 #       -Range:  0-200
 
-1.0000 SeO4-- + 1.0000 Ni++  =  NiSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.6700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiSeO4
+SeO4-2 + Ni+2 = NiSeO4
+        -llnl_gamma 3
+        log_k 2.67
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 Np++++  =  Np(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.344
-	-delta_H	92.7067	kJ/mol	# Calculated enthalpy of reaction	Np(CO3)5-6
+
+5 HCO3- + Np+4 = Np(CO3)5-6 + 5 H+
+        -llnl_gamma 4
+        log_k -13.344
+	-delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6
 #	Enthalpy of formation:	-935.22 kcal/mol
-        -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002
+        -analytic 6.3005e+2 2.3388e-1 -1.8328e+4 -2.6334e+2 -2.8618e+2
 #       -Range:  0-300
 
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)2+
-        -llnl_gamma           4.0    
-        log_k           +3.7000
-	-delta_H	-1.55258	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)2+
+2 HPO4-2 + 2 H+ + Np+3 = Np(H2PO4)2+
+        -llnl_gamma 4
+        log_k 3.7
+	-delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+
 #	Enthalpy of formation:	-743.981 kcal/mol
-        -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002
+        -analytic 7.8161e+2 2.8446e-1 -1.233e+4 -3.3194e+2 -2.1056e+2
 #       -Range: 25-150
 
-3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++  =  Np(H2PO4)3
-        -llnl_gamma           3.0    
-        log_k           +5.6000
-	-delta_H	-21.8575	kJ/mol	# Calculated enthalpy of reaction	Np(H2PO4)3
+3 HPO4-2 + 3 H+ + Np+3 = Np(H2PO4)3
+        -llnl_gamma 3
+        log_k 5.6
+	-delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3
 #	Enthalpy of formation:	-1057.65 kcal/mol
-        -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002
+        -analytic 1.515e+3 4.4939e-1 -3.2766e+4 -6.1975e+2 -5.5934e+2
 #       -Range: 25-150
 
-2.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +23.7000
-	-delta_H	-35.24	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
+2 HPO4-2 + Np+4 = Np(HPO4)2
+        -llnl_gamma 3
+        log_k 23.7
+	-delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
 #	Enthalpy of formation:	-758.94 kcal/mol
-        -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001
+        -analytic 4.7722e+2 2.1099e-1 -4.7296e+3 -2.0229e+2 -8.0831e+1
 #       -Range: 25-150
 
-3.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +33.4000
-	-delta_H	-44.9093	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)3-2
+3 HPO4-2 + Np+4 = Np(HPO4)3-2
+        -llnl_gamma 4
+        log_k 33.4
+	-delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2
 #	Enthalpy of formation:	-1070.07 kcal/mol
-        -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002
+        -analytic -1.5951e+3 -3.6579e-1 5.1343e+4 6.3262e+2 8.7619e+2
 #       -Range: 25-150
 
-4.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)4----
-        -llnl_gamma           4.0    
-        log_k           +43.2000
-	-delta_H	-67.0803	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)4-4
+4 HPO4-2 + Np+4 = Np(HPO4)4-4
+        -llnl_gamma 4
+        log_k 43.2
+	-delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4
 #	Enthalpy of formation:	-1384.18 kcal/mol
-        -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003
+        -analytic 5.8359e+3 1.5194e+0 -1.6349e+5 -2.3025e+3 -2.7903e+3
 #       -Range: 25-150
 
-5.0000 HPO4-- + 1.0000 Np++++  =  Np(HPO4)5-6
-        -llnl_gamma           4.0    
-        log_k           +52.0000
-	-delta_H	-83.5401	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)5-6
+5 HPO4-2 + Np+4 = Np(HPO4)5-6
+        -llnl_gamma 4
+        log_k 52
+	-delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6
 #	Enthalpy of formation:	-1696.93 kcal/mol
-        -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003
+        -analytic -1.8082e+3 -2.0018e-1 7.5155e+4 6.74e+2 1.2824e+3
 #       -Range: 25-150
 
-2.0000 H2O + 1.0000 Np++++  =  Np(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.8
-	-delta_H	77.0669	kJ/mol	# Calculated enthalpy of reaction	Np(OH)2+2
+2 H2O + Np+4 = Np(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -2.8
+	-delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2
 #	Enthalpy of formation:	-251.102 kcal/mol
-        -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003
+        -analytic 2.9299e+3 6.5812e-1 -9.5085e+4 -1.1356e+3 -1.6227e+3
 #       -Range: 25-150
 
-3.0000 H2O + 1.0000 Np++++  =  Np(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.8
-	-delta_H	99.5392	kJ/mol	# Calculated enthalpy of reaction	Np(OH)3+
+3 H2O + Np+4 = Np(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k -5.8
+	-delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+
 #	Enthalpy of formation:	-314.048 kcal/mol
-        -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003
+        -analytic -4.7723e+3 -1.181e+0 1.3545e+5 1.885e+3 2.3117e+3
 #       -Range: 25-150
 
-4.0000 H2O + 1.0000 Np++++  =  Np(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.6
-	-delta_H	109.585	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
+4 H2O + Np+4 = Np(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k -9.6
+	-delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4
 #	Enthalpy of formation:	-379.964 kcal/mol
-        -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003
+        -analytic -5.5904e+3 -1.3639e+0 1.6112e+5 2.2013e+3 2.7498e+3
 #       -Range: 25-150
 
-2.0000 SO4-- + 1.0000 Np++++  =  Np(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +9.9000
-	-delta_H	40.005	kJ/mol	# Calculated enthalpy of reaction	Np(SO4)2
+2 SO4-2 + Np+4 = Np(SO4)2
+        -llnl_gamma 3
+        log_k 9.9
+	-delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2
 #	Enthalpy of formation:	-558.126 kcal/mol
-        -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002
+        -analytic -9.0765e+2 -1.8494e-1 2.7951e+4 3.5521e+2 4.7702e+2
 #       -Range: 25-150
 
-1.0000 Np++++ + 1.0000 Cl-  =  NpCl+++
-        -llnl_gamma           5.0    
-        log_k           +0.2000
-	-delta_H	20.3737	kJ/mol	# Calculated enthalpy of reaction	NpCl+3
+Np+4 + Cl- = NpCl+3
+        -llnl_gamma 5
+        log_k 0.2
+	-delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3
 #	Enthalpy of formation:	-167.951 kcal/mol
-        -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002
+        -analytic 8.3169e+2 2.6267e-1 -2.1618e+4 -3.3838e+2 -3.6898e+2
 #       -Range: 25-150
 
-2.0000 Cl- + 1.0000 Np++++  =  NpCl2++
-        -llnl_gamma           4.5    
-        log_k           -0.1
-	-delta_H	94.5853	kJ/mol	# Calculated enthalpy of reaction	NpCl2+2
+2 Cl- + Np+4 = NpCl2+2
+        -llnl_gamma 4.5
+        log_k -0.1
+	-delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2
 #	Enthalpy of formation:	-190.147 kcal/mol
-        -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002
+        -analytic -1.5751e+3 -3.8759e-1 4.2054e+4 6.2619e+2 7.1777e+2
 #       -Range: 25-150
 
-1.0000 Np++++ + 1.0000 F-  =  NpF+++
-        -llnl_gamma           5.0    
-        log_k           +8.7000
-	-delta_H	-3.43746	kJ/mol	# Calculated enthalpy of reaction	NpF+3
+Np+4 + F- = NpF+3
+        -llnl_gamma 5
+        log_k 8.7
+	-delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3
 #	Enthalpy of formation:	-213.859 kcal/mol
-        -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005
+        -analytic 2.7613e+0 1.3498e-3 -1.6411e+3 2.9074e+0 3.4192e+5
 #       -Range: 25-150
 
-2.0000 F- + 1.0000 Np++++  =  NpF2++
-        -llnl_gamma           4.5    
-        log_k           +15.4000
-	-delta_H	6.03094	kJ/mol	# Calculated enthalpy of reaction	NpF2+2
+2 F- + Np+4 = NpF2+2
+        -llnl_gamma 4.5
+        log_k 15.4
+	-delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2
 #	Enthalpy of formation:	-291.746 kcal/mol
-        -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002
+        -analytic -2.6793e+2 -4.2056e-2 9.7952e+3 1.0629e+2 1.6715e+2
 #       -Range: 25-150
 
-1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+  =  NpH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +2.4000
-	-delta_H	6.0874	kJ/mol	# Calculated enthalpy of reaction	NpH2PO4+2
+Np+3 + HPO4-2 + H+ = NpH2PO4+2
+        -llnl_gamma 4.5
+        log_k 2.4
+	-delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2
 #	Enthalpy of formation:	-433.34 kcal/mol
-        -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003
+        -analytic 6.0731e+3 1.4733e+0 -1.7919e+5 -2.388e+3 -3.0582e+3
 #       -Range: 25-150
 
-1.0000 Np++++ + 1.0000 HPO4--  =  NpHPO4++
-        -llnl_gamma           4.5    
-        log_k           +12.9000
-	-delta_H	7.54554	kJ/mol	# Calculated enthalpy of reaction	NpHPO4+2
+Np+4 + HPO4-2 = NpHPO4+2
+        -llnl_gamma 4.5
+        log_k 12.9
+	-delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2
 #	Enthalpy of formation:	-439.899 kcal/mol
-        -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003
+        -analytic -7.2792e+3 -1.7476e+0 2.177e+5 2.8624e+3 3.7154e+3
 #       -Range: 25-150
 
-2.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.6576
-	-delta_H	57.2588	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-2
+2 HCO3- + NpO2+2 = NpO2(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -6.6576
+	-delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2
 #	Enthalpy of formation:	-521.77 kcal/mol
-        -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002
+        -analytic 2.6597e+2 7.585e-2 -9.9987e+3 -1.0576e+2 -1.561e+2
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.6576
-	-delta_H	58.1553	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)2-3
+2 HCO3- + NpO2+ = NpO2(CO3)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -13.6576
+	-delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3
 #	Enthalpy of formation:	-549.642 kcal/mol
-        -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002
+        -analytic 2.6012e+2 7.3174e-2 -1.025e+4 -1.0556e+2 -1.6002e+2
 #       -Range:  0-300
 
-3.0000 HCO3- + 1.0000 NpO2+  =  NpO2(CO3)3-5 +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -22.4864
-	-delta_H	70.176	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-5
+3 HCO3- + NpO2+ = NpO2(CO3)3-5 + 3 H+
+        -llnl_gamma 4
+        log_k -22.4864
+	-delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5
 #	Enthalpy of formation:	-711.667 kcal/mol
-        -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002
+        -analytic 3.7433e+2 1.2938e-1 -1.2791e+4 -1.5861e+2 -1.997e+2
 #       -Range:  0-300
 
-3.0000 HCO3- + 1.0000 NpO2++  =  NpO2(CO3)3---- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.5864
-	-delta_H	3.14711	kJ/mol	# Calculated enthalpy of reaction	NpO2(CO3)3-4
+3 HCO3- + NpO2+2 = NpO2(CO3)3-4 + 3 H+
+        -llnl_gamma 4
+        log_k -10.5864
+	-delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4
 #	Enthalpy of formation:	-699.601 kcal/mol
-        -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002
+        -analytic 3.7956e+2 1.1163e-1 -1.0607e+4 -1.5674e+2 -1.6562e+2
 #       -Range:  0-300
 
-1.0000 NpO2+ + 1.0000 HCO3-  =  NpO2CO3- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7288
-	-delta_H	69.1634	kJ/mol	# Calculated enthalpy of reaction	NpO2CO3-
+NpO2+ + HCO3- = NpO2CO3- + H+
+        -llnl_gamma 4
+        log_k -5.7288
+	-delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3-
 #	Enthalpy of formation:	-382.113 kcal/mol
-        -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002
+        -analytic 1.4634e+2 2.6576e-2 -8.2036e+3 -5.3534e+1 -1.2805e+2
 #       -Range:  0-300
 
-1.0000 NpO2+ + 1.0000 Cl-  =  NpO2Cl
-        -llnl_gamma           3.0    
-        log_k           -0.4
-	-delta_H	15.4492	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl
+NpO2+ + Cl- = NpO2Cl
+        -llnl_gamma 3
+        log_k -0.4
+	-delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl
 #	Enthalpy of formation:	-269.986 kcal/mol
-        -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002
+        -analytic 4.5109e+2 9.0437e-2 -1.5453e+4 -1.7241e+2 -2.6371e+2
 #       -Range: 25-150
 
-1.0000 NpO2++ + 1.0000 Cl-  =  NpO2Cl+
-        -llnl_gamma           4.0    
-        log_k           -0.2
-	-delta_H	11.6239	kJ/mol	# Calculated enthalpy of reaction	NpO2Cl+
+NpO2+2 + Cl- = NpO2Cl+
+        -llnl_gamma 4
+        log_k -0.2
+	-delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+
 #	Enthalpy of formation:	-242.814 kcal/mol
-        -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002
+        -analytic -1.2276e+3 -2.5435e-1 3.8507e+4 4.7447e+2 6.5715e+2
 #       -Range: 25-150
 
-1.0000 NpO2+ + 1.0000 F-  =  NpO2F
-        -llnl_gamma           3.0    
-        log_k           +1.0000
-	-delta_H	34.2521	kJ/mol	# Calculated enthalpy of reaction	NpO2F
+NpO2+ + F- = NpO2F
+        -llnl_gamma 3
+        log_k 1
+	-delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F
 #	Enthalpy of formation:	-305.709 kcal/mol
-        -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001
+        -analytic -1.9364e+2 -4.4083e-2 4.5602e+3 7.7791e+1 7.784e+1
 #       -Range: 25-150
 
-1.0000 NpO2++ + 1.0000 F-  =  NpO2F+
-        -llnl_gamma           4.0    
-        log_k           +4.6000
-	-delta_H	0.883568	kJ/mol	# Calculated enthalpy of reaction	NpO2F+
+NpO2+2 + F- = NpO2F+
+        -llnl_gamma 4
+        log_k 4.6
+	-delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+
 #	Enthalpy of formation:	-285.598 kcal/mol
-        -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002
+        -analytic 9.632e+2 2.4799e-1 -2.7614e+4 -3.7985e+2 -4.7128e+2
 #       -Range: 25-150
 
-2.0000 F- + 1.0000 NpO2++  =  NpO2F2
-        -llnl_gamma           3.0    
-        log_k           +7.8000
-	-delta_H	2.60319	kJ/mol	# Calculated enthalpy of reaction	NpO2F2
+2 F- + NpO2+2 = NpO2F2
+        -llnl_gamma 3
+        log_k 7.8
+	-delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2
 #	Enthalpy of formation:	-365.337 kcal/mol
-        -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001
+        -analytic 1.9648e+2 6.4083e-2 -4.5601e+3 -7.779e+1 -7.784e+1
 #       -Range: 25-150
 
-1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4
-        -llnl_gamma           3.0    
-        log_k           +0.6000
-	-delta_H	18.717	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4
+NpO2+ + HPO4-2 + H+ = NpO2H2PO4
+        -llnl_gamma 3
+        log_k 0.6
+	-delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4
 #	Enthalpy of formation:	-538.087 kcal/mol
-        -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002
+        -analytic 1.089e+3 2.7738e-1 -3.0654e+4 -4.3171e+2 -5.2317e+2
 #       -Range: 25-150
 
-1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+  =  NpO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +2.3000
-	-delta_H	9.31014	kJ/mol	# Calculated enthalpy of reaction	NpO2H2PO4+
+NpO2+2 + HPO4-2 + H+ = NpO2H2PO4+
+        -llnl_gamma 4
+        log_k 2.3
+	-delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+
 #	Enthalpy of formation:	-512.249 kcal/mol
-        -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003
+        -analytic -5.6996e+3 -1.4008e+0 1.6898e+5 2.2441e+3 2.8838e+3
 #       -Range: 25-150
 
-1.0000 NpO2++ + 1.0000 HPO4--  =  NpO2HPO4
-        -llnl_gamma           3.0    
-        log_k           +8.2000
-	-delta_H	-6.47609	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4
+NpO2+2 + HPO4-2 = NpO2HPO4
+        -llnl_gamma 3
+        log_k 8.2
+	-delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4
 #	Enthalpy of formation:	-516.022 kcal/mol
-        -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003
+        -analytic 4.8515e+3 1.2189e+0 -1.4069e+5 -1.9135e+3 -2.4011e+3
 #       -Range: 25-150
 
-1.0000 NpO2+ + 1.0000 HPO4--  =  NpO2HPO4-
-        -llnl_gamma           4.0    
-        log_k           +3.5000
-	-delta_H	49.8668	kJ/mol	# Calculated enthalpy of reaction	NpO2HPO4-
+NpO2+ + HPO4-2 = NpO2HPO4-
+        -llnl_gamma 4
+        log_k 3.5
+	-delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4-
 #	Enthalpy of formation:	-530.642 kcal/mol
-        -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003
+        -analytic -4.1705e+3 -9.9302e-1 1.2287e+5 1.6399e+3 2.0969e+3
 #       -Range: 25-150
 
-1.0000 NpO2+ + 1.0000 H2O  =  NpO2OH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.9
-	-delta_H	43.6285	kJ/mol	# Calculated enthalpy of reaction	NpO2OH
+NpO2+ + H2O = NpO2OH + H+
+        -llnl_gamma 3
+        log_k -8.9
+	-delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH
 #	Enthalpy of formation:	-291.635 kcal/mol
-        -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002
+        -analytic -4.571e+2 -1.2286e-1 1.064e+4 1.8151e+2 1.8163e+2
 #       -Range: 25-150
 
-1.0000 NpO2++ + 1.0000 H2O  =  NpO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.2
-	-delta_H	43.3805	kJ/mol	# Calculated enthalpy of reaction	NpO2OH+
+NpO2+2 + H2O = NpO2OH+ + H+
+        -llnl_gamma 4
+        log_k -5.2
+	-delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+
 #	Enthalpy of formation:	-263.608 kcal/mol
-        -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002
+        -analytic 1.7485e+2 4.0017e-2 -7.5154e+3 -6.7399e+1 -1.2823e+2
 #       -Range: 25-150
 
-1.0000 SO4-- + 1.0000 NpO2++  =  NpO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.3000
-	-delta_H	19.8789	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4
+SO4-2 + NpO2+2 = NpO2SO4
+        -llnl_gamma 3
+        log_k 3.3
+	-delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4
 #	Enthalpy of formation:	-418.308 kcal/mol
-        -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002
+        -analytic -1.5624e+2 7.3296e-3 6.7555e+3 5.4435e+1 1.1527e+2
 #       -Range: 25-150
 
-1.0000 SO4-- + 1.0000 NpO2+  =  NpO2SO4-
-        -llnl_gamma           4.0    
-        log_k           +0.4000
-	-delta_H	19.1395	kJ/mol	# Calculated enthalpy of reaction	NpO2SO4-
+SO4-2 + NpO2+ = NpO2SO4-
+        -llnl_gamma 4
+        log_k 0.4
+	-delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4-
 #	Enthalpy of formation:	-446.571 kcal/mol
-        -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002
+        -analytic -3.1804e+2 -9.3472e-2 7.6002e+3 1.2965e+2 1.2973e+2
 #       -Range: 25-150
 
-1.0000 Np+++ + 1.0000 H2O  =  NpOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7
-	-delta_H	50.1031	kJ/mol	# Calculated enthalpy of reaction	NpOH+2
+Np+3 + H2O = NpOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7
+	-delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2
 #	Enthalpy of formation:	-182.322 kcal/mol
-        -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002
+        -analytic 1.4062e+2 3.2671e-2 -6.7555e+3 -5.4435e+1 -1.1526e+2
 #       -Range: 25-150
 
-1.0000 Np++++ + 1.0000 H2O  =  NpOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -1
-	-delta_H	51.0089	kJ/mol	# Calculated enthalpy of reaction	NpOH+3
+Np+4 + H2O = NpOH+3 + H+
+        -llnl_gamma 5
+        log_k -1
+	-delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3
 #	Enthalpy of formation:	-189.013 kcal/mol
-        -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001
+        -analytic -1.8373e+2 -5.2443e-2 2.7025e+3 7.6503e+1 4.6154e+1
 #       -Range: 25-150
 
-1.0000 SO4-- + 1.0000 Np++++  =  NpSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.5000
-	-delta_H	20.7377	kJ/mol	# Calculated enthalpy of reaction	NpSO4+2
+SO4-2 + Np+4 = NpSO4+2
+        -llnl_gamma 4.5
+        log_k 5.5
+	-delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2
 #	Enthalpy of formation:	-345.331 kcal/mol
-        -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002
+        -analytic 3.9477e+2 1.1981e-1 -1.0978e+4 -1.5687e+2 -1.8736e+2
 #       -Range: 25-150
 
-1.0000 H2O  =  OH- +1.0000 H+
-        -llnl_gamma           3.5    
-        log_k           -13.9951
-	-delta_H	55.8146	kJ/mol	# Calculated enthalpy of reaction	OH-
+H2O = OH- + H+
+        -llnl_gamma 3.5
+        log_k -13.9951
+	-delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH-
 #	Enthalpy of formation:	-54.977 kcal/mol
-        -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001
+        -analytic -6.7506e+1 -3.0619e-2 -1.9901e+3 2.8004e+1 -3.1033e+1
 #       -Range:  0-300
 
-2.0000 HPO4--  =  P2O7---- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           -3.7463
-	-delta_H	27.2256	kJ/mol	# Calculated enthalpy of reaction	P2O7-4
+2 HPO4-2 = P2O7-4 + H2O
+        -llnl_gamma 4
+        log_k -3.7463
+	-delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4
 #	Enthalpy of formation:	-2271.1 kJ/mol
-        -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002
+        -analytic 4.0885e+2 1.3243e-1 -1.1373e+4 -1.6727e+2 -1.7758e+2
 #       -Range:  0-300
 
-3.0000 H+ + 1.0000 HPO4--  =  PH4+ +2.0000 O2
-        -llnl_gamma           4.0    
-        log_k           -212.7409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PH4+
+3 H+ + HPO4-2 = PH4+ + 2 O2
+        -llnl_gamma 4
+        log_k -212.7409
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PH4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4-- + 1.0000 H+ + 1.0000 F-  =  PO3F-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +7.1993
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PO3F-2
+
+HPO4-2 + H+ + F- = PO3F-2 + H2O
+        -llnl_gamma 4
+        log_k 7.1993
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HPO4--  =  PO4--- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -12.3218
-	-delta_H	14.7068	kJ/mol	# Calculated enthalpy of reaction	PO4-3
+
+HPO4-2 = PO4-3 + H+
+        -llnl_gamma 4
+        log_k -12.3218
+	-delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3
 #	Enthalpy of formation:	-305.3 kcal/mol
-        -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000
+        -analytic -7.617e+1 -3.3574e-2 1.3405e+2 2.9658e+1 2.114e+0
 #       -Range:  0-300
 
-2.0000 BrO3- + 1.0000 Pb++  =  Pb(BrO3)2
-        -llnl_gamma           3.0    
-        log_k           +5.1939
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(BrO3)2
+2 BrO3- + Pb+2 = Pb(BrO3)2
+        -llnl_gamma 3
+        log_k 5.1939
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Pb++  =  Pb(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.1133
-	-delta_H	10.5437	kJ/mol	# Calculated enthalpy of reaction	Pb(Acetate)2
+
+2 HAcetate + Pb+2 = Pb(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -6.1133
+	-delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2
 #	Enthalpy of formation:	-229.46 kcal/mol
-        -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005
+        -analytic -1.7315e+1 -1.0618e-3 -3.6365e+3 6.9263e+0 5.8659e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Pb++  =  Pb(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.972
-	-delta_H	-2.84512	kJ/mol	# Calculated enthalpy of reaction	Pb(Acetate)3-
+3 HAcetate + Pb+2 = Pb(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -8.972
+	-delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3-
 #	Enthalpy of formation:	-348.76 kcal/mol
-        -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006
+        -analytic 1.2417e+1 -3.1481e-3 -9.4152e+3 -1.6846e+0 1.3623e+6
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Pb++  =  Pb(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.2576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
+2 HCO3- + Pb+2 = Pb(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -11.2576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 ClO3- + 1.0000 Pb++  =  Pb(ClO3)2
-        -llnl_gamma           3.0    
-        log_k           -0.5133
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
+
+2 ClO3- + Pb+2 = Pb(ClO3)2
+        -llnl_gamma 3
+        log_k -0.5133
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Pb++  =  Pb(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -17.0902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
+
+2 H2O + Pb+2 = Pb(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -17.0902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Pb++  =  Pb(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -28.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
+
+3 H2O + Pb+2 = Pb(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -28.0852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Pb++  =  Pb(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.2455
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
+
+2 Thiocyanate- + Pb+2 = Pb(Thiocyanate)2
+        -llnl_gamma 3
+        log_k 1.2455
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Pb++ + 1.0000 H2O  =  Pb2OH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -6.3951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
+
+2 Pb+2 + H2O = Pb2OH+3 + H+
+        -llnl_gamma 5
+        log_k -6.3951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Pb++  =  Pb3(OH)4++ +4.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -23.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
+
+4 H2O + 3 Pb+2 = Pb3(OH)4+2 + 4 H+
+        -llnl_gamma 4.5
+        log_k -23.8803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Pb++ + 4.0000 H2O  =  Pb4(OH)4++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -20.8803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
+
+4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k -20.8803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-8.0000 H2O + 6.0000 Pb++  =  Pb6(OH)8++++ +8.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -43.5606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
+
+8 H2O + 6 Pb+2 = Pb6(OH)8+4 + 8 H+
+        -llnl_gamma 5.5
+        log_k -43.5606
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 Br-  =  PbBr+
-        -llnl_gamma           4.0    
-        log_k           +1.1831
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr+
+
+Pb+2 + Br- = PbBr+
+        -llnl_gamma 4
+        log_k 1.1831
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Pb++  =  PbBr2
-        -llnl_gamma           3.0    
-        log_k           +1.5062
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr2
+
+2 Br- + Pb+2 = PbBr2
+        -llnl_gamma 3
+        log_k 1.5062
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Pb++  =  PbBr3-
-        -llnl_gamma           4.0    
-        log_k           +1.2336
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBr3-
+
+3 Br- + Pb+2 = PbBr3-
+        -llnl_gamma 4
+        log_k 1.2336
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 BrO3-  =  PbBrO3+
-        -llnl_gamma           4.0    
-        log_k           +1.9373
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrO3+
+
+Pb+2 + BrO3- = PbBrO3+
+        -llnl_gamma 4
+        log_k 1.9373
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 HAcetate  =  PbAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.3603
-	-delta_H	-2.33147e-15	kJ/mol	# Calculated enthalpy of reaction	PbAcetate+
+
+Pb+2 + HAcetate = PbAcetate+ + H+
+        -llnl_gamma 4
+        log_k -2.3603
+	-delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+
 #	Enthalpy of formation:	-115.88 kcal/mol
-        -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004
+        -analytic -2.6822e+1 1.0992e-3 7.3688e+2 8.4407e+0 7.0266e+4
 #       -Range:  0-300
 
-1.0000 Pb++ + 1.0000 HCO3-  =  PbCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.7488
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
+Pb+2 + HCO3- = PbCO3 + H+
+        -llnl_gamma 3
+        log_k -3.7488
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 Cl-  =  PbCl+
-        -llnl_gamma           4.0    
-        log_k           +1.4374
-	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
+
+Pb+2 + Cl- = PbCl+
+        -llnl_gamma 4
+        log_k 1.4374
+	-delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+
 #	Enthalpy of formation:	-38.63 kcal/mol
-        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
+        -analytic 1.1948e+2 4.3527e-2 -2.7666e+3 -4.919e+1 -4.3206e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Pb++  =  PbCl2
-        -llnl_gamma           3.0    
-        log_k           +2.0026
-	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
+2 Cl- + Pb+2 = PbCl2
+        -llnl_gamma 3
+        log_k 2.0026
+	-delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2
 #	Enthalpy of formation:	-77.7 kcal/mol
-        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
+        -analytic 2.2537e+2 7.7574e-2 -5.5112e+3 -9.2131e+1 -8.6064e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Pb++  =  PbCl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6881
-	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
+3 Cl- + Pb+2 = PbCl3-
+        -llnl_gamma 4
+        log_k 1.6881
+	-delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3-
 #	Enthalpy of formation:	-117.7 kcal/mol
-        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
+        -analytic 2.5254e+2 8.9159e-2 -6.0116e+3 -1.0395e+2 -9.388e+1
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Pb++  =  PbCl4--
-        -llnl_gamma           4.0    
-        log_k           +1.4909
-	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
+4 Cl- + Pb+2 = PbCl4-2
+        -llnl_gamma 4
+        log_k 1.4909
+	-delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2
 #	Enthalpy of formation:	-161.23 kcal/mol
-        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
+        -analytic 1.4048e+2 7.6332e-2 -1.1507e+3 -6.3786e+1 -1.7997e+1
 #       -Range:  0-300
 
-1.0000 Pb++ + 1.0000 ClO3-  =  PbClO3+
-        -llnl_gamma           4.0    
-        log_k           -0.2208
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
+Pb+2 + ClO3- = PbClO3+
+        -llnl_gamma 4
+        log_k -0.2208
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 F-  =  PbF+
-        -llnl_gamma           4.0    
-        log_k           +0.8284
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
+
+Pb+2 + F- = PbF+
+        -llnl_gamma 4
+        log_k 0.8284
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Pb++  =  PbF2
-        -llnl_gamma           3.0    
-        log_k           +1.6132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
+
+2 F- + Pb+2 = PbF2
+        -llnl_gamma 3
+        log_k 1.6132
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbF2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+  =  PbH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +1.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
+
+Pb+2 + HPO4-2 + H+ = PbH2PO4+
+        -llnl_gamma 4
+        log_k 1.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 HPO4--  =  PbHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+
+Pb+2 + HPO4-2 = PbHPO4
+        -llnl_gamma 3
+        log_k 3.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 I-  =  PbI+
-        -llnl_gamma           4.0    
-        log_k           +1.9597
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI+
+
+Pb+2 + I- = PbI+
+        -llnl_gamma 4
+        log_k 1.9597
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbI+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Pb++  =  PbI2
-        -llnl_gamma           3.0    
-        log_k           +2.7615
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI2
+
+2 I- + Pb+2 = PbI2
+        -llnl_gamma 3
+        log_k 2.7615
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbI2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Pb++  =  PbI3-
-        -llnl_gamma           4.0    
-        log_k           +3.3355
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI3-
+
+3 I- + Pb+2 = PbI3-
+        -llnl_gamma 4
+        log_k 3.3355
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbI3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Pb++  =  PbI4--
-        -llnl_gamma           4.0    
-        log_k           +4.0672
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbI4-2
+
+4 I- + Pb+2 = PbI4-2
+        -llnl_gamma 4
+        log_k 4.0672
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 NO3-  =  PbNO3+
-        -llnl_gamma           4.0    
-        log_k           +1.2271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
+
+Pb+2 + NO3- = PbNO3+
+        -llnl_gamma 4
+        log_k 1.2271
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pb++ + 1.0000 H2O  =  PbOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.6951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
+
+Pb+2 + H2O = PbOH+ + H+
+        -llnl_gamma 4
+        log_k -7.6951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pb++  =  PbP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +7.4136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
+
+2 HPO4-2 + Pb+2 = PbP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 7.4136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Thiocyanate- + 1.0000 Pb++  =  PbThiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +0.9827
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbThiocyanate+
+
+Thiocyanate- + Pb+2 = PbThiocyanate+
+        -llnl_gamma 4
+        log_k 0.9827
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pd++ + 1.0000 Cl-  =  PdCl+
-        -llnl_gamma           4.0    
-        log_k           +6.0993
-	-delta_H	-31.995	kJ/mol	# Calculated enthalpy of reaction	PdCl+
+
+Pd+2 + Cl- = PdCl+
+        -llnl_gamma 4
+        log_k 6.0993
+	-delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+
 #	Enthalpy of formation:	-5.5 kcal/mol
-        -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001
+        -analytic 7.2852e+1 3.6886e-2 7.3102e+2 -3.2402e+1 1.1385e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Pd++  =  PdCl2
-        -llnl_gamma           3.0    
-        log_k           +10.7327
-	-delta_H	-66.1658	kJ/mol	# Calculated enthalpy of reaction	PdCl2
+2 Cl- + Pd+2 = PdCl2
+        -llnl_gamma 3
+        log_k 10.7327
+	-delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2
 #	Enthalpy of formation:	-53.6 kcal/mol
-        -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001
+        -analytic 1.6849e+2 7.9321e-2 8.2874e+2 -7.4416e+1 1.2882e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Pd++  =  PdCl3-
-        -llnl_gamma           4.0    
-        log_k           +13.0937
-	-delta_H	-101.592	kJ/mol	# Calculated enthalpy of reaction	PdCl3-
+3 Cl- + Pd+2 = PdCl3-
+        -llnl_gamma 4
+        log_k 13.0937
+	-delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3-
 #	Enthalpy of formation:	-102 kcal/mol
-        -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002
+        -analytic 4.5978e+1 6.2999e-2 6.9333e+3 -3.0257e+1 1.0817e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Pd++  =  PdCl4--
-        -llnl_gamma           4.0    
-        log_k           +15.1615
-	-delta_H	-152.08	kJ/mol	# Calculated enthalpy of reaction	PdCl4-2
+4 Cl- + Pd+2 = PdCl4-2
+        -llnl_gamma 4
+        log_k 15.1615
+	-delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2
 #	Enthalpy of formation:	-154 kcal/mol
-        -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002
+        -analytic -3.2209e+1 5.3432e-2 1.218e+4 -3.7814e+0 1.9006e+2
 #       -Range:  0-300
 
-1.0000 Pd++ + 1.0000 H2O  =  PdO +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -2.19
-	-delta_H	6.43081	kJ/mol	# Calculated enthalpy of reaction	PdO
+Pd+2 + H2O = PdO + 2 H+
+        -llnl_gamma 3
+        log_k -2.19
+	-delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO
 #	Enthalpy of formation:	-24.7 kcal/mol
-        -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001
+        -analytic 1.3587e+2 2.9292e-2 -4.6645e+3 -5.2997e+1 -7.2825e+1
 #       -Range:  0-300
 
-1.0000 Pd++ + 1.0000 H2O  =  PdOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -1.0905
-	-delta_H	-3.19239	kJ/mol	# Calculated enthalpy of reaction	PdOH+
+Pd+2 + H2O = PdOH+ + H+
+        -llnl_gamma 4
+        log_k -1.0905
+	-delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+
 #	Enthalpy of formation:	-27 kcal/mol
-        -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000
+        -analytic 1.4291e+1 5.8382e-3 -1.9881e+2 -6.6475e+0 -3.1065e+0
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Pm+++  =  Pm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.9576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(CO3)2-
+2 HCO3- + Pm+3 = Pm(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.9576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(HPO4)2-
+
+2 HPO4-2 + Pm+3 = Pm(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Pm+++  =  Pm(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.7902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)2+
+
+2 H2O + Pm+3 = Pm(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.7902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Pm+++  =  Pm(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.1852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
+
+3 H2O + Pm+3 = Pm(OH)3 + 3 H+
+        -llnl_gamma 3
+        log_k -26.1852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pm+++  =  Pm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.6837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(PO4)2-3
+
+2 HPO4-2 + Pm+3 = Pm(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -4.6837
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Pm+++  =  Pm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(SO4)2-
+
+2 SO4-2 + Pm+3 = Pm(SO4)2-
+        -llnl_gamma 4
+        log_k 5.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HCO3-  =  PmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.6288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCO3+
+
+Pm+3 + HCO3- = PmCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.6288
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 Cl-  =  PmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmCl+2
+
+Pm+3 + Cl- = PmCl+2
+        -llnl_gamma 4.5
+        log_k 0.34
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 F-  =  PmF++
-        -llnl_gamma           4.5    
-        log_k           +3.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF+2
+
+Pm+3 + F- = PmF+2
+        -llnl_gamma 4.5
+        log_k 3.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+  =  PmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmH2PO4+2
+
+Pm+3 + HPO4-2 + H+ = PmH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.6054
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HCO3-  =  PmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +2.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHCO3+2
+
+Pm+3 + HCO3- = PmHCO3+2
+        -llnl_gamma 4.5
+        log_k 2.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4--  =  PmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmHPO4+
+
+Pm+3 + HPO4-2 = PmHPO4+
+        -llnl_gamma 4
+        log_k 5.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 NO3-  =  PmNO3++
-        -llnl_gamma           4.5    
-        log_k           +1.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmNO3+2
+
+Pm+3 + NO3- = PmNO3+2
+        -llnl_gamma 4.5
+        log_k 1.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 H2O  =  PmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmOH+2
+
+Pm+3 + H2O = PmOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.9951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pm+++ + 1.0000 HPO4--  =  PmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.3718
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4
+
+Pm+3 + HPO4-2 = PmPO4 + H+
+        -llnl_gamma 3
+        log_k -0.3718
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Pm+++  =  PmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmSO4+
+
+SO4-2 + Pm+3 = PmSO4+
+        -llnl_gamma 4
+        log_k 3.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Pr+++  =  Pr(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.8525
-	-delta_H	-23.8906	kJ/mol	# Calculated enthalpy of reaction	Pr(Acetate)2+
+
+2 HAcetate + Pr+3 = Pr(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.8525
+	-delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+
 #	Enthalpy of formation:	-406.71 kcal/mol
-        -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005
+        -analytic -1.6464e+1 6.2989e-4 -4.4771e+2 3.6947e+0 3.3816e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Pr+++  =  Pr(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.2023
-	-delta_H	-40.3756	kJ/mol	# Calculated enthalpy of reaction	Pr(Acetate)3
+3 HAcetate + Pr+3 = Pr(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.2023
+	-delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3
 #	Enthalpy of formation:	-526.75 kcal/mol
-        -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005
+        -analytic -1.2007e+1 4.9332e-4 0e+0 0e+0 3.2789e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Pr+++  =  Pr(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.1076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(CO3)2-
+2 HCO3- + Pr+3 = Pr(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -8.1076
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +8.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(HPO4)2-
+
+2 HPO4-2 + Pr+3 = Pr(HPO4)2-
+        -llnl_gamma 4
+        log_k 8.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Pr+++  =  Pr(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.5637
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(PO4)2-3
+
+2 HPO4-2 + Pr+3 = Pr(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -5.5637
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Pr+++  =  Pr(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(SO4)2-
+
+2 SO4-2 + Pr+3 = Pr(SO4)2-
+        -llnl_gamma 4
+        log_k 4.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pr+++ + 1.0000 HAcetate  =  PrAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.0451
-	-delta_H	-12.4683	kJ/mol	# Calculated enthalpy of reaction	PrAcetate+2
+
+Pr+3 + HAcetate = PrAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.0451
+	-delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2
 #	Enthalpy of formation:	-287.88 kcal/mol
-        -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005
+        -analytic -8.5624e+0 9.3878e-4 -5.7551e+2 2.2087e+0 2.4126e+5
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 HCO3-  =  PrCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7722
-	-delta_H	92.458	kJ/mol	# Calculated enthalpy of reaction	PrCO3+
+Pr+3 + HCO3- = PrCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.7722
+	-delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+
 #	Enthalpy of formation:	-311.6 kcal/mol
-        -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002
+        -analytic 2.2079e+2 5.2156e-2 -6.5821e+3 -8.7701e+1 -1.0277e+2
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 Cl-  =  PrCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	PrCl+2
+Pr+3 + Cl- = PrCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2
 #	Enthalpy of formation:	-205.3 kcal/mol
-        -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001
+        -analytic 7.5152e+1 3.7446e-2 -1.6661e+3 -3.249e+1 -2.602e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Pr+++  =  PrCl2+
-        -llnl_gamma           4.0    
-        log_k           +0.0308
-	-delta_H	20.3593	kJ/mol	# Calculated enthalpy of reaction	PrCl2+
+2 Cl- + Pr+3 = PrCl2+
+        -llnl_gamma 4
+        log_k 0.0308
+	-delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+
 #	Enthalpy of formation:	-243.8 kcal/mol
-        -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001
+        -analytic 2.2848e+2 8.125e-2 -6.0401e+3 -9.3909e+1 -9.4318e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Pr+++  =  PrCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3203
-	-delta_H	14.2214	kJ/mol	# Calculated enthalpy of reaction	PrCl3
+3 Cl- + Pr+3 = PrCl3
+        -llnl_gamma 3
+        log_k -0.3203
+	-delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3
 #	Enthalpy of formation:	-285.2 kcal/mol
-        -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002
+        -analytic 4.5016e+2 1.3095e-1 -1.2588e+4 -1.8075e+2 -1.9656e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Pr+++  =  PrCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.7447
-	-delta_H	-4.05011	kJ/mol	# Calculated enthalpy of reaction	PrCl4-
+4 Cl- + Pr+3 = PrCl4-
+        -llnl_gamma 4
+        log_k -0.7447
+	-delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4-
 #	Enthalpy of formation:	-329.5 kcal/mol
-        -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002
+        -analytic 5.4245e+2 1.3647e-1 -1.5564e+4 -2.1485e+2 -2.4302e+2
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 F-  =  PrF++
-        -llnl_gamma           4.5    
-        log_k           +4.2221
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	PrF+2
+Pr+3 + F- = PrF+2
+        -llnl_gamma 4.5
+        log_k 4.2221
+	-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2
 #	Enthalpy of formation:	-243.4 kcal/mol
-        -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001
+        -analytic 9.5146e+1 4.1115e-2 -2.5463e+3 -3.8236e+1 -3.976e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Pr+++  =  PrF2+
-        -llnl_gamma           4.0    
-        log_k           +7.3447
-	-delta_H	14.644	kJ/mol	# Calculated enthalpy of reaction	PrF2+
+2 F- + Pr+3 = PrF2+
+        -llnl_gamma 4
+        log_k 7.3447
+	-delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+
 #	Enthalpy of formation:	-325.6 kcal/mol
-        -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001
+        -analytic 2.4997e+2 8.5251e-2 -6.1908e+3 -9.9912e+1 -9.6675e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Pr+++  =  PrF3
-        -llnl_gamma           3.0    
-        log_k           +9.6610
-	-delta_H	-6.4852	kJ/mol	# Calculated enthalpy of reaction	PrF3
+3 F- + Pr+3 = PrF3
+        -llnl_gamma 3
+        log_k 9.661
+	-delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3
 #	Enthalpy of formation:	-410.8 kcal/mol
-        -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002
+        -analytic 4.7885e+2 1.3764e-1 -1.208e+4 -1.898e+2 -1.8864e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Pr+++  =  PrF4-
-        -llnl_gamma           4.0    
-        log_k           +11.5375
-	-delta_H	-47.2792	kJ/mol	# Calculated enthalpy of reaction	PrF4-
+4 F- + Pr+3 = PrF4-
+        -llnl_gamma 4
+        log_k 11.5375
+	-delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4-
 #	Enthalpy of formation:	-500.7 kcal/mol
-        -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002
+        -analytic 5.5774e+2 1.4067e-1 -1.3523e+4 -2.1933e+2 -2.1118e+2
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+  =  PrH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5950
-	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	PrH2PO4+2
+Pr+3 + HPO4-2 + H+ = PrH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.595
+	-delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2
 #	Enthalpy of formation:	-481.5 kcal/mol
-        -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000
+        -analytic 1.0501e+2 6.3059e-2 3.8161e+2 -4.6656e+1 5.9234e+0
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 HCO3-  =  PrHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.9190
-	-delta_H	-12.9788	kJ/mol	# Calculated enthalpy of reaction	PrHCO3+2
+Pr+3 + HCO3- = PrHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.919
+	-delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2
 #	Enthalpy of formation:	-336.8 kcal/mol
-        -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001
+        -analytic 2.201e+1 2.8541e-2 1.4574e+3 -1.3522e+1 2.2734e+1
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 HPO4--  =  PrHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrHPO4+
+Pr+3 + HPO4-2 = PrHPO4+
+        -llnl_gamma 4
+        log_k 5.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pr+++ + 1.0000 NO3-  =  PrNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.6546
-	-delta_H	-27.9115	kJ/mol	# Calculated enthalpy of reaction	PrNO3+2
+
+Pr+3 + NO3- = PrNO3+2
+        -llnl_gamma 4.5
+        log_k 0.6546
+	-delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2
 #	Enthalpy of formation:	-224.9 kcal/mol
-        -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001
+        -analytic 1.4297e+1 2.5214e-2 2.1756e+3 -1.149e+1 3.3943e+1
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 H2O  =  PrO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.29
-	-delta_H	117.642	kJ/mol	# Calculated enthalpy of reaction	PrO+
+Pr+3 + H2O = PrO+ + 2 H+
+        -llnl_gamma 4
+        log_k -17.29
+	-delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+
 #	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002
+        -analytic 1.7927e+2 2.9467e-2 -1.3815e+4 -6.4259e+1 -2.1562e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Pr+++  =  PrO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -37.5852
-	-delta_H	301.39	kJ/mol	# Calculated enthalpy of reaction	PrO2-
+2 H2O + Pr+3 = PrO2- + 4 H+
+        -llnl_gamma 4
+        log_k -37.5852
+	-delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2-
 #	Enthalpy of formation:	-233.4 kcal/mol
-        -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005
+        -analytic -4.448e+1 -1.6327e-2 -7.9031e+3 1.9348e+1 -8.544e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Pr+++  =  PrO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -26.5901
-	-delta_H	231.517	kJ/mol	# Calculated enthalpy of reaction	PrO2H
+2 H2O + Pr+3 = PrO2H + 3 H+
+        -llnl_gamma 3
+        log_k -26.5901
+	-delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H
 #	Enthalpy of formation:	-250.1 kcal/mol
-        -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002
+        -analytic 3.393e+2 4.4894e-2 -2.3769e+4 -1.2106e+2 -3.7099e+2
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 H2O  =  PrOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -8.274
-	-delta_H	81.2407	kJ/mol	# Calculated enthalpy of reaction	PrOH+2
+Pr+3 + H2O = PrOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -8.274
+	-delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2
 #	Enthalpy of formation:	-217.7 kcal/mol
-        -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001
+        -analytic 5.6599e+1 1.1073e-2 -5.9197e+3 -1.9525e+1 -9.2388e+1
 #       -Range:  0-300
 
-1.0000 Pr+++ + 1.0000 HPO4--  =  PrPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.7218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4
+Pr+3 + HPO4-2 = PrPO4 + H+
+        -llnl_gamma 3
+        log_k -0.7218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Pr+++  =  PrSO4+
-        -llnl_gamma           4.0    
-        log_k           -3.687
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	PrSO4+
+
+SO4-2 + Pr+3 = PrSO4+
+        -llnl_gamma 4
+        log_k -3.687
+	-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+
 #	Enthalpy of formation:	-381.5 kcal/mol
-        -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002
+        -analytic 2.9156e+2 8.4671e-2 -1.0638e+4 -1.1509e+2 -1.6608e+2
 #       -Range:  0-300
 
-2.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +23.8483
-	-delta_H	25.9279	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
+2 HPO4-2 + Pu+4 = Pu(HPO4)2
+        -llnl_gamma 3
+        log_k 23.8483
+	-delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
 #	Enthalpy of formation:	-3094.13 kJ/mol
-        -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002
+        -analytic 9.2387e+2 3.2577e-1 -2.0881e+4 -3.7466e+2 -3.5492e+2
 #       -Range:  0-200
 
-3.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +33.4599
-	-delta_H	-6.49412	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)3-2
+3 HPO4-2 + Pu+4 = Pu(HPO4)3-2
+        -llnl_gamma 4
+        log_k 33.4599
+	-delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2
 #	Enthalpy of formation:	-4418.63 kJ/mol
-        -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002
+        -analytic 6.4515e+2 2.3011e-1 -1.2752e+4 -2.5761e+2 -1.9917e+2
 #       -Range:  0-300
 
-4.0000 HPO4-- + 1.0000 Pu++++  =  Pu(HPO4)4----
-        -llnl_gamma           4.0    
-        log_k           +43.2467
-	-delta_H	-77.4832	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)4-4
+4 HPO4-2 + Pu+4 = Pu(HPO4)4-4
+        -llnl_gamma 4
+        log_k 43.2467
+	-delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4
 #	Enthalpy of formation:	-5781.7 kJ/mol
-        -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002
+        -analytic 8.5301e+2 3.073e-1 -1.3644e+4 -3.4573e+2 -2.1316e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Pu++++  =  Pu(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.3235
-	-delta_H	74.3477	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)2+2
+2 H2O + Pu+4 = Pu(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -2.3235
+	-delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2
 #	Enthalpy of formation:	-1033.22 kJ/mol
-        -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001
+        -analytic 7.5979e+1 6.8394e-3 -6.371e+3 -2.3833e+1 -9.9435e+1
 #       -Range:  0-300
 
-3.0000 H2O + 1.0000 Pu++++  =  Pu(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.281
-	-delta_H	96.578	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3+
+3 H2O + Pu+4 = Pu(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k -5.281
+	-delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+
 #	Enthalpy of formation:	-1296.83 kJ/mol
-        -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002
+        -analytic 1.0874e+2 1.4199e-2 -8.4954e+3 -3.6278e+1 -1.3259e+2
 #       -Range:  0-300
 
-4.0000 H2O + 1.0000 Pu++++  =  Pu(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.5174
-	-delta_H	109.113	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
+4 H2O + Pu+4 = Pu(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k -9.5174
+	-delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
 #	Enthalpy of formation:	-1570.13 kJ/mol
-        -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002
+        -analytic 2.7913e+2 1.0252e-1 -1.1289e+4 -1.1369e+2 -1.9181e+2
 #       -Range:  0-200
 
-2.0000 SO4-- + 1.0000 Pu++++  =  Pu(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +10.2456
-	-delta_H	41.0122	kJ/mol	# Calculated enthalpy of reaction	Pu(SO4)2
+2 SO4-2 + Pu+4 = Pu(SO4)2
+        -llnl_gamma 3
+        log_k 10.2456
+	-delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2
 #	Enthalpy of formation:	-2314.08 kJ/mol
-        -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002
+        -analytic 5.3705e+2 1.9308e-1 -1.3213e+4 -2.1824e+2 -2.2457e+2
 #       -Range:  0-200
 
-2.0000 SO4-- + 1.0000 Pu+++  =  Pu(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +6.3200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pu(SO4)2-
+2 SO4-2 + Pu+3 = Pu(SO4)2-
+        -llnl_gamma 4
+        log_k 6.32
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pu++++ + 1.0000 F-  =  PuF+++
-        -llnl_gamma           5.0    
-        log_k           +8.4600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF+3
+
+Pu+4 + F- = PuF+3
+        -llnl_gamma 5
+        log_k 8.46
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Pu++++  =  PuF2++
-        -llnl_gamma           4.5    
-        log_k           +15.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF2+2
+
+2 F- + Pu+4 = PuF2+2
+        -llnl_gamma 4.5
+        log_k 15.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Pu++++  =  PuF3+
-        -llnl_gamma           4.0    
-        log_k           +5.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF3+
+
+3 F- + Pu+4 = PuF3+
+        -llnl_gamma 4
+        log_k 5.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Pu++++  =  PuF4
-        -llnl_gamma           3.0    
-        log_k           +4.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PuF4
+
+4 F- + Pu+4 = PuF4
+        -llnl_gamma 3
+        log_k 4.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PuF4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+  =  PuH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6817
-	-delta_H	28.597	kJ/mol	# Calculated enthalpy of reaction	PuH2PO4+2
+
+Pu+3 + HPO4-2 + H+ = PuH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.6817
+	-delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2
 #	Enthalpy of formation:	-1855.04 kJ/mol
-        -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002
+        -analytic 2.1595e+2 6.4502e-2 -6.4723e+3 -8.2341e+1 -1.0106e+2
 #       -Range:  0-300
 
-1.0000 Pu++++ + 1.0000 HPO4--  =  PuHPO4++
-        -llnl_gamma           4.5    
-        log_k           +13.0103
-	-delta_H	40.306	kJ/mol	# Calculated enthalpy of reaction	PuHPO4+2
+Pu+4 + HPO4-2 = PuHPO4+2
+        -llnl_gamma 4.5
+        log_k 13.0103
+	-delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2
 #	Enthalpy of formation:	-1787.67 kJ/mol
-        -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002
+        -analytic 2.2662e+2 7.1073e-2 -6.9134e+3 -8.5504e+1 -1.0794e+2
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 PuO2++  =  PuO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.7428
-	-delta_H	52.3345	kJ/mol	# Calculated enthalpy of reaction	PuO2(CO3)2-2
+2 HCO3- + PuO2+2 = PuO2(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -5.7428
+	-delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2
 #	Enthalpy of formation:	-2149.11 kJ/mol
-        -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002
+        -analytic 2.6589e+2 7.6132e-2 -9.7187e+3 -1.0577e+2 -1.5173e+2
 #       -Range:  0-300
 
-1.0000 PuO2++ + 1.0000 Cl-  =  PuO2Cl+
-        -llnl_gamma           4.0    
-        log_k           -0.2084
-	-delta_H	11.6127	kJ/mol	# Calculated enthalpy of reaction	PuO2Cl+
+PuO2+2 + Cl- = PuO2Cl+
+        -llnl_gamma 4
+        log_k -0.2084
+	-delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+
 #	Enthalpy of formation:	-977.045 kJ/mol
-        -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001
+        -analytic 9.8385e+1 3.8617e-2 -2.521e+3 -4.1075e+1 -3.9367e+1
 #       -Range:  0-300
 
-1.0000 PuO2++ + 1.0000 F-  =  PuO2F+
-        -llnl_gamma           4.0    
-        log_k           +5.6674
-	-delta_H	-5.2094	kJ/mol	# Calculated enthalpy of reaction	PuO2F+
+PuO2+2 + F- = PuO2F+
+        -llnl_gamma 4
+        log_k 5.6674
+	-delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+
 #	Enthalpy of formation:	-1162.13 kJ/mol
-        -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001
+        -analytic 1.1412e+2 4.1224e-2 -2.0503e+3 -4.6009e+1 -3.2027e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 PuO2++  =  PuO2F2
-        -llnl_gamma           3.0    
-        log_k           +10.9669
-	-delta_H	-15.4738	kJ/mol	# Calculated enthalpy of reaction	PuO2F2
+2 F- + PuO2+2 = PuO2F2
+        -llnl_gamma 3
+        log_k 10.9669
+	-delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2
 #	Enthalpy of formation:	-1507.75 kJ/mol
-        -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001
+        -analytic 2.5502e+2 9.1597e-2 -4.4557e+3 -1.0362e+2 -7.5752e+1
 #       -Range:  0-200
 
-3.0000 F- + 1.0000 PuO2++  =  PuO2F3-
-        -llnl_gamma           4.0    
-        log_k           +15.9160
-	-delta_H	-29.4032	kJ/mol	# Calculated enthalpy of reaction	PuO2F3-
+3 F- + PuO2+2 = PuO2F3-
+        -llnl_gamma 4
+        log_k 15.916
+	-delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3-
 #	Enthalpy of formation:	-1857.02 kJ/mol
-        -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002
+        -analytic 3.6102e+2 8.6364e-2 -8.7129e+3 -1.3805e+2 -1.3606e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 PuO2++  =  PuO2F4--
-        -llnl_gamma           4.0    
-        log_k           +18.7628
-	-delta_H	-39.9786	kJ/mol	# Calculated enthalpy of reaction	PuO2F4-2
+4 F- + PuO2+2 = PuO2F4-2
+        -llnl_gamma 4
+        log_k 18.7628
+	-delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2
 #	Enthalpy of formation:	-2202.95 kJ/mol
-        -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002
+        -analytic 4.6913e+2 1.3649e-1 -9.8336e+3 -1.851e+2 -1.5358e+2
 #       -Range:  0-300
 
-1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+  =  PuO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +11.2059
-	-delta_H	-6.63904	kJ/mol	# Calculated enthalpy of reaction	PuO2H2PO4+
+PuO2+2 + HPO4-2 + H+ = PuO2H2PO4+
+        -llnl_gamma 4
+        log_k 11.2059
+	-delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+
 #	Enthalpy of formation:	-2120.3 kJ/mol
-        -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001
+        -analytic 2.1053e+2 6.8671e-2 -4.339e+3 -8.293e+1 -6.7768e+1
 #       -Range:  0-300
 
-1.0000 PuO2+ + 1.0000 H2O  =  PuO2OH +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -9.6674
-	-delta_H	69.1763	kJ/mol	# Calculated enthalpy of reaction	PuO2OH
+PuO2+ + H2O = PuO2OH + H+
+        -llnl_gamma 3
+        log_k -9.6674
+	-delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH
 #	Enthalpy of formation:	-1130.85 kJ/mol
-        -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001
+        -analytic 7.108e+1 2.6141e-2 -5.0337e+3 -2.8956e+1 -8.5504e+1
 #       -Range:  0-200
 
-1.0000 PuO2++ + 1.0000 H2O  =  PuO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.6379
-	-delta_H	45.2823	kJ/mol	# Calculated enthalpy of reaction	PuO2OH+
+PuO2+2 + H2O = PuO2OH+ + H+
+        -llnl_gamma 4
+        log_k -5.6379
+	-delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+
 #	Enthalpy of formation:	-1062.13 kJ/mol
-        -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005
+        -analytic -3.9012e+0 1.1645e-3 -1.1299e+3 1.3419e+0 -1.4364e+5
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 PuO2++  =  PuO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.2658
-	-delta_H	20.0746	kJ/mol	# Calculated enthalpy of reaction	PuO2SO4
+SO4-2 + PuO2+2 = PuO2SO4
+        -llnl_gamma 3
+        log_k 3.2658
+	-delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4
 #	Enthalpy of formation:	-1711.11 kJ/mol
-        -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001
+        -analytic 2.0363e+2 7.3903e-2 -5.194e+3 -8.2833e+1 -8.8273e+1
 #       -Range:  0-200
 
-1.0000 Pu+++ + 1.0000 H2O  =  PuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.968
-	-delta_H	53.5143	kJ/mol	# Calculated enthalpy of reaction	PuOH+2
+Pu+3 + H2O = PuOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.968
+	-delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2
 #	Enthalpy of formation:	-823.876 kJ/mol
-        -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005
+        -analytic 3.0065e+0 3.0278e-3 -1.9675e+3 -1.61e+0 -1.1524e+5
 #       -Range:  0-300
 
-1.0000 Pu++++ + 1.0000 H2O  =  PuOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.5048
-	-delta_H	48.1823	kJ/mol	# Calculated enthalpy of reaction	PuOH+3
+Pu+4 + H2O = PuOH+3 + H+
+        -llnl_gamma 5
+        log_k -0.5048
+	-delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3
 #	Enthalpy of formation:	-773.549 kJ/mol
-        -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001
+        -analytic 4.1056e+1 1.1119e-3 -3.9252e+3 -1.1609e+1 -6.126e+1
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 Pu+++  =  PuSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.4935
-	-delta_H	14.6006	kJ/mol	# Calculated enthalpy of reaction	PuSO4+
+SO4-2 + Pu+3 = PuSO4+
+        -llnl_gamma 4
+        log_k 3.4935
+	-delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+
 #	Enthalpy of formation:	-1486.55 kJ/mol
-        -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001
+        -analytic 1.9194e+2 7.7154e-2 -4.2751e+3 -7.9646e+1 -6.6765e+1
 #       -Range:  0-300
 
-1.0000 SO4-- + 1.0000 Pu++++  =  PuSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.7710
-	-delta_H	12.3336	kJ/mol	# Calculated enthalpy of reaction	PuSO4+2
+SO4-2 + Pu+4 = PuSO4+2
+        -llnl_gamma 4.5
+        log_k 5.771
+	-delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2
 #	Enthalpy of formation:	-1433.16 kJ/mol
-        -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001
+        -analytic 1.9418e+2 7.5477e-2 -4.2767e+3 -7.9425e+1 -6.6792e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Ra++  =  Ra(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9018
-	-delta_H	21.0874	kJ/mol	# Calculated enthalpy of reaction	Ra(Acetate)2
+2 HAcetate + Ra+2 = Ra(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.9018
+	-delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2
 #	Enthalpy of formation:	-353.26 kcal/mol
-        -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005
+        -analytic 2.2767e+1 3.1254e-3 -6.4558e+3 -7.2253e+0 7.0689e+5
 #       -Range:  0-300
 
-1.0000 Ra++ + 1.0000 HAcetate  =  RaAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.709
-	-delta_H	11.7989	kJ/mol	# Calculated enthalpy of reaction	RaAcetate+
+Ra+2 + HAcetate = RaAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.709
+	-delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+
 #	Enthalpy of formation:	-239.38 kcal/mol
-        -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004
+        -analytic -1.8268e+1 2.9956e-3 1.9313e+1 5.2767e+0 4.9771e+4
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Rb+  =  Rb(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.7636
-	-delta_H	-1.12968	kJ/mol	# Calculated enthalpy of reaction	Rb(Acetate)2-
+2 HAcetate + Rb+ = Rb(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -9.7636
+	-delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2-
 #	Enthalpy of formation:	-292.49 kcal/mol
-        -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001
+        -analytic -1.9198e+2 -4.2101e-2 5.5792e+3 7.1152e+1 8.7114e+1
 #       -Range:  0-300
 
-1.0000 Rb+ + 1.0000 Br-  =  RbBr
-        -llnl_gamma           3.0    
-        log_k           -1.2168
-	-delta_H	13.9327	kJ/mol	# Calculated enthalpy of reaction	RbBr
+Rb+ + Br- = RbBr
+        -llnl_gamma 3
+        log_k -1.2168
+	-delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr
 #	Enthalpy of formation:	-85.73 kcal/mol
-        -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001
+        -analytic 1.2054e+2 3.3825e-2 -3.95e+3 -4.792e+1 -6.1671e+1
 #       -Range:  0-300
 
-1.0000 Rb+ + 1.0000 HAcetate  =  RbAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.7279
-	-delta_H	4.89528	kJ/mol	# Calculated enthalpy of reaction	RbAcetate
+Rb+ + HAcetate = RbAcetate + H+
+        -llnl_gamma 3
+        log_k -4.7279
+	-delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate
 #	Enthalpy of formation:	-174.95 kcal/mol
-        -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005
+        -analytic 1.5661e+1 -2.423e-3 -2.528e+3 -5.4433e+0 2.0344e+5
 #       -Range:  0-300
 
-1.0000 Rb+ + 1.0000 Cl-  =  RbCl
-        -llnl_gamma           3.0    
-        log_k           -0.9595
-	-delta_H	13.1922	kJ/mol	# Calculated enthalpy of reaction	RbCl
+Rb+ + Cl- = RbCl
+        -llnl_gamma 3
+        log_k -0.9595
+	-delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl
 #	Enthalpy of formation:	-96.8 kcal/mol
-        -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001
+        -analytic 1.2689e+2 3.5557e-2 -4.0822e+3 -5.0412e+1 -6.3736e+1
 #       -Range:  0-300
 
-1.0000 Rb+ + 1.0000 F-  =  RbF
-        -llnl_gamma           3.0    
-        log_k           +0.9602
-	-delta_H	1.92464	kJ/mol	# Calculated enthalpy of reaction	RbF
+Rb+ + F- = RbF
+        -llnl_gamma 3
+        log_k 0.9602
+	-delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF
 #	Enthalpy of formation:	-139.71 kcal/mol
-        -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001
+        -analytic 1.3893e+2 3.8188e-2 -3.8677e+3 -5.5109e+1 -6.0393e+1
 #       -Range:  0-300
 
-1.0000 Rb+ + 1.0000 I-  =  RbI
-        -llnl_gamma           3.0    
-        log_k           -0.8136
-	-delta_H	7.1128	kJ/mol	# Calculated enthalpy of reaction	RbI
+Rb+ + I- = RbI
+        -llnl_gamma 3
+        log_k -0.8136
+	-delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI
 #	Enthalpy of formation:	-71.92 kcal/mol
-        -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001
+        -analytic 1.1486e+2 3.3121e-2 -3.4217e+3 -4.6096e+1 -5.3426e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)2+
-        -llnl_gamma           4.0    
-        log_k           +3.7527
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)2+
+2 Cl- + Ru+3 = Ru(Cl)2+
+        -llnl_gamma 4
+        log_k 3.7527
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Ru+++  =  Ru(Cl)3
-        -llnl_gamma           3.0    
-        log_k           +4.2976
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(Cl)3
+
+3 Cl- + Ru+3 = Ru(Cl)3
+        -llnl_gamma 3
+        log_k 4.2976
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Ru+++  =  Ru(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.5148
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2+
+
+2 H2O + Ru+3 = Ru(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -3.5148
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru(OH)2++ + 1.0000 Cl-  =  Ru(OH)2Cl+
-        -llnl_gamma           4.0    
-        log_k           +1.3858
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl+
+
+Ru(OH)2+2 + Cl- = Ru(OH)2Cl+
+        -llnl_gamma 4
+        log_k 1.3858
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl2
-        -llnl_gamma           3.0    
-        log_k           +1.8081
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl2
+
+2 Cl- + Ru(OH)2+2 = Ru(OH)2Cl2
+        -llnl_gamma 3
+        log_k 1.8081
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6172
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl3-
+
+3 Cl- + Ru(OH)2+2 = Ru(OH)2Cl3-
+        -llnl_gamma 4
+        log_k 1.6172
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Ru(OH)2++  =  Ru(OH)2Cl4--
-        -llnl_gamma           4.0    
-        log_k           +2.7052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2Cl4-2
+
+4 Cl- + Ru(OH)2+2 = Ru(OH)2Cl4-2
+        -llnl_gamma 4
+        log_k 2.7052
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru(OH)2++  =  Ru(OH)2SO4
-        -llnl_gamma           3.0    
-        log_k           +1.7941
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)2SO4
+
+SO4-2 + Ru(OH)2+2 = Ru(OH)2SO4
+        -llnl_gamma 3
+        log_k 1.7941
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 #3.0000 H2O + 1.0000 Ru++ + 0.5000 O2  =  Ru(OH)4 +2.0000 H+
 # Ru(OH)2++ +1.0000 H2O +0.5000 O2  =  4.0000 H+ + 1.0000 RuO4--             log_k           -25.2470
 # 4.0000 H+ + 1.0000 RuO4--  =  Ru++ +2.0000 H2O +1.0000 O2                  log_k           +0.1610
 #1 + 2 + 3
-2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+ 
-        -llnl_gamma           3.0    
+2 H2O + Ru(OH)2+2 = Ru(OH)4 + 2 H+
+        -llnl_gamma 3
 #        log_k           +18.0322
-	log_k		-7.0538
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)4
+	log_k -7.0538
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Ru+++  =  Ru(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +3.0627
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(SO4)2-
+
+2 SO4-2 + Ru+3 = Ru(SO4)2-
+        -llnl_gamma 4
+        log_k 3.0627
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Ru(OH)2++ + 4.0000 H2O  =  Ru4(OH)12++++ +4.0000 H+
-        -llnl_gamma           5.5    
-        log_k           +7.1960
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru4(OH)12+4
+
+4 Ru(OH)2+2 + 4 H2O = Ru4(OH)12+4 + 4 H+
+        -llnl_gamma 5.5
+        log_k 7.196
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru++ + 1.0000 Cl-  =  RuCl+
-        -llnl_gamma           4.0    
-        log_k           -0.4887
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+
+
+Ru+2 + Cl- = RuCl+
+        -llnl_gamma 4
+        log_k -0.4887
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru+++ + 1.0000 Cl-  =  RuCl++
-        -llnl_gamma           4.5    
-        log_k           +2.1742
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl+2
+
+Ru+3 + Cl- = RuCl+2
+        -llnl_gamma 4.5
+        log_k 2.1742
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Ru+++  =  RuCl4-
-        -llnl_gamma           4.0    
-        log_k           +4.1418
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl4-
+
+4 Cl- + Ru+3 = RuCl4-
+        -llnl_gamma 4
+        log_k 4.1418
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 Cl- + 1.0000 Ru+++  =  RuCl5--
-        -llnl_gamma           4.0    
-        log_k           +3.8457
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl5-2
+
+5 Cl- + Ru+3 = RuCl5-2
+        -llnl_gamma 4
+        log_k 3.8457
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 Cl- + 1.0000 Ru+++  =  RuCl6---
-        -llnl_gamma           4.0    
-        log_k           +3.4446
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl6-3
+
+6 Cl- + Ru+3 = RuCl6-3
+        -llnl_gamma 4
+        log_k 3.4446
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Ru+++ + 1.0000 H2O  =  RuOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.2392
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuOH+2
+
+Ru+3 + H2O = RuOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.2392
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru++  =  RuSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3547
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4
+
+SO4-2 + Ru+2 = RuSO4
+        -llnl_gamma 3
+        log_k 2.3547
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 SO4-- + 1.0000 Ru+++  =  RuSO4+
-        -llnl_gamma           4.0    
-        log_k           +1.9518
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSO4+
+
+SO4-2 + Ru+3 = RuSO4+
+        -llnl_gamma 4
+        log_k 1.9518
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 HS-  =  S-- +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -12.9351
-	-delta_H	49.0364	kJ/mol	# Calculated enthalpy of reaction	S-2
+
+HS- = S-2 + H+
+        -llnl_gamma 5
+        log_k -12.9351
+	-delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2
 #	Enthalpy of formation:	32.928 kJ/mol
-        -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001
+        -analytic 9.7756e+1 3.2913e-2 -5.0784e+3 -4.1812e+1 -7.9273e+1
 #       -Range:  0-300
 
-2.0000 H+  + 2.0000 SO3--  = S2O5--  + H2O
-        -llnl_gamma           4.0    
-        log_k           9.5934
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	S2O5-2
+2 H+ + 2 SO3-2 = S2O5-2 + H2O
+        -llnl_gamma 4
+        log_k 9.5934
+	-delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 0.12262E+03    0.62883E-01   -0.18005E+04   -0.50798E+02   -0.28132E+02
+        -analytic 0.12262E+3 0.62883E-1 -0.18005E+4 -0.50798E+2 -0.28132E+2
 #       -Range:  0-300
 
-2.0000 H+ + 1.0000 SO3--  =  SO2 +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +9.0656
-	-delta_H	26.7316	kJ/mol	# Calculated enthalpy of reaction	SO2
+2 H+ + SO3-2 = SO2 + H2O
+        -llnl_gamma 3
+        log_k 9.0656
+	-delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2
 #	Enthalpy of formation:	-77.194 kcal/mol
-        -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001
+        -analytic 9.4048e+1 6.2127e-2 -1.1072e+3 -4.031e+1 -1.7305e+1
 #       -Range:  0-300
 
-1.0000 Sb(OH)3 + 1.0000 H+  =  Sb(OH)2+ +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +1.4900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2+
+Sb(OH)3 + H+ = Sb(OH)2+ + H2O
+        -llnl_gamma 4
+        log_k 1.49
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001
+
+        -analytic -4.9192e+0 -1.6439e-4 1.4777e+3 6.0724e-1 2.3059e+1
 #       -Range:  0-300
 
-1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F-  =  Sb(OH)2F +1.0000 H2O
-        -llnl_gamma           3.0    
-        log_k           +7.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)2F
+Sb(OH)3 + H+ + F- = Sb(OH)2F + H2O
+        -llnl_gamma 3
+        log_k 7.17
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006
+
+        -analytic -1.6961e+2 5.7364e-2 2.7207e+4 3.7969e+1 -2.2834e+6
 #       -Range:  0-300
 
-1.0000 Sb(OH)3 + 1.0000 H2O  =  Sb(OH)4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.92
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)4-
+Sb(OH)3 + H2O = Sb(OH)4- + H+
+        -llnl_gamma 4
+        log_k -11.92
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004
+
+        -analytic 4.9839e+1 -6.7112e-3 -4.8976e+3 -1.7138e+1 -8.3725e+4
 #       -Range:  0-300
 
-4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+  =  Sb2S4-- +6.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +39.1100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2S4-2
+4 HS- + 2 Sb(OH)3 + 2 H+ = Sb2S4-2 + 6 H2O
+        -llnl_gamma 4
+        log_k 39.11
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002
+
+        -analytic 1.7631e+2 8.3686e-2 9.7091e+3 -7.8605e+1 1.5145e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3  =  SbCl4- +3.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +3.0720
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SbCl4-
+4 Cl- + 3 H+ + Sb(OH)3 = SbCl4- + 3 H2O
+        -llnl_gamma 4
+        log_k 3.072
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Sc+++  =  Sc(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7237
-	-delta_H	-43.1789	kJ/mol	# Calculated enthalpy of reaction	Sc(Acetate)2+
+
+2 HAcetate + Sc+3 = Sc(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -3.7237
+	-delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+
 #	Enthalpy of formation:	-389.32 kcal/mol
-        -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005
+        -analytic -4.1862e+1 -3.9443e-5 2.1444e+2 1.2616e+1 5.5442e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Sc+++  =  Sc(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.6777
-	-delta_H	-70.0402	kJ/mol	# Calculated enthalpy of reaction	Sc(Acetate)3
+3 HAcetate + Sc+3 = Sc(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -6.6777
+	-delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3
 #	Enthalpy of formation:	-511.84 kcal/mol
-        -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005
+        -analytic -5.2525e+1 1.6181e-3 7.5022e+2 1.3988e+1 7.354e+5
 #       -Range:  0-300
 
-1.0000 Sc+++ + 1.0000 HAcetate  =  ScAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.4294
-	-delta_H	-21.7568	kJ/mol	# Calculated enthalpy of reaction	ScAcetate+2
+Sc+3 + HAcetate = ScAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -1.4294
+	-delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2
 #	Enthalpy of formation:	-268.1 kcal/mol
-        -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005
+        -analytic -2.34e+1 1.3144e-4 1.1125e+2 7.3527e+0 3.0025e+5
 #       -Range:  0-300
 
-6.0000 F- + 4.0000 H+ + 1.0000 SiO2  =  SiF6-- +2.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +26.2749
-	-delta_H	-70.9565	kJ/mol	# Calculated enthalpy of reaction	SiF6-2
+6 F- + 4 H+ + SiO2 = SiF6-2 + 2 H2O
+        -llnl_gamma 4
+        log_k 26.2749
+	-delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2
 #	Enthalpy of formation:	-571 kcal/mol
-        -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000
+        -analytic 2.3209e+2 1.0685e-1 5.8428e+2 -9.6798e+1 9.0486e+0
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Sm+++  =  Sm(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.7132
-	-delta_H	-25.5224	kJ/mol	# Calculated enthalpy of reaction	Sm(Acetate)2+
+2 HAcetate + Sm+3 = Sm(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.7132
+	-delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+
 #	Enthalpy of formation:	-403.5 kcal/mol
-        -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005
+        -analytic -1.4192e+1 2.1732e-3 -1.0267e+3 2.9516e+0 4.4389e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Sm+++  =  Sm(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.8798
-	-delta_H	-43.5554	kJ/mol	# Calculated enthalpy of reaction	Sm(Acetate)3
+3 HAcetate + Sm+3 = Sm(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -7.8798
+	-delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3
 #	Enthalpy of formation:	-523.91 kcal/mol
-        -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005
+        -analytic -2.0765e+1 1.1047e-3 -5.1181e+2 3.4797e+0 5.0618e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Sm+++  =  Sm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.8576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(CO3)2-
+2 HCO3- + Sm+3 = Sm(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.8576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(HPO4)2-
+
+2 HPO4-2 + Sm+3 = Sm(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with SmO2-
 #4.0000 H2O + 1.0000 Sm+++  =  Sm(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -36.8803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)4-
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sm+++  =  Sm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(PO4)2-3
+
+2 HPO4-2 + Sm+3 = Sm(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -4.2437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Sm+++  =  Sm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(SO4)2-
+
+2 SO4-2 + Sm+3 = Sm(SO4)2-
+        -llnl_gamma 4
+        log_k 5.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 HAcetate  =  SmAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -1.9205
-	-delta_H	-13.598	kJ/mol	# Calculated enthalpy of reaction	SmAcetate+2
+
+Sm+3 + HAcetate = SmAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -1.9205
+	-delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2
 #	Enthalpy of formation:	-284.55 kcal/mol
-        -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005
+        -analytic -1.1734e+1 1.0889e-3 -5.1061e+2 3.3317e+0 2.6395e+5
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 HCO3-  =  SmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.479
-	-delta_H	89.1108	kJ/mol	# Calculated enthalpy of reaction	SmCO3+
+Sm+3 + HCO3- = SmCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.479
+	-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+
 #	Enthalpy of formation:	-308.8 kcal/mol
-        -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002
+        -analytic 2.3486e+2 5.3703e-2 -7.0193e+3 -9.2863e+1 -1.096e+2
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 Cl-  =  SmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3086
-	-delta_H	14.3637	kJ/mol	# Calculated enthalpy of reaction	SmCl+2
+Sm+3 + Cl- = SmCl+2
+        -llnl_gamma 4.5
+        log_k 0.3086
+	-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2
 #	Enthalpy of formation:	-201.7 kcal/mol
-        -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001
+        -analytic 9.4972e+1 3.9428e-2 -2.4198e+3 -3.9718e+1 -3.7787e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Sm+++  =  SmCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	19.9409	kJ/mol	# Calculated enthalpy of reaction	SmCl2+
+2 Cl- + Sm+3 = SmCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+
 #	Enthalpy of formation:	-240.3 kcal/mol
-        -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002
+        -analytic 2.5872e+2 8.4154e-2 -7.2061e+3 -1.0493e+2 -1.1252e+2
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Sm+++  =  SmCl3
-        -llnl_gamma           3.0    
-        log_k           -0.3936
-	-delta_H	13.803	kJ/mol	# Calculated enthalpy of reaction	SmCl3
+3 Cl- + Sm+3 = SmCl3
+        -llnl_gamma 3
+        log_k -0.3936
+	-delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3
 #	Enthalpy of formation:	-281.7 kcal/mol
-        -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002
+        -analytic 4.9535e+2 1.352e-1 -1.4325e+4 -1.972e+2 -2.2367e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Sm+++  =  SmCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.818
-	-delta_H	-5.30531	kJ/mol	# Calculated enthalpy of reaction	SmCl4-
+4 Cl- + Sm+3 = SmCl4-
+        -llnl_gamma 4
+        log_k -0.818
+	-delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4-
 #	Enthalpy of formation:	-326.2 kcal/mol
-        -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002
+        -analytic 6.0562e+2 1.4212e-1 -1.7982e+4 -2.3782e+2 -2.8077e+2
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 F-  =  SmF++
-        -llnl_gamma           4.5    
-        log_k           +4.3687
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	SmF+2
+Sm+3 + F- = SmF+2
+        -llnl_gamma 4.5
+        log_k 4.3687
+	-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2
 #	Enthalpy of formation:	-239.9 kcal/mol
-        -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001
+        -analytic 1.1514e+2 4.3117e-2 -3.2853e+3 -4.5499e+1 -5.1297e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Sm+++  =  SmF2+
-        -llnl_gamma           4.0    
-        log_k           +7.6379
-	-delta_H	13.8072	kJ/mol	# Calculated enthalpy of reaction	SmF2+
+2 F- + Sm+3 = SmF2+
+        -llnl_gamma 4
+        log_k 7.6379
+	-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+
 #	Enthalpy of formation:	-322.2 kcal/mol
-        -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002
+        -analytic 2.803e+2 8.8143e-2 -7.2857e+3 -1.1092e+2 -1.1377e+2
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Sm+++  =  SmF3
-        -llnl_gamma           3.0    
-        log_k           +10.0275
-	-delta_H	-8.5772	kJ/mol	# Calculated enthalpy of reaction	SmF3
+3 F- + Sm+3 = SmF3
+        -llnl_gamma 3
+        log_k 10.0275
+	-delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3
 #	Enthalpy of formation:	-407.7 kcal/mol
-        -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002
+        -analytic 5.2425e+2 1.4191e-1 -1.3728e+4 -2.0628e+2 -2.1436e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Sm+++  =  SmF4-
-        -llnl_gamma           4.0    
-        log_k           +11.9773
-	-delta_H	-49.7896	kJ/mol	# Calculated enthalpy of reaction	SmF4-
+4 F- + Sm+3 = SmF4-
+        -llnl_gamma 4
+        log_k 11.9773
+	-delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4-
 #	Enthalpy of formation:	-497.7 kcal/mol
-        -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002
+        -analytic 6.2228e+2 1.4659e-1 -1.5887e+4 -2.4275e+2 -2.4809e+2
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+  =  SmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-15.8364	kJ/mol	# Calculated enthalpy of reaction	SmH2PO4+2
+Sm+3 + HPO4-2 + H+ = SmH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2
 #	Enthalpy of formation:	-477.8 kcal/mol
-        -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000
+        -analytic 1.2451e+2 6.4959e-2 -3.9576e+2 -5.3772e+1 -6.2124e+0
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 HCO3-  =  SmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	9.19643	kJ/mol	# Calculated enthalpy of reaction	SmHCO3+2
+Sm+3 + HCO3- = SmHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.7724
+	-delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2
 #	Enthalpy of formation:	-327.9 kcal/mol
-        -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001
+        -analytic 5.552e+1 3.3265e-2 -7.3142e+2 -2.4727e+1 -1.143e+1
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 HPO4--  =  SmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmHPO4+
+Sm+3 + HPO4-2 = SmHPO4+
+        -llnl_gamma 4
+        log_k 5.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 NO3-  =  SmNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.8012
-	-delta_H	-29.1667	kJ/mol	# Calculated enthalpy of reaction	SmNO3+2
+
+Sm+3 + NO3- = SmNO3+2
+        -llnl_gamma 4.5
+        log_k 0.8012
+	-delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2
 #	Enthalpy of formation:	-221.6 kcal/mol
-        -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001
+        -analytic 3.3782e+1 2.7125e-2 1.5091e+3 -1.8632e+1 2.3537e+1
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 H2O  =  SmO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.4837
-	-delta_H	113.039	kJ/mol	# Calculated enthalpy of reaction	SmO+
+Sm+3 + H2O = SmO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.4837
+	-delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+
 #	Enthalpy of formation:	-206.5 kcal/mol
-        -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002
+        -analytic 1.8554e+2 3.0198e-2 -1.3791e+4 -6.6588e+1 -2.1526e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Sm+++  =  SmO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -35.0197
-	-delta_H	285.909	kJ/mol	# Calculated enthalpy of reaction	SmO2-
+2 H2O + Sm+3 = SmO2- + 4 H+
+        -llnl_gamma 4
+        log_k -35.0197
+	-delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2-
 #	Enthalpy of formation:	-233.5 kcal/mol
-        -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005
+        -analytic 1.3508e+1 -8.3384e-3 -1.0325e+4 -1.5506e+0 -6.7392e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Sm+++  =  SmO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.9304
-	-delta_H	226.497	kJ/mol	# Calculated enthalpy of reaction	SmO2H
+2 H2O + Sm+3 = SmO2H + 3 H+
+        -llnl_gamma 3
+        log_k -25.9304
+	-delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H
 #	Enthalpy of formation:	-247.7 kcal/mol
-        -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002
+        -analytic 3.6882e+2 5.3761e-2 -2.4317e+4 -1.3305e+2 -3.7956e+2
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 H2O  =  SmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.9808
-	-delta_H	79.1487	kJ/mol	# Calculated enthalpy of reaction	SmOH+2
+Sm+3 + H2O = SmOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.9808
+	-delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2
 #	Enthalpy of formation:	-214.6 kcal/mol
-        -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001
+        -analytic 6.3793e+1 1.1977e-2 -6.0852e+3 -2.2198e+1 -9.4972e+1
 #       -Range:  0-300
 
-1.0000 Sm+++ + 1.0000 HPO4--  =  SmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4
+Sm+3 + HPO4-2 = SmPO4 + H+
+        -llnl_gamma 3
+        log_k -0.2218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sm+++ + 1.0000 SO4--  =  SmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	20.0832	kJ/mol	# Calculated enthalpy of reaction	SmSO4+
+
+Sm+3 + SO4-2 = SmSO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+
 #	Enthalpy of formation:	-377.8 kcal/mol
-        -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002
+        -analytic 3.0597e+2 8.6258e-2 -9.0231e+3 -1.2032e+2 -1.4089e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Sn++  =  Sn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.9102
-	-delta_H	42.0534	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
+2 H2O + Sn+2 = Sn(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.9102
+	-delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
 #	Enthalpy of formation:	-128.683 kcal/mol
-        -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001
+        -analytic -3.7979e+1 -1.0893e-2 -1.2048e+3 1.51e+1 -2.0445e+1
 #       -Range:  0-200
 
-2.0000 H2O + 1.0000 Sn++++  =  Sn(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -0.1902
-	-delta_H	-2.02087	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2+2
+2 H2O + Sn+4 = Sn(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -0.1902
+	-delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2
 #	Enthalpy of formation:	-129.888 kcal/mol
-        -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005
+        -analytic -2.1675e+1 5.9697e-3 3.3953e+3 4.8158e+0 -3.2042e+5
 #       -Range:  0-300
 
-3.0000 H2O + 1.0000 Sn++++  =  Sn(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           +0.5148
-	-delta_H	-7.59396	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3+
+3 H2O + Sn+4 = Sn(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k 0.5148
+	-delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+
 #	Enthalpy of formation:	-199.537 kcal/mol
-        -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005
+        -analytic -3.3294e+1 8.858e-3 5.3803e+3 7.4994e+0 -4.8389e+5
 #       -Range:  0-300
 
-3.0000 H2O + 1.0000 Sn++  =  Sn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.4052
-	-delta_H	94.7007	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)3-
+3 H2O + Sn+2 = Sn(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -17.4052
+	-delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3-
 #	Enthalpy of formation:	-184.417 kcal/mol
-        -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002
+        -analytic 1.5614e+2 1.9943e-2 -1.07e+4 -5.8031e+1 -1.6701e+2
 #       -Range:  0-300
 
-4.0000 H2O + 1.0000 Sn++++  =  Sn(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.8497
-	-delta_H	-11.0583	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)4
+4 H2O + Sn+4 = Sn(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k 0.8497
+	-delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4
 #	Enthalpy of formation:	-268.682 kcal/mol
-        -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001
+        -analytic -7.9563e+1 -2.2641e-2 2.6682e+3 3.1614e+1 4.5337e+1
 #       -Range:  0-200
 
-2.0000 SO4-- + 1.0000 Sn++++  =  Sn(SO4)2
-        -llnl_gamma           3.0    
-        log_k           -0.8072
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sn(SO4)2
+2 SO4-2 + Sn+4 = Sn(SO4)2
+        -llnl_gamma 3
+        log_k -0.8072
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sn++ + 1.0000 Cl-  =  SnCl+
-        -llnl_gamma           4.0    
-        log_k           +1.0500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl+
+
+Sn+2 + Cl- = SnCl+
+        -llnl_gamma 4
+        log_k 1.05
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002
+
+        -analytic 3.0558e+2 8.2458e-2 -8.9329e+3 -1.2088e+2 -1.3948e+2
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Sn++  =  SnCl2
-        -llnl_gamma           3.0    
-        log_k           +1.7100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl2
+2 Cl- + Sn+2 = SnCl2
+        -llnl_gamma 3
+        log_k 1.71
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002
+
+        -analytic 3.66e+2 1.0753e-1 -1.0006e+4 -1.466e+2 -1.5624e+2
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Sn++  =  SnCl3-
-        -llnl_gamma           4.0    
-        log_k           +1.6900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnCl3-
+3 Cl- + Sn+2 = SnCl3-
+        -llnl_gamma 4
+        log_k 1.69
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002
+
+        -analytic 3.6019e+2 1.0602e-1 -1.0337e+4 -1.4363e+2 -1.6141e+2
 #       -Range:  0-300
 
-1.0000 Sn++ + 1.0000 F-  =  SnF+
-        -llnl_gamma           4.0    
-        log_k           +4.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF+
+Sn+2 + F- = SnF+
+        -llnl_gamma 4
+        log_k 4.08
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002
+
+        -analytic 3.002e+2 7.5485e-2 -8.4231e+3 -1.1734e+2 -1.3152e+2
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Sn++  =  SnF2
-        -llnl_gamma           3.0    
-        log_k           +6.6800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF2
+2 F- + Sn+2 = SnF2
+        -llnl_gamma 3
+        log_k 6.68
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnF2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002
+
+        -analytic 4.1241e+2 1.0988e-1 -1.1151e+4 -1.6207e+2 -1.7413e+2
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Sn++  =  SnF3-
-        -llnl_gamma           4.0    
-        log_k           +9.4600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnF3-
+3 F- + Sn+2 = SnF3-
+        -llnl_gamma 4
+        log_k 9.46
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnF3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-        -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002
+
+        -analytic 4.1793e+2 1.0898e-1 -1.1402e+4 -1.6273e+2 -1.7803e+2
 #       -Range:  0-300
 
-1.0000 Sn++ + 1.0000 H2O  =  SnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.9851
-	-delta_H	21.2045	kJ/mol	# Calculated enthalpy of reaction	SnOH+
+Sn+2 + H2O = SnOH+ + H+
+        -llnl_gamma 4
+        log_k -3.9851
+	-delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+
 #	Enthalpy of formation:	-65.349 kcal/mol
-        -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001
+        -analytic 7.7253e+1 1.9149e-2 -3.3745e+3 -3.056e+1 -5.2679e+1
 #       -Range:  0-300
 
-1.0000 Sn++++ + 1.0000 H2O  =  SnOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +0.6049
-	-delta_H	-5.00406	kJ/mol	# Calculated enthalpy of reaction	SnOH+3
+Sn+4 + H2O = SnOH+3 + H+
+        -llnl_gamma 5
+        log_k 0.6049
+	-delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3
 #	Enthalpy of formation:	-62.284 kcal/mol
-        -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005
+        -analytic -1.1548e+1 2.8878e-3 1.9476e+3 2.6622e+0 -1.6274e+5
 #       -Range:  0-300
 
-1.0000 Sn++++ + 1.0000 SO4--  =  SnSO4++
-        -llnl_gamma           4.5    
-        log_k           -3.1094
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSO4+2
+Sn+4 + SO4-2 = SnSO4+2
+        -llnl_gamma 4.5
+        log_k -3.1094
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Sr++  =  Sr(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.8212
-	-delta_H	0.54392	kJ/mol	# Calculated enthalpy of reaction	Sr(Acetate)2
+
+2 HAcetate + Sr+2 = Sr(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -7.8212
+	-delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2
 #	Enthalpy of formation:	-363.74 kcal/mol
-        -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005
+        -analytic 1.2965e+1 4.7082e-3 -5.2538e+3 -5.2337e+0 7.4721e+5
 #       -Range:  0-300
 
-1.0000 Sr++ + 1.0000 HAcetate  =  SrAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.6724
-	-delta_H	2.3012	kJ/mol	# Calculated enthalpy of reaction	SrAcetate+
+Sr+2 + HAcetate = SrAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.6724
+	-delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+
 #	Enthalpy of formation:	-247.22 kcal/mol
-        -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005
+        -analytic -1.4301e+1 1.2481e-3 -7.569e+2 4.276e+0 1.98e+5
 #       -Range:  0-300
 
-1.0000 Sr++ + 1.0000 HCO3-  =  SrCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.4635
-	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
+Sr+2 + HCO3- = SrCO3 + H+
+        -llnl_gamma 3
+        log_k -7.4635
+	-delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3
 #	Enthalpy of formation:	-288.62 kcal/mol
-        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
+        -analytic 2.2303e+2 5.2582e-2 -8.4861e+3 -8.7975e+1 -1.3248e+2
 #       -Range:  0-300
 
-1.0000 Sr++ + 1.0000 Cl-  =  SrCl+
-        -llnl_gamma           4.0    
-        log_k           -0.2485
-	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
+Sr+2 + Cl- = SrCl+
+        -llnl_gamma 4
+        log_k -0.2485
+	-delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+
 #	Enthalpy of formation:	-169.79 kcal/mol
-        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
+        -analytic 9.4568e+1 3.9042e-2 -2.1458e+3 -4.0105e+1 -3.3511e+1
 #       -Range:  0-300
 
-1.0000 Sr++ + 1.0000 F-  =  SrF+
-        -llnl_gamma           4.0    
-        log_k           +0.1393
-	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
+Sr+2 + F- = SrF+
+        -llnl_gamma 4
+        log_k 0.1393
+	-delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+
 #	Enthalpy of formation:	-210.67 kcal/mol
-        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
+        -analytic 9.0295e+1 3.7609e-2 -1.9012e+3 -3.8379e+1 -2.9693e+1
 #       -Range:  0-300
 
-1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+  =  SrH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +0.7300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
+Sr+2 + HPO4-2 + H+ = SrH2PO4+
+        -llnl_gamma 4
+        log_k 0.73
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 HPO4--  =  SrHPO4
-        -llnl_gamma           3.0    
-        log_k           +2.0600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
+
+Sr+2 + HPO4-2 = SrHPO4
+        -llnl_gamma 3
+        log_k 2.06
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 NO3-  =  SrNO3+
-        -llnl_gamma           4.0    
-        log_k           +0.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
+
+Sr+2 + NO3- = SrNO3+
+        -llnl_gamma 4
+        log_k 0.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 H2O  =  SrOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -13.29
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
+
+Sr+2 + H2O = SrOH+ + H+
+        -llnl_gamma 4
+        log_k -13.29
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Sr++  =  SrP2O7-- +1.0000 H2O
-        -llnl_gamma           4.0    
-        log_k           +1.6537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
+
+2 HPO4-2 + Sr+2 = SrP2O7-2 + H2O
+        -llnl_gamma 4
+        log_k 1.6537
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Sr++ + 1.0000 SO4--  =  SrSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
+
+Sr+2 + SO4-2 = SrSO4
+        -llnl_gamma 3
+        log_k 2.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Tb+++  =  Tb(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9625
-	-delta_H	-27.9491	kJ/mol	# Calculated enthalpy of reaction	Tb(Acetate)2+
+
+2 HAcetate + Tb+3 = Tb(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9625
+	-delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+
 #	Enthalpy of formation:	-405.78 kcal/mol
-        -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005
+        -analytic -2.391e+1 1.3433e-3 -8.08e+2 6.3895e+0 4.8619e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Tb+++  =  Tb(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3489
-	-delta_H	-47.1537	kJ/mol	# Calculated enthalpy of reaction	Tb(Acetate)3
+3 HAcetate + Tb+3 = Tb(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3489
+	-delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3
 #	Enthalpy of formation:	-526.47 kcal/mol
-        -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005
+        -analytic -1.0762e+1 4.2361e-3 -1.562e+3 -3.9317e-1 6.5745e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Tb+++  =  Tb(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.5576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(CO3)2-
+2 HCO3- + Tb+3 = Tb(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.5576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(HPO4)2-
+
+2 HPO4-2 + Tb+3 = Tb(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tb+++  =  Tb(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.6437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(PO4)2-3
+
+2 HPO4-2 + Tb+3 = Tb(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.6437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Tb+++  =  Tb(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(SO4)2-
+
+2 SO4-2 + Tb+3 = Tb(SO4)2-
+        -llnl_gamma 4
+        log_k 5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 HAcetate  =  TbAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1037
-	-delta_H	-14.2256	kJ/mol	# Calculated enthalpy of reaction	TbAcetate+2
+
+Tb+3 + HAcetate = TbAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1037
+	-delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2
 #	Enthalpy of formation:	-286.4 kcal/mol
-        -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005
+        -analytic -1.6817e+1 6.429e-4 -3.4442e+2 5.0994e+0 2.7304e+5
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 HCO3-  =  TbCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.4057
-	-delta_H	89.5292	kJ/mol	# Calculated enthalpy of reaction	TbCO3+
+Tb+3 + HCO3- = TbCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.4057
+	-delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+
 #	Enthalpy of formation:	-310.4 kcal/mol
-        -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002
+        -analytic 2.2347e+2 5.4185e-2 -6.4127e+3 -8.9112e+1 -1.0013e+2
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 Cl-  =  TbCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	TbCl+2
+Tb+3 + Cl- = TbCl+2
+        -llnl_gamma 4.5
+        log_k 0.2353
+	-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2
 #	Enthalpy of formation:	-203.5 kcal/mol
-        -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001
+        -analytic 7.1095e+1 3.7367e-2 -1.4676e+3 -3.114e+1 -2.2921e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Tb+++  =  TbCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	18.2673	kJ/mol	# Calculated enthalpy of reaction	TbCl2+
+2 Cl- + Tb+3 = TbCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+
 #	Enthalpy of formation:	-242.4 kcal/mol
-        -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001
+        -analytic 2.0699e+2 7.9609e-2 -5.0958e+3 -8.6337e+1 -7.9576e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Tb+++  =  TbCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	10.0374	kJ/mol	# Calculated enthalpy of reaction	TbCl3
+3 Cl- + Tb+3 = TbCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3
 #	Enthalpy of formation:	-284.3 kcal/mol
-        -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002
+        -analytic 4.0764e+2 1.2809e-1 -1.0704e+4 -1.6583e+2 -1.6715e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Tb+++  =  TbCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-11.5813	kJ/mol	# Calculated enthalpy of reaction	TbCl4-
+4 Cl- + Tb+3 = TbCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4-
 #	Enthalpy of formation:	-329.4 kcal/mol
-        -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002
+        -analytic 4.6247e+2 1.2926e-1 -1.2117e+4 -1.8639e+2 -1.8921e+2
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 F-  =  TbF++
-        -llnl_gamma           4.5    
-        log_k           +4.6619
-	-delta_H	22.8028	kJ/mol	# Calculated enthalpy of reaction	TbF+2
+Tb+3 + F- = TbF+2
+        -llnl_gamma 4.5
+        log_k 4.6619
+	-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2
 #	Enthalpy of formation:	-241.6 kcal/mol
-        -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001
+        -analytic 9.2579e+1 4.1327e-2 -2.3647e+3 -3.7293e+1 -3.6927e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Tb+++  =  TbF2+
-        -llnl_gamma           4.0    
-        log_k           +8.1510
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	TbF2+
+2 F- + Tb+3 = TbF2+
+        -llnl_gamma 4
+        log_k 8.151
+	-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+
 #	Enthalpy of formation:	-324.3 kcal/mol
-        -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001
+        -analytic 2.31e+2 8.4094e-2 -5.2548e+3 -9.3051e+1 -8.2065e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Tb+++  =  TbF3
-        -llnl_gamma           3.0    
-        log_k           +10.6872
-	-delta_H	-11.9244	kJ/mol	# Calculated enthalpy of reaction	TbF3
+3 F- + Tb+3 = TbF3
+        -llnl_gamma 3
+        log_k 10.6872
+	-delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3
 #	Enthalpy of formation:	-410.2 kcal/mol
-        -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002
+        -analytic 4.373e+2 1.3479e-1 -1.0128e+4 -1.7489e+2 -1.5817e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Tb+++  =  TbF4-
-        -llnl_gamma           4.0    
-        log_k           +12.7836
-	-delta_H	-56.0656	kJ/mol	# Calculated enthalpy of reaction	TbF4-
+4 F- + Tb+3 = TbF4-
+        -llnl_gamma 4
+        log_k 12.7836
+	-delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4-
 #	Enthalpy of formation:	-500.9 kcal/mol
-        -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002
+        -analytic 4.8546e+2 1.3511e-1 -1.0189e+4 -1.9347e+2 -1.5913e+2
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+  =  TbH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.3751
-	-delta_H	-17.51	kJ/mol	# Calculated enthalpy of reaction	TbH2PO4+2
+Tb+3 + HPO4-2 + H+ = TbH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.3751
+	-delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2
 #	Enthalpy of formation:	-479.9 kcal/mol
-        -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000
+        -analytic 1.0042e+2 6.2886e-2 6.0975e+2 -4.5178e+1 9.4847e+0
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 HCO3-  =  TbHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.6991
-	-delta_H	-14.6524	kJ/mol	# Calculated enthalpy of reaction	TbHCO3+2
+Tb+3 + HCO3- = TbHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.6991
+	-delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2
 #	Enthalpy of formation:	-335.3 kcal/mol
-        -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001
+        -analytic 1.7376e+1 2.8365e-2 1.6982e+3 -1.2044e+1 2.6494e+1
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 HPO4--  =  TbHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbHPO4+
+Tb+3 + HPO4-2 = TbHPO4+
+        -llnl_gamma 4
+        log_k 5.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 NO3-  =  TbNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.5080
-	-delta_H	-31.2587	kJ/mol	# Calculated enthalpy of reaction	TbNO3+2
+
+Tb+3 + NO3- = TbNO3+2
+        -llnl_gamma 4.5
+        log_k 0.508
+	-delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2
 #	Enthalpy of formation:	-223.8 kcal/mol
-        -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001
+        -analytic 8.7852e+0 2.4868e-2 2.5553e+3 -9.7944e+0 3.9871e+1
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 H2O  =  TbO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.1904
-	-delta_H	109.692	kJ/mol	# Calculated enthalpy of reaction	TbO+
+Tb+3 + H2O = TbO+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.1904
+	-delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+
 #	Enthalpy of formation:	-209 kcal/mol
-        -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002
+        -analytic 1.7975e+2 2.9563e-2 -1.3407e+4 -6.4573e+1 -2.0926e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Tb+++  =  TbO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -34.2134
-	-delta_H	278.797	kJ/mol	# Calculated enthalpy of reaction	TbO2-
+2 H2O + Tb+3 = TbO2- + 4 H+
+        -llnl_gamma 4
+        log_k -34.2134
+	-delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2-
 #	Enthalpy of formation:	-236.9 kcal/mol
-        -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002
+        -analytic 1.6924e+2 1.1804e-2 -1.9821e+4 -5.6781e+1 -3.0933e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Tb+++  =  TbO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.0508
-	-delta_H	219.802	kJ/mol	# Calculated enthalpy of reaction	TbO2H
+2 H2O + Tb+3 = TbO2H + 3 H+
+        -llnl_gamma 3
+        log_k -25.0508
+	-delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H
 #	Enthalpy of formation:	-251 kcal/mol
-        -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002
+        -analytic 3.2761e+2 4.5225e-2 -2.2652e+4 -1.1727e+2 -3.5356e+2
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 H2O  =  TbOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.8342
-	-delta_H	77.4751	kJ/mol	# Calculated enthalpy of reaction	TbOH+2
+Tb+3 + H2O = TbOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.8342
+	-delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2
 #	Enthalpy of formation:	-216.7 kcal/mol
-        -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001
+        -analytic 5.9574e+1 1.1625e-2 -5.8143e+3 -2.0759e+1 -9.0744e+1
 #       -Range:  0-300
 
-1.0000 Tb+++ + 1.0000 HPO4--  =  TbPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.0782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4
+Tb+3 + HPO4-2 = TbPO4 + H+
+        -llnl_gamma 3
+        log_k 0.0782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tb+++ + 1.0000 SO4--  =  TbSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.6430
-	-delta_H	19.6648	kJ/mol	# Calculated enthalpy of reaction	TbSO4+
+
+Tb+3 + SO4-2 = TbSO4+
+        -llnl_gamma 4
+        log_k 3.643
+	-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+
 #	Enthalpy of formation:	-379.6 kcal/mol
-        -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002
+        -analytic 2.9633e+2 8.5155e-2 -8.6346e+3 -1.1682e+2 -1.3482e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 TcO++  =  TcO(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3221
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO(OH)2
+2 H2O + TcO+2 = TcO(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -3.3221
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 TcO++ + 1.0000 H2O  =  TcOOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -1.1355
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOOH+
+
+TcO+2 + H2O = TcOOH+ + H+
+        -llnl_gamma 4
+        log_k -1.1355
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++  =  Th(H2PO4)2++
-        -llnl_gamma           4.5    
-        log_k           +23.2070
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(H2PO4)2+2
+
+2 HPO4-2 + 2 H+ + Th+4 = Th(H2PO4)2+2
+        -llnl_gamma 4.5
+        log_k 23.207
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)2
-        -llnl_gamma           3.0    
-        log_k           +22.6939
-	-delta_H	-13.644	kJ/mol	# Calculated enthalpy of reaction	Th(HPO4)2
+
+2 HPO4-2 + Th+4 = Th(HPO4)2
+        -llnl_gamma 3
+        log_k 22.6939
+	-delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2
 #	Enthalpy of formation:	-804.691 kcal/mol
-        -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002
+        -analytic 6.5208e+2 2.3099e-1 -1.299e+4 -2.6457e+2 -2.2082e+2
 #       -Range:  0-200
 
-3.0000 HPO4-- + 1.0000 Th++++  =  Th(HPO4)3--
-        -llnl_gamma           4.0    
-        log_k           +31.1894
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(HPO4)3-2
+3 HPO4-2 + Th+4 = Th(HPO4)3-2
+        -llnl_gamma 4
+        log_k 31.1894
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Th++++  =  Th(OH)2++ +2.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.1068
-	-delta_H	58.668	kJ/mol	# Calculated enthalpy of reaction	Th(OH)2+2
+
+2 H2O + Th+4 = Th(OH)2+2 + 2 H+
+        -llnl_gamma 4.5
+        log_k -7.1068
+	-delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2
 #	Enthalpy of formation:	-306.412 kcal/mol
-        -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005
+        -analytic -1.1274e+1 3.4195e-3 -3.7553e+2 3.1299e+0 -2.9696e+5
 #       -Range:  0-300
 
-3.0000 H2O + 1.0000 Th++++  =  Th(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -11.8623
-	-delta_H	86.1318	kJ/mol	# Calculated enthalpy of reaction	Th(OH)3+
+3 H2O + Th+4 = Th(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k -11.8623
+	-delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+
 #	Enthalpy of formation:	-368.165 kcal/mol
-4.0000 H2O + 1.0000 Th++++  =  Th(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -16.0315
-	-delta_H	104.01	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
+4 H2O + Th+4 = Th(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k -16.0315
+	-delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4
 #	Enthalpy of formation:	-432.209 kcal/mol
-        -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001
+        -analytic 2.9534e+1 1.555e-2 -5.668e+3 -1.2598e+1 -9.6262e+1
 #       -Range:  0-200
 
-2.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +9.6170
-	-delta_H	32.2377	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
+2 SO4-2 + Th+4 = Th(SO4)2
+        -llnl_gamma 3
+        log_k 9.617
+	-delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
 #	Enthalpy of formation:	-610.895 kcal/mol
-        -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002
+        -analytic 4.6425e+2 1.6769e-1 -1.1195e+4 -1.8875e+2 -1.9027e+2
 #       -Range:  0-200
 
-3.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)3--
-        -llnl_gamma           4.0    
-        log_k           +10.4014
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)3-2
+3 SO4-2 + Th+4 = Th(SO4)3-2
+        -llnl_gamma 4
+        log_k 10.4014
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 SO4-- + 1.0000 Th++++  =  Th(SO4)4----
-        -llnl_gamma           4.0    
-        log_k           +8.4003
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th(SO4)4-4
+
+4 SO4-2 + Th+4 = Th(SO4)4-4
+        -llnl_gamma 4
+        log_k 8.4003
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Th++++ + 2.0000 H2O  =  Th2(OH)2+6 +2.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -6.4618
-	-delta_H	63.7181	kJ/mol	# Calculated enthalpy of reaction	Th2(OH)2+6
+
+2 Th+4 + 2 H2O = Th2(OH)2+6 + 2 H+
+        -llnl_gamma 6
+        log_k -6.4618
+	-delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6
 #	Enthalpy of formation:	-489.005 kcal/mol
-        -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002
+        -analytic 6.8838e+1 -4.1348e-3 -6.4415e+3 -2.12e+1 -1.0053e+2
 #       -Range:  0-300
 
-8.0000 H2O + 4.0000 Th++++  =  Th4(OH)8+8 +8.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -21.7568
-	-delta_H	245.245	kJ/mol	# Calculated enthalpy of reaction	Th4(OH)8+8
+8 H2O + 4 Th+4 = Th4(OH)8+8 + 8 H+
+        -llnl_gamma 6
+        log_k -21.7568
+	-delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8
 #	Enthalpy of formation:	-1223.12 kcal/mol
-        -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002
+        -analytic 2.7826e+2 -2.3504e-3 -2.441e+4 -8.7873e+1 -3.8097e+2
 #       -Range:  0-300
 
-15.0000 H2O + 6.0000 Th++++  =  Th6(OH)15+9 +15.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -37.7027
-	-delta_H	458.248	kJ/mol	# Calculated enthalpy of reaction	Th6(OH)15+9
+15 H2O + 6 Th+4 = Th6(OH)15+9 + 15 H+
+        -llnl_gamma 6
+        log_k -37.7027
+	-delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9
 #	Enthalpy of formation:	-2018.03 kcal/mol
-        -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002
+        -analytic 5.2516e+2 3.3015e-3 -4.5237e+4 -1.6654e+2 -7.0603e+2
 #       -Range:  0-300
 
-1.0000 Th++++ + 1.0000 Cl-  =  ThCl+++
-        -llnl_gamma           5.0    
-        log_k           +0.9536
-	-delta_H	0.06276	kJ/mol	# Calculated enthalpy of reaction	ThCl+3
+Th+4 + Cl- = ThCl+3
+        -llnl_gamma 5
+        log_k 0.9536
+	-delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3
 #	Enthalpy of formation:	-223.718 kcal/mol
-        -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001
+        -analytic 9.743e+1 3.9398e-2 -1.8653e+3 -4.1202e+1 -2.9135e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Th++++  =  ThCl2++
-        -llnl_gamma           4.5    
-        log_k           +0.6758
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl2+2
+2 Cl- + Th+4 = ThCl2+2
+        -llnl_gamma 4.5
+        log_k 0.6758
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Cl- + 1.0000 Th++++  =  ThCl3+
-        -llnl_gamma           4.0    
-        log_k           +1.4975
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl3+
+
+3 Cl- + Th+4 = ThCl3+
+        -llnl_gamma 4
+        log_k 1.4975
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Cl- + 1.0000 Th++++  =  ThCl4
-        -llnl_gamma           3.0    
-        log_k           +1.0731
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThCl4
+
+4 Cl- + Th+4 = ThCl4
+        -llnl_gamma 3
+        log_k 1.0731
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Th++++ + 1.0000 F-  =  ThF+++
-        -llnl_gamma           5.0    
-        log_k           +7.8725
-	-delta_H	-4.87436	kJ/mol	# Calculated enthalpy of reaction	ThF+3
+
+Th+4 + F- = ThF+3
+        -llnl_gamma 5
+        log_k 7.8725
+	-delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3
 #	Enthalpy of formation:	-265.115 kcal/mol
-        -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001
+        -analytic 1.1679e+2 3.9201e-2 -2.2118e+3 -4.5736e+1 -3.4548e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Th++++  =  ThF2++
-        -llnl_gamma           4.5    
-        log_k           +14.0884
-	-delta_H	-7.77806	kJ/mol	# Calculated enthalpy of reaction	ThF2+2
+2 F- + Th+4 = ThF2+2
+        -llnl_gamma 4.5
+        log_k 14.0884
+	-delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2
 #	Enthalpy of formation:	-345.959 kcal/mol
-        -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001
+        -analytic 2.32e+2 7.9567e-2 -4.4418e+3 -9.1617e+1 -6.9379e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Th++++  =  ThF3+
-        -llnl_gamma           4.0    
-        log_k           +18.7357
-	-delta_H	-11.7068	kJ/mol	# Calculated enthalpy of reaction	ThF3+
+3 F- + Th+4 = ThF3+
+        -llnl_gamma 4
+        log_k 18.7357
+	-delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+
 #	Enthalpy of formation:	-427.048 kcal/mol
-        -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002
+        -analytic 3.4511e+2 1.2149e-1 -6.5065e+3 -1.377e+2 -1.0163e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Th++++  =  ThF4
-        -llnl_gamma           3.0    
-        log_k           +22.1515
-	-delta_H	-14.8448	kJ/mol	# Calculated enthalpy of reaction	ThF4
+4 F- + Th+4 = ThF4
+        -llnl_gamma 3
+        log_k 22.1515
+	-delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4
 #	Enthalpy of formation:	-507.948 kcal/mol
-        -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002
+        -analytic 6.1206e+2 2.1878e-1 -1.1938e+4 -2.4857e+2 -2.0294e+2
 #       -Range:  0-200
 
-1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+  =  ThH2PO4+++
-        -llnl_gamma           5.0    
-        log_k           +11.7061
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH2PO4+3
+Th+4 + HPO4-2 + H+ = ThH2PO4+3
+        -llnl_gamma 5
+        log_k 11.7061
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4--  =  ThH3PO4++++
-        -llnl_gamma           5.5    
-        log_k           +11.1197
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ThH3PO4+4
+
+2 H+ + Th+4 + HPO4-2 = ThH3PO4+4
+        -llnl_gamma 5.5
+        log_k 11.1197
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Th++++ + 1.0000 HPO4--  =  ThHPO4++
-        -llnl_gamma           4.5    
-        log_k           +10.6799
-	-delta_H	0.1046	kJ/mol	# Calculated enthalpy of reaction	ThHPO4+2
+
+Th+4 + HPO4-2 = ThHPO4+2
+        -llnl_gamma 4.5
+        log_k 10.6799
+	-delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2
 #	Enthalpy of formation:	-492.59 kcal/mol
-1.0000 Th++++ + 1.0000 H2O  =  ThOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -3.8871
-	-delta_H	25.0275	kJ/mol	# Calculated enthalpy of reaction	ThOH+3
+Th+4 + H2O = ThOH+3 + H+
+        -llnl_gamma 5
+        log_k -3.8871
+	-delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3
 #	Enthalpy of formation:	-1029.83 kJ/mol
-        -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004
+        -analytic 1.0495e+1 5.1532e-3 -8.6396e+2 -4.842e+0 -9.2609e+4
 #       -Range:  0-300
 
-1.0000 Th++++ + 1.0000 SO4--  =  ThSO4++
-        -llnl_gamma           4.5    
-        log_k           +5.3143
-	-delta_H	16.3511	kJ/mol	# Calculated enthalpy of reaction	ThSO4+2
+Th+4 + SO4-2 = ThSO4+2
+        -llnl_gamma 4.5
+        log_k 5.3143
+	-delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2
 #	Enthalpy of formation:	-397.292 kcal/mol
-        -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001
+        -analytic 1.9443e+2 7.5245e-2 -4.501e+3 -7.9379e+1 -7.0291e+1
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Tl+  =  Tl(Acetate)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0129
-	-delta_H	1.2552	kJ/mol	# Calculated enthalpy of reaction	Tl(Acetate)2-
+2 HAcetate + Tl+ = Tl(Acetate)2- + 2 H+
+        -llnl_gamma 4
+        log_k -10.0129
+	-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2-
 #	Enthalpy of formation:	-230.62 kcal/mol
-        -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001
+        -analytic -1.8123e+2 -4.0616e-2 5.0741e+3 6.7216e+1 7.9229e+1
 #       -Range:  0-300
 
-1.0000 Tl+ + 1.0000 HAcetate  =  TlAcetate +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.8672
-	-delta_H	6.15048	kJ/mol	# Calculated enthalpy of reaction	TlAcetate
+Tl+ + HAcetate = TlAcetate + H+
+        -llnl_gamma 3
+        log_k -4.8672
+	-delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate
 #	Enthalpy of formation:	-113.35 kcal/mol
-        -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005
+        -analytic 9.2977e+0 -3.4368e-3 -2.1748e+3 -3.1454e+0 1.7273e+5
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Tm+++  =  Tm(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-32.5934	kJ/mol	# Calculated enthalpy of reaction	Tm(Acetate)2+
+2 HAcetate + Tm+3 = Tm(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9844
+	-delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+
 #	Enthalpy of formation:	-408.49 kcal/mol
-        -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005
+        -analytic -2.8983e+1 2.0256e-3 -1.1525e+3 8.2163e+0 6.182e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Tm+++  =  Tm(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-54.8104	kJ/mol	# Calculated enthalpy of reaction	Tm(Acetate)3
+3 HAcetate + Tm+3 = Tm(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3783
+	-delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3
 #	Enthalpy of formation:	-529.9 kcal/mol
-        -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005
+        -analytic -2.89e+1 4.9633e-3 -1.6574e+3 6.0186e+0 8.6624e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Tm+++  =  Tm(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.1576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(CO3)2-
+2 HCO3- + Tm+3 = Tm(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.1576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(HPO4)2-
+
+2 HPO4-2 + Tm+3 = Tm(HPO4)2-
+        -llnl_gamma 4
+        log_k 10.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Tm+++  =  Tm(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.0437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(PO4)2-3
+
+2 HPO4-2 + Tm+3 = Tm(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.0437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Tm+++  =  Tm(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(SO4)2-
+
+2 SO4-2 + Tm+3 = Tm(SO4)2-
+        -llnl_gamma 4
+        log_k 5.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 HAcetate  =  TmAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-16.3176	kJ/mol	# Calculated enthalpy of reaction	TmAcetate+2
+
+Tm+3 + HAcetate = TmAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1184
+	-delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2
 #	Enthalpy of formation:	-288.5 kcal/mol
-        -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005
+        -analytic -1.6068e+1 1.2043e-3 -6.2777e+2 4.8318e+0 3.3363e+5
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 HCO3-  =  TmCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.1125
-	-delta_H	86.6004	kJ/mol	# Calculated enthalpy of reaction	TmCO3+
+Tm+3 + HCO3- = TmCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.1125
+	-delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+
 #	Enthalpy of formation:	-312.7 kcal/mol
-        -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002
+        -analytic 2.3889e+2 5.4733e-2 -6.9382e+3 -9.4581e+1 -1.0833e+2
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 Cl-  =  TmCl++
-        -llnl_gamma           4.5    
-        log_k           +0.2353
-	-delta_H	13.1085	kJ/mol	# Calculated enthalpy of reaction	TmCl+2
+Tm+3 + Cl- = TmCl+2
+        -llnl_gamma 4.5
+        log_k 0.2353
+	-delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2
 #	Enthalpy of formation:	-205.3 kcal/mol
-        -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001
+        -analytic 7.4795e+1 3.7655e-2 -1.5701e+3 -3.2531e+1 -2.4523e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Tm+++  =  TmCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.0425
-	-delta_H	15.7569	kJ/mol	# Calculated enthalpy of reaction	TmCl2+
+2 Cl- + Tm+3 = TmCl2+
+        -llnl_gamma 4
+        log_k -0.0425
+	-delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+
 #	Enthalpy of formation:	-244.6 kcal/mol
-        -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001
+        -analytic 2.0352e+2 7.9173e-2 -4.8574e+3 -8.5202e+1 -7.5855e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Tm+++  =  TmCl3
-        -llnl_gamma           3.0    
-        log_k           -0.4669
-	-delta_H	5.43502	kJ/mol	# Calculated enthalpy of reaction	TmCl3
+3 Cl- + Tm+3 = TmCl3
+        -llnl_gamma 3
+        log_k -0.4669
+	-delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3
 #	Enthalpy of formation:	-287 kcal/mol
-        -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002
+        -analytic 3.9793e+2 1.2777e-1 -1.007e+4 -1.6272e+2 -1.5725e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Tm+++  =  TmCl4-
-        -llnl_gamma           4.0    
-        log_k           -0.8913
-	-delta_H	-20.3677	kJ/mol	# Calculated enthalpy of reaction	TmCl4-
+4 Cl- + Tm+3 = TmCl4-
+        -llnl_gamma 4
+        log_k -0.8913
+	-delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4-
 #	Enthalpy of formation:	-333.1 kcal/mol
-        -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002
+        -analytic 4.3574e+2 1.2655e-1 -1.0713e+4 -1.7716e+2 -1.673e+2
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 F-  =  TmF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	23.6396	kJ/mol	# Calculated enthalpy of reaction	TmF+2
+Tm+3 + F- = TmF+2
+        -llnl_gamma 4.5
+        log_k 4.8085
+	-delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2
 #	Enthalpy of formation:	-243 kcal/mol
-        -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001
+        -analytic 9.7686e+1 4.189e-2 -2.5909e+3 -3.9059e+1 -4.0457e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Tm+++  =  TmF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3709
-	-delta_H	12.552	kJ/mol	# Calculated enthalpy of reaction	TmF2+
+2 F- + Tm+3 = TmF2+
+        -llnl_gamma 4
+        log_k 8.3709
+	-delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+
 #	Enthalpy of formation:	-325.8 kcal/mol
-        -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001
+        -analytic 2.2986e+2 8.4119e-2 -5.2144e+3 -9.2558e+1 -8.1433e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Tm+++  =  TmF3
-        -llnl_gamma           3.0    
-        log_k           +10.9804
-	-delta_H	-12.7612	kJ/mol	# Calculated enthalpy of reaction	TmF3
+3 F- + Tm+3 = TmF3
+        -llnl_gamma 3
+        log_k 10.9804
+	-delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3
 #	Enthalpy of formation:	-412 kcal/mol
-        -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002
+        -analytic 4.2855e+2 1.3445e-1 -9.7045e+3 -1.7177e+2 -1.5156e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Tm+++  =  TmF4-
-        -llnl_gamma           4.0    
-        log_k           +13.1501
-	-delta_H	-60.668	kJ/mol	# Calculated enthalpy of reaction	TmF4-
+4 F- + Tm+3 = TmF4-
+        -llnl_gamma 4
+        log_k 13.1501
+	-delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4-
 #	Enthalpy of formation:	-503.6 kcal/mol
-        -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002
+        -analytic 4.6559e+2 1.3386e-1 -9.179e+3 -1.865e+2 -1.4337e+2
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+  =  TmH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.4484
-	-delta_H	-20.4388	kJ/mol	# Calculated enthalpy of reaction	TmH2PO4+2
+Tm+3 + HPO4-2 + H+ = TmH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.4484
+	-delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2
 #	Enthalpy of formation:	-482.2 kcal/mol
-        -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000
+        -analytic 1.036e+2 6.3085e-2 6.0731e+2 -4.6456e+1 9.4456e+0
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 HCO3-  =  TmHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.7724
-	-delta_H	5.01243	kJ/mol	# Calculated enthalpy of reaction	TmHCO3+2
+Tm+3 + HCO3- = TmHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.7724
+	-delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2
 #	Enthalpy of formation:	-332.2 kcal/mol
-        -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000
+        -analytic 3.3102e+1 3.101e-2 2.988e+2 -1.6791e+1 4.6524e+0
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 HPO4--  =  TmHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmHPO4+
+Tm+3 + HPO4-2 = TmHPO4+
+        -llnl_gamma 4
+        log_k 5.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 NO3-  =  TmNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-33.7691	kJ/mol	# Calculated enthalpy of reaction	TmNO3+2
+
+Tm+3 + NO3- = TmNO3+2
+        -llnl_gamma 4.5
+        log_k 0.2148
+	-delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2
 #	Enthalpy of formation:	-226 kcal/mol
-        -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001
+        -analytic 1.1085e+1 2.4898e-2 2.5664e+3 -1.0861e+1 4.0043e+1
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 H2O  =  TmO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.8972
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	TmO+
+Tm+3 + H2O = TmO+ + 2 H+
+        -llnl_gamma 4
+        log_k -15.8972
+	-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+
 #	Enthalpy of formation:	-211.6 kcal/mol
-        -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002
+        -analytic 1.7572e+2 2.8756e-2 -1.3096e+4 -6.315e+1 -2.0441e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Tm+++  =  TmO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6741
-	-delta_H	266.663	kJ/mol	# Calculated enthalpy of reaction	TmO2-
+2 H2O + Tm+3 = TmO2- + 4 H+
+        -llnl_gamma 4
+        log_k -32.6741
+	-delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2-
 #	Enthalpy of formation:	-241.4 kcal/mol
-        -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005
+        -analytic 3.3118e+1 -5.2802e-3 -1.1318e+4 -8.4764e+0 -4.6998e+5
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Tm+++  =  TmO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -24.1712
-	-delta_H	211.853	kJ/mol	# Calculated enthalpy of reaction	TmO2H
+2 H2O + Tm+3 = TmO2H + 3 H+
+        -llnl_gamma 3
+        log_k -24.1712
+	-delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H
 #	Enthalpy of formation:	-254.5 kcal/mol
-        -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002
+        -analytic 3.1648e+2 4.4527e-2 -2.1821e+4 -1.1345e+2 -3.4059e+2
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 H2O  =  TmOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6876
-	-delta_H	74.5463	kJ/mol	# Calculated enthalpy of reaction	TmOH+2
+Tm+3 + H2O = TmOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.6876
+	-delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2
 #	Enthalpy of formation:	-219 kcal/mol
-        -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001
+        -analytic 5.7572e+1 1.1162e-2 -5.6381e+3 -2.0074e+1 -8.7994e+1
 #       -Range:  0-300
 
-1.0000 Tm+++ + 1.0000 HPO4--  =  TmPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.4782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4
+Tm+3 + HPO4-2 = TmPO4 + H+
+        -llnl_gamma 3
+        log_k 0.4782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Tm+++ + 1.0000 SO4--  =  TmSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	19.9995	kJ/mol	# Calculated enthalpy of reaction	TmSO4+
+
+Tm+3 + SO4-2 = TmSO4+
+        -llnl_gamma 4
+        log_k 3.5697
+	-delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+
 #	Enthalpy of formation:	-381.12 kcal/mol
-        -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002
+        -analytic 3.0441e+2 8.607e-2 -8.9592e+3 -1.1979e+2 -1.3989e+2
 #       -Range:  0-300
 
-4.0000 HCO3- + 1.0000 U++++  =  U(CO3)4---- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -6.2534
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(CO3)4-4
+4 HCO3- + U+4 = U(CO3)4-4 + 4 H+
+        -llnl_gamma 4
+        log_k -6.2534
+	-delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 HCO3- + 1.0000 U++++  =  U(CO3)5-6 +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -17.7169
-	-delta_H	53.5172	kJ/mol	# Calculated enthalpy of reaction	U(CO3)5-6
+
+5 HCO3- + U+4 = U(CO3)5-6 + 5 H+
+        -llnl_gamma 4
+        log_k -17.7169
+	-delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6
 #	Enthalpy of formation:	-3987.35 kJ/mol
-        -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002
+        -analytic 6.302e+2 1.9391e-1 -1.9238e+4 -2.5912e+2 -3.0038e+2
 #       -Range:  0-300
 
-2.0000 NO3- + 1.0000 U++++  =  U(NO3)2++
-        -llnl_gamma           4.5    
-        log_k           +2.2610
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(NO3)2+2
+2 NO3- + U+4 = U(NO3)2+2
+        -llnl_gamma 4.5
+        log_k 2.261
+	-delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 U++++  =  U(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -4.57
-	-delta_H	78.7553	kJ/mol	# Calculated enthalpy of reaction	U(OH)4
+
+4 H2O + U+4 = U(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k -4.57
+	-delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4
 #	Enthalpy of formation:	-1655.8 kJ/mol
-        -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002
+        -analytic 2.6685e+2 9.8204e-2 -9.4428e+3 -1.0871e+2 -1.6045e+2
 #       -Range:  0-200
 
-2.0000 Thiocyanate- + 1.0000 U++++  =  U(Thiocyanate)2++
-        -llnl_gamma           4.5    
-        log_k           +4.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(Thiocyanate)2+2
+2 Thiocyanate- + U+4 = U(Thiocyanate)2+2
+        -llnl_gamma 4.5
+        log_k 4.26
+	-delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2
 #	Enthalpy of formation:	-456.4 kJ/mol
-        -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001
+        -analytic 6.2193e+0 2.7673e-2 2.4326e+3 -7.4158e+0 3.7957e+1
 #       -Range:  0-300
 
-2.0000 SO4-- + 1.0000 U++++  =  U(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +10.3507
-	-delta_H	33.2232	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
+2 SO4-2 + U+4 = U(SO4)2
+        -llnl_gamma 3
+        log_k 10.3507
+	-delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2
 #	Enthalpy of formation:	-2377.18 kJ/mol
-        -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002
+        -analytic 4.9476e+2 1.7832e-1 -1.1901e+4 -2.0111e+2 -2.0227e+2
 #       -Range:  0-200
 
-1.0000 U++++ + 1.0000 Br-  =  UBr+++
-        -llnl_gamma           5.0    
-        log_k           +1.4240
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UBr+3
+U+4 + Br- = UBr+3
+        -llnl_gamma 5
+        log_k 1.424
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 Cl-  =  UCl+++
-        -llnl_gamma           5.0    
-        log_k           +1.7073
-	-delta_H	-18.9993	kJ/mol	# Calculated enthalpy of reaction	UCl+3
+
+U+4 + Cl- = UCl+3
+        -llnl_gamma 5
+        log_k 1.7073
+	-delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3
 #	Enthalpy of formation:	-777.279 kJ/mol
-        -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001
+        -analytic 9.4418e+1 4.1718e-2 -7.0675e+2 -4.1532e+1 -1.1056e+1
 #       -Range:  0-300
 
-1.0000 U++++ + 1.0000 F-  =  UF+++
-        -llnl_gamma           5.0    
-        log_k           +9.2403
-	-delta_H	-5.6024	kJ/mol	# Calculated enthalpy of reaction	UF+3
+U+4 + F- = UF+3
+        -llnl_gamma 5
+        log_k 9.2403
+	-delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3
 #	Enthalpy of formation:	-932.15 kJ/mol
-        -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001
+        -analytic 1.1828e+2 3.8097e-2 -2.2531e+3 -4.5594e+1 -3.5193e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 U++++  =  UF2++
-        -llnl_gamma           4.5    
-        log_k           +16.1505
-	-delta_H	-3.5048	kJ/mol	# Calculated enthalpy of reaction	UF2+2
+2 F- + U+4 = UF2+2
+        -llnl_gamma 4.5
+        log_k 16.1505
+	-delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2
 #	Enthalpy of formation:	-1265.4 kJ/mol
-        -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001
+        -analytic 2.3537e+2 7.7064e-2 -4.8455e+3 -9.1296e+1 -7.5679e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 U++++  =  UF3+
-        -llnl_gamma           4.0    
-        log_k           +21.4806
-	-delta_H	0.4938	kJ/mol	# Calculated enthalpy of reaction	UF3+
+3 F- + U+4 = UF3+
+        -llnl_gamma 4
+        log_k 21.4806
+	-delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+
 #	Enthalpy of formation:	-1596.75 kJ/mol
-        -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002
+        -analytic 3.5097e+2 1.1714e-1 -7.4569e+3 -1.3714e+2 -1.1646e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 U++++  =  UF4
-        -llnl_gamma           3.0    
-        log_k           +25.4408
-	-delta_H	-4.2146	kJ/mol	# Calculated enthalpy of reaction	UF4
+4 F- + U+4 = UF4
+        -llnl_gamma 3
+        log_k 25.4408
+	-delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4
 #	Enthalpy of formation:	-1936.81 kJ/mol
-        -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002
+        -analytic 7.8549e+2 2.7922e-1 -1.6213e+4 -3.1881e+2 -2.7559e+2
 #       -Range:  0-200
 
-5.0000 F- + 1.0000 U++++  =  UF5-
-        -llnl_gamma           4.0    
-        log_k           +26.8110
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF5-
+5 F- + U+4 = UF5-
+        -llnl_gamma 4
+        log_k 26.811
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UF5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 F- + 1.0000 U++++  =  UF6--
-        -llnl_gamma           4.0    
-        log_k           +28.8412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UF6-2
+
+6 F- + U+4 = UF6-2
+        -llnl_gamma 4
+        log_k 28.8412
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 I-  =  UI+++
-        -llnl_gamma           5.0    
-        log_k           +1.2151
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UI+3
+
+U+4 + I- = UI+3
+        -llnl_gamma 5
+        log_k 1.2151
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UI+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 U++++ + 1.0000 NO3-  =  UNO3+++
-        -llnl_gamma           5.0    
-        log_k           +1.4506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UNO3+3
+
+U+4 + NO3- = UNO3+3
+        -llnl_gamma 5
+        log_k 1.4506
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)2-- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.7467
-	-delta_H	47.9065	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)2-2
+
+2 HCO3- + UO2+2 = UO2(CO3)2-2 + 2 H+
+        -llnl_gamma 4
+        log_k -3.7467
+	-delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2
 #	Enthalpy of formation:	-2350.96 kJ/mol
-        -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002
+        -analytic 2.6569e+2 8.1552e-2 -9.0918e+3 -1.0638e+2 -1.4195e+2
 #       -Range:  0-300
 
-3.0000 HCO3- + 1.0000 UO2+  =  UO2(CO3)3-5 +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -23.6241
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(CO3)3-5
+3 HCO3- + UO2+ = UO2(CO3)3-5 + 3 H+
+        -llnl_gamma 4
+        log_k -23.6241
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 HCO3- + 1.0000 UO2++  =  UO2(CO3)3---- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -9.4302
-	-delta_H	4.9107	kJ/mol	# Calculated enthalpy of reaction	UO2(CO3)3-4
+
+3 HCO3- + UO2+2 = UO2(CO3)3-4 + 3 H+
+        -llnl_gamma 4
+        log_k -9.4302
+	-delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4
 #	Enthalpy of formation:	-3083.89 kJ/mol
-        -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002
+        -analytic 3.7918e+2 1.1789e-1 -1.0233e+4 -1.5738e+2 -1.5978e+2
 #       -Range:  0-300
 
-3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++  =  UO2(H2PO4)(H3PO4)+
-        -llnl_gamma           4.0    
-        log_k           +22.7537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)(H3PO4)+
+3 H+ + 2 HPO4-2 + UO2+2 = UO2(H2PO4)(H3PO4)+
+        -llnl_gamma 4
+        log_k 22.7537
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++  =  UO2(H2PO4)2
-        -llnl_gamma           3.0    
-        log_k           +21.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(H2PO4)2
+
+2 HPO4-2 + 2 H+ + UO2+2 = UO2(H2PO4)2
+        -llnl_gamma 3
+        log_k 21.7437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 IO3- + 1.0000 UO2++  =  UO2(IO3)2
-        -llnl_gamma           3.0    
-        log_k           +2.9969
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(IO3)2
+
+2 IO3- + UO2+2 = UO2(IO3)2
+        -llnl_gamma 3
+        log_k 2.9969
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 N3- + 1.0000 UO2++  =  UO2(N3)2
-        -llnl_gamma           3.0    
-        log_k           +4.3301
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)2
+
+2 N3- + UO2+2 = UO2(N3)2
+        -llnl_gamma 3
+        log_k 4.3301
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 N3- + 1.0000 UO2++  =  UO2(N3)3-
-        -llnl_gamma           4.0    
-        log_k           +5.7401
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)3-
+
+3 N3- + UO2+2 = UO2(N3)3-
+        -llnl_gamma 4
+        log_k 5.7401
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 N3- + 1.0000 UO2++  =  UO2(N3)4--
-        -llnl_gamma           4.0    
-        log_k           +4.9200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(N3)4-2
+
+4 N3- + UO2+2 = UO2(N3)4-2
+        -llnl_gamma 4
+        log_k 4.92
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 UO2++  =  UO2(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -10.3146
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)2
+
+2 H2O + UO2+2 = UO2(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -10.3146
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 UO2++  =  UO2(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -19.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)3-
+
+3 H2O + UO2+2 = UO2(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -19.2218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 UO2++  =  UO2(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -33.0291
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(OH)4-2
+
+4 H2O + UO2+2 = UO2(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -33.0291
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +1.2401
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)2
+
+2 Thiocyanate- + UO2+2 = UO2(Thiocyanate)2
+        -llnl_gamma 3
+        log_k 1.2401
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2
 #	Enthalpy of formation:	-857.3 kJ/mol
-        -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001
+        -analytic 9.4216e+1 3.284e-2 -2.4849e+3 -3.8162e+1 -4.2231e+1
 #       -Range:  0-200
 
-3.0000 Thiocyanate- + 1.0000 UO2++  =  UO2(Thiocyanate)3-
-        -llnl_gamma           4.0    
-        log_k           +2.1001
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(Thiocyanate)3-
+3 Thiocyanate- + UO2+2 = UO2(Thiocyanate)3-
+        -llnl_gamma 4
+        log_k 2.1001
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3-
 #	Enthalpy of formation:	-783.8 kJ/mol
-        -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000
+        -analytic 1.6622e+1 2.2714e-2 4.9707e+2 -9.2785e+0 7.7512e+0
 #       -Range:  0-300
 
-2.0000 SO3-- + 1.0000 UO2++  =  UO2(SO3)2--
-        -llnl_gamma           4.0    
-        log_k           +7.9101
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(SO3)2-2
+2 SO3-2 + UO2+2 = UO2(SO3)2-2
+        -llnl_gamma 4
+        log_k 7.9101
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 UO2++  =  UO2(SO4)2--
-        -llnl_gamma           4.0    
-        log_k           +3.9806
-	-delta_H	35.6242	kJ/mol	# Calculated enthalpy of reaction	UO2(SO4)2-2
+
+2 SO4-2 + UO2+2 = UO2(SO4)2-2
+        -llnl_gamma 4
+        log_k 3.9806
+	-delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2
 #	Enthalpy of formation:	-2802.58 kJ/mol
-        -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002
+        -analytic 3.9907e+2 1.3536e-1 -1.0813e+4 -1.613e+2 -1.6884e+2
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 Br-  =  UO2Br+
-        -llnl_gamma           4.0    
-        log_k           +0.1840
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Br+
+UO2+2 + Br- = UO2Br+
+        -llnl_gamma 4
+        log_k 0.184
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 BrO3-  =  UO2BrO3+
-        -llnl_gamma           4.0    
-        log_k           +0.5510
-	-delta_H	0.46952	kJ/mol	# Calculated enthalpy of reaction	UO2BrO3+
+
+UO2+2 + BrO3- = UO2BrO3+
+        -llnl_gamma 4
+        log_k 0.551
+	-delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+
 #	Enthalpy of formation:	-1085.6 kJ/mol
-        -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001
+        -analytic 8.2618e+1 2.6921e-2 -2.0144e+3 -3.3673e+1 -3.1457e+1
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 HCO3-  =  UO2CO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -0.6634
-	-delta_H	19.7032	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
+UO2+2 + HCO3- = UO2CO3 + H+
+        -llnl_gamma 3
+        log_k -0.6634
+	-delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3
 #	Enthalpy of formation:	-1689.23 kJ/mol
-        -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001
+        -analytic 7.3898e+1 2.8127e-2 -2.4347e+3 -3.0217e+1 -4.1371e+1
 #       -Range:  0-200
 
-1.0000 UO2++ + 1.0000 Cl-  =  UO2Cl+
-        -llnl_gamma           4.0    
-        log_k           +0.1572
-	-delta_H	8.00167	kJ/mol	# Calculated enthalpy of reaction	UO2Cl+
+UO2+2 + Cl- = UO2Cl+
+        -llnl_gamma 4
+        log_k 0.1572
+	-delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+
 #	Enthalpy of formation:	-1178.08 kJ/mol
-        -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001
+        -analytic 9.8139e+1 3.8869e-2 -2.3178e+3 -4.1133e+1 -3.6196e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 UO2++  =  UO2Cl2
-        -llnl_gamma           3.0    
-        log_k           -1.1253
-	-delta_H	15.0013	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
+2 Cl- + UO2+2 = UO2Cl2
+        -llnl_gamma 3
+        log_k -1.1253
+	-delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2
 #	Enthalpy of formation:	-1338.16 kJ/mol
-        -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001
+        -analytic 3.4087e+1 1.384e-2 -1.3664e+3 -1.4043e+1 -2.3216e+1
 #       -Range:  0-200
 
-1.0000 UO2++ + 1.0000 ClO3-  =  UO2ClO3+
-        -llnl_gamma           4.0    
-        log_k           +0.4919
-	-delta_H	-3.9266	kJ/mol	# Calculated enthalpy of reaction	UO2ClO3+
+UO2+2 + ClO3- = UO2ClO3+
+        -llnl_gamma 4
+        log_k 0.4919
+	-delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+
 #	Enthalpy of formation:	-1126.9 kJ/mol
-        -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001
+        -analytic 9.6263e+1 2.8926e-2 -2.3068e+3 -3.9057e+1 -3.6025e+1
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 F-  =  UO2F+
-        -llnl_gamma           4.0    
-        log_k           +5.0502
-	-delta_H	1.6976	kJ/mol	# Calculated enthalpy of reaction	UO2F+
+UO2+2 + F- = UO2F+
+        -llnl_gamma 4
+        log_k 5.0502
+	-delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+
 #	Enthalpy of formation:	-1352.65 kJ/mol
-        -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001
+        -analytic 1.1476e+2 4.0682e-2 -2.4467e+3 -4.5914e+1 -3.8212e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 UO2++  =  UO2F2
-        -llnl_gamma           3.0    
-        log_k           +8.5403
-	-delta_H	2.0962	kJ/mol	# Calculated enthalpy of reaction	UO2F2
+2 F- + UO2+2 = UO2F2
+        -llnl_gamma 3
+        log_k 8.5403
+	-delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2
 #	Enthalpy of formation:	-1687.6 kJ/mol
-        -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001
+        -analytic 2.7673e+2 9.919e-2 -5.8371e+3 -1.1242e+2 -9.9219e+1
 #       -Range:  0-200
 
-3.0000 F- + 1.0000 UO2++  =  UO2F3-
-        -llnl_gamma           4.0    
-        log_k           +10.7806
-	-delta_H	2.3428	kJ/mol	# Calculated enthalpy of reaction	UO2F3-
+3 F- + UO2+2 = UO2F3-
+        -llnl_gamma 4
+        log_k 10.7806
+	-delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3-
 #	Enthalpy of formation:	-2022.7 kJ/mol
-        -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002
+        -analytic 3.3383e+2 9.216e-2 -8.7975e+3 -1.2972e+2 -1.3738e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 UO2++  =  UO2F4--
-        -llnl_gamma           4.0    
-        log_k           +11.5407
-	-delta_H	0.2814	kJ/mol	# Calculated enthalpy of reaction	UO2F4-2
+4 F- + UO2+2 = UO2F4-2
+        -llnl_gamma 4
+        log_k 11.5407
+	-delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2
 #	Enthalpy of formation:	-2360.11 kJ/mol
-        -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002
+        -analytic 4.4324e+2 1.3808e-1 -1.0705e+4 -1.7657e+2 -1.6718e+2
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+  =  UO2H2PO4+
-        -llnl_gamma           4.0    
-        log_k           +11.6719
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H2PO4+
+UO2+2 + HPO4-2 + H+ = UO2H2PO4+
+        -llnl_gamma 4
+        log_k 11.6719
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4--  =  UO2H3PO4++
-        -llnl_gamma           4.5    
-        log_k           +11.3119
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2H3PO4+2
+
+2 H+ + UO2+2 + HPO4-2 = UO2H3PO4+2
+        -llnl_gamma 4.5
+        log_k 11.3119
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 HPO4--  =  UO2HPO4
-        -llnl_gamma           3.0    
-        log_k           +8.4398
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
+
+UO2+2 + HPO4-2 = UO2HPO4
+        -llnl_gamma 3
+        log_k 8.4398
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 IO3-  =  UO2IO3+
-        -llnl_gamma           4.0    
-        log_k           +1.7036
-	-delta_H	11.4336	kJ/mol	# Calculated enthalpy of reaction	UO2IO3+
+
+UO2+2 + IO3- = UO2IO3+
+        -llnl_gamma 4
+        log_k 1.7036
+	-delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+
 #	Enthalpy of formation:	-1228.9 kJ/mol
-        -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001
+        -analytic 1.0428e+2 2.962e-2 -3.2441e+3 -4.0618e+1 -5.0651e+1
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 N3-  =  UO2N3+
-        -llnl_gamma           4.0    
-        log_k           +2.5799
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2N3+
+UO2+2 + N3- = UO2N3+
+        -llnl_gamma 4
+        log_k 2.5799
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 NO3-  =  UO2NO3+
-        -llnl_gamma           4.0    
-        log_k           +0.2805
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2NO3+
+
+UO2+2 + NO3- = UO2NO3+
+        -llnl_gamma 4
+        log_k 0.2805
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 H2O  =  UO2OH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.2073
-	-delta_H	43.1813	kJ/mol	# Calculated enthalpy of reaction	UO2OH+
+
+UO2+2 + H2O = UO2OH+ + H+
+        -llnl_gamma 4
+        log_k -5.2073
+	-delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+
 #	Enthalpy of formation:	-1261.66 kJ/mol
-        -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001
+        -analytic 3.4387e+1 6.0811e-3 -3.3068e+3 -1.2252e+1 -5.1609e+1
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 HPO4--  =  UO2PO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           +2.0798
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2PO4-
+UO2+2 + HPO4-2 = UO2PO4- + H+
+        -llnl_gamma 4
+        log_k 2.0798
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 #2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++  =  UO2S2O3 +1.0000 H2O +1.0000 O2
 #S2O3--  + O2  + H2O = 2.0000 H+  + 2.0000 SO3--   log_k          40.2906
-S2O3-- + UO2++ = UO2S2O3 
-        -llnl_gamma           3.0    
+S2O3-2 + UO2+2 = UO2S2O3
+        -llnl_gamma 3
 #        log_k           -38.0666
 	log_k 2.224
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2S2O3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 Thiocyanate-  =  UO2Thiocyanate+
-        -llnl_gamma           4.0    
-        log_k           +1.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2Thiocyanate+
+
+UO2+2 + Thiocyanate- = UO2Thiocyanate+
+        -llnl_gamma 4
+        log_k 1.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+
 #	Enthalpy of formation:	-939.38 kJ/mol
-        -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000
+        -analytic 4.7033e+0 1.2562e-2 4.9095e+2 -3.5097e+0 7.6593e+0
 #       -Range:  0-300
 
-1.0000 UO2++ + 1.0000 SO3--  =  UO2SO3
-        -llnl_gamma           3.0    
-        log_k           +6.7532
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2SO3
+UO2+2 + SO3-2 = UO2SO3
+        -llnl_gamma 3
+        log_k 6.7532
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 UO2++ + 1.0000 SO4--  =  UO2SO4
-        -llnl_gamma           3.0    
-        log_k           +3.0703
-	-delta_H	19.7626	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
+
+UO2+2 + SO4-2 = UO2SO4
+        -llnl_gamma 3
+        log_k 3.0703
+	-delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4
 #	Enthalpy of formation:	-1908.84 kJ/mol
-        -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001
+        -analytic 1.9514e+2 7.0951e-2 -4.9949e+3 -7.9394e+1 -8.4888e+1
 #       -Range:  0-200
 
-1.0000 U++++ + 1.0000 H2O  =  UOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           -0.5472
-	-delta_H	46.9183	kJ/mol	# Calculated enthalpy of reaction	UOH+3
+U+4 + H2O = UOH+3 + H+
+        -llnl_gamma 5
+        log_k -0.5472
+	-delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3
 #	Enthalpy of formation:	-830.12 kJ/mol
-        -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001
+        -analytic 4.0793e+1 1.3563e-3 -3.8441e+3 -1.1659e+1 -5.9996e+1
 #       -Range:  0-300
 
-1.0000 U++++ + 1.0000 Thiocyanate-  =  UThiocyanate+++
-        -llnl_gamma           5.0    
-        log_k           +2.9700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UThiocyanate+3
+U+4 + Thiocyanate- = UThiocyanate+3
+        -llnl_gamma 5
+        log_k 2.97
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3
 #	Enthalpy of formation:	-541.8 kJ/mol
-        -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001
+        -analytic 4.0286e-1 1.5909e-2 2.3026e+3 -3.9973e+0 3.5929e+1
 #       -Range:  0-300
 
-1.0000 U++++ + 1.0000 SO4--  =  USO4++
-        -llnl_gamma           4.5    
-        log_k           +6.5003
-	-delta_H	8.2616	kJ/mol	# Calculated enthalpy of reaction	USO4+2
+U+4 + SO4-2 = USO4+2
+        -llnl_gamma 4.5
+        log_k 6.5003
+	-delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2
 #	Enthalpy of formation:	-1492.54 kJ/mol
-        -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001
+        -analytic 1.9418e+2 7.5458e-2 -4.0646e+3 -7.9416e+1 -6.3482e+1
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 V+++  =  V(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.9193
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V(OH)2+
+2 H2O + V+3 = V(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -5.9193
+	-delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 V+++ + 2.0000 H2O  =  V2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -3.8
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	V2(OH)2+4
+
+2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -3.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+  =  VO(OH)3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -3.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO(OH)3
+
+2 H2O + VO2+ = VO(OH)3 + H+
+        -llnl_gamma 3
+        log_k -3.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 VO2+  =  VO2(HPO4)2---
-        -llnl_gamma           4.0    
-        log_k           +8.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(HPO4)2-3
+
+2 HPO4-2 + VO2+ = VO2(HPO4)2-3
+        -llnl_gamma 4
+        log_k 8.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 VO2+  =  VO2(OH)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2(OH)2-
+
+2 H2O + VO2+ = VO2(OH)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 F-  =  VO2F
-        -llnl_gamma           3.0    
-        log_k           +3.3500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F
+
+VO2+ + F- = VO2F
+        -llnl_gamma 3
+        log_k 3.35
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 VO2+  =  VO2F2-
-        -llnl_gamma           4.0    
-        log_k           +5.8100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2F2-
+
+2 F- + VO2+ = VO2F2-
+        -llnl_gamma 4
+        log_k 5.81
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+  =  VO2H2PO4
-        -llnl_gamma           3.0    
-        log_k           +1.6800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2H2PO4
+
+VO2+ + HPO4-2 + H+ = VO2H2PO4
+        -llnl_gamma 3
+        log_k 1.68
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 HPO4--  =  VO2HPO4-
-        -llnl_gamma           4.0    
-        log_k           +5.8300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2HPO4-
+
+VO2+ + HPO4-2 = VO2HPO4-
+        -llnl_gamma 4
+        log_k 5.83
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO2+ + 1.0000 SO4--  =  VO2SO4-
-        -llnl_gamma           4.0    
-        log_k           +1.5800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO2SO4-
+
+VO2+ + SO4-2 = VO2SO4-
+        -llnl_gamma 4
+        log_k 1.58
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO4--- + 1.0000 H+  =  VO3OH--
-        -llnl_gamma           4.0    
-        log_k           +14.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VO3OH-2
+
+VO4-3 + H+ = VO3OH-2
+        -llnl_gamma 4
+        log_k 14.26
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 F-  =  VOF+
-        -llnl_gamma           4.0    
-        log_k           +4.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF+
+
+VO+2 + F- = VOF+
+        -llnl_gamma 4
+        log_k 4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VOF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 VO++  =  VOF2
-        -llnl_gamma           3.0    
-        log_k           +6.7800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOF2
+
+2 F- + VO+2 = VOF2
+        -llnl_gamma 3
+        log_k 6.78
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VOF2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 V+++ + 1.0000 H2O  =  VOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.26
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOH+2
+
+V+3 + H2O = VOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.26
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 H2O  =  VOOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.67
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOOH+
+
+VO+2 + H2O = VOOH+ + H+
+        -llnl_gamma 4
+        log_k -5.67
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 VO++ + 1.0000 SO4--  =  VOSO4
-        -llnl_gamma           3.0    
-        log_k           +2.4800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VOSO4
+
+VO+2 + SO4-2 = VOSO4
+        -llnl_gamma 3
+        log_k 2.48
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 V+++ + 1.0000 SO4--  =  VSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.3300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	VSO4+
+
+V+3 + SO4-2 = VSO4+
+        -llnl_gamma 4
+        log_k 3.33
+	-delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Y+++  =  Y(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.9844
-	-delta_H	-34.8109	kJ/mol	# Calculated enthalpy of reaction	Y(Acetate)2+
+
+2 HAcetate + Y+3 = Y(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -4.9844
+	-delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+
 #	Enthalpy of formation:	-411.42 kcal/mol
-        -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005
+        -analytic -3.3011e+1 6.1979e-4 -7.7468e+2 9.638e+0 5.8814e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Y+++  =  Y(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.3783
-	-delta_H	-58.4505	kJ/mol	# Calculated enthalpy of reaction	Y(Acetate)3
+3 HAcetate + Y+3 = Y(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.3783
+	-delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3
 #	Enthalpy of formation:	-533.17 kcal/mol
-        -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005
+        -analytic -3.0086e+1 4.0213e-3 -1.1444e+3 6.1794e+0 8.0827e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Y+++  =  Y(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.3576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(CO3)2-
+2 HCO3- + Y+3 = Y(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.3576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Y+++  =  Y(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +9.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(HPO4)2-
+
+2 HPO4-2 + Y+3 = Y(HPO4)2-
+        -llnl_gamma 4
+        log_k 9.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H2O + 1.0000 Y+++  =  Y(OH)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -16.3902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)2+
+
+2 H2O + Y+3 = Y(OH)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -16.3902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Y+++  =  Y(OH)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -25.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)3
+
+3 H2O + Y+3 = Y(OH)3 + 3 H+
+        -llnl_gamma 3
+        log_k -25.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Y+++  =  Y(OH)4- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -36.4803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(OH)4-
+
+4 H2O + Y+3 = Y(OH)4- + 4 H+
+        -llnl_gamma 4
+        log_k -36.4803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Y+++  =  Y(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.2437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(PO4)2-3
+
+2 HPO4-2 + Y+3 = Y(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -3.2437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Y+++  =  Y(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +4.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y(SO4)2-
+
+2 SO4-2 + Y+3 = Y(SO4)2-
+        -llnl_gamma 4
+        log_k 4.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Y+++ + 2.0000 H2O  =  Y2(OH)2++++ +2.0000 H+
-        -llnl_gamma           5.5    
-        log_k           -14.1902
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Y2(OH)2+4
+
+2 Y+3 + 2 H2O = Y2(OH)2+4 + 2 H+
+        -llnl_gamma 5.5
+        log_k -14.1902
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HAcetate  =  YAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.1184
-	-delta_H	-17.2799	kJ/mol	# Calculated enthalpy of reaction	YAcetate+2
+
+Y+3 + HAcetate = YAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.1184
+	-delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2
 #	Enthalpy of formation:	-291.13 kcal/mol
-        -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005
+        -analytic -1.208e+1 1.2015e-3 -8.4186e+2 3.4522e+0 3.4647e+5
 #       -Range:  0-300
 
-1.0000 Y+++ + 1.0000 HCO3-  =  YCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.2788
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCO3+
+Y+3 + HCO3- = YCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.2788
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 Cl-  =  YCl++
-        -llnl_gamma           4.5    
-        log_k           +0.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YCl+2
+
+Y+3 + Cl- = YCl+2
+        -llnl_gamma 4.5
+        log_k 0.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 F-  =  YF++
-        -llnl_gamma           4.5    
-        log_k           +4.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF+2
+
+Y+3 + F- = YF+2
+        -llnl_gamma 4.5
+        log_k 4.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YF+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Y+++  =  YF2+
-        -llnl_gamma           4.0    
-        log_k           +7.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF2+
+
+2 F- + Y+3 = YF2+
+        -llnl_gamma 4
+        log_k 7.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YF2+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Y+++  =  YF3
-        -llnl_gamma           3.0    
-        log_k           +11.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YF3
+
+3 F- + Y+3 = YF3
+        -llnl_gamma 3
+        log_k 11.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YF3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+  =  YH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.6054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YH2PO4+2
+
+Y+3 + HPO4-2 + H+ = YH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.6054
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HCO3-  =  YHCO3++
-        -llnl_gamma           4.5    
-        log_k           +2.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHCO3+2
+
+Y+3 + HCO3- = YHCO3+2
+        -llnl_gamma 4.5
+        log_k 2.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4--  =  YHPO4+
-        -llnl_gamma           4.0    
-        log_k           +5.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YHPO4+
+
+Y+3 + HPO4-2 = YHPO4+
+        -llnl_gamma 4
+        log_k 5.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 NO3-  =  YNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YNO3+2
+
+Y+3 + NO3- = YNO3+2
+        -llnl_gamma 4.5
+        log_k 0.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 H2O  =  YOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YOH+2
+
+Y+3 + H2O = YOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.6951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 HPO4--  =  YPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YPO4
+
+Y+3 + HPO4-2 = YPO4 + H+
+        -llnl_gamma 3
+        log_k 0.2782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Y+++ + 1.0000 SO4--  =  YSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YSO4+
+
+Y+3 + SO4-2 = YSO4+
+        -llnl_gamma 4
+        log_k 3.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HAcetate + 1.0000 Yb+++  =  Yb(Acetate)2+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -5.131
-	-delta_H	-30.334	kJ/mol	# Calculated enthalpy of reaction	Yb(Acetate)2+
+
+2 HAcetate + Yb+3 = Yb(Acetate)2+ + 2 H+
+        -llnl_gamma 4
+        log_k -5.131
+	-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+
 #	Enthalpy of formation:	-399.75 kcal/mol
-        -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005
+        -analytic -3.4286e+1 9.4069e-4 -6.512e+2 1.0071e+1 5.4773e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Yb+++  =  Yb(Acetate)3 +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -8.5688
-	-delta_H	-51.4214	kJ/mol	# Calculated enthalpy of reaction	Yb(Acetate)3
+3 HAcetate + Yb+3 = Yb(Acetate)3 + 3 H+
+        -llnl_gamma 3
+        log_k -8.5688
+	-delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3
 #	Enthalpy of formation:	-520.89 kcal/mol
-        -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005
+        -analytic -6.2211e+1 -6.1589e-4 5.9577e+2 1.7954e+1 6.6116e+5
 #       -Range:  0-300
 
-2.0000 HCO3- + 1.0000 Yb+++  =  Yb(CO3)2- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -7.0576
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(CO3)2-
+2 HCO3- + Yb+3 = Yb(CO3)2- + 2 H+
+        -llnl_gamma 4
+        log_k -7.0576
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(HPO4)2-
-        -llnl_gamma           4.0    
-        log_k           +10.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(HPO4)2-
+
+2 HPO4-2 + Yb+3 = Yb(HPO4)2-
+        -llnl_gamma 4
+        log_k 10.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 # Redundant with YbO2-
 #4.0000 H2O + 1.0000 Yb+++  =  Yb(OH)4- +4.0000 H+
-#        -llnl_gamma           4.0    
+#        -llnl_gamma           4.0
 #        log_k           -32.6803
 #	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)4-
 ##	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 HPO4-- + 1.0000 Yb+++  =  Yb(PO4)2--- +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.7437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(PO4)2-3
+
+2 HPO4-2 + Yb+3 = Yb(PO4)2-3 + 2 H+
+        -llnl_gamma 4
+        log_k -2.7437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Yb+++  =  Yb(SO4)2-
-        -llnl_gamma           4.0    
-        log_k           +5.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(SO4)2-
+
+2 SO4-2 + Yb+3 = Yb(SO4)2-
+        -llnl_gamma 4
+        log_k 5.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 HAcetate  =  YbAcetate++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -2.199
-	-delta_H	-15.2298	kJ/mol	# Calculated enthalpy of reaction	YbAcetate+2
+
+Yb+3 + HAcetate = YbAcetate+2 + H+
+        -llnl_gamma 4.5
+        log_k -2.199
+	-delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2
 #	Enthalpy of formation:	-280.04 kcal/mol
-        -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005
+        -analytic -8.5003e+0 2.2459e-3 -9.6434e+2 2.063e+0 3.355e+5
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 HCO3-  =  YbCO3+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -2.0392
-	-delta_H	82.8348	kJ/mol	# Calculated enthalpy of reaction	YbCO3+
+Yb+3 + HCO3- = YbCO3+ + H+
+        -llnl_gamma 4
+        log_k -2.0392
+	-delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+
 #	Enthalpy of formation:	-305.4 kcal/mol
-        -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002
+        -analytic 2.3533e+2 5.4436e-2 -6.7871e+3 -9.328e+1 -1.0598e+2
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 Cl-  =  YbCl++
-        -llnl_gamma           4.5    
-        log_k           +0.1620
-	-delta_H	13.9453	kJ/mol	# Calculated enthalpy of reaction	YbCl+2
+Yb+3 + Cl- = YbCl+2
+        -llnl_gamma 4.5
+        log_k 0.162
+	-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2
 #	Enthalpy of formation:	-196.9 kcal/mol
-        -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001
+        -analytic 8.0452e+1 3.8343e-2 -1.8176e+3 -3.4594e+1 -2.8386e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Yb+++  =  YbCl2+
-        -llnl_gamma           4.0    
-        log_k           -0.2624
-	-delta_H	17.4305	kJ/mol	# Calculated enthalpy of reaction	YbCl2+
+2 Cl- + Yb+3 = YbCl2+
+        -llnl_gamma 4
+        log_k -0.2624
+	-delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+
 #	Enthalpy of formation:	-236 kcal/mol
-        -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001
+        -analytic 2.1708e+2 8.055e-2 -5.4744e+3 -9.0101e+1 -8.5487e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Yb+++  =  YbCl3
-        -llnl_gamma           3.0    
-        log_k           -0.7601
-	-delta_H	8.36382	kJ/mol	# Calculated enthalpy of reaction	YbCl3
+3 Cl- + Yb+3 = YbCl3
+        -llnl_gamma 3
+        log_k -0.7601
+	-delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3
 #	Enthalpy of formation:	-278.1 kcal/mol
-        -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002
+        -analytic 4.0887e+2 1.2992e-1 -1.0578e+4 -1.6684e+2 -1.6518e+2
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Yb+++  =  YbCl4-
-        -llnl_gamma           4.0    
-        log_k           -1.1845
-	-delta_H	-15.7653	kJ/mol	# Calculated enthalpy of reaction	YbCl4-
+4 Cl- + Yb+3 = YbCl4-
+        -llnl_gamma 4
+        log_k -1.1845
+	-delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4-
 #	Enthalpy of formation:	-323.8 kcal/mol
-        -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002
+        -analytic 4.756e+2 1.3032e-1 -1.2452e+4 -1.9149e+2 -1.9444e+2
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 F-  =  YbF++
-        -llnl_gamma           4.5    
-        log_k           +4.8085
-	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	YbF+2
+Yb+3 + F- = YbF+2
+        -llnl_gamma 4.5
+        log_k 4.8085
+	-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2
 #	Enthalpy of formation:	-234.9 kcal/mol
-        -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001
+        -analytic 1.0291e+2 4.2493e-2 -2.7637e+3 -4.1008e+1 -4.3156e+1
 #       -Range:  0-300
 
-2.0000 F- + 1.0000 Yb+++  =  YbF2+
-        -llnl_gamma           4.0    
-        log_k           +8.3709
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	YbF2+
+2 F- + Yb+3 = YbF2+
+        -llnl_gamma 4
+        log_k 8.3709
+	-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+
 #	Enthalpy of formation:	-317.7 kcal/mol
-        -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001
+        -analytic 2.4281e+2 8.5385e-2 -5.69e+3 -9.7299e+1 -8.8859e+1
 #       -Range:  0-300
 
-3.0000 F- + 1.0000 Yb+++  =  YbF3
-        -llnl_gamma           3.0    
-        log_k           +11.0537
-	-delta_H	-13.1796	kJ/mol	# Calculated enthalpy of reaction	YbF3
+3 F- + Yb+3 = YbF3
+        -llnl_gamma 3
+        log_k 11.0537
+	-delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3
 #	Enthalpy of formation:	-403.9 kcal/mol
-        -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002
+        -analytic 4.5227e+2 1.3659e-1 -1.0595e+4 -1.8038e+2 -1.6546e+2
 #       -Range:  0-300
 
-4.0000 F- + 1.0000 Yb+++  =  YbF4-
-        -llnl_gamma           4.0    
-        log_k           +13.2234
-	-delta_H	-60.2496	kJ/mol	# Calculated enthalpy of reaction	YbF4-
+4 F- + Yb+3 = YbF4-
+        -llnl_gamma 4
+        log_k 13.2234
+	-delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4-
 #	Enthalpy of formation:	-495.3 kcal/mol
-        -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002
+        -analytic 5.0369e+2 1.3726e-1 -1.0671e+4 -2.0026e+2 -1.6666e+2
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+  =  YbH2PO4++
-        -llnl_gamma           4.5    
-        log_k           +9.5217
-	-delta_H	-20.0204	kJ/mol	# Calculated enthalpy of reaction	YbH2PO4+2
+Yb+3 + HPO4-2 + H+ = YbH2PO4+2
+        -llnl_gamma 4.5
+        log_k 9.5217
+	-delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2
 #	Enthalpy of formation:	-473.9 kcal/mol
-        -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000
+        -analytic 1.0919e+2 6.3749e-2 3.8909e+2 -4.8469e+1 6.0389e+0
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 HCO3-  =  YbHCO3++
-        -llnl_gamma           4.5    
-        log_k           +1.8398
-	-delta_H	5.43083	kJ/mol	# Calculated enthalpy of reaction	YbHCO3+2
+Yb+3 + HCO3- = YbHCO3+2
+        -llnl_gamma 4.5
+        log_k 1.8398
+	-delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2
 #	Enthalpy of formation:	-323.9 kcal/mol
-        -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000
+        -analytic 3.9175e+1 3.1796e-2 6.9728e+1 -1.9002e+1 1.0762e+0
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 HPO4--  =  YbHPO4+
-        -llnl_gamma           4.0    
-        log_k           +6.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbHPO4+
+Yb+3 + HPO4-2 = YbHPO4+
+        -llnl_gamma 4
+        log_k 6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 NO3-  =  YbNO3++
-        -llnl_gamma           4.5    
-        log_k           +0.2148
-	-delta_H	-32.9323	kJ/mol	# Calculated enthalpy of reaction	YbNO3+2
+
+Yb+3 + NO3- = YbNO3+2
+        -llnl_gamma 4.5
+        log_k 0.2148
+	-delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2
 #	Enthalpy of formation:	-217.6 kcal/mol
-        -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001
+        -analytic 1.7237e+1 2.5684e-2 2.2806e+3 -1.3055e+1 3.5581e+1
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 H2O  =  YbO+ +2.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.7506
-	-delta_H	105.508	kJ/mol	# Calculated enthalpy of reaction	YbO+
+Yb+3 + H2O = YbO+ + 2 H+
+        -llnl_gamma 4
+        log_k -15.7506
+	-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+
 #	Enthalpy of formation:	-203.4 kcal/mol
-        -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002
+        -analytic 1.7675e+2 2.9078e-2 -1.3106e+4 -6.3534e+1 -2.0456e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Yb+++  =  YbO2- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -32.6741
-	-delta_H	267.918	kJ/mol	# Calculated enthalpy of reaction	YbO2-
+2 H2O + Yb+3 = YbO2- + 4 H+
+        -llnl_gamma 4
+        log_k -32.6741
+	-delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2-
 #	Enthalpy of formation:	-232.9 kcal/mol
-        -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002
+        -analytic 1.5529e+2 1.0053e-2 -1.8749e+4 -5.1764e+1 -2.926e+2
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Yb+++  =  YbO2H +3.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -23.878
-	-delta_H	211.016	kJ/mol	# Calculated enthalpy of reaction	YbO2H
+2 H2O + Yb+3 = YbO2H + 3 H+
+        -llnl_gamma 3
+        log_k -23.878
+	-delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H
 #	Enthalpy of formation:	-246.5 kcal/mol
-        -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002
+        -analytic 3.2148e+2 4.4821e-2 -2.1971e+4 -1.1519e+2 -3.4293e+2
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 H2O  =  YbOH++ +1.0000 H+
-        -llnl_gamma           4.5    
-        log_k           -7.6143
-	-delta_H	74.9647	kJ/mol	# Calculated enthalpy of reaction	YbOH+2
+Yb+3 + H2O = YbOH+2 + H+
+        -llnl_gamma 4.5
+        log_k -7.6143
+	-delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2
 #	Enthalpy of formation:	-210.7 kcal/mol
-        -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001
+        -analytic 5.8142e+1 1.1402e-2 -5.6488e+3 -2.0289e+1 -8.816e+1
 #       -Range:  0-300
 
-1.0000 Yb+++ + 1.0000 HPO4--  =  YbPO4 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           +0.5782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4
+Yb+3 + HPO4-2 = YbPO4 + H+
+        -llnl_gamma 3
+        log_k 0.5782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Yb+++ + 1.0000 SO4--  =  YbSO4+
-        -llnl_gamma           4.0    
-        log_k           +3.5697
-	-delta_H	1424.65	kJ/mol	# Calculated enthalpy of reaction	YbSO4+
+
+Yb+3 + SO4-2 = YbSO4+
+        -llnl_gamma 4
+        log_k 3.5697
+	-delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+
 #	Enthalpy of formation:	-37.2 kcal/mol
-        -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002
+        -analytic 3.0675e+2 8.6527e-2 -9.0298e+3 -1.2069e+2 -1.4099e+2
 #       -Range:  0-300
 
-2.0000 HAcetate + 1.0000 Zn++  =  Zn(Acetate)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.062
-	-delta_H	-11.0458	kJ/mol	# Calculated enthalpy of reaction	Zn(Acetate)2
+2 HAcetate + Zn+2 = Zn(Acetate)2 + 2 H+
+        -llnl_gamma 3
+        log_k -6.062
+	-delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2
 #	Enthalpy of formation:	-271.5 kcal/mol
-        -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005
+        -analytic -2.2038e+1 2.6133e-3 -2.7652e+3 6.8501e+0 6.7086e+5
 #       -Range:  0-300
 
-3.0000 HAcetate + 1.0000 Zn++  =  Zn(Acetate)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -10.0715
-	-delta_H	25.355	kJ/mol	# Calculated enthalpy of reaction	Zn(Acetate)3-
+3 HAcetate + Zn+2 = Zn(Acetate)3- + 3 H+
+        -llnl_gamma 4
+        log_k -10.0715
+	-delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3-
 #	Enthalpy of formation:	-378.9 kcal/mol
-        -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006
+        -analytic 3.5104e+1 -6.1568e-3 -1.3379e+4 -8.7697e+0 2.067e+6
 #       -Range:  0-300
 
-4.0000 Cyanide- + 1.0000 Zn++  =  Zn(Cyanide)4--
-        -llnl_gamma           4.0    
-        log_k           +16.7040
-	-delta_H	-107.305	kJ/mol	# Calculated enthalpy of reaction	Zn(Cyanide)4-2
+4 Cyanide- + Zn+2 = Zn(Cyanide)4-2
+        -llnl_gamma 4
+        log_k 16.704
+	-delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2
 #	Enthalpy of formation:	341.806 kJ/mol
-        -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001
+        -analytic 3.6586e+2 1.2655e-1 -2.9546e+3 -1.5232e+2 -4.6213e+1
 #       -Range:  0-300
 
-2.0000 N3- + 1.0000 Zn++  =  Zn(N3)2
-        -llnl_gamma           3.0    
-        log_k           +1.1954
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(N3)2
+2 N3- + Zn+2 = Zn(N3)2
+        -llnl_gamma 3
+        log_k 1.1954
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 NH3  =  Zn(NH3)++
-        -llnl_gamma           4.5    
-        log_k           +2.0527
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)+2
+
+Zn+2 + NH3 = Zn(NH3)+2
+        -llnl_gamma 4.5
+        log_k 2.0527
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)2++
-        -llnl_gamma           4.5    
-        log_k           +4.2590
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)2+2
+
+2 NH3 + Zn+2 = Zn(NH3)2+2
+        -llnl_gamma 4.5
+        log_k 4.259
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)3++
-        -llnl_gamma           4.5    
-        log_k           +6.4653
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(NH3)3+2
+
+3 NH3 + Zn+2 = Zn(NH3)3+2
+        -llnl_gamma 4.5
+        log_k 6.4653
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 NH3 + 1.0000 Zn++  =  Zn(NH3)4++
-        -llnl_gamma           4.5    
-        log_k           +8.3738
-	-delta_H	-54.9027	kJ/mol	# Calculated enthalpy of reaction	Zn(NH3)4+2
+
+4 NH3 + Zn+2 = Zn(NH3)4+2
+        -llnl_gamma 4.5
+        log_k 8.3738
+	-delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2
 #	Enthalpy of formation:	-533.636 kJ/mol
-        -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001
+        -analytic 1.5851e+2 -6.3376e-3 -4.6783e+3 -5.356e+1 -7.3047e+1
 #       -Range:  0-300
 
-2.0000 H2O + 1.0000 Zn++  =  Zn(OH)2 +2.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -17.3282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2
+2 H2O + Zn+2 = Zn(OH)2 + 2 H+
+        -llnl_gamma 3
+        log_k -17.3282
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Zn++  =  Zn(OH)3- +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -28.8369
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)3-
+
+3 H2O + Zn+2 = Zn(OH)3- + 3 H+
+        -llnl_gamma 4
+        log_k -28.8369
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Zn++  =  Zn(OH)4-- +4.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -41.6052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)4-2
+
+4 H2O + Zn+2 = Zn(OH)4-2 + 4 H+
+        -llnl_gamma 4
+        log_k -41.6052
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl-  =  Zn(OH)Cl +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -7.5417
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)Cl
+
+Zn+2 + H2O + Cl- = Zn(OH)Cl + H+
+        -llnl_gamma 3
+        log_k -7.5417
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)2
-        -llnl_gamma           3.0    
-        log_k           +0.8800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)2
+
+2 Thiocyanate- + Zn+2 = Zn(Thiocyanate)2
+        -llnl_gamma 3
+        log_k 0.88
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 Thiocyanate- + 1.0000 Zn++  =  Zn(Thiocyanate)4--
-        -llnl_gamma           4.0    
-        log_k           +1.2479
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(Thiocyanate)4-2
+
+4 Thiocyanate- + Zn+2 = Zn(Thiocyanate)4-2
+        -llnl_gamma 4
+        log_k 1.2479
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 Br-  =  ZnBr+
-        -llnl_gamma           4.0    
-        log_k           -0.6365
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr+
+
+Zn+2 + Br- = ZnBr+
+        -llnl_gamma 4
+        log_k -0.6365
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 Br- + 1.0000 Zn++  =  ZnBr2
-        -llnl_gamma           3.0    
-        log_k           -1.0492
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr2
+
+2 Br- + Zn+2 = ZnBr2
+        -llnl_gamma 3
+        log_k -1.0492
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 Br- + 1.0000 Zn++  =  ZnBr3-
-        -llnl_gamma           4.0    
-        log_k           -1.8474
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnBr3-
+
+3 Br- + Zn+2 = ZnBr3-
+        -llnl_gamma 4
+        log_k -1.8474
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 HAcetate  =  ZnAcetate+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -3.1519
-	-delta_H	-9.87424	kJ/mol	# Calculated enthalpy of reaction	ZnAcetate+
+
+Zn+2 + HAcetate = ZnAcetate+ + H+
+        -llnl_gamma 4
+        log_k -3.1519
+	-delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+
 #	Enthalpy of formation:	-155.12 kcal/mol
-        -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005
+        -analytic -7.9367e+0 2.8564e-3 -1.4514e+3 2.501e+0 2.3343e+5
 #       -Range:  0-300
 
-1.0000 Zn++ + 1.0000 HCO3-  =  ZnCO3 +1.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -6.4288
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3
+Zn+2 + HCO3- = ZnCO3 + H+
+        -llnl_gamma 3
+        log_k -6.4288
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 Cl-  =  ZnCl+
-        -llnl_gamma           4.0    
-        log_k           +0.1986
-	-delta_H	43.317	kJ/mol	# Calculated enthalpy of reaction	ZnCl+
+
+Zn+2 + Cl- = ZnCl+
+        -llnl_gamma 4
+        log_k 0.1986
+	-delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+
 #	Enthalpy of formation:	-66.24 kcal/mol
-        -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001
+        -analytic 1.1235e+2 4.4461e-2 -4.1662e+3 -4.5023e+1 -6.5042e+1
 #       -Range:  0-300
 
-2.0000 Cl- + 1.0000 Zn++  =  ZnCl2
-        -llnl_gamma           3.0    
-        log_k           +0.2507
-	-delta_H	31.1541	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
+2 Cl- + Zn+2 = ZnCl2
+        -llnl_gamma 3
+        log_k 0.2507
+	-delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2
 #	Enthalpy of formation:	-109.08 kcal/mol
-        -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001
+        -analytic 1.7824e+2 7.5733e-2 -4.6251e+3 -7.477e+1 -7.2224e+1
 #       -Range:  0-300
 
-3.0000 Cl- + 1.0000 Zn++  =  ZnCl3-
-        -llnl_gamma           4.0    
-        log_k           -0.0198
-	-delta_H	22.5894	kJ/mol	# Calculated enthalpy of reaction	ZnCl3-
+3 Cl- + Zn+2 = ZnCl3-
+        -llnl_gamma 4
+        log_k -0.0198
+	-delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3-
 #	Enthalpy of formation:	-151.06 kcal/mol
-        -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001
+        -analytic 1.3889e+2 7.4712e-2 -2.1527e+3 -6.22e+1 -3.3633e+1
 #       -Range:  0-300
 
-4.0000 Cl- + 1.0000 Zn++  =  ZnCl4--
-        -llnl_gamma           4.0    
-        log_k           +0.8605
-	-delta_H	4.98733	kJ/mol	# Calculated enthalpy of reaction	ZnCl4-2
+4 Cl- + Zn+2 = ZnCl4-2
+        -llnl_gamma 4
+        log_k 0.8605
+	-delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2
 #	Enthalpy of formation:	-195.2 kcal/mol
-        -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000
+        -analytic 8.4294e+1 7.0021e-2 3.915e+2 -4.2664e+1 6.0834e+0
 #       -Range:  0-300
 
-1.0000 Zn++ + 1.0000 ClO4-  =  ZnClO4+
-        -llnl_gamma           4.0    
-        log_k           +1.2768
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnClO4+
+Zn+2 + ClO4- = ZnClO4+
+        -llnl_gamma 4
+        log_k 1.2768
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 F-  =  ZnF+
-        -llnl_gamma           4.0    
-        log_k           +1.1500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnF+
+
+Zn+2 + F- = ZnF+
+        -llnl_gamma 4
+        log_k 1.15
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+  =  ZnH2PO4+
-        -llnl_gamma           4.0    
-        log_k           +0.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnH2PO4+
+
+Zn+2 + HPO4-2 + H+ = ZnH2PO4+
+        -llnl_gamma 4
+        log_k 0.43
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 HCO3-  =  ZnHCO3+
-        -llnl_gamma           4.0    
-        log_k           +1.4200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHCO3+
+
+Zn+2 + HCO3- = ZnHCO3+
+        -llnl_gamma 4
+        log_k 1.42
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002
+        -analytic 5.1115e+2 1.2911e-1 -1.5292e+4 -2.0083e+2 -2.2721e+2
 #       -Range: 25-300
 
-1.0000 Zn++ + 1.0000 HPO4--  =  ZnHPO4
-        -llnl_gamma           3.0    
-        log_k           +3.2600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnHPO4
+Zn+2 + HPO4-2 = ZnHPO4
+        -llnl_gamma 3
+        log_k 3.26
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 I-  =  ZnI+
-        -llnl_gamma           4.0    
-        log_k           -3.0134
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI+
+
+Zn+2 + I- = ZnI+
+        -llnl_gamma 4
+        log_k -3.0134
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 I- + 1.0000 Zn++  =  ZnI2
-        -llnl_gamma           3.0    
-        log_k           -1.8437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI2
+
+2 I- + Zn+2 = ZnI2
+        -llnl_gamma 3
+        log_k -1.8437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 I- + 1.0000 Zn++  =  ZnI3-
-        -llnl_gamma           4.0    
-        log_k           -2.0054
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI3-
+
+3 I- + Zn+2 = ZnI3-
+        -llnl_gamma 4
+        log_k -2.0054
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 I- + 1.0000 Zn++  =  ZnI4--
-        -llnl_gamma           4.0    
-        log_k           -2.6052
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnI4-2
+
+4 I- + Zn+2 = ZnI4-2
+        -llnl_gamma 4
+        log_k -2.6052
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 N3-  =  ZnN3+
-        -llnl_gamma           4.0    
-        log_k           +0.4420
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnN3+
+
+Zn+2 + N3- = ZnN3+
+        -llnl_gamma 4
+        log_k 0.442
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 H2O  =  ZnOH+ +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -8.96
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnOH+
+
+Zn+2 + H2O = ZnOH+ + H+
+        -llnl_gamma 4
+        log_k -8.96
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+
 #	Enthalpy of formation:	-0 kcal/mol
-        -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001
+        -analytic -7.86e-1 -2.9499e-4 -2.8673e+3 6.1892e-1 -4.2576e+1
 #       -Range: 25-300
 
-1.0000 Zn++ + 1.0000 HPO4--  =  ZnPO4- +1.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -4.3018
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnPO4-
+Zn+2 + HPO4-2 = ZnPO4- + H+
+        -llnl_gamma 4
+        log_k -4.3018
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zn++ + 1.0000 SO4--  =  ZnSO4
-        -llnl_gamma           3.0    
-        log_k           +2.3062
-	-delta_H	15.277	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
+
+Zn+2 + SO4-2 = ZnSO4
+        -llnl_gamma 3
+        log_k 2.3062
+	-delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4
 #	Enthalpy of formation:	-1047.71 kJ/mol
-        -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001
+        -analytic 1.364e+2 5.1256e-2 -3.4422e+3 -5.5695e+1 -5.8501e+1
 #       -Range:  0-200
 
-1.0000 Zn++ + 1.0000 SeO4--  =  ZnSeO4
-        -llnl_gamma           3.0    
-        log_k           +2.1900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnSeO4
+Zn+2 + SeO4-2 = ZnSeO4
+        -llnl_gamma 3
+        log_k 2.19
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 H2O + 1.0000 Zr++++  =  Zr(OH)3+ +3.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -0.6693
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)3+
+
+3 H2O + Zr+4 = Zr(OH)3+ + 3 H+
+        -llnl_gamma 4
+        log_k -0.6693
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 1.0000 Zr++++  =  Zr(OH)4 +4.0000 H+
-        -llnl_gamma           3.0    
-        log_k           -1.4666
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)4
+
+4 H2O + Zr+4 = Zr(OH)4 + 4 H+
+        -llnl_gamma 3
+        log_k -1.4666
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 H2O + 1.0000 Zr++++  =  Zr(OH)5- +5.0000 H+
-        -llnl_gamma           4.0    
-        log_k           -15.9754
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(OH)5-
+
+5 H2O + Zr+4 = Zr(OH)5- + 5 H+
+        -llnl_gamma 4
+        log_k -15.9754
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)2
-        -llnl_gamma           3.0    
-        log_k           +6.2965
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)2
+
+2 SO4-2 + Zr+4 = Zr(SO4)2
+        -llnl_gamma 3
+        log_k 6.2965
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 SO4-- + 1.0000 Zr++++  =  Zr(SO4)3--
-        -llnl_gamma           4.0    
-        log_k           +7.3007
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(SO4)3-2
+
+3 SO4-2 + Zr+4 = Zr(SO4)3-2
+        -llnl_gamma 4
+        log_k 7.3007
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 H2O + 3.0000 Zr++++  =  Zr3(OH)4+8 +4.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -0.5803
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr3(OH)4+8
+
+4 H2O + 3 Zr+4 = Zr3(OH)4+8 + 4 H+
+        -llnl_gamma 6
+        log_k -0.5803
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8
 #	Enthalpy of formation:	-0 kcal/mol
- 
-8.0000 H2O + 4.0000 Zr++++  =  Zr4(OH)8+8 +8.0000 H+
-        -llnl_gamma           6.0    
-        log_k           -5.9606
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr4(OH)8+8
+
+8 H2O + 4 Zr+4 = Zr4(OH)8+8 + 8 H+
+        -llnl_gamma 6
+        log_k -5.9606
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 F-  =  ZrF+++
-        -llnl_gamma           5.0    
-        log_k           +8.5835
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF+3
+
+Zr+4 + F- = ZrF+3
+        -llnl_gamma 5
+        log_k 8.5835
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 F- + 1.0000 Zr++++  =  ZrF2++
-        -llnl_gamma           4.5    
-        log_k           +15.7377
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF2+2
+
+2 F- + Zr+4 = ZrF2+2
+        -llnl_gamma 4.5
+        log_k 15.7377
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-3.0000 F- + 1.0000 Zr++++  =  ZrF3+
-        -llnl_gamma           4.0    
-        log_k           +21.2792
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF3+
+
+3 F- + Zr+4 = ZrF3+
+        -llnl_gamma 4
+        log_k 21.2792
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+
 #	Enthalpy of formation:	-0 kcal/mol
- 
-4.0000 F- + 1.0000 Zr++++  =  ZrF4
-        -llnl_gamma           3.0    
-        log_k           +25.9411
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4
+
+4 F- + Zr+4 = ZrF4
+        -llnl_gamma 3
+        log_k 25.9411
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4
 #	Enthalpy of formation:	-0 kcal/mol
- 
-5.0000 F- + 1.0000 Zr++++  =  ZrF5-
-        -llnl_gamma           4.0    
-        log_k           +30.3098
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF5-
+
+5 F- + Zr+4 = ZrF5-
+        -llnl_gamma 4
+        log_k 30.3098
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5-
 #	Enthalpy of formation:	-0 kcal/mol
- 
-6.0000 F- + 1.0000 Zr++++  =  ZrF6--
-        -llnl_gamma           4.0    
-        log_k           +34.0188
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF6-2
+
+6 F- + Zr+4 = ZrF6-2
+        -llnl_gamma 4
+        log_k 34.0188
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 H2O  =  ZrOH+++ +1.0000 H+
-        -llnl_gamma           5.0    
-        log_k           +0.0457
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrOH+3
+
+Zr+4 + H2O = ZrOH+3 + H+
+        -llnl_gamma 5
+        log_k 0.0457
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3
 #	Enthalpy of formation:	-0 kcal/mol
- 
-1.0000 Zr++++ + 1.0000 SO4--  =  ZrSO4++
-        -llnl_gamma           4.5    
-        log_k           +3.6064
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrSO4+2
+
+Zr+4 + SO4-2 = ZrSO4+2
+        -llnl_gamma 4.5
+        log_k 3.6064
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2
 #	Enthalpy of formation:	-0 kcal/mol
- 
-2.0000 H+ + 1.0000 O_phthalate-2  =  H2O_phthalate
-        -llnl_gamma           3.0    
-        log_k           +8.3580
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	H2O_phthalate
+
+2 H+ + O_phthalate-2 = H2O_phthalate
+        -llnl_gamma 3
+        log_k 8.358
+	-delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate
 #	Enthalpy of formation:	-0 kcal/mol
- 
+
 PHASES
 
 #  1122 minerals
 (UO2)2As2O7
-       (UO2)2As2O7 +2.0000 H+ +1.0000 H2O  =  + 2.0000 H2AsO4- + 2.0000 UO2++
-        log_k           7.7066
-	-delta_H	-145.281	kJ/mol	# Calculated enthalpy of reaction	(UO2)2As2O7
+       (UO2)2As2O7 + 2 H+ + H2O = 2 H2AsO4- + 2 UO2+2
+        log_k 7.7066
+	-delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7
 #	Enthalpy of formation:	-3426 kJ/mol
-        -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002
+        -analytic -1.6147e+2 -6.3487e-2 1.0052e+4 6.2384e+1 1.5691e+2
 #       -Range:  0-300
 
 (UO2)2Cl3
-       (UO2)2Cl3  =  + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl-
-        log_k           12.7339
-	-delta_H	-140.866	kJ/mol	# Calculated enthalpy of reaction	(UO2)2Cl3
+       (UO2)2Cl3 = UO2+ + UO2+2 + 3 Cl-
+        log_k 12.7339
+	-delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3
 #	Enthalpy of formation:	-2404.5 kJ/mol
-        -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002
+        -analytic -2.3895e+2 -9.2925e-2 1.1722e+4 9.6999e+1 1.8298e+2
 #       -Range:  0-300
 
 (UO2)2P2O7
-       (UO2)2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -14.6827
-	-delta_H	-103.726	kJ/mol	# Calculated enthalpy of reaction	(UO2)2P2O7
+       (UO2)2P2O7 + H2O = 2 HPO4-2 + 2 UO2+2
+        log_k -14.6827
+	-delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7
 #	Enthalpy of formation:	-4232.6 kJ/mol
-        -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002
+        -analytic -3.4581e+2 -1.3987e-1 1.0703e+4 1.3613e+2 1.6712e+2
 #       -Range:  0-300
 
 (UO2)3(AsO4)2
-       (UO2)3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 UO2++
-        log_k           9.3177
-	-delta_H	-186.72	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(AsO4)2
+       (UO2)3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 UO2+2
+        log_k 9.3177
+	-delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2
 #	Enthalpy of formation:	-4689.4 kJ/mol
-        -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002
+        -analytic -1.9693e+2 -7.3236e-2 1.2936e+4 7.4631e+1 2.0192e+2
 #       -Range:  0-300
 
 (UO2)3(PO4)2
-       (UO2)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++
-        log_k           -14.0241
-	-delta_H	-149.864	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2
+       (UO2)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 UO2+2
+        log_k -14.0241
+	-delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2
 #	Enthalpy of formation:	-5491.3 kJ/mol
-        -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002
+        -analytic -3.6664e+2 -1.4347e-1 1.3486e+4 1.4148e+2 2.1054e+2
 #       -Range:  0-300
 
 (UO2)3(PO4)2:4H2O
-       (UO2)3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O
-        log_k           -27.0349
-	-delta_H	-45.4132	kJ/mol	# Calculated enthalpy of reaction	(UO2)3(PO4)2:4H2O
+       (UO2)3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 UO2+2 + 4 H2O
+        log_k -27.0349
+	-delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O
 #	Enthalpy of formation:	-6739.1 kJ/mol
-        -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001
+        -analytic -1.5721e+2 -4.1375e-2 5.2046e+3 5.0531e+1 8.8434e+1
 #       -Range:  0-200
 
 (VO)3(PO4)2
-       (VO)3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 VO++
-        log_k           48.7864
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	(VO)3(PO4)2
+       (VO)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 VO+2
+        log_k 48.7864
+	-delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Acanthite
-        Ag2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Ag+
-        log_k           -36.0346
-	-delta_H	226.982	kJ/mol	# Calculated enthalpy of reaction	Acanthite
+        Ag2S + H+ = HS- + 2 Ag+
+        log_k -36.0346
+	-delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite
 #	Enthalpy of formation:	-7.55 kcal/mol
-        -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002
+        -analytic -1.6067e+2 -4.7139e-2 -7.4522e+3 6.614e+1 -1.1624e+2
 #       -Range:  0-300
 
 Afwillite
-        Ca3Si2O4(OH)6 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O
-        log_k           60.0452
-	-delta_H	-316.059	kJ/mol	# Calculated enthalpy of reaction	Afwillite
+        Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
+        log_k 60.0452
+	-delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite
 #	Enthalpy of formation:	-1143.31 kcal/mol
-        -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005
+        -analytic 1.8353e+1 1.9014e-3 1.8478e+4 -6.6311e+0 -4.0227e+5
 #       -Range:  0-300
 
 Ag
-       Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+
-        log_k           7.9937
-	-delta_H	-34.1352	kJ/mol	# Calculated enthalpy of reaction	Ag
+       Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+
+        log_k 7.9937
+	-delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001
+        -analytic -1.4144e+1 -3.8466e-3 2.2642e+3 6.3388e+0 3.5334e+1
 #       -Range:  0-300
 
 Ag3PO4
-       Ag3PO4 +1.0000 H+  =  + 1.0000 HPO4-- + 3.0000 Ag+
-        log_k           -5.2282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ag3PO4
+       Ag3PO4 + H+ = HPO4-2 + 3 Ag+
+        log_k -5.2282
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4
 #	Enthalpy of formation:	0 kcal/mol
 
 Ahlfeldite
-        NiSeO3:2H2O  =  + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -4.4894
-	-delta_H	-25.7902	kJ/mol	# Calculated enthalpy of reaction	Ahlfeldite
+        NiSeO3:2H2O = Ni+2 + SeO3-2 + 2 H2O
+        log_k -4.4894
+	-delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite
 #	Enthalpy of formation:	-265.07 kcal/mol
-        -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001
+        -analytic -2.621e+1 -1.6952e-2 1.0405e+3 9.4054e+0 1.7678e+1
 #       -Range:  0-200
 
 Akermanite
-        Ca2MgSi2O7 +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
-        log_k           45.3190
-	-delta_H	-288.575	kJ/mol	# Calculated enthalpy of reaction	Akermanite
+        Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
+        log_k 45.319
+	-delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite
 #	Enthalpy of formation:	-926.497 kcal/mol
-        -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005
+        -analytic -4.8295e+1 -8.5613e-3 2.088e+4 1.3798e+1 -7.1975e+5
 #       -Range:  0-300
 
 Al
-       Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O
-        log_k           149.9292
-	-delta_H	-958.059	kJ/mol	# Calculated enthalpy of reaction	Al
+       Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
+        log_k 149.9292
+	-delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005
+        -analytic -1.8752e+2 -4.6187e-2 5.7127e+4 6.627e+1 -3.8952e+5
 #       -Range:  0-300
 
 Al2(SO4)3
-       Al2(SO4)3  =  + 2.0000 Al+++ + 3.0000 SO4--
-        log_k           19.0535
-	-delta_H	-364.566	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3
+       Al2(SO4)3 = 2 Al+3 + 3 SO4-2
+        log_k 19.0535
+	-delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3
 #	Enthalpy of formation:	-3441.04 kJ/mol
-        -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002
+        -analytic -6.1001e+2 -2.4268e-1 2.9194e+4 2.4383e+2 4.5573e+2
 #       -Range:  0-300
 
 Al2(SO4)3:6H2O
-       Al2(SO4)3:6H2O  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O
-        log_k           1.6849
-	-delta_H	-208.575	kJ/mol	# Calculated enthalpy of reaction	Al2(SO4)3:6H2O
+       Al2(SO4)3:6H2O = 2 Al+3 + 3 SO4-2 + 6 H2O
+        log_k 1.6849
+	-delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O
 #	Enthalpy of formation:	-5312.06 kJ/mol
-        -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002
+        -analytic -7.1642e+2 -2.4552e-1 2.6064e+4 2.8441e+2 4.0691e+2
 #       -Range:  0-300
 
 AlF3
-       AlF3  =  + 1.0000 Al+++ + 3.0000 F-
-        log_k           -17.2089
-	-delta_H	-34.0441	kJ/mol	# Calculated enthalpy of reaction	AlF3
+       AlF3 = Al+3 + 3 F-
+        log_k -17.2089
+	-delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3
 #	Enthalpy of formation:	-1510.4 kJ/mol
-        -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002
+        -analytic -3.9865e+2 -1.3388e-1 1.0211e+4 1.5642e+2 1.5945e+2
 #       -Range:  0-300
 
 Alabandite
-        MnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Mn++
-        log_k           -0.3944
-	-delta_H	-23.3216	kJ/mol	# Calculated enthalpy of reaction	Alabandite
+        MnS + H+ = HS- + Mn+2
+        log_k -0.3944
+	-delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite
 #	Enthalpy of formation:	-51 kcal/mol
-        -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001
+        -analytic -1.5515e+2 -4.882e-2 4.9049e+3 6.1765e+1 7.6583e+1
 #       -Range:  0-300
 
 Alamosite
-        PbSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2
-        log_k           5.6733
-	-delta_H	-16.5164	kJ/mol	# Calculated enthalpy of reaction	Alamosite
+        PbSiO3 + 2 H+ = H2O + Pb+2 + SiO2
+        log_k 5.6733
+	-delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite
 #	Enthalpy of formation:	-1146.1 kJ/mol
-        -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002
+        -analytic 2.9941e+2 6.7871e-2 -8.1706e+3 -1.1582e+2 -1.3885e+2
 #       -Range:  0-200
 
 Albite
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           2.7645
-	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite
+        NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+        log_k 2.7645
+	-delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite
 #	Enthalpy of formation:	-939.68 kcal/mol
-        -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006
+        -analytic -1.1694e+1 1.4429e-2 1.3784e+4 -7.2866e+0 -1.6136e+6
 #       -Range:  0-300
 
 Albite_high
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           4.0832
-	-delta_H	-62.8562	kJ/mol	# Calculated enthalpy of reaction	Albite_high
+        NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+        log_k 4.0832
+	-delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high
 #	Enthalpy of formation:	-937.05 kcal/mol
-        -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006
+        -analytic -1.8957e+1 1.3726e-2 1.4801e+4 -4.9732e+0 -1.6442e+6
 #       -Range:  0-300
 
 Albite_low
-        NaAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           2.7645
-	-delta_H	-51.8523	kJ/mol	# Calculated enthalpy of reaction	Albite_low
+        NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
+        log_k 2.7645
+	-delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low
 #	Enthalpy of formation:	-939.68 kcal/mol
-        -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006
+        -analytic -1.286e+1 1.4481e-2 1.3913e+4 -6.9417e+0 -1.6256e+6
 #       -Range:  0-300
 
 Alstonite
-        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
-        log_k           2.5843
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Alstonite
+        BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3-
+        log_k 2.5843
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite
 #	Enthalpy of formation:	0 kcal/mol
 
 Alum-K
-        KAl(SO4)2:12H2O  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O
-        log_k           -4.8818
-	-delta_H	14.4139	kJ/mol	# Calculated enthalpy of reaction	Alum-K
+        KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
+        log_k -4.8818
+	-delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K
 #	Enthalpy of formation:	-1447 kcal/mol
-        -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002
+        -analytic -8.8025e+2 -2.5706e-1 2.2399e+4 3.5434e+2 3.4978e+2
 #       -Range:  0-300
 
 Alunite
-        KAl3(OH)6(SO4)2 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           -0.3479
-	-delta_H	-231.856	kJ/mol	# Calculated enthalpy of reaction	Alunite
+        KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
+        log_k -0.3479
+	-delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite
 #	Enthalpy of formation:	-1235.6 kcal/mol
-        -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002
+        -analytic -6.8581e+2 -2.2455e-1 2.6886e+4 2.6758e+2 4.1973e+2
 #       -Range:  0-300
 
 Am
-       Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O
-        log_k           169.3900
-	-delta_H	-1036.36	kJ/mol	# Calculated enthalpy of reaction	Am
+       Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O
+        log_k 169.39
+	-delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000
+        -analytic -6.7924e+0 -8.9873e-3 5.3327e+4 0e+0 0e+0
 #       -Range:  0-300
 
 Am(OH)3
-       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
-        log_k           15.2218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3
+       Am(OH)3 + 3 H+ = Am+3 + 3 H2O
+        log_k 15.2218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Am(OH)3(am)
-       Am(OH)3 +3.0000 H+  =  + 1.0000 Am+++ + 3.0000 H2O
-        log_k           17.0217
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am(OH)3(am)
+       Am(OH)3 + 3 H+ = Am+3 + 3 H2O
+        log_k 17.0217
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Am2(CO3)3
-       Am2(CO3)3 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
-        log_k           -2.3699
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Am2(CO3)3
+       Am2(CO3)3 + 3 H+ = 2 Am+3 + 3 HCO3-
+        log_k -2.3699
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Am2C3
-       Am2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 Am+++ + 3.0000 HCO3-
-        log_k           503.9594
-	-delta_H	-3097.6	kJ/mol	# Calculated enthalpy of reaction	Am2C3
+       Am2C3 + 4.5 O2 + 3 H+ = 2 Am+3 + 3 HCO3-
+        log_k 503.9594
+	-delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3
 #	Enthalpy of formation:	-151 kJ/mol
-        -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003
+        -analytic 3.3907e+2 -4.2636e-3 1.4463e+5 -1.2891e+2 2.4559e+3
 #       -Range:  0-200
 
 Am2O3
-       Am2O3 +6.0000 H+  =  + 2.0000 Am+++ + 3.0000 H2O
-        log_k           51.7905
-	-delta_H	-400.515	kJ/mol	# Calculated enthalpy of reaction	Am2O3
+       Am2O3 + 6 H+ = 2 Am+3 + 3 H2O
+        log_k 51.7905
+	-delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3
 #	Enthalpy of formation:	-1690.4 kJ/mol
-        -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002
+        -analytic -9.2044e+1 -1.8883e-2 2.3028e+4 2.9192e+1 3.5935e+2
 #       -Range:  0-300
 
 AmBr3
-       AmBr3  =  + 1.0000 Am+++ + 3.0000 Br-
-        log_k           21.7826
-	-delta_H	-171.21	kJ/mol	# Calculated enthalpy of reaction	AmBr3
+       AmBr3 = Am+3 + 3 Br-
+        log_k 21.7826
+	-delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3
 #	Enthalpy of formation:	-810 kJ/mol
-        -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000
+        -analytic 1.0121e+1 -3.0622e-2 6.1964e+3 0e+0 0e+0
 #       -Range:  0-200
 
 AmCl3
-       AmCl3  =  + 1.0000 Am+++ + 3.0000 Cl-
-        log_k           14.3513
-	-delta_H	-140.139	kJ/mol	# Calculated enthalpy of reaction	AmCl3
+       AmCl3 = Am+3 + 3 Cl-
+        log_k 14.3513
+	-delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3
 #	Enthalpy of formation:	-977.8 kJ/mol
-        -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001
+        -analytic -1.5e+1 -3.6701e-2 5.2281e+3 9.1942e+0 8.8785e+1
 #       -Range:  0-200
 
 AmF3
-       AmF3  =  + 1.0000 Am+++ + 3.0000 F-
-        log_k           -13.1190
-	-delta_H	-34.7428	kJ/mol	# Calculated enthalpy of reaction	AmF3
+       AmF3 = Am+3 + 3 F-
+        log_k -13.119
+	-delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3
 #	Enthalpy of formation:	-1588 kJ/mol
-        -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000
+        -analytic -4.0514e+1 -3.7312e-2 4.1626e+2 1.4999e+1 7.0827e+0
 #       -Range:  0-200
 
 AmF4
-       AmF4  =  + 1.0000 Am++++ + 4.0000 F-
-        log_k           -25.1354
-	-delta_H	-37.3904	kJ/mol	# Calculated enthalpy of reaction	AmF4
+       AmF4 = Am+4 + 4 F-
+        log_k -25.1354
+	-delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4
 #	Enthalpy of formation:	-1710 kJ/mol
-        -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000
+        -analytic -4.9592e+1 -4.521e-2 -9.7251e+1 1.5457e+1 -1.6348e+0
 #       -Range:  0-200
 
 AmH2
-       AmH2 +2.0000 H+ +1.0000 O2  =  + 1.0000 Am++ + 2.0000 H2O
-        log_k           128.4208
-	-delta_H	-738.376	kJ/mol	# Calculated enthalpy of reaction	AmH2
+       AmH2 + 2 H+ + O2 = Am+2 + 2 H2O
+        log_k 128.4208
+	-delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2
 #	Enthalpy of formation:	-175.8 kJ/mol
-        -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002
+        -analytic 3.1175e+1 -1.4062e-2 3.6259e+4 -8.16e+0 5.6578e+2
 #       -Range:  0-300
 
 AmI3
-       AmI3  =  + 1.0000 Am+++ + 3.0000 I-
-        log_k           24.7301
-	-delta_H	-175.407	kJ/mol	# Calculated enthalpy of reaction	AmI3
+       AmI3 = Am+3 + 3 I-
+        log_k 24.7301
+	-delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3
 #	Enthalpy of formation:	-612 kJ/mol
-        -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002
+        -analytic -1.3886e+1 -3.6651e-2 7.2094e+3 1.0247e+1 1.2243e+2
 #       -Range:  0-200
 
 AmO2
-       AmO2 +4.0000 H+  =  + 1.0000 Am++++ + 2.0000 H2O
-        log_k           -9.4203
-	-delta_H	-45.4767	kJ/mol	# Calculated enthalpy of reaction	AmO2
+       AmO2 + 4 H+ = Am+4 + 2 H2O
+        log_k -9.4203
+	-delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2
 #	Enthalpy of formation:	-932.2 kJ/mol
-        -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001
+        -analytic -7.4658e+1 -1.1661e-2 4.2059e+3 2.207e+1 6.565e+1
 #       -Range:  0-300
 
 AmOBr
-       AmOBr +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O
-        log_k           13.7637
-	-delta_H	-131.042	kJ/mol	# Calculated enthalpy of reaction	AmOBr
+       AmOBr + 2 H+ = Am+3 + Br- + H2O
+        log_k 13.7637
+	-delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr
 #	Enthalpy of formation:	-893 kJ/mol
-        -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002
+        -analytic -4.4394e+1 -1.7071e-2 7.3438e+3 1.5605e+1 1.2472e+2
 #       -Range:  0-200
 
 AmOCl
-       AmOCl +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O
-        log_k           11.3229
-	-delta_H	-119.818	kJ/mol	# Calculated enthalpy of reaction	AmOCl
+       AmOCl + 2 H+ = Am+3 + Cl- + H2O
+        log_k 11.3229
+	-delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl
 #	Enthalpy of formation:	-949.8 kJ/mol
-        -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002
+        -analytic -1.2101e+2 -4.1027e-2 8.6801e+3 4.6651e+1 1.3548e+2
 #       -Range:  0-300
 
 AmOHCO3
-       AmOHCO3 +2.0000 H+  =  + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           3.1519
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmOHCO3
+       AmOHCO3 + 2 H+ = Am+3 + H2O + HCO3-
+        log_k 3.1519
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3
 #	Enthalpy of formation:	0 kcal/mol
 
 AmPO4(am)
-        AmPO4 +1.0000 H+  =  + 1.0000 Am+++ + 1.0000 HPO4--
-        log_k           -12.4682
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	AmPO4(am)
+        AmPO4 + H+ = Am+3 + HPO4-2
+        log_k -12.4682
+	-delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Amesite-14A
-        Mg4Al4Si2O10(OH)8 +20.0000 H+  =  + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O
-        log_k           75.4571
-	-delta_H	-797.098	kJ/mol	# Calculated enthalpy of reaction	Amesite-14A
+        Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
+        log_k 75.4571
+	-delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A
 #	Enthalpy of formation:	-2145.67 kcal/mol
-        -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002
+        -analytic -5.4326e+2 -1.4144e-1 5.415e+4 1.9361e+2 8.4512e+2
 #       -Range:  0-300
 
 Analcime
-        Na.96Al.96Si2.04O6:H2O +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O
-        log_k           6.1396
-	-delta_H	-75.844	kJ/mol	# Calculated enthalpy of reaction	Analcime
+        Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
+        log_k 6.1396
+	-delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime
 #	Enthalpy of formation:	-3296.86 kJ/mol
-        -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005
+        -analytic -6.8694e+0 6.6052e-3 9.826e+3 -4.854e+0 -8.878e+5
 #       -Range:  0-300
 
 Analcime-dehy
-        Na.96Al.96Si2.04O6 +3.8400 H+  =  + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2
-        log_k           12.5023
-	-delta_H	-116.641	kJ/mol	# Calculated enthalpy of reaction	Analcime-dehy
+        Na.96Al.96Si2.04O6 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2
+        log_k 12.5023
+	-delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy
 #	Enthalpy of formation:	-2970.23 kJ/mol
-        -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005
+        -analytic -7.1134e+0 5.6181e-3 1.2185e+4 -5.0295e+0 -9.389e+5
 #       -Range:  0-300
 
 Anatase
-        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
-        log_k           -8.5586
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Anatase
+        TiO2 + 2 H2O = Ti(OH)4
+        log_k -8.5586
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Anatase
 #	Enthalpy of formation:	-939.942 kJ/mol
 
 Andalusite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           15.9445
-	-delta_H	-235.233	kJ/mol	# Calculated enthalpy of reaction	Andalusite
+        Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+        log_k 15.9445
+	-delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite
 #	Enthalpy of formation:	-615.866 kcal/mol
-        -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002
+        -analytic -7.1115e+1 -3.2234e-2 1.2308e+4 2.2357e+1 1.9208e+2
 #       -Range:  0-300
 
 Andradite
-        Ca3Fe2(SiO4)3 +12.0000 H+  =  + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           33.3352
-	-delta_H	-301.173	kJ/mol	# Calculated enthalpy of reaction	Andradite
+        Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+        log_k 33.3352
+	-delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite
 #	Enthalpy of formation:	-1380.35 kcal/mol
-        -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005
+        -analytic 1.3884e+1 -2.3886e-2 1.5314e+4 -8.1606e+0 -4.2193e+5
 #       -Range:  0-300
 
 Anglesite
-        PbSO4  =  + 1.0000 Pb++ + 1.0000 SO4--
-        log_k           -7.8527
-	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
+        PbSO4 = Pb+2 + SO4-2
+        log_k -7.8527
+	-delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite
 #	Enthalpy of formation:	-219.87 kcal/mol
-        -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
+        -analytic -1.8583e+2 -7.3849e-2 2.8528e+3 7.6936e+1 4.457e+1
 #       -Range:  0-300
 
 Anhydrite
-        CaSO4  =  + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -4.3064
-	-delta_H	-18.577	kJ/mol	# Calculated enthalpy of reaction	Anhydrite
+        CaSO4 = Ca+2 + SO4-2
+        log_k -4.3064
+	-delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite
 #	Enthalpy of formation:	-342.76 kcal/mol
-        -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001
+        -analytic -2.0986e+2 -7.8823e-2 5.0969e+3 8.5642e+1 7.9594e+1
 #       -Range:  0-300
 
 Annite
-        KFe3AlSi3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           29.4693
-	-delta_H	-259.964	kJ/mol	# Calculated enthalpy of reaction	Annite
+        KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
+        log_k 29.4693
+	-delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite
 #	Enthalpy of formation:	-1232.19 kcal/mol
-        -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005
+        -analytic -4.0186e+1 -1.4238e-2 1.8929e+4 7.9859e+0 -8.4343e+5
 #       -Range:  0-300
 
 Anorthite
-        CaAl2(SiO4)2 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O
-        log_k           26.5780
-	-delta_H	-303.039	kJ/mol	# Calculated enthalpy of reaction	Anorthite
+        CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
+        log_k 26.578
+	-delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite
 #	Enthalpy of formation:	-1007.55 kcal/mol
-        -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005
+        -analytic 3.9717e-1 -1.8751e-2 1.4897e+4 -6.3078e+0 -2.3885e+5
 #       -Range:  0-300
 
 Antarcticite
-        CaCl2:6H2O  =  + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           4.0933
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antarcticite
+        CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O
+        log_k 4.0933
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite
 #	Enthalpy of formation:	0 kcal/mol
 
 Anthophyllite
-        Mg7Si8O22(OH)2 +14.0000 H+  =  + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
-        log_k           66.7965
-	-delta_H	-483.486	kJ/mol	# Calculated enthalpy of reaction	Anthophyllite
+        Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
+        log_k 66.7965
+	-delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite
 #	Enthalpy of formation:	-2888.75 kcal/mol
-        -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006
+        -analytic -1.2865e+2 1.9705e-2 5.4853e+4 1.9444e+1 -3.808e+6
 #       -Range:  0-300
 
 Antigorite
 #        Mg48Si24O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
-        Mg48Si34O85(OH)62 +96.0000 H+  =  + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O 
-        log_k           477.1943
-	-delta_H	-3364.43	kJ/mol	# Calculated enthalpy of reaction	Antigorite
+        Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O
+        log_k 477.1943
+	-delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite
 #	Enthalpy of formation:	-17070.9 kcal/mol
-        -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006
+        -analytic -8.163e+2 -6.778e-2 2.5998e+5 2.2029e+2 -9.3275e+6
 #       -Range:  0-300
 
 Antlerite
-        Cu3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O
-        log_k           8.7302
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Antlerite
+        Cu3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cu+2 + 4 H2O
+        log_k 8.7302
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite
 #	Enthalpy of formation:	0 kcal/mol
 
 Aphthitalite
-        NaK3(SO4)2  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+
-        log_k           -3.8878
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Aphthitalite
+        NaK3(SO4)2 = Na+ + 2 SO4-2 + 3 K+
+        log_k -3.8878
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite
 #	Enthalpy of formation:	0 kcal/mol
 
 Aragonite
-        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
-        log_k           1.9931
-	-delta_H	-25.8027	kJ/mol	# Calculated enthalpy of reaction	Aragonite
+        CaCO3 + H+ = Ca+2 + HCO3-
+        log_k 1.9931
+	-delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite
 #	Enthalpy of formation:	-288.531 kcal/mol
-        -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001
+        -analytic -1.4934e+2 -4.8043e-2 4.9089e+3 6.0284e+1 7.6644e+1
 #       -Range:  0-300
 
 Arcanite
-        K2SO4  =  + 1.0000 SO4-- + 2.0000 K+
-        log_k           -1.8008
-	-delta_H	23.836	kJ/mol	# Calculated enthalpy of reaction	Arcanite
+        K2SO4 = SO4-2 + 2 K+
+        log_k -1.8008
+	-delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite
 #	Enthalpy of formation:	-1437.78 kJ/mol
-        -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001
+        -analytic -1.6428e+2 -6.7762e-2 1.9879e+3 7.1116e+1 3.1067e+1
 #       -Range:  0-300
 
 Arsenolite
-        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
-        log_k           -19.8365
-	-delta_H	84.5449	kJ/mol	# Calculated enthalpy of reaction	Arsenolite
+        As2O3 + 3 H2O = 2 H+ + 2 H2AsO3-
+        log_k -19.8365
+	-delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite
 #	Enthalpy of formation:	-656.619 kJ/mol
-        -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002
+        -analytic 5.1917e+0 -1.9397e-2 -6.0894e+3 4.7458e-1 -1.0341e+2
 #       -Range:  0-200
 
 Arsenopyrite
-        FeAsS +1.5000 H2O +0.5000 H+  =  + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -14.4453
-	-delta_H	28.0187	kJ/mol	# Calculated enthalpy of reaction	Arsenopyrite
+        FeAsS + 1.5 H2O + 0.5 H+ = 0.5 AsH3 + 0.5 H2AsO3- + Fe+2 + HS-
+        log_k -14.4453
+	-delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite
 #	Enthalpy of formation:	-42.079 kJ/mol
 
 Artinite
-        Mg2CO3(OH)2:3H2O +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O
-        log_k           19.6560
-	-delta_H	-130.432	kJ/mol	# Calculated enthalpy of reaction	Artinite
+        Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
+        log_k 19.656
+	-delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite
 #	Enthalpy of formation:	-698.043 kcal/mol
-        -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002
+        -analytic -2.8614e+2 -6.7344e-2 1.523e+4 1.1104e+2 2.3773e+2
 #       -Range:  0-300
 
 As
-       As +1.5000 H2O +0.7500 O2  =  + 1.0000 H+ + 1.0000 H2AsO3-
-        log_k           42.7079
-	-delta_H	-276.937	kJ/mol	# Calculated enthalpy of reaction	As
+       As + 1.5 H2O + 0.75 O2 = H+ + H2AsO3-
+        log_k 42.7079
+	-delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002
+        -analytic -3.47e+1 -3.1772e-2 1.3788e+4 1.6411e+1 2.1517e+2
 #       -Range:  0-300
 
 As2O5
-       As2O5 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO4-
-        log_k           2.1601
-	-delta_H	-36.7345	kJ/mol	# Calculated enthalpy of reaction	As2O5
+       As2O5 + 3 H2O = 2 H+ + 2 H2AsO4-
+        log_k 2.1601
+	-delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5
 #	Enthalpy of formation:	-924.87 kJ/mol
-        -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001
+        -analytic -1.4215e+2 -6.3459e-2 4.1222e+3 6.0369e+1 6.4365e+1
 #       -Range:  0-300
 
 As4O6(cubi)
-       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
-        log_k           -39.7636
-	-delta_H	169.792	kJ/mol	# Calculated enthalpy of reaction	As4O6(cubi)
+       As4O6 + 6 H2O = 4 H+ + 4 H2AsO3-
+        log_k -39.7636
+	-delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi)
 #	Enthalpy of formation:	-1313.94 kJ/mol
-        -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001
+        -analytic -2.63e+2 -1.1822e-1 -4.9004e+3 1.1108e+2 -7.6389e+1
 #       -Range:  0-300
 
 As4O6(mono)
-       As4O6 +6.0000 H2O  =  + 4.0000 H+ + 4.0000 H2AsO3-
-        log_k           -40.0375
-	-delta_H	165.452	kJ/mol	# Calculated enthalpy of reaction	As4O6(mono)
+       As4O6 + 6 H2O = 4 H+ + 4 H2AsO3-
+        log_k -40.0375
+	-delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono)
 #	Enthalpy of formation:	-1309.6 kJ/mol
-        -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002
+        -analytic 9.2518e+0 -3.8823e-2 -1.1985e+4 9.9966e-1 -2.0352e+2
 #       -Range:  0-200
 
 Atacamite
-        Cu4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O
-        log_k           14.2836
-	-delta_H	-132.001	kJ/mol	# Calculated enthalpy of reaction	Atacamite
+        Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
+        log_k 14.2836
+	-delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite
 #	Enthalpy of formation:	-1654.43 kJ/mol
-        -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002
+        -analytic -2.6623e+2 -4.8121e-2 1.5315e+4 9.8395e+1 2.6016e+2
 #       -Range:  0-200
 
 Au
-       Au +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Au+
-        log_k           -7.0864
-	-delta_H	59.189	kJ/mol	# Calculated enthalpy of reaction	Au
+       Au + H+ + 0.25 O2 = 0.5 H2O + Au+
+        log_k -7.0864
+	-delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001
+        -analytic -7.661e-1 -2.852e-3 -3.0861e+3 1.9705e+0 -4.8156e+1
 #       -Range:  0-300
 
 Autunite-H
-        H2(UO2)2(PO4)2  =  + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -25.3372
-	-delta_H	-31.8599	kJ/mol	# Calculated enthalpy of reaction	Autunite-H
+        H2(UO2)2(PO4)2 = 2 HPO4-2 + 2 UO2+2
+        log_k -25.3372
+	-delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H
 #	Enthalpy of formation:	-4590.3 kJ/mol
-        -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001
+        -analytic -3.2179e+1 -3.8038e-2 -6.8629e+2 8.2724e+0 -1.1644e+1
 #       -Range:  0-200
 
 Azurite
-        Cu3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++
-        log_k           9.1607
-	-delta_H	-122.298	kJ/mol	# Calculated enthalpy of reaction	Azurite
+        Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
+        log_k 9.1607
+	-delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite
 #	Enthalpy of formation:	-390.1 kcal/mol
-        -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002
+        -analytic -4.4042e+2 -1.1934e-1 1.8053e+4 1.7158e+2 2.8182e+2
 #       -Range:  0-300
 
 B
-       B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3
-        log_k           109.5654
-	-delta_H	-636.677	kJ/mol	# Calculated enthalpy of reaction	B
+       B + 1.5 H2O + 0.75 O2 = B(OH)3
+        log_k 109.5654
+	-delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002
+        -analytic 8.0471e+1 1.2577e-3 2.9653e+4 -2.8593e+1 4.6268e+2
 #       -Range:  0-300
 
 B2O3
-       B2O3 +3.0000 H2O  =  + 2.0000 B(OH)3
-        log_k           5.5464
-	-delta_H	-18.0548	kJ/mol	# Calculated enthalpy of reaction	B2O3
+       B2O3 + 3 H2O = 2 B(OH)3
+        log_k 5.5464
+	-delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3
 #	Enthalpy of formation:	-1273.5 kJ/mol
-        -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001
+        -analytic 9.0905e+1 5.5365e-3 -2.6629e+3 -3.1553e+1 -4.1578e+1
 #       -Range:  0-300
 
 Ba
-       Ba +2.0000 H+ +0.5000 O2  =  + 1.0000 Ba++ + 1.0000 H2O
-        log_k           141.2465
-	-delta_H	-817.416	kJ/mol	# Calculated enthalpy of reaction	Ba
+       Ba + 2 H+ + 0.5 O2 = Ba+2 + H2O
+        log_k 141.2465
+	-delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002
+        -analytic -2.5033e+1 -1.3917e-2 4.2849e+4 1.0786e+1 6.6863e+2
 #       -Range:  0-300
 
 Ba(OH)2:8H2O
-       Ba(OH)2:8H2O +2.0000 H+  =  + 1.0000 Ba++ + 10.0000 H2O
-        log_k           24.4911
-	-delta_H	-55.4363	kJ/mol	# Calculated enthalpy of reaction	Ba(OH)2:8H2O
+       Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O
+        log_k 24.4911
+	-delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O
 #	Enthalpy of formation:	-3340.59 kJ/mol
-        -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002
+        -analytic -2.3888e+2 -1.5791e-3 1.4097e+4 8.7518e+1 2.3947e+2
 #       -Range:  0-200
 
 Ba2Si3O8
-       Ba2Si3O8 +4.0000 H+  =  + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2
-        log_k           23.3284
-	-delta_H	-95.3325	kJ/mol	# Calculated enthalpy of reaction	Ba2Si3O8
+       Ba2Si3O8 + 4 H+ = 2 Ba+2 + 2 H2O + 3 SiO2
+        log_k 23.3284
+	-delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8
 #	Enthalpy of formation:	-4184.73 kJ/mol
-        -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006
+        -analytic -8.7226e+1 9.3125e-3 2.3147e+4 2.2012e+1 -2.1714e+6
 #       -Range:  0-300
 
 Ba2SiO4
-       Ba2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O
-        log_k           44.5930
-	-delta_H	-237.206	kJ/mol	# Calculated enthalpy of reaction	Ba2SiO4
+       Ba2SiO4 + 4 H+ = SiO2 + 2 Ba+2 + 2 H2O
+        log_k 44.593
+	-delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4
 #	Enthalpy of formation:	-2287.46 kJ/mol
-        -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005
+        -analytic -7.035e+0 -5.1744e-3 1.4786e+4 3.1091e+0 -3.6972e+5
 #       -Range:  0-300
 
 Ba2U2O7
-       Ba2U2O7 +6.0000 H+  =  + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O
-        log_k           36.4635
-	-delta_H	-243.057	kJ/mol	# Calculated enthalpy of reaction	Ba2U2O7
+       Ba2U2O7 + 6 H+ = 2 Ba+2 + 2 UO2+ + 3 H2O
+        log_k 36.4635
+	-delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7
 #	Enthalpy of formation:	-3740 kJ/mol
-        -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002
+        -analytic -9.2562e+1 5.3866e-3 1.6852e+4 2.8647e+1 2.8621e+2
 #       -Range:  0-200
 
 Ba3UO6
-       Ba3UO6 +8.0000 H+  =  + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O
-        log_k           94.3709
-	-delta_H	-564.885	kJ/mol	# Calculated enthalpy of reaction	Ba3UO6
+       Ba3UO6 + 8 H+ = UO2+2 + 3 Ba+2 + 4 H2O
+        log_k 94.3709
+	-delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6
 #	Enthalpy of formation:	-3210.4 kJ/mol
-        -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002
+        -analytic -1.3001e+2 -1.7395e-2 3.3977e+4 4.6715e+1 5.7703e+2
 #       -Range:  0-200
 
 BaBr2
-       BaBr2  =  + 1.0000 Ba++ + 2.0000 Br-
-        log_k           5.6226
-	-delta_H	-23.3887	kJ/mol	# Calculated enthalpy of reaction	BaBr2
+       BaBr2 = Ba+2 + 2 Br-
+        log_k 5.6226
+	-delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2
 #	Enthalpy of formation:	-757.262 kJ/mol
-        -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001
+        -analytic -1.7689e+2 -7.1918e-2 4.7187e+3 7.601e+1 7.3683e+1
 #       -Range:  0-300
 
 BaBr2:2H2O
-       BaBr2:2H2O  =  + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O
-        log_k           2.2523
-	-delta_H	13.7736	kJ/mol	# Calculated enthalpy of reaction	BaBr2:2H2O
+       BaBr2:2H2O = Ba+2 + 2 Br- + 2 H2O
+        log_k 2.2523
+	-delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O
 #	Enthalpy of formation:	-1366.1 kJ/mol
-        -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001
+        -analytic -1.5506e+1 -1.6281e-2 -8.5727e+2 1.0296e+1 -1.4552e+1
 #       -Range:  0-200
 
 BaCl2
-       BaCl2  =  + 1.0000 Ba++ + 2.0000 Cl-
-        log_k           2.2707
-	-delta_H	-13.1563	kJ/mol	# Calculated enthalpy of reaction	BaCl2
+       BaCl2 = Ba+2 + 2 Cl-
+        log_k 2.2707
+	-delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2
 #	Enthalpy of formation:	-858.647 kJ/mol
-        -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001
+        -analytic -2.0393e+2 -7.8925e-2 4.8846e+3 8.6204e+1 7.628e+1
 #       -Range:  0-300
 
 BaCl2:2H2O
-       BaCl2:2H2O  =  + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           0.2459
-	-delta_H	16.558	kJ/mol	# Calculated enthalpy of reaction	BaCl2:2H2O
+       BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O
+        log_k 0.2459
+	-delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O
 #	Enthalpy of formation:	-1460.04 kJ/mol
-        -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001
+        -analytic -2.035e+2 -7.3577e-2 3.7914e+3 8.6051e+1 5.9221e+1
 #       -Range:  0-300
 
 BaCl2:H2O
-       BaCl2:H2O  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl-
-        log_k           0.8606
-	-delta_H	2.89433	kJ/mol	# Calculated enthalpy of reaction	BaCl2:H2O
+       BaCl2:H2O = Ba+2 + H2O + 2 Cl-
+        log_k 0.8606
+	-delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O
 #	Enthalpy of formation:	-1160.54 kJ/mol
-        -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001
+        -analytic -1.9572e+2 -7.3938e-2 4.0553e+3 8.2842e+1 6.3336e+1
 #       -Range:  0-300
 
 BaCrO4
-       BaCrO4  =  + 1.0000 Ba++ + 1.0000 CrO4--
-        log_k           -9.9322
-	-delta_H	25.9115	kJ/mol	# Calculated enthalpy of reaction	BaCrO4
+       BaCrO4 = Ba+2 + CrO4-2
+        log_k -9.9322
+	-delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4
 #	Enthalpy of formation:	-345.293 kcal/mol
-        -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001
+        -analytic 2.3142e+1 -1.6617e-2 -3.6883e+3 -6.3687e+0 -6.264e+1
 #       -Range:  0-200
 
 BaHPO4
-       BaHPO4  =  + 1.0000 Ba++ + 1.0000 HPO4--
-        log_k           -7.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaHPO4
+       BaHPO4 = Ba+2 + HPO4-2
+        log_k -7.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4
 #	Enthalpy of formation:	0 kcal/mol
 
 BaI2
-       BaI2  =  + 1.0000 Ba++ + 2.0000 I-
-        log_k           11.0759
-	-delta_H	-46.0408	kJ/mol	# Calculated enthalpy of reaction	BaI2
+       BaI2 = Ba+2 + 2 I-
+        log_k 11.0759
+	-delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2
 #	Enthalpy of formation:	-605.408 kJ/mol
-        -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001
+        -analytic -1.7511e+2 -7.2206e-2 5.8696e+3 7.5974e+1 9.1641e+1
 #       -Range:  0-300
 
 BaMnO4
-       BaMnO4  =  + 1.0000 Ba++ + 1.0000 MnO4--
-        log_k           -10.0900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaMnO4
+       BaMnO4 = Ba+2 + MnO4-2
+        log_k -10.09
+	-delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4
 #	Enthalpy of formation:	0 kcal/mol
 
 BaO
-       BaO +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O
-        log_k           47.8036
-	-delta_H	-270.184	kJ/mol	# Calculated enthalpy of reaction	BaO
+       BaO + 2 H+ = Ba+2 + H2O
+        log_k 47.8036
+	-delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO
 #	Enthalpy of formation:	-553.298 kJ/mol
-        -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004
+        -analytic -7.3273e+1 -1.7149e-2 1.6811e+4 2.856e+1 -7.751e+4
 #       -Range:  0-300
 
 BaS
-       BaS +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HS-
-        log_k           16.2606
-	-delta_H	-92.9004	kJ/mol	# Calculated enthalpy of reaction	BaS
+       BaS + H+ = Ba+2 + HS-
+        log_k 16.2606
+	-delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS
 #	Enthalpy of formation:	-460.852 kJ/mol
-        -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002
+        -analytic -1.1819e+2 -4.342e-2 7.4296e+3 4.9489e+1 1.1597e+2
 #       -Range:  0-300
 
 BaSeO3
-       BaSeO3  =  + 1.0000 Ba++ + 1.0000 SeO3--
-        log_k           -6.5615
-	-delta_H	-5.5658	kJ/mol	# Calculated enthalpy of reaction	BaSeO3
+       BaSeO3 = Ba+2 + SeO3-2
+        log_k -6.5615
+	-delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3
 #	Enthalpy of formation:	-1041.27 kJ/mol
-        -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001
+        -analytic 2.9742e+1 -1.7073e-2 -2.4532e+3 -9.2936e+0 -4.1669e+1
 #       -Range:  0-200
 
 BaSeO4
-       BaSeO4  =  + 1.0000 Ba++ + 1.0000 SeO4--
-        log_k           -7.4468
-	-delta_H	8.9782	kJ/mol	# Calculated enthalpy of reaction	BaSeO4
+       BaSeO4 = Ba+2 + SeO4-2
+        log_k -7.4468
+	-delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4
 #	Enthalpy of formation:	-1145.77 kJ/mol
-        -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001
+        -analytic 2.4274e+1 -1.6289e-2 -2.852e+3 -6.9949e+0 -4.8439e+1
 #       -Range:  0-200
 
 BaSiF6
-       BaSiF6 +2.0000 H2O  =  + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F-
-        log_k           -32.1771
-	-delta_H	95.2555	kJ/mol	# Calculated enthalpy of reaction	BaSiF6
+       BaSiF6 + 2 H2O = Ba+2 + SiO2 + 4 H+ + 6 F-
+        log_k -32.1771
+	-delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6
 #	Enthalpy of formation:	-2951.01 kJ/mol
-        -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006
+        -analytic -6.4766e+0 -3.841e-2 0e+0 0e+0 -1.2701e+6
 #       -Range:  0-200
 
 BaU2O7
-       BaU2O7 +6.0000 H+  =  + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           21.9576
-	-delta_H	-195.959	kJ/mol	# Calculated enthalpy of reaction	BaU2O7
+       BaU2O7 + 6 H+ = Ba+2 + 2 UO2+2 + 3 H2O
+        log_k 21.9576
+	-delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7
 #	Enthalpy of formation:	-3237.2 kJ/mol
-        -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002
+        -analytic -1.2254e+2 -1.0941e-2 1.4452e+4 4.0125e+1 2.4546e+2
 #       -Range:  0-200
 
 BaUO4
-       BaUO4 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           18.2007
-	-delta_H	-134.521	kJ/mol	# Calculated enthalpy of reaction	BaUO4
+       BaUO4 + 4 H+ = Ba+2 + UO2+2 + 2 H2O
+        log_k 18.2007
+	-delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4
 #	Enthalpy of formation:	-1993.8 kJ/mol
-        -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002
+        -analytic -6.7113e+1 -1.634e-2 8.7592e+3 2.4571e+1 1.367e+2
 #       -Range:  0-300
 
 BaZrO3
-       BaZrO3 +4.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++
-        log_k           -94.4716
-	-delta_H	505.159	kJ/mol	# Calculated enthalpy of reaction	BaZrO3
+       BaZrO3 + 4 H+ = Ba+2 + H2O + Zr(OH)2+2
+        log_k -94.4716
+	-delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3
 #	Enthalpy of formation:	-578.27 kcal/mol
-        -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002
+        -analytic -5.3606e+1 -1.0096e-2 -2.4894e+4 1.8446e+1 -4.2271e+2
 #       -Range:  0-200
 
 Baddeleyite
-        ZrO2 +2.0000 H+  =  + 1.0000 Zr(OH)2++
-        log_k           -7.9405
-	-delta_H	9.72007	kJ/mol	# Calculated enthalpy of reaction	Baddeleyite
+        ZrO2 + 2 H+ = Zr(OH)2+2
+        log_k -7.9405
+	-delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite
 #	Enthalpy of formation:	-1100.56 kJ/mol
-        -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001
+        -analytic -2.5188e-1 -4.6374e-3 -1.0635e+3 -1.1055e+0 -1.6595e+1
 #       -Range:  0-300
 
 Barite
-        BaSO4  =  + 1.0000 Ba++ + 1.0000 SO4--
-        log_k           -9.9711
-	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
+        BaSO4 = Ba+2 + SO4-2
+        log_k -9.9711
+	-delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite
 #	Enthalpy of formation:	-352.1 kcal/mol
-        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
+        -analytic -1.8747e+2 -7.5521e-2 2.079e+3 7.7998e+1 3.2497e+1
 #       -Range:  0-300
 
 Barytocalcite
-        BaCa(CO3)2 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
-        log_k           2.7420
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Barytocalcite
+        BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3-
+        log_k 2.742
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite
 #	Enthalpy of formation:	0 kcal/mol
 
 Bassanite
-        CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -3.6615
-	-delta_H	-18.711	kJ/mol	# Calculated enthalpy of reaction	Bassanite
+        CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
+        log_k -3.6615
+	-delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite
 #	Enthalpy of formation:	-1576.89 kJ/mol
-        -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001
+        -analytic -2.201e+2 -8.023e-2 5.5092e+3 8.9651e+1 8.6031e+1
 #       -Range:  0-300
 
 Bassetite
-        Fe(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -17.7240
-	-delta_H	-114.841	kJ/mol	# Calculated enthalpy of reaction	Bassetite
+        Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
+        log_k -17.724
+	-delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite
 #	Enthalpy of formation:	-1099.33 kcal/mol
-        -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001
+        -analytic -5.7788e+1 -4.54e-2 4.0119e+3 1.6216e+1 6.8147e+1
 #       -Range:  0-200
 
 Be
-       Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O
-        log_k           104.2077
-	-delta_H	-662.608	kJ/mol	# Calculated enthalpy of reaction	Be
+       Be + 2 H+ + 0.5 O2 = Be+2 + H2O
+        log_k 104.2077
+	-delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002
+        -analytic -9.396e+1 -2.4749e-2 3.6714e+4 3.3295e+1 5.7291e+2
 #       -Range:  0-300
 
 Be13U
-       Be13U +30.0000 H+ +7.5000 O2  =  + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O
-        log_k           1504.5350
-	-delta_H	-9601.04	kJ/mol	# Calculated enthalpy of reaction	Be13U
+       Be13U + 30 H+ + 7.5 O2 = U+4 + 13 Be+2 + 15 H2O
+        log_k 1504.535
+	-delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U
 #	Enthalpy of formation:	-163.6 kJ/mol
-        -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003
+        -analytic -1.2388e+3 -3.2848e-1 5.2816e+5 4.3222e+2 8.2419e+3
 #       -Range:  0-300
 
 Beidellite-Ca
-        Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.5914
-	-delta_H	-162.403	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Ca
+        Ca.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 5.5914
+	-delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca
 #	Enthalpy of formation:	-1370.66 kcal/mol
-        -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006
+        -analytic 2.3887e+1 4.4178e-3 1.5296e+4 -2.2343e+1 -1.4025e+6
 #       -Range:  0-300
 
 Beidellite-Cs
-        Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+  =  + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.1541
-	-delta_H	-149.851	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Cs
+        Cs.33Si3.67Al2.33O10(OH)2 + 7.32 H+ = 0.33 Cs+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 5.1541
+	-delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs
 #	Enthalpy of formation:	-1372.59 kcal/mol
-        -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006
+        -analytic 2.1244e+1 2.1705e-3 1.4504e+4 -2.025e+1 -1.3712e+6
 #       -Range:  0-300
 
 Beidellite-H
-        H.33Al2.33Si3.67O10(OH)2 +6.9900 H+  =  + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           4.6335
-	-delta_H	-154.65	kJ/mol	# Calculated enthalpy of reaction	Beidellite-H
+        H.33Al2.33Si3.67O10(OH)2 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 4.6335
+	-delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H
 #	Enthalpy of formation:	-1351.1 kcal/mol
-        -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006
+        -analytic 5.407e+0 3.4064e-3 1.6284e+4 -1.6028e+1 -1.5014e+6
 #       -Range:  0-300
 
 Beidellite-K
-        K.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.3088
-	-delta_H	-150.834	kJ/mol	# Calculated enthalpy of reaction	Beidellite-K
+        K.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 5.3088
+	-delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K
 #	Enthalpy of formation:	-1371.9 kcal/mol
-        -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006
+        -analytic 1.0792e+1 3.4419e-3 1.576e+4 -1.7333e+1 -1.4779e+6
 #       -Range:  0-300
 
 Beidellite-Mg
-        Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.5537
-	-delta_H	-165.455	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Mg
+        Mg.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 5.5537
+	-delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg
 #	Enthalpy of formation:	-1366.89 kcal/mol
-        -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006
+        -analytic 1.3375e+1 3.042e-3 1.5947e+4 -1.8728e+1 -1.4242e+6
 #       -Range:  0-300
 
 Beidellite-Na
-        Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           5.6473
-	-delta_H	-155.846	kJ/mol	# Calculated enthalpy of reaction	Beidellite-Na
+        Na.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
+        log_k 5.6473
+	-delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na
 #	Enthalpy of formation:	-1369.76 kcal/mol
-        -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006
+        -analytic 1.1504e+1 3.9871e-3 1.5818e+4 -1.7762e+1 -1.4485e+6
 #       -Range:  0-300
 
 Berlinite
-        AlPO4 +1.0000 H+  =  + 1.0000 Al+++ + 1.0000 HPO4--
-        log_k           -7.2087
-	-delta_H	-96.6313	kJ/mol	# Calculated enthalpy of reaction	Berlinite
+        AlPO4 + H+ = Al+3 + HPO4-2
+        log_k -7.2087
+	-delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite
 #	Enthalpy of formation:	-1733.85 kJ/mol
-        -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002
+        -analytic -2.8134e+2 -9.9933e-2 1.0308e+4 1.0883e+2 1.6094e+2
 #       -Range:  0-300
 
 Berndtite
-        SnS2  =  + 1.0000 S2-- + 1.0000 Sn++
-        log_k           -34.5393
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Berndtite
+        SnS2 = S2-2 + Sn+2
+        log_k -34.5393
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite
 #	Enthalpy of formation:	-36.7 kcal/mol
-        -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001
+        -analytic -2.0311e+2 -7.6462e-2 -4.9879e+3 8.4082e+1 -7.7772e+1
 #       -Range:  0-300
 
 Bieberite
-        CoSO4:7H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.5051
-	-delta_H	11.3885	kJ/mol	# Calculated enthalpy of reaction	Bieberite
+        CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
+        log_k -2.5051
+	-delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite
 #	Enthalpy of formation:	-2980.02 kJ/mol
-        -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002
+        -analytic -2.6405e+2 -7.2497e-2 6.6673e+3 1.0538e+2 1.0411e+2
 #       -Range:  0-300
 
 Birnessite
-        Mn8O14:5H2O +4.0000 H+  =  + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O
-        log_k           -85.5463
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Birnessite
+        Mn8O14:5H2O + 4 H+ = 3 MnO4-2 + 5 Mn+2 + 7 H2O
+        log_k -85.5463
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite
 #	Enthalpy of formation:	0 kcal/mol
 
 Bischofite
-        MgCl2:6H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           4.3923
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bischofite
+        MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O
+        log_k 4.3923
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite
 #	Enthalpy of formation:	0 kcal/mol
 
 Bixbyite
-        Mn2O3 +6.0000 H+  =  + 2.0000 Mn+++ + 3.0000 H2O
-        log_k           -0.9655
-	-delta_H	-190.545	kJ/mol	# Calculated enthalpy of reaction	Bixbyite
+        Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+        log_k -0.9655
+	-delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite
 #	Enthalpy of formation:	-958.971 kJ/mol
-        -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002
+        -analytic -1.16e+2 -2.8056e-3 1.3418e+4 2.8639e+1 2.0941e+2
 #       -Range:  0-300
 
 Bloedite
-        Na2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -2.4777
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Bloedite
+        Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
+        log_k -2.4777
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
 #	Enthalpy of formation:	0 kcal/mol
 
 Boehmite
-        AlO2H +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
-        log_k           7.5642
-	-delta_H	-113.282	kJ/mol	# Calculated enthalpy of reaction	Boehmite
+        AlO2H + 3 H+ = Al+3 + 2 H2O
+        log_k 7.5642
+	-delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite
 #	Enthalpy of formation:	-238.24 kcal/mol
-        -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002
+        -analytic -1.2196e+2 -3.1138e-2 8.8643e+3 4.4075e+1 1.3835e+2
 #       -Range:  0-300
 
 Boltwoodite
-        K(H3O)(UO2)SiO4 +3.0000 H+  =  + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
-        log_k           14.8857
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite
+        K(H3O)(UO2)SiO4 + 3 H+ = K+ + SiO2 + UO2+2 + 3 H2O
+        log_k 14.8857
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite
 #	Enthalpy of formation:	0 kcal/mol
 
 Boltwoodite-Na
-        Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+  =  + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O
-        log_k           14.5834
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Boltwoodite-Na
+        Na.7K.3(H3O)(UO2)SiO4:H2O + 3 H+ = 0.3 K+ + 0.7 Na+ + SiO2 + UO2+2 + 4 H2O
+        log_k 14.5834
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na
 #	Enthalpy of formation:	0 kcal/mol
 
 Borax
-        Na2(B4O5(OH)4):8H2O +2.0000 H+  =  + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O
-        log_k           12.0395
-	-delta_H	80.5145	kJ/mol	# Calculated enthalpy of reaction	Borax
+        Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
+        log_k 12.0395
+	-delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax
 #	Enthalpy of formation:	-6288.44 kJ/mol
-        -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001
+        -analytic 7.8374e+1 1.9328e-2 -5.3279e+3 -2.1914e+1 -8.316e+1
 #       -Range:  0-300
 
 Boric_acid
-        B(OH)3  =  + 1.0000 B(OH)3
-        log_k           -0.1583
-	-delta_H	20.2651	kJ/mol	# Calculated enthalpy of reaction	Boric_acid
+        B(OH)3 = B(OH)3
+        log_k -0.1583
+	-delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid
 #	Enthalpy of formation:	-1094.8 kJ/mol
-        -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001
+        -analytic 3.9122e+1 6.4058e-3 -2.2525e+3 -1.3592e+1 -3.516e+1
 #       -Range:  0-300
 
 Bornite
-        Cu5FeS4 +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS-
-        log_k           -102.4369
-	-delta_H	530.113	kJ/mol	# Calculated enthalpy of reaction	Bornite
+        Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
+        log_k -102.4369
+	-delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite
 #	Enthalpy of formation:	-79.922 kcal/mol
-        -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002
+        -analytic -7.0495e+2 -2.0082e-1 -9.1376e+3 2.8004e+2 -1.4238e+2
 #       -Range:  0-300
 
 Brezinaite
-        Cr3S4 +4.0000 H+  =  + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS-
-        log_k           2.7883
-	-delta_H	-216.731	kJ/mol	# Calculated enthalpy of reaction	Brezinaite
+        Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
+        log_k 2.7883
+	-delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite
 #	Enthalpy of formation:	-111.9 kcal/mol
-        -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002
+        -analytic -7.0528e+1 -3.6568e-2 1.0598e+4 1.9665e+1 1.8e+2
 #       -Range:  0-200
 
 Brochantite
-        Cu4(SO4)(OH)6 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O
-        log_k           15.4363
-	-delta_H	-163.158	kJ/mol	# Calculated enthalpy of reaction	Brochantite
+        Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
+        log_k 15.4363
+	-delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite
 #	Enthalpy of formation:	-2198.72 kJ/mol
-        -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002
+        -analytic -2.3609e+2 -3.9046e-2 1.597e+4 8.4701e+1 2.7127e+2
 #       -Range:  0-200
 
 Bromellite
-        BeO +2.0000 H+  =  + 1.0000 Be++ + 1.0000 H2O
-        log_k           1.1309
-	-delta_H	-59.2743	kJ/mol	# Calculated enthalpy of reaction	Bromellite
+        BeO + 2 H+ = Be+2 + H2O
+        log_k 1.1309
+	-delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite
 #	Enthalpy of formation:	-609.4 kJ/mol
-        -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002
+        -analytic 1.479e+2 -4.6004e-1 -3.2577e+4 4.0273e+1 -5.0837e+2
 #       -Range:  0-300
 
 Brucite
-        Mg(OH)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 H2O
-        log_k           16.2980
-	-delta_H	-111.34	kJ/mol	# Calculated enthalpy of reaction	Brucite
+        Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+        log_k 16.298
+	-delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite
 #	Enthalpy of formation:	-221.39 kcal/mol
-        -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002
+        -analytic -1.028e+2 -1.9759e-2 9.018e+3 3.8282e+1 1.4075e+2
 #       -Range:  0-300
 
 Brushite
-        CaHPO4:2H2O  =  + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O
-        log_k           6.5500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Brushite
+        CaHPO4:2H2O = Ca+2 + HPO4-2 + 2 H2O
+        log_k 6.55
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Brushite
 #	Enthalpy of formation:	0 kcal/mol
 
 Bunsenite
-        NiO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Ni++
-        log_k           12.4719
-	-delta_H	-100.069	kJ/mol	# Calculated enthalpy of reaction	Bunsenite
+        NiO + 2 H+ = H2O + Ni+2
+        log_k 12.4719
+	-delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite
 #	Enthalpy of formation:	-57.3 kcal/mol
-        -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002
+        -analytic -8.1664e+1 -1.9796e-2 7.4064e+3 3.0385e+1 1.1559e+2
 #       -Range:  0-300
 
 Burkeite
-        Na6CO3(SO4)2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+
-        log_k           9.4866
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Burkeite
+        Na6CO3(SO4)2 + H+ = HCO3- + 2 SO4-2 + 6 Na+
+        log_k 9.4866
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite
 #	Enthalpy of formation:	0 kcal/mol
 
 C
-       C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3-
-        log_k           64.1735
-	-delta_H	-391.961	kJ/mol	# Calculated enthalpy of reaction	C
+       C + H2O + O2 = H+ + HCO3-
+        log_k 64.1735
+	-delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002
+        -analytic -3.5556e+1 -3.3691e-2 1.9774e+4 1.7548e+1 3.0856e+2
 #       -Range:  0-300
 
 Ca
-       Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O
-        log_k           139.8465
-	-delta_H	-822.855	kJ/mol	# Calculated enthalpy of reaction	Ca
+       Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O
+        log_k 139.8465
+	-delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005
+        -analytic -1.1328e+2 -2.6554e-2 4.7638e+4 4.1989e+1 -2.3545e+5
 #       -Range:  0-300
 
 Ca-Al_Pyroxene
-        CaAl2SiO6 +8.0000 H+  =  + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O
-        log_k           35.9759
-	-delta_H	-361.548	kJ/mol	# Calculated enthalpy of reaction	Ca-Al_Pyroxene
+        CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
+        log_k 35.9759
+	-delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene
 #	Enthalpy of formation:	-783.793 kcal/mol
-        -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002
+        -analytic -1.4664e+2 -5.0409e-2 2.1045e+4 5.1318e+1 3.2843e+2
 #       -Range:  0-300
 
 Ca2Al2O5:8H2O
-       Ca2Al2O5:8H2O +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O
-        log_k           59.5687
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Al2O5:8H2O
+       Ca2Al2O5:8H2O + 10 H+ = 2 Al+3 + 2 Ca+2 + 13 H2O
+        log_k 59.5687
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Ca2Cl2(OH)2:H2O
-       Ca2Cl2(OH)2:H2O +2.0000 H+  =  + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O
-        log_k           26.2901
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2Cl2(OH)2:H2O
+       Ca2Cl2(OH)2:H2O + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O
+        log_k 26.2901
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Ca2V2O7
-       Ca2V2O7 +1.0000 H2O  =  + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4---
-        log_k           -39.7129
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca2V2O7
+       Ca2V2O7 + H2O = 2 Ca+2 + 2 H+ + 2 VO4-3
+        log_k -39.7129
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7
 #	Enthalpy of formation:	-3083.46 kJ/mol
 
 Ca3(AsO4)2
-       Ca3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Ca++
-        log_k           17.8160
-	-delta_H	-149.956	kJ/mol	# Calculated enthalpy of reaction	Ca3(AsO4)2
+       Ca3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Ca+2
+        log_k 17.816
+	-delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2
 #	Enthalpy of formation:	-3298.41 kJ/mol
-        -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002
+        -analytic -1.4011e+2 -4.2945e-2 1.0981e+4 5.4107e+1 1.8652e+2
 #       -Range:  0-200
 
 Ca3Al2O6
-       Ca3Al2O6 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O
-        log_k           113.0460
-	-delta_H	-833.336	kJ/mol	# Calculated enthalpy of reaction	Ca3Al2O6
+       Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
+        log_k 113.046
+	-delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6
 #	Enthalpy of formation:	-857.492 kcal/mol
-        -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002
+        -analytic -2.7163e+2 -5.2897e-2 5.0815e+4 9.2946e+1 8.63e+2
 #       -Range:  0-200
 
 Ca3V2O8
-       Ca3V2O8  =  + 2.0000 VO4--- + 3.0000 Ca++
-        log_k           -18.3234
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca3V2O8
+       Ca3V2O8 = 2 VO4-3 + 3 Ca+2
+        log_k -18.3234
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8
 #	Enthalpy of formation:	-3778.1 kJ/mol
 
 Ca4Al2Fe2O10
-       Ca4Al2Fe2O10 +20.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O
-        log_k           140.5050
-	-delta_H	-1139.86	kJ/mol	# Calculated enthalpy of reaction	Ca4Al2Fe2O10
+       Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
+        log_k 140.505
+	-delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10
 #	Enthalpy of formation:	-1211 kcal/mol
-        -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003
+        -analytic -4.1808e+2 -8.2787e-2 7.0288e+4 1.4043e+2 1.1937e+3
 #       -Range:  0-200
 
 Ca4Al2O7:13H2O
-       Ca4Al2O7:13H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O
-        log_k           107.2537
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:13H2O
+       Ca4Al2O7:13H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 20 H2O
+        log_k 107.2537
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Ca4Al2O7:19H2O
-       Ca4Al2O7:19H2O +14.0000 H+  =  + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O
-        log_k           103.6812
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Al2O7:19H2O
+       Ca4Al2O7:19H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 26 H2O
+        log_k 103.6812
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Ca4Cl2(OH)6:13H2O
-       Ca4Cl2(OH)6:13H2O +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O
-        log_k           68.3283
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ca4Cl2(OH)6:13H2O
+       Ca4Cl2(OH)6:13H2O + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O
+        log_k 68.3283
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 CaAl2O4
-       CaAl2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           46.9541
-	-delta_H	-436.952	kJ/mol	# Calculated enthalpy of reaction	CaAl2O4
+       CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
+        log_k 46.9541
+	-delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4
 #	Enthalpy of formation:	-555.996 kcal/mol
-        -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002
+        -analytic -3.0378e+2 -7.9356e-2 3.0096e+4 1.1049e+2 4.6971e+2
 #       -Range:  0-300
 
 CaAl2O4:10H2O
-       CaAl2O4:10H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O
-        log_k           37.9946
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaAl2O4:10H2O
+       CaAl2O4:10H2O + 8 H+ = Ca+2 + 2 Al+3 + 14 H2O
+        log_k 37.9946
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 CaAl4O7
-       CaAl4O7 +14.0000 H+  =  + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O
-        log_k           68.6138
-	-delta_H	-718.464	kJ/mol	# Calculated enthalpy of reaction	CaAl4O7
+       CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
+        log_k 68.6138
+	-delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7
 #	Enthalpy of formation:	-951.026 kcal/mol
-        -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002
+        -analytic -3.1044e+2 -6.7078e-2 4.4566e+4 1.0085e+2 7.5689e+2
 #       -Range:  0-200
 
 CaSO4:0.5H2O(beta)
-       CaSO4:0.5H2O  =  + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
-        log_k           -3.4934
-	-delta_H	-20.804	kJ/mol	# Calculated enthalpy of reaction	CaSO4:0.5H2O(beta)
+       CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
+        log_k -3.4934
+	-delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta)
 #	Enthalpy of formation:	-1574.8 kJ/mol
-        -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001
+        -analytic -2.3054e+2 -8.2832e-2 5.9132e+3 9.3705e+1 9.2338e+1
 #       -Range:  0-300
 
 CaSeO3:2H2O
-       CaSeO3:2H2O  =  + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -4.6213
-	-delta_H	-14.1963	kJ/mol	# Calculated enthalpy of reaction	CaSeO3:2H2O
+       CaSeO3:2H2O = Ca+2 + SeO3-2 + 2 H2O
+        log_k -4.6213
+	-delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O
 #	Enthalpy of formation:	-384.741 kcal/mol
-        -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001
+        -analytic -4.1771e+1 -2.0735e-2 9.787e+2 1.618e+1 1.6634e+1
 #       -Range:  0-200
 
 CaSeO4
-       CaSeO4  =  + 1.0000 Ca++ + 1.0000 SeO4--
-        log_k           -3.0900
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaSeO4
+       CaSeO4 = Ca+2 + SeO4-2
+        log_k -3.09
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4
 #	Enthalpy of formation:	0 kcal/mol
 
 CaUO4
-       CaUO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           15.9420
-	-delta_H	-131.46	kJ/mol	# Calculated enthalpy of reaction	CaUO4
+       CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
+        log_k 15.942
+	-delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4
 #	Enthalpy of formation:	-2002.3 kJ/mol
-        -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002
+        -analytic -8.7902e+1 -1.981e-2 9.2354e+3 3.1832e+1 1.4414e+2
 #       -Range:  0-300
 
 CaV2O6
-       CaV2O6 +2.0000 H2O  =  + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -51.3617
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CaV2O6
+       CaV2O6 + 2 H2O = Ca+2 + 2 VO4-3 + 4 H+
+        log_k -51.3617
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6
 #	Enthalpy of formation:	-2329.34 kJ/mol
 
 CaZrO3
-       CaZrO3 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++
-        log_k           -148.5015
-	-delta_H	801.282	kJ/mol	# Calculated enthalpy of reaction	CaZrO3
+       CaZrO3 + 4 H+ = Ca+2 + H2O + Zr(OH)2+2
+        log_k -148.5015
+	-delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3
 #	Enthalpy of formation:	-650.345 kcal/mol
-        -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002
+        -analytic -7.7908e+1 -1.4388e-2 -3.9635e+4 2.6932e+1 -6.7303e+2
 #       -Range:  0-200
 
 Cadmoselite
-        CdSe  =  + 1.0000 Cd++ + 1.0000 Se--
-        log_k           -33.8428
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cadmoselite
+        CdSe = Cd+2 + Se-2
+        log_k -33.8428
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite
 #	Enthalpy of formation:	-34.6 kcal/mol
-        -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001
+        -analytic -5.3432e+1 -1.3973e-2 -5.8989e+3 1.7591e+1 -9.2031e+1
 #       -Range:  0-300
 
 Calcite
-        CaCO3 +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 HCO3-
-        log_k           1.8487
-	-delta_H	-25.7149	kJ/mol	# Calculated enthalpy of reaction	Calcite
+        CaCO3 + H+ = Ca+2 + HCO3-
+        log_k 1.8487
+	-delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite
 #	Enthalpy of formation:	-288.552 kcal/mol
-        -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001
+        -analytic -1.4978e+2 -4.837e-2 4.8974e+3 6.0458e+1 7.6464e+1
 #       -Range:  0-300
 
 Calomel
-        Hg2Cl2  =  + 1.0000 Hg2++ + 2.0000 Cl-
-        log_k           -17.8241
-	-delta_H	98.0267	kJ/mol	# Calculated enthalpy of reaction	Calomel
+        Hg2Cl2 = Hg2+2 + 2 Cl-
+        log_k -17.8241
+	-delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel
 #	Enthalpy of formation:	-265.37 kJ/mol
-        -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001
+        -analytic -4.8868e+1 -2.554e-2 -2.8439e+3 1.9475e+1 -4.8277e+1
 #       -Range:  0-200
 
 Carnallite
-        KMgCl3:6H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O
-        log_k           4.2721
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnallite
+        KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O
+        log_k 4.2721
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite
 #	Enthalpy of formation:	0 kcal/mol
 
 Carnotite
-        K2(UO2)2(VO4)2  =  + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4---
-        log_k           -56.3811
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Carnotite
+        K2(UO2)2(VO4)2 = 2 K+ + 2 UO2+2 + 2 VO4-3
+        log_k -56.3811
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite
 #	Enthalpy of formation:	-1173.9 kJ/mol
 
 Cassiterite
-        SnO2 +2.0000 H+  =  + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++
-        log_k           -46.1203
-	-delta_H	280.048	kJ/mol	# Calculated enthalpy of reaction	Cassiterite
+        SnO2 + 2 H+ = 0.5 O2 + H2O + Sn+2
+        log_k -46.1203
+	-delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite
 #	Enthalpy of formation:	-138.8 kcal/mol
-        -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002
+        -analytic -8.9264e+1 -1.5743e-2 -1.1497e+4 3.4917e+1 -1.7937e+2
 #       -Range:  0-300
 
 Cattierite
-        CoS2  =  + 1.0000 Co++ + 1.0000 S2--
-        log_k           -29.9067
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cattierite
+        CoS2 = Co+2 + S2-2
+        log_k -29.9067
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite
 #	Enthalpy of formation:	-36.589 kcal/mol
-        -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001
+        -analytic -2.197e+2 -7.8585e-2 -1.9592e+3 8.8809e+1 -3.0507e+1
 #       -Range:  0-300
 
 Cd
-       Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O
-        log_k           56.6062
-	-delta_H	-355.669	kJ/mol	# Calculated enthalpy of reaction	Cd
+       Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O
+        log_k 56.6062
+	-delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004
+        -analytic -7.2027e+1 -2.025e-2 2.0474e+4 2.6814e+1 -3.2348e+4
 #       -Range:  0-300
 
 Cd(BO2)2
-       Cd(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Cd++ + 2.0000 B(OH)3
-        log_k           9.8299
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(BO2)2
+       Cd(BO2)2 + 2 H+ + 2 H2O = Cd+2 + 2 B(OH)3
+        log_k 9.8299
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Cd(IO3)2
-       Cd(IO3)2  =  + 1.0000 Cd++ + 2.0000 IO3-
-        log_k           -7.5848
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd(IO3)2
+       Cd(IO3)2 = Cd+2 + 2 IO3-
+        log_k -7.5848
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Cd(OH)2
-       Cd(OH)2 +2.0000 H+  =  + 1.0000 Cd++ + 2.0000 H2O
-        log_k           13.7382
-	-delta_H	-87.0244	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)2
+       Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.7382
+	-delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2
 #	Enthalpy of formation:	-560.55 kJ/mol
-        -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002
+        -analytic -7.7001e+1 -6.9251e-3 7.4684e+3 2.738e+1 1.2685e+2
 #       -Range:  0-200
 
 Cd(OH)Cl
-       Cd(OH)Cl +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O
-        log_k           3.5435
-	-delta_H	-30.3888	kJ/mol	# Calculated enthalpy of reaction	Cd(OH)Cl
+       Cd(OH)Cl + H+ = Cd+2 + Cl- + H2O
+        log_k 3.5435
+	-delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl
 #	Enthalpy of formation:	-498.427 kJ/mol
-        -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001
+        -analytic -4.5477e+1 -1.5809e-2 2.5333e+3 1.8279e+1 4.3035e+1
 #       -Range:  0-200
 
 Cd3(AsO4)2
-       Cd3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cd++
-        log_k           4.0625
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(AsO4)2
+       Cd3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cd+2
+        log_k 4.0625
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Cd3(PO4)2
-       Cd3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cd++
-        log_k           -7.8943
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(PO4)2
+       Cd3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cd+2
+        log_k -7.8943
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Cd3(SO4)(OH)4
-       Cd3(SO4)(OH)4 +4.0000 H+  =  + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O
-        log_k           22.5735
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)(OH)4
+       Cd3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cd+2 + 4 H2O
+        log_k 22.5735
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4
 #	Enthalpy of formation:	0 kcal/mol
 
 Cd3(SO4)2(OH)2
-       Cd3(SO4)2(OH)2 +2.0000 H+  =  + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++
-        log_k           6.7180
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cd3(SO4)2(OH)2
+       Cd3(SO4)2(OH)2 + 2 H+ = 2 H2O + 2 SO4-2 + 3 Cd+2
+        log_k 6.718
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2
 #	Enthalpy of formation:	0 kcal/mol
 
 CdBr2
-       CdBr2  =  + 1.0000 Cd++ + 2.0000 Br-
-        log_k           -1.8470
-	-delta_H	-2.67548	kJ/mol	# Calculated enthalpy of reaction	CdBr2
+       CdBr2 = Cd+2 + 2 Br-
+        log_k -1.847
+	-delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2
 #	Enthalpy of formation:	-316.229 kJ/mol
-        -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001
+        -analytic 1.3056e+0 -2.0628e-2 -1.3318e+3 3.0126e+0 -2.2616e+1
 #       -Range:  0-200
 
 CdBr2:4H2O
-       CdBr2:4H2O  =  + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O
-        log_k           -2.3378
-	-delta_H	30.2812	kJ/mol	# Calculated enthalpy of reaction	CdBr2:4H2O
+       CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+        log_k -2.3378
+	-delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O
 #	Enthalpy of formation:	-1492.54 kJ/mol
-        -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001
+        -analytic -1.0038e+2 -2.1045e-2 1.6896e+3 3.9864e+1 2.8726e+1
 #       -Range:  0-200
 
 CdCl2
-       CdCl2  =  + 1.0000 Cd++ + 2.0000 Cl-
-        log_k           -0.6474
-	-delta_H	-18.5391	kJ/mol	# Calculated enthalpy of reaction	CdCl2
+       CdCl2 = Cd+2 + 2 Cl-
+        log_k -0.6474
+	-delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2
 #	Enthalpy of formation:	-391.518 kJ/mol
-        -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000
+        -analytic -1.523e+1 -2.4574e-2 -8.1017e+1 8.9599e+0 -1.3702e+0
 #       -Range:  0-200
 
 CdCl2(NH3)2
-       CdCl2(NH3)2  =  + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3
-        log_k           -8.7864
-	-delta_H	63.534	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)2
+       CdCl2(NH3)2 = Cd+2 + 2 Cl- + 2 NH3
+        log_k -8.7864
+	-delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2
 #	Enthalpy of formation:	-636.265 kJ/mol
-        -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001
+        -analytic -5.5283e+1 -2.1791e-2 -2.115e+3 2.4279e+1 -3.5896e+1
 #       -Range:  0-200
 
 CdCl2(NH3)4
-       CdCl2(NH3)4  =  + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3
-        log_k           -6.8044
-	-delta_H	81.7931	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)4
+       CdCl2(NH3)4 = Cd+2 + 2 Cl- + 4 NH3
+        log_k -6.8044
+	-delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4
 #	Enthalpy of formation:	-817.198 kJ/mol
-        -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001
+        -analytic -9.5682e+1 -1.8853e-2 -8.3875e+2 3.9322e+1 -1.421e+1
 #       -Range:  0-200
 
 CdCl2(NH3)6
-       CdCl2(NH3)6  =  + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3
-        log_k           -4.7524
-	-delta_H	97.2971	kJ/mol	# Calculated enthalpy of reaction	CdCl2(NH3)6
+       CdCl2(NH3)6 = Cd+2 + 2 Cl- + 6 NH3
+        log_k -4.7524
+	-delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6
 #	Enthalpy of formation:	-995.376 kJ/mol
-        -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000
+        -analytic -1.3662e+2 -1.5941e-2 5.8572e+2 5.4415e+1 9.9937e+0
 #       -Range:  0-200
 
 CdCl2:H2O
-       CdCl2:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl-
-        log_k           -1.6747
-	-delta_H	-7.44943	kJ/mol	# Calculated enthalpy of reaction	CdCl2:H2O
+       CdCl2:H2O = Cd+2 + H2O + 2 Cl-
+        log_k -1.6747
+	-delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O
 #	Enthalpy of formation:	-688.446 kJ/mol
-        -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000
+        -analytic -4.1097e+1 -2.4685e-2 5.2687e+2 1.8188e+1 8.9615e+0
 #       -Range:  0-200
 
 CdCr2O4
-       CdCr2O4 +8.0000 H+  =  + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           14.9969
-	-delta_H	-255.676	kJ/mol	# Calculated enthalpy of reaction	CdCr2O4
+       CdCr2O4 + 8 H+ = Cd+2 + 2 Cr+3 + 4 H2O
+        log_k 14.9969
+	-delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4
 #	Enthalpy of formation:	-344.3 kcal/mol
-        -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002
+        -analytic -1.7446e+2 -9.1086e-3 1.9223e+4 5.1605e+1 3.265e+2
 #       -Range:  0-200
 
 CdF2
-       CdF2  =  + 1.0000 Cd++ + 2.0000 F-
-        log_k           -1.1464
-	-delta_H	-46.064	kJ/mol	# Calculated enthalpy of reaction	CdF2
+       CdF2 = Cd+2 + 2 F-
+        log_k -1.1464
+	-delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2
 #	Enthalpy of formation:	-700.529 kJ/mol
-        -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001
+        -analytic -3.0654e+1 -2.479e-2 1.7893e+3 1.2482e+1 3.0395e+1
 #       -Range:  0-200
 
 CdI2
-       CdI2  =  + 1.0000 Cd++ + 2.0000 I-
-        log_k           -3.4825
-	-delta_H	13.7164	kJ/mol	# Calculated enthalpy of reaction	CdI2
+       CdI2 = Cd+2 + 2 I-
+        log_k -3.4825
+	-delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2
 #	Enthalpy of formation:	-203.419 kJ/mol
-        -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001
+        -analytic -1.5446e+1 -2.4758e-2 -1.6422e+3 1.0041e+1 -2.7882e+1
 #       -Range:  0-200
 
 CdS
-       CdS +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HS-
-        log_k           -15.9095
-	-delta_H	70.1448	kJ/mol	# Calculated enthalpy of reaction	CdS
+       CdS + H+ = Cd+2 + HS-
+        log_k -15.9095
+	-delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS
 #	Enthalpy of formation:	-162.151 kJ/mol
-        -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001
+        -analytic -2.9492e+1 -1.5181e-2 -3.4695e+3 1.2019e+1 -5.8907e+1
 #       -Range:  0-200
 
 CdSO4
-       CdSO4  =  + 1.0000 Cd++ + 1.0000 SO4--
-        log_k           -0.1061
-	-delta_H	-52.1304	kJ/mol	# Calculated enthalpy of reaction	CdSO4
+       CdSO4 = Cd+2 + SO4-2
+        log_k -0.1061
+	-delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4
 #	Enthalpy of formation:	-933.369 kJ/mol
-        -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001
+        -analytic 7.7104e+0 -1.7161e-2 8.7067e+2 -2.2763e+0 1.4783e+1
 #       -Range:  0-200
 
 CdSO4:2.667H2O
-       CdSO4:2.667H2O  =  + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O
-        log_k           -1.8015
-	-delta_H	-18.5302	kJ/mol	# Calculated enthalpy of reaction	CdSO4:2.667H2O
+       CdSO4:2.667H2O = Cd+2 + SO4-2 + 2.667 H2O
+        log_k -1.8015
+	-delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O
 #	Enthalpy of formation:	-1729.3 kJ/mol
-        -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001
+        -analytic -5.0331e+1 -1.4983e-2 2.0271e+3 1.8665e+1 3.444e+1
 #       -Range:  0-200
 
 CdSO4:H2O
-       CdSO4:H2O  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4--
-        log_k           -1.6529
-	-delta_H	-31.6537	kJ/mol	# Calculated enthalpy of reaction	CdSO4:H2O
+       CdSO4:H2O = Cd+2 + H2O + SO4-2
+        log_k -1.6529
+	-delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O
 #	Enthalpy of formation:	-1239.68 kJ/mol
-        -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001
+        -analytic -1.7142e+1 -1.7295e-2 9.9184e+2 6.9943e+0 1.6849e+1
 #       -Range:  0-200
 
 CdSeO3
-       CdSeO3  =  + 1.0000 Cd++ + 1.0000 SeO3--
-        log_k           -8.8086
-	-delta_H	-9.92156	kJ/mol	# Calculated enthalpy of reaction	CdSeO3
+       CdSeO3 = Cd+2 + SeO3-2
+        log_k -8.8086
+	-delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3
 #	Enthalpy of formation:	-575.169 kJ/mol
-        -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001
+        -analytic 7.1762e+0 -1.8892e-2 -1.468e+3 -2.1984e+0 -2.4932e+1
 #       -Range:  0-200
 
 CdSeO4
-       CdSeO4  =  + 1.0000 Cd++ + 1.0000 SeO4--
-        log_k           -2.2132
-	-delta_H	-41.9836	kJ/mol	# Calculated enthalpy of reaction	CdSeO4
+       CdSeO4 = Cd+2 + SeO4-2
+        log_k -2.2132
+	-delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4
 #	Enthalpy of formation:	-633.063 kJ/mol
-        -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001
+        -analytic -4.9901e+0 -1.9755e-2 7.3162e+2 2.5063e+0 1.2426e+1
 #       -Range:  0-200
 
 CdSiO3
-       CdSiO3 +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           7.5136
-	-delta_H	-50.3427	kJ/mol	# Calculated enthalpy of reaction	CdSiO3
+       CdSiO3 + 2 H+ = Cd+2 + H2O + SiO2
+        log_k 7.5136
+	-delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3
 #	Enthalpy of formation:	-1189.09 kJ/mol
-        -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001
+        -analytic 2.6419e+2 6.2488e-2 -5.3518e+3 -1.0401e+2 -9.0973e+1
 #       -Range:  0-200
 
 Ce
-       Ce +3.0000 H+ +0.7500 O2  =  + 1.0000 Ce+++ + 1.5000 H2O
-        log_k           182.9563
-	-delta_H	-1120.06	kJ/mol	# Calculated enthalpy of reaction	Ce
+       Ce + 3 H+ + 0.75 O2 = Ce+3 + 1.5 H2O
+        log_k 182.9563
+	-delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002
+        -analytic -5.1017e+1 -2.6149e-2 5.8511e+4 1.8382e+1 9.1302e+2
 #       -Range:  0-300
 
 Ce(OH)3
-       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
-        log_k           19.8852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3
+       Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O
+        log_k 19.8852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Ce(OH)3(am)
-       Ce(OH)3 +3.0000 H+  =  + 1.0000 Ce+++ + 3.0000 H2O
-        log_k           21.1852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)3(am)
+       Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O
+        log_k 21.1852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Ce2(CO3)3:8H2O
-       Ce2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O
-        log_k           -4.1136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(CO3)3:8H2O
+       Ce2(CO3)3:8H2O + 3 H+ = 2 Ce+3 + 3 HCO3- + 8 H2O
+        log_k -4.1136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Ce2O3
-       Ce2O3 +6.0000 H+  =  + 2.0000 Ce+++ + 3.0000 H2O
-        log_k           62.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2O3
+       Ce2O3 + 6 H+ = 2 Ce+3 + 3 H2O
+        log_k 62.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 Ce3(PO4)4
-       Ce3(PO4)4 +4.0000 H+  =  + 3.0000 Ce++++ + 4.0000 HPO4--
-        log_k           -40.8127
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(PO4)4
+       Ce3(PO4)4 + 4 H+ = 3 Ce+4 + 4 HPO4-2
+        log_k -40.8127
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4
 #	Enthalpy of formation:	0 kcal/mol
 
 CeF3:.5H2O
-       CeF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F-
-        log_k           -18.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeF3:.5H2O
+       CeF3:.5H2O = 0.5 H2O + Ce+3 + 3 F-
+        log_k -18.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 CeO2
-       CeO2 +4.0000 H+  =  + 1.0000 Ce++++ + 2.0000 H2O
-        log_k           -8.1600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeO2
+       CeO2 + 4 H+ = Ce+4 + 2 H2O
+        log_k -8.16
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CeO2
 #	Enthalpy of formation:	0 kcal/mol
 
 CePO4:10H2O
-       CePO4:10H2O +1.0000 H+  =  + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -12.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4:10H2O
+       CePO4:10H2O + H+ = Ce+3 + HPO4-2 + 10 H2O
+        log_k -12.2782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Celadonite
-        KMgAlSi4O10(OH)2 +6.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           7.4575
-	-delta_H	-74.3957	kJ/mol	# Calculated enthalpy of reaction	Celadonite
+        KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
+        log_k 7.4575
+	-delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite
 #	Enthalpy of formation:	-1394.9 kcal/mol
-        -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006
+        -analytic -3.3097e+1 1.7989e-2 1.8919e+4 -2.1219e+0 -2.0588e+6
 #       -Range:  0-300
 
 Celestite
-        SrSO4  =  + 1.0000 SO4-- + 1.0000 Sr++
-        log_k           -5.6771
-	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
+        SrSO4 = SO4-2 + Sr+2
+        log_k -5.6771
+	-delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite
 #	Enthalpy of formation:	-347.3 kcal/mol
-        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
+        -analytic -1.9063e+2 -7.4552e-2 3.905e+3 7.8416e+1 6.0991e+1
 #       -Range:  0-300
 
 Cerussite
-        PbCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Pb++
-        log_k           -3.2091
-	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
+        PbCO3 + H+ = HCO3- + Pb+2
+        log_k -3.2091
+	-delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite
 #	Enthalpy of formation:	-168 kcal/mol
-        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
+        -analytic -1.2887e+2 -4.4372e-2 2.2336e+3 5.3091e+1 3.4891e+1
 #       -Range:  0-300
 
 Chalcanthite
-        CuSO4:5H2O  =  + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O
-        log_k           -2.6215
-	-delta_H	6.57556	kJ/mol	# Calculated enthalpy of reaction	Chalcanthite
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+        log_k -2.6215
+	-delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite
 #	Enthalpy of formation:	-2279.68 kJ/mol
-        -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001
+        -analytic -1.1262e+2 -1.5544e-2 3.6176e+3 4.142e+1 6.1471e+1
 #       -Range:  0-200
 
 Chalcedony
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.7281
-	-delta_H	31.4093	kJ/mol	# Calculated enthalpy of reaction	Chalcedony
+        SiO2 = SiO2
+        log_k -3.7281
+	-delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony
 #	Enthalpy of formation:	-217.282 kcal/mol
-        -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005
+        -analytic -9.0068e+0 9.3241e-3 4.0535e+3 -1.083e+0 -7.5077e+5
 #       -Range:  0-300
 
 Chalcocite
-        Cu2S +1.0000 H+  =  + 1.0000 HS- + 2.0000 Cu+
-        log_k           -34.7342
-	-delta_H	206.748	kJ/mol	# Calculated enthalpy of reaction	Chalcocite
+        Cu2S + H+ = HS- + 2 Cu+
+        log_k -34.7342
+	-delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite
 #	Enthalpy of formation:	-19 kcal/mol
-        -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002
+        -analytic -1.3703e+2 -4.0727e-2 -7.1694e+3 5.5963e+1 -1.1183e+2
 #       -Range:  0-300
 
 Chalcocyanite
-        CuSO4  =  + 1.0000 Cu++ + 1.0000 SO4--
-        log_k           2.9239
-	-delta_H	-72.5128	kJ/mol	# Calculated enthalpy of reaction	Chalcocyanite
+        CuSO4 = Cu+2 + SO4-2
+        log_k 2.9239
+	-delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite
 #	Enthalpy of formation:	-771.4 kJ/mol
-        -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001
+        -analytic 5.8173e+0 -1.6933e-2 2.0097e+3 -1.8583e+0 3.4126e+1
 #       -Range:  0-200
 
 Chalcopyrite
-        CuFeS2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS-
-        log_k           -32.5638
-	-delta_H	127.206	kJ/mol	# Calculated enthalpy of reaction	Chalcopyrite
+        CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+        log_k -32.5638
+	-delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite
 #	Enthalpy of formation:	-44.453 kcal/mol
-        -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001
+        -analytic -3.1575e+2 -9.8947e-2 8.34e+2 1.2522e+2 1.3106e+1
 #       -Range:  0-300
 
 Chamosite-7A
-        Fe2Al2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O
-        log_k           32.8416
-	-delta_H	-364.213	kJ/mol	# Calculated enthalpy of reaction	Chamosite-7A
+        Fe2Al2SiO5(OH)4 + 10 H+ = SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O
+        log_k 32.8416
+	-delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A
 #	Enthalpy of formation:	-902.407 kcal/mol
-        -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002
+        -analytic -2.5581e+2 -7.089e-2 2.4619e+4 9.1789e+1 3.8424e+2
 #       -Range:  0-300
 
 Chlorargyrite
-        AgCl  =  + 1.0000 Ag+ + 1.0000 Cl-
-        log_k           -9.7453
-	-delta_H	65.739	kJ/mol	# Calculated enthalpy of reaction	Chlorargyrite
+        AgCl = Ag+ + Cl-
+        log_k -9.7453
+	-delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite
 #	Enthalpy of formation:	-30.37 kcal/mol
-        -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001
+        -analytic -9.6834e+1 -3.4624e-2 -1.182e+3 4.0962e+1 -1.8415e+1
 #       -Range:  0-300
 
 Chloromagnesite
-        MgCl2  =  + 1.0000 Mg++ + 2.0000 Cl-
-        log_k           21.8604
-	-delta_H	-158.802	kJ/mol	# Calculated enthalpy of reaction	Chloromagnesite
+        MgCl2 = Mg+2 + 2 Cl-
+        log_k 21.8604
+	-delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite
 #	Enthalpy of formation:	-641.317 kJ/mol
-        -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002
+        -analytic -2.364e+2 -8.2017e-2 1.348e+4 9.5963e+1 2.1042e+2
 #       -Range:  0-300
 
 Chromite
-        FeCr2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           15.1685
-	-delta_H	-267.755	kJ/mol	# Calculated enthalpy of reaction	Chromite
+        FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
+        log_k 15.1685
+	-delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite
 #	Enthalpy of formation:	-1444.83 kJ/mol
-        -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002
+        -analytic -1.906e+2 -2.5695e-2 1.9465e+4 5.9865e+1 3.0379e+2
 #       -Range:  0-300
 
 Chrysocolla
-        CuSiH4O5 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O
-        log_k           6.2142
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Chrysocolla
+        CuSiH4O5 + 2 H+ = Cu+2 + SiO2 + 3 H2O
+        log_k 6.2142
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla
 #	Enthalpy of formation:	0 kcal/mol
 
 Chrysotile
-        Mg3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O
-        log_k           31.1254
-	-delta_H	-218.041	kJ/mol	# Calculated enthalpy of reaction	Chrysotile
+        Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
+        log_k 31.1254
+	-delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile
 #	Enthalpy of formation:	-1043.12 kcal/mol
-        -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005
+        -analytic -9.2462e+1 -1.1359e-2 1.8312e+4 2.9289e+1 -6.2342e+5
 #       -Range:  0-300
 
 Cinnabar
-        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
-        log_k           -38.9666
-	-delta_H	207.401	kJ/mol	# Calculated enthalpy of reaction	Cinnabar
+        HgS + H+ = HS- + Hg+2
+        log_k -38.9666
+	-delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar
 #	Enthalpy of formation:	-12.75 kcal/mol
-        -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002
+        -analytic -1.5413e+2 -4.6846e-2 -6.9806e+3 6.1639e+1 -1.0888e+2
 #       -Range:  0-300
 
 Claudetite
-        As2O3 +3.0000 H2O  =  + 2.0000 H+ + 2.0000 H2AsO3-
-        log_k           -19.7647
-	-delta_H	82.3699	kJ/mol	# Calculated enthalpy of reaction	Claudetite
+        As2O3 + 3 H2O = 2 H+ + 2 H2AsO3-
+        log_k -19.7647
+	-delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite
 #	Enthalpy of formation:	-654.444 kJ/mol
-        -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001
+        -analytic -1.4164e+2 -6.3704e-2 -2.1679e+3 5.9856e+1 -3.3787e+1
 #       -Range:  0-300
 
 Clausthalite
-        PbSe  =  + 1.0000 Pb++ + 1.0000 Se--
-        log_k           -36.2531
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clausthalite
+        PbSe = Pb+2 + Se-2
+        log_k -36.2531
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite
 #	Enthalpy of formation:	-102.9 kJ/mol
-        -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002
+        -analytic -2.6473e+1 -1.0666e-2 -8.554e+3 8.9226e+0 -1.3347e+2
 #       -Range:  0-300
 
 Clinochalcomenite
-        CuSeO3:2H2O  =  + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -6.7873
-	-delta_H	-31.6645	kJ/mol	# Calculated enthalpy of reaction	Clinochalcomenite
+        CuSeO3:2H2O = Cu+2 + SeO3-2 + 2 H2O
+        log_k -6.7873
+	-delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite
 #	Enthalpy of formation:	-235.066 kcal/mol
-        -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001
+        -analytic -4.6465e+1 -1.8071e-2 2.0307e+3 1.5455e+1 3.4499e+1
 #       -Range:  0-200
 
 Clinochlore-14A
-        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
-        log_k           67.2391
-	-delta_H	-612.379	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-14A
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+        log_k 67.2391
+	-delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A
 #	Enthalpy of formation:	-2116.96 kcal/mol
-        -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002
+        -analytic -2.0441e+2 -6.2268e-2 3.5388e+4 6.9239e+1 5.5225e+2
 #       -Range:  0-300
 
 Clinochlore-7A
-        Mg5Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O
-        log_k           70.6124
-	-delta_H	-628.14	kJ/mol	# Calculated enthalpy of reaction	Clinochlore-7A
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
+        log_k 70.6124
+	-delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A
 #	Enthalpy of formation:	-2113.2 kcal/mol
-        -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002
+        -analytic -2.1644e+2 -6.4187e-2 3.6548e+4 7.4123e+1 5.7037e+2
 #       -Range:  0-300
 
 Clinoptilolite
 #        Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O
-         Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O 
-        log_k           -9.7861
-	-delta_H	-20.8784	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite
+         Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.533O46.922H21.844 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
+        log_k -9.7861
+	-delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite
 #	Enthalpy of formation:	-20587.8 kJ/mol
-        -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006
+        -analytic -1.3213e+0 6.496e-2 5.063e+4 -4.612e+1 -7.4699e+6
 #       -Range:  0-300
 
 Clinoptilolite-Ca
-        Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.0095
-	-delta_H	-74.6745	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Ca
+        Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
+        log_k -7.0095
+	-delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca
 #	Enthalpy of formation:	-4919.84 kcal/mol
-        -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006
+        -analytic -4.482e+1 5.3696e-2 5.4878e+4 -3.1459e+1 -7.5491e+6
 #       -Range:  0-300
 
 Clinoptilolite-Cs
-        Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -13.0578
-	-delta_H	96.9005	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Cs
+        Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O
+        log_k -13.0578
+	-delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs
 #	Enthalpy of formation:	-4949.65 kcal/mol
-        -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006
+        -analytic -8.4746e+0 7.1997e-2 4.9675e+4 -4.1406e+1 -8.0632e+6
 #       -Range:  0-300
 
 Clinoptilolite-K
-        K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -10.9485
-	-delta_H	67.4862	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-K
+        K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
+        log_k -10.9485
+	-delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K
 #	Enthalpy of formation:	-4937.77 kcal/mol
-        -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006
+        -analytic 1.1697e+1 6.948e-2 4.7718e+4 -4.7442e+1 -7.6907e+6
 #       -Range:  0-300
 
 Clinoptilolite-NH4
-        (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -42.4791
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-NH4
+        (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 14.533 SiO2 + 17.856 H2O
+        log_k -42.4791
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4
 #	Enthalpy of formation:	0 kcal/mol
 
 Clinoptilolite-Na
-        Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.1363
-	-delta_H	2.32824	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Na
+        Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
+        log_k -7.1363
+	-delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na
 #	Enthalpy of formation:	-4912.36 kcal/mol
-        -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006
+        -analytic -3.4572e+1 6.8377e-2 5.1962e+4 -3.3426e+1 -7.5586e+6
 #       -Range:  0-300
 
 Clinoptilolite-Sr
-        Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O
-        log_k           -7.1491
-	-delta_H	-66.2129	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-Sr
+        Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
+        log_k -7.1491
+	-delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr
 #	Enthalpy of formation:	-4925.1 kcal/mol
-        -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006
+        -analytic 3.2274e+1 6.705e-2 5.088e+4 -5.9597e+1 -7.3876e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy
 #        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2
-        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 
-        log_k           25.8490
-	-delta_H	-276.592	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy
+        Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
+        log_k 25.849
+	-delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy
 #	Enthalpy of formation:	-17210.2 kJ/mol
-        -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006
+        -analytic -2.0505e+2 6.0155e-2 8.2682e+4 1.5333e+1 -9.1369e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy-Ca
-        Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.6255
-	-delta_H	-329.278	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Ca
+        Ca1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
+        log_k 28.6255
+	-delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca
 #	Enthalpy of formation:	-4112.83 kcal/mol
-        -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006
+        -analytic -1.2948e+2 6.5698e-2 8.0229e+4 -1.2812e+1 -8.832e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy-Cs
-        Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           22.5771
-	-delta_H	-164.837	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Cs
+        Cs3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 6.934 H2O + 14.533 SiO2
+        log_k 22.5771
+	-delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs
 #	Enthalpy of formation:	-4140.93 kcal/mol
-        -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006
+        -analytic -1.2852e+2 7.9047e-2 7.7262e+4 -1.0422e+1 -9.4504e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy-K
-        K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           24.6865
-	-delta_H	-191.289	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-K
+        K3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 6.934 H2O + 14.533 SiO2
+        log_k 24.6865
+	-delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K
 #	Enthalpy of formation:	-4129.76 kcal/mol
-        -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006
+        -analytic -1.2241e+2 7.4761e-2 7.6067e+4 -1.1315e+1 -9.1389e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy-NH4
-        (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2
-        log_k           -6.8441
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Clinoptilolite-dehy-NH4
+        (NH4)3.467Al3.45Fe.017Si14.533O36 + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 6.934 H2O + 14.533 SiO2
+        log_k -6.8441
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4
 #	Enthalpy of formation:	0 kcal/mol
 
 Clinoptilolite-dehy-Na
-        Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.4987
-	-delta_H	-253.798	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Na
+        Na3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 6.934 H2O + 14.533 SiO2
+        log_k 28.4987
+	-delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na
 #	Enthalpy of formation:	-4104.98 kcal/mol
-        -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006
+        -analytic -1.4386e+2 7.6846e-2 7.8723e+4 -5.9741e+0 -8.9159e+6
 #       -Range:  0-300
 
 Clinoptilolite-dehy-Sr
-        Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2
-        log_k           28.4859
-	-delta_H	-321.553	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-dehy-Sr
+        Sr1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
+        log_k 28.4859
+	-delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr
 #	Enthalpy of formation:	-4117.92 kcal/mol
-        -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006
+        -analytic -1.841e+2 6.0457e-2 8.3626e+4 6.4304e+0 -9.0962e+6
 #       -Range:  0-300
 
 Clinoptilolite-hy-Ca
 #        Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
-        Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O 
-        log_k           -7.0108
-	-delta_H	-65.4496	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Ca
+        Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 18.579 H2O
+        log_k -7.0108
+	-delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca
 #	Enthalpy of formation:	-4971.44 kcal/mol
-        -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006
+        -analytic 8.6833e+1 7.152e-2 4.6854e+4 -7.8023e+1 -7.09e+6
 #       -Range:  0-300
 
 Clinoptilolite-hy-Cs
 #        Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
-        Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 
-        log_k           -13.0621
-	-delta_H	44.6397	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Cs
+        Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 13.164 H2O + 14.533 SiO2
+        log_k -13.0621
+	-delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs
 #	Enthalpy of formation:	-4616.61 kcal/mol
-        -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006
+        -analytic -2.3362e+1 7.4922e-2 5.4544e+4 -4.1092e+1 -8.3387e+6
 #       -Range:  0-300
 
 Clinoptilolite-hy-K
 #        K3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
-        K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 
-        log_k           -10.9523
-	-delta_H	29.5879	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-K
+        K3.467Al3.45Fe.017Si14.533O36:7.499H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.433 H2O + 14.533 SiO2
+        log_k -10.9523
+	-delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K
 #	Enthalpy of formation:	-4694.86 kcal/mol
-        -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006
+        -analytic 1.6223e+1 7.3919e-2 5.0447e+4 -5.279e+1 -7.8484e+6
 #       -Range:  0-300
 
 Clinoptilolite-hy-Na
 #        Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
-        Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+  =  + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O 
-        log_k           -7.1384
-	-delta_H	1.88166	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Na
+        Na3.467Al3.45Fe.017Si14.533O36:10.877H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.811 H2O
+        log_k -7.1384
+	-delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na
 #	Enthalpy of formation:	-4909.18 kcal/mol
-        -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006
+        -analytic -8.4189e+0 7.2018e-2 5.0501e+4 -4.2851e+1 -7.4714e+6
 #       -Range:  0-300
 
 Clinoptilolite-hy-Sr
 #        Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
-        Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+  =  + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O 
-        log_k           -7.1498
-	-delta_H	-31.6858	kJ/mol	# Calculated enthalpy of reaction	Clinoptilolite-hy-Sr
+        Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 20.827 H2O
+        log_k -7.1498
+	-delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr
 #	Enthalpy of formation:	-5136.33 kcal/mol
-        -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006
+        -analytic 1.0742e-1 5.9065e-2 4.9985e+4 -4.4648e+1 -7.3382e+6
 #       -Range:  0-300
 
 Clinozoisite
-        Ca2Al3Si3O12(OH) +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           43.2569
-	-delta_H	-457.755	kJ/mol	# Calculated enthalpy of reaction	Clinozoisite
+        Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+        log_k 43.2569
+	-delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite
 #	Enthalpy of formation:	-1643.78 kcal/mol
-        -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005
+        -analytic -2.869e+1 -3.7056e-2 2.277e+4 3.788e+0 -2.5834e+5
 #       -Range:  0-300
 
 Co
-       Co +2.0000 H+ +0.5000 O2  =  + 1.0000 Co++ + 1.0000 H2O
-        log_k           52.5307
-	-delta_H	-337.929	kJ/mol	# Calculated enthalpy of reaction	Co
+       Co + 2 H+ + 0.5 O2 = Co+2 + H2O
+        log_k 52.5307
+	-delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002
+        -analytic -6.2703e+1 -2.0172e-2 1.8888e+4 2.3391e+1 2.9474e+2
 #       -Range:  0-300
 
 Co(NO3)2
-       Co(NO3)2  =  + 1.0000 Co++ + 2.0000 NO3-
-        log_k           8.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(NO3)2
+       Co(NO3)2 = Co+2 + 2 NO3-
+        log_k 8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Co(OH)2
-       Co(OH)2 +2.0000 H+  =  + 1.0000 Co++ + 2.0000 H2O
-        log_k           12.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co(OH)2
+       Co(OH)2 + 2 H+ = Co+2 + 2 H2O
+        log_k 12.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Co2SiO4
-       Co2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O
-        log_k           6.6808
-	-delta_H	-88.6924	kJ/mol	# Calculated enthalpy of reaction	Co2SiO4
+       Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
+        log_k 6.6808
+	-delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4
 #	Enthalpy of formation:	-353.011 kcal/mol
-        -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005
+        -analytic -3.9978e+0 -3.7985e-3 5.1554e+3 -1.5033e+0 -1.61e+5
 #       -Range:  0-300
 
 Co3(AsO4)2
-       Co3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++
-        log_k           8.5318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(AsO4)2
+       Co3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Co+2
+        log_k 8.5318
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Co3(PO4)2
-       Co3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Co++
-        log_k           -10.0123
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Co3(PO4)2
+       Co3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Co+2
+        log_k -10.0123
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 CoCl2
-       CoCl2  =  + 1.0000 Co++ + 2.0000 Cl-
-        log_k           8.2641
-	-delta_H	-79.5949	kJ/mol	# Calculated enthalpy of reaction	CoCl2
+       CoCl2 = Co+2 + 2 Cl-
+        log_k 8.2641
+	-delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2
 #	Enthalpy of formation:	-312.722 kJ/mol
-        -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002
+        -analytic -2.2386e+2 -8.0936e-2 8.8631e+3 9.1528e+1 1.3837e+2
 #       -Range:  0-300
 
 CoCl2:2H2O
-       CoCl2:2H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           4.6661
-	-delta_H	-40.7876	kJ/mol	# Calculated enthalpy of reaction	CoCl2:2H2O
+       CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
+        log_k 4.6661
+	-delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O
 #	Enthalpy of formation:	-923.206 kJ/mol
-        -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001
+        -analytic -5.6411e+1 -2.339e-2 3.0519e+3 2.3361e+1 5.1845e+1
 #       -Range:  0-200
 
 CoCl2:6H2O
-       CoCl2:6H2O  =  + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           2.6033
-	-delta_H	8.32709	kJ/mol	# Calculated enthalpy of reaction	CoCl2:6H2O
+       CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+        log_k 2.6033
+	-delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O
 #	Enthalpy of formation:	-2115.67 kJ/mol
-        -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001
+        -analytic -1.5066e+2 -2.2132e-2 5.0591e+3 5.7743e+1 8.5962e+1
 #       -Range:  0-200
 
 CoF2
-       CoF2  =  + 1.0000 Co++ + 2.0000 F-
-        log_k           -5.1343
-	-delta_H	-36.6708	kJ/mol	# Calculated enthalpy of reaction	CoF2
+       CoF2 = Co+2 + 2 F-
+        log_k -5.1343
+	-delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2
 #	Enthalpy of formation:	-692.182 kJ/mol
-        -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002
+        -analytic -2.5667e+2 -8.4071e-2 7.6256e+3 1.0143e+2 1.1907e+2
 #       -Range:  0-300
 
 CoF3
-       CoF3  =  + 1.0000 Co+++ + 3.0000 F-
-        log_k           -4.9558
-	-delta_H	-103.136	kJ/mol	# Calculated enthalpy of reaction	CoF3
+       CoF3 = Co+3 + 3 F-
+        log_k -4.9558
+	-delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3
 #	Enthalpy of formation:	-193.8 kcal/mol
-        -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002
+        -analytic -3.7854e+2 -1.2911e-1 1.3215e+4 1.4859e+2 2.0632e+2
 #       -Range:  0-300
 
 CoFe2O4
-       CoFe2O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           0.8729
-	-delta_H	-160.674	kJ/mol	# Calculated enthalpy of reaction	CoFe2O4
+       CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
+        log_k 0.8729
+	-delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4
 #	Enthalpy of formation:	-272.466 kcal/mol
-        -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002
+        -analytic -3.0149e+2 -7.9159e-2 1.5683e+4 1.1046e+2 2.448e+2
 #       -Range:  0-300
 
 CoHPO4
-       CoHPO4  =  + 1.0000 Co++ + 1.0000 HPO4--
-        log_k           -6.7223
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoHPO4
+       CoHPO4 = Co+2 + HPO4-2
+        log_k -6.7223
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4
 #	Enthalpy of formation:	0 kcal/mol
 
 CoO
-       CoO +2.0000 H+  =  + 1.0000 Co++ + 1.0000 H2O
-        log_k           13.5553
-	-delta_H	-106.05	kJ/mol	# Calculated enthalpy of reaction	CoO
+       CoO + 2 H+ = Co+2 + H2O
+        log_k 13.5553
+	-delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO
 #	Enthalpy of formation:	-237.946 kJ/mol
-        -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002
+        -analytic -8.4424e+1 -1.9457e-2 7.8616e+3 3.1281e+1 1.227e+2
 #       -Range:  0-300
 
 CoS
-       CoS +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HS-
-        log_k           -7.3740
-	-delta_H	10.1755	kJ/mol	# Calculated enthalpy of reaction	CoS
+       CoS + H+ = Co+2 + HS-
+        log_k -7.374
+	-delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS
 #	Enthalpy of formation:	-20.182 kcal/mol
-        -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001
+        -analytic -1.5128e+2 -4.8484e-2 2.9553e+3 5.9983e+1 4.6158e+1
 #       -Range:  0-300
 
 CoSO4
-       CoSO4  =  + 1.0000 Co++ + 1.0000 SO4--
-        log_k           2.8996
-	-delta_H	-79.7952	kJ/mol	# Calculated enthalpy of reaction	CoSO4
+       CoSO4 = Co+2 + SO4-2
+        log_k 2.8996
+	-delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4
 #	Enthalpy of formation:	-887.964 kJ/mol
-        -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002
+        -analytic -1.9907e+2 -7.789e-2 7.7193e+3 8.0525e+1 1.2051e+2
 #       -Range:  0-300
 
 CoSO4.3Co(OH)2
-       CoSO4(Co(OH)2)3 +6.0000 H+  =  + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O
-        log_k           33.2193
-	-delta_H	-379.41	kJ/mol	# Calculated enthalpy of reaction	CoSO4.3Co(OH)2
+       CoSO4(Co(OH)2)3 + 6 H+ = SO4-2 + 4 Co+2 + 6 H2O
+        log_k 33.2193
+	-delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2
 #	Enthalpy of formation:	-2477.85 kJ/mol
-        -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002
+        -analytic -2.283e+2 -4.0197e-2 2.5937e+4 7.5367e+1 4.4053e+2
 #       -Range:  0-200
 
 CoSO4:6H2O
-       CoSO4:6H2O  =  + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -2.3512
-	-delta_H	1.08483	kJ/mol	# Calculated enthalpy of reaction	CoSO4:6H2O
+       CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+        log_k -2.3512
+	-delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O
 #	Enthalpy of formation:	-2683.87 kJ/mol
-        -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002
+        -analytic -2.5469e+2 -7.3092e-2 6.6767e+3 1.0172e+2 1.0426e+2
 #       -Range:  0-300
 
 CoSO4:H2O
-       CoSO4:H2O  =  + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4--
-        log_k           -1.2111
-	-delta_H	-52.6556	kJ/mol	# Calculated enthalpy of reaction	CoSO4:H2O
+       CoSO4:H2O = Co+2 + H2O + SO4-2
+        log_k -1.2111
+	-delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O
 #	Enthalpy of formation:	-287.032 kcal/mol
-        -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001
+        -analytic -1.057e+1 -1.6196e-2 1.718e+3 3.4e+0 2.9178e+1
 #       -Range:  0-200
 
 CoSeO3
-       CoSeO3  =  + 1.0000 Co++ + 1.0000 SeO3--
-        log_k           -7.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CoSeO3
+       CoSeO3 = Co+2 + SeO3-2
+        log_k -7.08
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3
 #	Enthalpy of formation:	0 kcal/mol
 
 CoWO4
-       CoWO4  =  + 1.0000 Co++ + 1.0000 WO4--
-        log_k           -12.2779
-	-delta_H	13.6231	kJ/mol	# Calculated enthalpy of reaction	CoWO4
+       CoWO4 = Co+2 + WO4-2
+        log_k -12.2779
+	-delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4
 #	Enthalpy of formation:	-274.256 kcal/mol
-        -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001
+        -analytic -3.7731e+1 -2.4719e-2 -1.0347e+3 1.4663e+1 -1.7558e+1
 #       -Range:  0-200
 
 Coesite
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.1893
-	-delta_H	28.6144	kJ/mol	# Calculated enthalpy of reaction	Coesite
+        SiO2 = SiO2
+        log_k -3.1893
+	-delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite
 #	Enthalpy of formation:	-216.614 kcal/mol
-        -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005
+        -analytic -9.7312e+0 9.1773e-3 4.2143e+3 -7.8065e-1 -7.4905e+5
 #       -Range:  0-300
 
 Coffinite
-        USiO4 +4.0000 H+  =  + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O
-        log_k           -8.0530
-	-delta_H	-49.2493	kJ/mol	# Calculated enthalpy of reaction	Coffinite
+        USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
+        log_k -8.053
+	-delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite
 #	Enthalpy of formation:	-1991.33 kJ/mol
-        -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001
+        -analytic 2.3126e+2 6.2389e-2 -4.6189e+3 -9.7976e+1 -7.8517e+1
 #       -Range:  0-200
 
 Colemanite
-        Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O  =  + 2.0000 Ca++ + 6.0000 B(OH)3
-        log_k           21.5148
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Colemanite
+        Ca2B6O11:5H2O + 4 H+ + 2 H2O = 2 Ca+2 + 6 B(OH)3
+        log_k 21.5148
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite
 #	Enthalpy of formation:	0 kcal/mol
 
 Cordierite_anhyd
-        Mg2Al4Si5O18 +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O
-        log_k           52.3035
-	-delta_H	-626.219	kJ/mol	# Calculated enthalpy of reaction	Cordierite_anhyd
+        Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
+        log_k 52.3035
+	-delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd
 #	Enthalpy of formation:	-2183.2 kcal/mol
-        -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006
+        -analytic 2.6562e+0 -2.3801e-2 3.5192e+4 -1.9911e+1 -1.0894e+6
 #       -Range:  0-300
 
 Cordierite_hydr
-        Mg2Al4Si5O18:H2O +16.0000 H+  =  + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O
-        log_k           49.8235
-	-delta_H	-608.814	kJ/mol	# Calculated enthalpy of reaction	Cordierite_hydr
+        Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
+        log_k 49.8235
+	-delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr
 #	Enthalpy of formation:	-2255.68 kcal/mol
-        -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006
+        -analytic -1.2985e+2 -4.1335e-2 4.1566e+4 2.7892e+1 -1.4819e+6
 #       -Range:  0-300
 
 Corkite
-        PbFe3(PO4)(SO4)(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -9.7951
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Corkite
+        PbFe3(PO4)(SO4)(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Fe+3 + 6 H2O
+        log_k -9.7951
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Corkite
 #	Enthalpy of formation:	0 kcal/mol
 
 Corundum
-        Al2O3 +6.0000 H+  =  + 2.0000 Al+++ + 3.0000 H2O
-        log_k           18.3121
-	-delta_H	-258.626	kJ/mol	# Calculated enthalpy of reaction	Corundum
+        Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+        log_k 18.3121
+	-delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum
 #	Enthalpy of formation:	-400.5 kcal/mol
-        -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002
+        -analytic -1.4278e+2 -7.8519e-2 1.3776e+4 5.5881e+1 2.1501e+2
 #       -Range:  0-300
 
 Cotunnite
-        PbCl2  =  + 1.0000 Pb++ + 2.0000 Cl-
-        log_k           -4.8406
-	-delta_H	26.1441	kJ/mol	# Calculated enthalpy of reaction	Cotunnite
+        PbCl2 = Pb+2 + 2 Cl-
+        log_k -4.8406
+	-delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite
 #	Enthalpy of formation:	-359.383 kJ/mol
-        -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001
+        -analytic 1.9624e+1 -1.9161e-2 -3.4686e+3 -2.8806e+0 -5.8909e+1
 #       -Range:  0-200
 
 Covellite
-        CuS +1.0000 H+  =  + 1.0000 Cu++ + 1.0000 HS-
-        log_k           -22.8310
-	-delta_H	101.88	kJ/mol	# Calculated enthalpy of reaction	Covellite
+        CuS + H+ = Cu+2 + HS-
+        log_k -22.831
+	-delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite
 #	Enthalpy of formation:	-12.5 kcal/mol
-        -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001
+        -analytic -1.6068e+2 -4.904e-2 -1.4234e+3 6.3536e+1 -2.2164e+1
 #       -Range:  0-300
 
 Cr
-       Cr +3.0000 H+ +0.7500 O2  =  + 1.0000 Cr+++ + 1.5000 H2O
-        log_k           98.6784
-	-delta_H	-658.145	kJ/mol	# Calculated enthalpy of reaction	Cr
+       Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
+        log_k 98.6784
+	-delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002
+        -analytic -2.2488e+1 -5.5886e-3 3.4288e+4 3.1585e+0 5.3503e+2
 #       -Range:  0-300
 
 CrCl3
-       CrCl3  =  + 1.0000 Cr+++ + 3.0000 Cl-
-        log_k           17.9728
-	-delta_H	-183.227	kJ/mol	# Calculated enthalpy of reaction	CrCl3
+       CrCl3 = Cr+3 + 3 Cl-
+        log_k 17.9728
+	-delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3
 #	Enthalpy of formation:	-556.5 kJ/mol
-        -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002
+        -analytic -2.6348e+2 -9.5339e-2 1.4785e+4 1.0517e+2 2.3079e+2
 #       -Range:  0-300
 
 CrF3
-       CrF3  =  + 1.0000 Cr+++ + 3.0000 F-
-        log_k           -8.5713
-	-delta_H	-85.5293	kJ/mol	# Calculated enthalpy of reaction	CrF3
+       CrF3 = Cr+3 + 3 F-
+        log_k -8.5713
+	-delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3
 #	Enthalpy of formation:	-277.008 kcal/mol
-        -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002
+        -analytic -3.2175e+2 -1.0279e-1 1.1394e+4 1.2348e+2 1.7789e+2
 #       -Range:  0-300
 
 CrF4
-       CrF4 +2.0000 H2O  =  + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+
-        log_k           -12.3132
-	-delta_H	-35.2125	kJ/mol	# Calculated enthalpy of reaction	CrF4
+       CrF4 + 2 H2O = 0.5 Cr+2 + 0.5 CrO4-2 + 4 F- + 4 H+
+        log_k -12.3132
+	-delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4
 #	Enthalpy of formation:	-298 kcal/mol
-        -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001
+        -analytic 4.3136e+1 -4.3783e-2 -3.6809e+3 -1.2153e+1 -6.2521e+1
 #       -Range:  0-200
 
 CrI3
-       CrI3  =  + 1.0000 Cr+++ + 3.0000 I-
-        log_k           25.6112
-	-delta_H	-204.179	kJ/mol	# Calculated enthalpy of reaction	CrI3
+       CrI3 = Cr+3 + 3 I-
+        log_k 25.6112
+	-delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3
 #	Enthalpy of formation:	-49 kcal/mol
-        -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000
+        -analytic 4.9232e+0 -2.5164e-2 8.4026e+3 0e+0 0e+0
 #       -Range:  0-200
 
 CrO2
-       CrO2  =  + 0.5000 Cr++ + 0.5000 CrO4--
-        log_k           -19.1332
-	-delta_H	85.9812	kJ/mol	# Calculated enthalpy of reaction	CrO2
+       CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
+        log_k -19.1332
+	-delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2
 #	Enthalpy of formation:	-143 kcal/mol
-        -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001
+        -analytic 2.7763e+0 -7.7698e-3 -5.2893e+3 -7.497e-1 -8.9821e+1
 #       -Range:  0-200
 
 CrO3
-       CrO3 +1.0000 H2O  =  + 1.0000 CrO4-- + 2.0000 H+
-        log_k           -3.5221
-	-delta_H	-5.78647	kJ/mol	# Calculated enthalpy of reaction	CrO3
+       CrO3 + H2O = CrO4-2 + 2 H+
+        log_k -3.5221
+	-delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3
 #	Enthalpy of formation:	-140.9 kcal/mol
-        -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001
+        -analytic -1.3262e+2 -6.1411e-2 2.2083e+3 5.6564e+1 3.4497e+1
 #       -Range:  0-300
 
 CrS
-       CrS +1.0000 H+  =  + 1.0000 Cr++ + 1.0000 HS-
-        log_k           -0.6304
-	-delta_H	-26.15	kJ/mol	# Calculated enthalpy of reaction	CrS
+       CrS + H+ = Cr+2 + HS-
+        log_k -0.6304
+	-delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS
 #	Enthalpy of formation:	-31.9 kcal/mol
-        -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001
+        -analytic -1.1134e+2 -3.5954e-2 3.8744e+3 4.3815e+1 6.049e+1
 #       -Range:  0-300
 
 Cristobalite(alpha)
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.4488
-	-delta_H	29.2043	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(alpha)
+        SiO2 = SiO2
+        log_k -3.4488
+	-delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha)
 #	Enthalpy of formation:	-216.755 kcal/mol
-        -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005
+        -analytic -1.1936e+1 9.052e-3 4.3701e+3 -1.1464e-1 -7.6568e+5
 #       -Range:  0-300
 
 Cristobalite(beta)
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.0053
-	-delta_H	24.6856	kJ/mol	# Calculated enthalpy of reaction	Cristobalite(beta)
+        SiO2 = SiO2
+        log_k -3.0053
+	-delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta)
 #	Enthalpy of formation:	-215.675 kcal/mol
-        -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005
+        -analytic -4.7414e+0 9.7567e-3 3.8831e+3 -2.583e+0 -6.9636e+5
 #       -Range:  0-300
 
 Crocoite
-        PbCrO4  =  + 1.0000 CrO4-- + 1.0000 Pb++
-        log_k           -12.7177
-	-delta_H	48.6181	kJ/mol	# Calculated enthalpy of reaction	Crocoite
+        PbCrO4 = CrO4-2 + Pb+2
+        log_k -12.7177
+	-delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite
 #	Enthalpy of formation:	-222 kcal/mol
-        -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001
+        -analytic 3.0842e+1 -1.443e-2 -5.0292e+3 -9.0525e+0 -8.5414e+1
 #       -Range:  0-200
 
 Cronstedtite-7A
-        Fe2Fe2SiO5(OH)4 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O
-        log_k           16.2603
-	-delta_H	-244.266	kJ/mol	# Calculated enthalpy of reaction	Cronstedtite-7A
+        Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
+        log_k 16.2603
+	-delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A
 #	Enthalpy of formation:	-697.413 kcal/mol
-        -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002
+        -analytic -2.3783e+2 -7.1026e-2 1.7752e+4 8.7147e+1 2.7707e+2
 #       -Range:  0-300
 
 Cs
-       Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+
-        log_k           72.5987
-	-delta_H	-397.913	kJ/mol	# Calculated enthalpy of reaction	Cs
+       Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+
+        log_k 72.5987
+	-delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002
+        -analytic -1.2875e+1 -7.3845e-3 2.1019e+4 6.9347e+0 3.2799e+2
 #       -Range:  0-300
 
 Cs2NaAmCl6
-       Cs2NaAmCl6  =  + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl-
-        log_k           11.7089
-	-delta_H	-59.7323	kJ/mol	# Calculated enthalpy of reaction	Cs2NaAmCl6
+       Cs2NaAmCl6 = Am+3 + Na+ + 2 Cs+ + 6 Cl-
+        log_k 11.7089
+	-delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6
 #	Enthalpy of formation:	-2315.8 kJ/mol
-        -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001
+        -analytic 5.1683e+1 -5.034e-2 -2.3205e+3 -6.9536e+0 -3.9422e+1
 #       -Range:  0-200
 
 Cs2U2O7
-       Cs2U2O7 +6.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           31.0263
-	-delta_H	-191.57	kJ/mol	# Calculated enthalpy of reaction	Cs2U2O7
+       Cs2U2O7 + 6 H+ = 2 Cs+ + 2 UO2+2 + 3 H2O
+        log_k 31.0263
+	-delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7
 #	Enthalpy of formation:	-3220 kJ/mol
-        -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005
+        -analytic -5.1436e+1 -7.4096e-3 1.2524e+4 1.7827e+1 -1.2899e+5
 #       -Range:  0-300
 
 Cs2U4O12
-       Cs2U4O12 +8.0000 H+  =  + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O
-        log_k           18.9460
-	-delta_H	-175.862	kJ/mol	# Calculated enthalpy of reaction	Cs2U4O12
+       Cs2U4O12 + 8 H+ = 2 Cs+ + 2 UO2+ + 2 UO2+2 + 4 H2O
+        log_k 18.946
+	-delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12
 #	Enthalpy of formation:	-5571.8 kJ/mol
-        -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004
+        -analytic -3.3411e+1 3.6196e-3 1.0508e+4 6.5823e+0 -2.3403e+4
 #       -Range:  0-300
 
 Cs2UO4
-       Cs2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O
-        log_k           35.8930
-	-delta_H	-178.731	kJ/mol	# Calculated enthalpy of reaction	Cs2UO4
+       Cs2UO4 + 4 H+ = UO2+2 + 2 Cs+ + 2 H2O
+        log_k 35.893
+	-delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4
 #	Enthalpy of formation:	-1928 kJ/mol
-        -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002
+        -analytic -3.095e+1 -3.565e-3 1.069e+4 1.2949e+1 1.6682e+2
 #       -Range:  0-300
 
 Cu
-       Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O
-        log_k           31.5118
-	-delta_H	-214.083	kJ/mol	# Calculated enthalpy of reaction	Cu
+       Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
+        log_k 31.5118
+	-delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002
+        -analytic -7.0719e+1 -2.03e-2 1.2802e+4 2.6401e+1 1.9979e+2
 #       -Range:  0-300
 
 Cu3(PO4)2
-       Cu3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++
-        log_k           -12.2247
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2
+       Cu3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cu+2
+        log_k -12.2247
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Cu3(PO4)2:3H2O
-       Cu3(PO4)2:3H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O
-        log_k           -10.4763
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Cu3(PO4)2:3H2O
+       Cu3(PO4)2:3H2O + 2 H+ = 2 HPO4-2 + 3 Cu+2 + 3 H2O
+        log_k -10.4763
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 CuCl2
-       CuCl2  =  + 1.0000 Cu++ + 2.0000 Cl-
-        log_k           3.7308
-	-delta_H	-48.5965	kJ/mol	# Calculated enthalpy of reaction	CuCl2
+       CuCl2 = Cu+2 + 2 Cl-
+        log_k 3.7308
+	-delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2
 #	Enthalpy of formation:	-219.874 kJ/mol
-        -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001
+        -analytic -1.7803e+1 -2.4432e-2 1.5729e+3 9.5104e+0 2.6716e+1
 #       -Range:  0-200
 
 CuCr2O4
-       CuCr2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           16.2174
-	-delta_H	-268.768	kJ/mol	# Calculated enthalpy of reaction	CuCr2O4
+       CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
+        log_k 16.2174
+	-delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4
 #	Enthalpy of formation:	-307.331 kcal/mol
-        -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002
+        -analytic -1.8199e+2 -1.0254e-2 2.0123e+4 5.4062e+1 3.4178e+2
 #       -Range:  0-200
 
 CuF
-       CuF  =  + 1.0000 Cu+ + 1.0000 F-
-        log_k           7.0800
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF
+       CuF = Cu+ + F-
+        log_k 7.08
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuF
 #	Enthalpy of formation:	0 kcal/mol
 
 CuF2
-       CuF2  =  + 1.0000 Cu++ + 2.0000 F-
-        log_k           -0.6200
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2
+       CuF2 = Cu+2 + 2 F-
+        log_k -0.62
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2
 #	Enthalpy of formation:	0 kcal/mol
 
 CuF2:2H2O
-       CuF2:2H2O  =  + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O
-        log_k           -4.5500
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuF2:2H2O
+       CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+        log_k -4.55
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 CuSeO3
-       CuSeO3  =  + 1.0000 Cu++ + 1.0000 SeO3--
-        log_k           -7.6767
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CuSeO3
+       CuSeO3 = Cu+2 + SeO3-2
+        log_k -7.6767
+	-delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3
 #	Enthalpy of formation:	0 kcal/mol
 
 Cuprite
-        Cu2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Cu+
-        log_k           -1.9031
-	-delta_H	28.355	kJ/mol	# Calculated enthalpy of reaction	Cuprite
+        Cu2O + 2 H+ = H2O + 2 Cu+
+        log_k -1.9031
+	-delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite
 #	Enthalpy of formation:	-40.83 kcal/mol
-        -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001
+        -analytic -8.624e+1 -1.1445e-2 1.7851e+3 3.3041e+1 2.788e+1
 #       -Range:  0-300
 
 Daphnite-14A
-        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
-        log_k           52.2821
-	-delta_H	-517.561	kJ/mol	# Calculated enthalpy of reaction	Daphnite-14A
+        Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+        log_k 52.2821
+	-delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A
 #	Enthalpy of formation:	-1693.04 kcal/mol
-        -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002
+        -analytic -1.5261e+2 -6.1392e-2 2.8283e+4 5.1788e+1 4.4137e+2
 #       -Range:  0-300
 
 Daphnite-7A
-        Fe5AlAlSi3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O
-        log_k           55.6554
-	-delta_H	-532.326	kJ/mol	# Calculated enthalpy of reaction	Daphnite-7A
+        Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
+        log_k 55.6554
+	-delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A
 #	Enthalpy of formation:	-1689.51 kcal/mol
-        -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002
+        -analytic -1.643e+2 -6.316e-2 2.9499e+4 5.6442e+1 4.6035e+2
 #       -Range:  0-300
 
 Dawsonite
-        NaAlCO3(OH)2 +3.0000 H+  =  + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O
-        log_k           4.3464
-	-delta_H	-76.3549	kJ/mol	# Calculated enthalpy of reaction	Dawsonite
+        NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
+        log_k 4.3464
+	-delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite
 #	Enthalpy of formation:	-1963.96 kJ/mol
-        -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002
+        -analytic -1.1393e+2 -2.3487e-2 7.1758e+3 4.09e+1 1.2189e+2
 #       -Range:  0-200
 
 Delafossite
-        CuFeO2 +4.0000 H+  =  + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O
-        log_k           -6.4172
-	-delta_H	-18.6104	kJ/mol	# Calculated enthalpy of reaction	Delafossite
+        CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+        log_k -6.4172
+	-delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite
 #	Enthalpy of formation:	-126.904 kcal/mol
-        -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001
+        -analytic -1.5275e+2 -3.5478e-2 5.1404e+3 5.6437e+1 8.0255e+1
 #       -Range:  0-300
 
 Diaspore
-        AlHO2 +3.0000 H+  =  + 1.0000 Al+++ + 2.0000 H2O
-        log_k           7.1603
-	-delta_H	-110.42	kJ/mol	# Calculated enthalpy of reaction	Diaspore
+        AlHO2 + 3 H+ = Al+3 + 2 H2O
+        log_k 7.1603
+	-delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore
 #	Enthalpy of formation:	-238.924 kcal/mol
-        -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002
+        -analytic -1.2618e+2 -3.1671e-2 8.8737e+3 4.5669e+1 1.385e+2
 #       -Range:  0-300
 
 Dicalcium_silicate
-        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
-        log_k           37.1725
-	-delta_H	-217.642	kJ/mol	# Calculated enthalpy of reaction	Dicalcium_silicate
+        Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+        log_k 37.1725
+	-delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate
 #	Enthalpy of formation:	-2317.9 kJ/mol
-        -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005
+        -analytic -5.9723e+1 -1.3682e-2 1.5461e+4 2.1547e+1 -3.7732e+5
 #       -Range:  0-300
 
 Diopside
-        CaMgSi2O6 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2
-        log_k           20.9643
-	-delta_H	-133.775	kJ/mol	# Calculated enthalpy of reaction	Diopside
+        CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
+        log_k 20.9643
+	-delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside
 #	Enthalpy of formation:	-765.378 kcal/mol
-        -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005
+        -analytic 7.124e+1 1.5514e-2 8.1437e+3 -3.0672e+1 -5.688e+5
 #       -Range:  0-300
 
 Dioptase
-        CuSiO2(OH)2 +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           6.0773
-	-delta_H	-25.2205	kJ/mol	# Calculated enthalpy of reaction	Dioptase
+        CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
+        log_k 6.0773
+	-delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase
 #	Enthalpy of formation:	-1358.47 kJ/mol
-        -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001
+        -analytic 2.3913e+2 6.2669e-2 -5.403e+3 -9.442e+1 -9.1834e+1
 #       -Range:  0-200
 
 Dolomite
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           2.5135
-	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite
+        CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+        log_k 2.5135
+	-delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite
 #	Enthalpy of formation:	-556.631 kcal/mol
-        -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002
+        -analytic -3.1782e+2 -9.8179e-2 1.0845e+4 1.2657e+2 1.6932e+2
 #       -Range:  0-300
 
 Dolomite-dis
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           4.0579
-	-delta_H	-72.2117	kJ/mol	# Calculated enthalpy of reaction	Dolomite-dis
+        CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+        log_k 4.0579
+	-delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis
 #	Enthalpy of formation:	-553.704 kcal/mol
-        -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002
+        -analytic -3.1706e+2 -9.7886e-2 1.1442e+4 1.2604e+2 1.7864e+2
 #       -Range:  0-300
 
 Dolomite-ord
-        CaMg(CO3)2 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3-
-        log_k           2.5135
-	-delta_H	-59.9651	kJ/mol	# Calculated enthalpy of reaction	Dolomite-ord
+        CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
+        log_k 2.5135
+	-delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord
 #	Enthalpy of formation:	-556.631 kcal/mol
-        -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002
+        -analytic -3.1654e+2 -9.7902e-2 1.0805e+4 1.2607e+2 1.687e+2
 #       -Range:  0-300
 
 Downeyite
-        SeO2 +1.0000 H2O  =  + 1.0000 SeO3-- + 2.0000 H+
-        log_k           -6.7503
-	-delta_H	1.74473	kJ/mol	# Calculated enthalpy of reaction	Downeyite
+        SeO2 + H2O = SeO3-2 + 2 H+
+        log_k -6.7503
+	-delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite
 #	Enthalpy of formation:	-53.8 kcal/mol
-        -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001
+        -analytic -1.2868e+2 -6.1183e-2 1.5802e+3 5.449e+1 2.4696e+1
 #       -Range:  0-300
 
 Dy
-       Dy +3.0000 H+ +0.7500 O2  =  + 1.0000 Dy+++ + 1.5000 H2O
-        log_k           180.8306
-	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Dy
+       Dy + 3 H+ + 0.75 O2 = Dy+3 + 1.5 H2O
+        log_k 180.8306
+	-delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002
+        -analytic -6.8317e+1 -2.8321e-2 5.8927e+4 2.4211e+1 9.1953e+2
 #       -Range:  0-300
 
 Dy(OH)3
-       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
-        log_k           15.8852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3
+       Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O
+        log_k 15.8852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Dy(OH)3(am)
-       Dy(OH)3 +3.0000 H+  =  + 1.0000 Dy+++ + 3.0000 H2O
-        log_k           17.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy(OH)3(am)
+       Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O
+        log_k 17.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Dy2(CO3)3
-       Dy2(CO3)3 +3.0000 H+  =  + 2.0000 Dy+++ + 3.0000 HCO3-
-        log_k           -3.0136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2(CO3)3
+       Dy2(CO3)3 + 3 H+ = 2 Dy+3 + 3 HCO3-
+        log_k -3.0136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Dy2O3
-       Dy2O3 +6.0000 H+  =  + 2.0000 Dy+++ + 3.0000 H2O
-        log_k           47.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Dy2O3
+       Dy2O3 + 6 H+ = 2 Dy+3 + 3 H2O
+        log_k 47
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 DyF3:.5H2O
-       DyF3:.5H2O  =  + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F-
-        log_k           -16.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyF3:.5H2O
+       DyF3:.5H2O = 0.5 H2O + Dy+3 + 3 F-
+        log_k -16.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 DyPO4:10H2O
-       DyPO4:10H2O +1.0000 H+  =  + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	DyPO4:10H2O
+       DyPO4:10H2O + H+ = Dy+3 + HPO4-2 + 10 H2O
+        log_k -11.9782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Enstatite
-        MgSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2
-        log_k           11.3269
-	-delta_H	-82.7302	kJ/mol	# Calculated enthalpy of reaction	Enstatite
+        MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
+        log_k 11.3269
+	-delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite
 #	Enthalpy of formation:	-369.686 kcal/mol
-        -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005
+        -analytic -4.9278e+1 -3.2832e-3 9.5205e+3 1.4437e+1 -5.4324e+5
 #       -Range:  0-300
 
 Epidote
-        Ca2FeAl2Si3O12OH +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           32.9296
-	-delta_H	-386.451	kJ/mol	# Calculated enthalpy of reaction	Epidote
+        Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+        log_k 32.9296
+	-delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote
 #	Enthalpy of formation:	-1543.99 kcal/mol
-        -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005
+        -analytic -2.6187e+1 -3.6436e-2 1.9351e+4 3.3671e+0 -3.0319e+5
 #       -Range:  0-300
 
 Epidote-ord
-        FeCa2Al2(OH)(SiO4)3 +13.0000 H+  =  + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           32.9296
-	-delta_H	-386.351	kJ/mol	# Calculated enthalpy of reaction	Epidote-ord
+        FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
+        log_k 32.9296
+	-delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord
 #	Enthalpy of formation:	-1544.02 kcal/mol
-        -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002
+        -analytic 1.9379e+1 -3.287e-2 1.5692e+4 -1.1901e+1 2.4485e+2
 #       -Range:  0-300
 
 Epsomite
-        MgSO4:7H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -1.9623
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Epsomite
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+        log_k -1.9623
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite
 #	Enthalpy of formation:	0 kcal/mol
 
 Er
-       Er +3.0000 H+ +0.7500 O2  =  + 1.0000 Er+++ + 1.5000 H2O
-        log_k           181.7102
-	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Er
+       Er + 3 H+ + 0.75 O2 = Er+3 + 1.5 H2O
+        log_k 181.7102
+	-delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005
+        -analytic -1.4459e+2 -3.8221e-2 6.4073e+4 5.1047e+1 -3.1503e+5
 #       -Range:  0-300
 
 Er(OH)3
-       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
-        log_k           14.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3
+       Er(OH)3 + 3 H+ = Er+3 + 3 H2O
+        log_k 14.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Er(OH)3(am)
-       Er(OH)3 +3.0000 H+  =  + 1.0000 Er+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er(OH)3(am)
+       Er(OH)3 + 3 H+ = Er+3 + 3 H2O
+        log_k 18.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Er2(CO3)3
-       Er2(CO3)3 +3.0000 H+  =  + 2.0000 Er+++ + 3.0000 HCO3-
-        log_k           -2.6136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2(CO3)3
+       Er2(CO3)3 + 3 H+ = 2 Er+3 + 3 HCO3-
+        log_k -2.6136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Er2O3
-       Er2O3 +6.0000 H+  =  + 2.0000 Er+++ + 3.0000 H2O
-        log_k           42.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Er2O3
+       Er2O3 + 6 H+ = 2 Er+3 + 3 H2O
+        log_k 42.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 ErF3:.5H2O
-       ErF3:.5H2O  =  + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F-
-        log_k           -16.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErF3:.5H2O
+       ErF3:.5H2O = 0.5 H2O + Er+3 + 3 F-
+        log_k -16.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 ErPO4:10H2O
-       ErPO4:10H2O +1.0000 H+  =  + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ErPO4:10H2O
+       ErPO4:10H2O + H+ = Er+3 + HPO4-2 + 10 H2O
+        log_k -11.8782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Erythrite
-        Co3(AsO4)2:8H2O +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O
-        log_k           6.3930
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Erythrite
+        Co3(AsO4)2:8H2O + 4 H+ = 2 H2AsO4- + 3 Co+2 + 8 H2O
+        log_k 6.393
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite
 #	Enthalpy of formation:	0 kcal/mol
 
 Eskolaite
-        Cr2O3 +2.0000 H2O +1.5000 O2  =  + 2.0000 CrO4-- + 4.0000 H+
-        log_k           -9.1306
-	-delta_H	-32.6877	kJ/mol	# Calculated enthalpy of reaction	Eskolaite
+        Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
+        log_k -9.1306
+	-delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite
 #	Enthalpy of formation:	-1139.74 kJ/mol
-        -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001
+        -analytic -2.0411e+2 -1.2809e-1 2.2197e+3 9.1186e+1 3.4697e+1
 #       -Range:  0-300
 
 Ettringite
-        Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O
-        log_k           62.5362
-	-delta_H	-382.451	kJ/mol	# Calculated enthalpy of reaction	Ettringite
+        Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
+        log_k 62.5362
+	-delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite
 #	Enthalpy of formation:	-4193 kcal/mol
-        -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003
+        -analytic -1.0576e+3 -1.1585e-1 5.958e+4 3.8585e+2 1.0121e+3
 #       -Range:  0-200
 
 Eu
-       Eu +3.0000 H+ +0.7500 O2  =  + 1.0000 Eu+++ + 1.5000 H2O
-        log_k           165.1443
-	-delta_H	-1025.08	kJ/mol	# Calculated enthalpy of reaction	Eu
+       Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
+        log_k 165.1443
+	-delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002
+        -analytic -6.5749e+1 -2.8921e-2 5.4018e+4 2.3561e+1 8.4292e+2
 #       -Range:  0-300
 
 Eu(IO3)3:2H2O
-       Eu(IO3)3:2H2O  =  + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3-
-        log_k           -11.6999
-	-delta_H	20.8847	kJ/mol	# Calculated enthalpy of reaction	Eu(IO3)3:2H2O
+       Eu(IO3)3:2H2O = Eu+3 + 2 H2O + 3 IO3-
+        log_k -11.6999
+	-delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O
 #	Enthalpy of formation:	-1861.99 kJ/mol
-        -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001
+        -analytic -3.4616e+1 -1.9914e-2 -1.1966e+3 1.3276e+1 -2.0308e+1
 #       -Range:  0-200
 
 Eu(NO3)3:6H2O
-       Eu(NO3)3:6H2O  =  + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O
-        log_k           1.3082
-	-delta_H	15.2254	kJ/mol	# Calculated enthalpy of reaction	Eu(NO3)3:6H2O
+       Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O
+        log_k 1.3082
+	-delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O
 #	Enthalpy of formation:	-2956.11 kJ/mol
-        -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001
+        -analytic -1.3205e+2 -2.0427e-2 3.9623e+3 5.0976e+1 6.7332e+1
 #       -Range:  0-200
 
 Eu(OH)2.5Cl.5
-       Eu(OH)2.5Cl.5 +2.5000 H+  =  + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O
-        log_k           12.5546
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2.5Cl.5
+       Eu(OH)2.5Cl.5 + 2.5 H+ = 0.5 Cl- + Eu+3 + 2.5 H2O
+        log_k 12.5546
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5
 #	Enthalpy of formation:	0 kcal/mol
 
 Eu(OH)2Cl
-       Eu(OH)2Cl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O
-        log_k           8.7974
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Eu(OH)2Cl
+       Eu(OH)2Cl + 2 H+ = Cl- + Eu+3 + 2 H2O
+        log_k 8.7974
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl
 #	Enthalpy of formation:	0 kcal/mol
 
 Eu(OH)3
-       Eu(OH)3 +3.0000 H+  =  + 1.0000 Eu+++ + 3.0000 H2O
-        log_k           15.3482
-	-delta_H	-126.897	kJ/mol	# Calculated enthalpy of reaction	Eu(OH)3
+       Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
+        log_k 15.3482
+	-delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3
 #	Enthalpy of formation:	-1336.04 kJ/mol
-        -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002
+        -analytic -6.3077e+1 -6.1421e-3 8.7323e+3 2.0595e+1 1.4831e+2
 #       -Range:  0-200
 
 Eu2(CO3)3:3H2O
-       Eu2(CO3)3:3H2O +3.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3-
-        log_k           -5.8707
-	-delta_H	-137.512	kJ/mol	# Calculated enthalpy of reaction	Eu2(CO3)3:3H2O
+       Eu2(CO3)3:3H2O + 3 H+ = 2 Eu+3 + 3 H2O + 3 HCO3-
+        log_k -5.8707
+	-delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O
 #	Enthalpy of formation:	-4000.65 kJ/mol
-        -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002
+        -analytic -1.4134e+2 -4.024e-2 9.5883e+3 4.6591e+1 1.6287e+2
 #       -Range:  0-200
 
 Eu2(SO4)3:8H2O
-       Eu2(SO4)3:8H2O  =  + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O
-        log_k           -10.8524
-	-delta_H	-86.59	kJ/mol	# Calculated enthalpy of reaction	Eu2(SO4)3:8H2O
+       Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
+        log_k -10.8524
+	-delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O
 #	Enthalpy of formation:	-6139.77 kJ/mol
-        -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001
+        -analytic -5.6582e+1 -3.8846e-2 3.3821e+3 1.8561e+1 5.7452e+1
 #       -Range:  0-200
 
 Eu2O3(cubic)
-       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
-        log_k           51.7818
-	-delta_H	-406.403	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(cubic)
+       Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+        log_k 51.7818
+	-delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic)
 #	Enthalpy of formation:	-1661.96 kJ/mol
-        -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002
+        -analytic -5.3469e+1 -1.2554e-2 2.1925e+4 1.4324e+1 3.7233e+2
 #       -Range:  0-200
 
 Eu2O3(monoclinic)
-       Eu2O3 +6.0000 H+  =  + 2.0000 Eu+++ + 3.0000 H2O
-        log_k           53.3936
-	-delta_H	-417.481	kJ/mol	# Calculated enthalpy of reaction	Eu2O3(monoclinic)
+       Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
+        log_k 53.3936
+	-delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic)
 #	Enthalpy of formation:	-1650.88 kJ/mol
-        -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002
+        -analytic -5.4022e+1 -1.2627e-2 2.2508e+4 1.4416e+1 3.8224e+2
 #       -Range:  0-200
 
 Eu3O4
-       Eu3O4 +8.0000 H+  =  + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O
-        log_k           87.0369
-	-delta_H	-611.249	kJ/mol	# Calculated enthalpy of reaction	Eu3O4
+       Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
+        log_k 87.0369
+	-delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4
 #	Enthalpy of formation:	-2270.56 kJ/mol
-        -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002
+        -analytic -1.1829e+2 -2.0354e-2 3.4981e+4 3.8007e+1 5.9407e+2
 #       -Range:  0-200
 
 EuBr3
-       EuBr3  =  + 1.0000 Eu+++ + 3.0000 Br-
-        log_k           29.8934
-	-delta_H	-217.166	kJ/mol	# Calculated enthalpy of reaction	EuBr3
+       EuBr3 = Eu+3 + 3 Br-
+        log_k 29.8934
+	-delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3
 #	Enthalpy of formation:	-752.769 kJ/mol
-        -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002
+        -analytic 6.0207e+1 -2.5234e-2 6.6823e+3 -1.8276e+1 1.1345e+2
 #       -Range:  0-200
 
 EuCl2
-       EuCl2  =  + 1.0000 Eu++ + 2.0000 Cl-
-        log_k           5.9230
-	-delta_H	-39.2617	kJ/mol	# Calculated enthalpy of reaction	EuCl2
+       EuCl2 = Eu+2 + 2 Cl-
+        log_k 5.923
+	-delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2
 #	Enthalpy of formation:	-822.5 kJ/mol
-        -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001
+        -analytic -2.5741e+1 -2.4956e-2 1.5713e+3 1.367e+1 2.6691e+1
 #       -Range:  0-200
 
 EuCl3
-       EuCl3  =  + 1.0000 Eu+++ + 3.0000 Cl-
-        log_k           19.7149
-	-delta_H	-170.861	kJ/mol	# Calculated enthalpy of reaction	EuCl3
+       EuCl3 = Eu+3 + 3 Cl-
+        log_k 19.7149
+	-delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3
 #	Enthalpy of formation:	-935.803 kJ/mol
-        -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001
+        -analytic 3.2865e+1 -3.1877e-2 4.9792e+3 -8.2294e+0 8.4542e+1
 #       -Range:  0-200
 
 EuCl3:6H2O
-       EuCl3:6H2O  =  + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O
-        log_k           4.9090
-	-delta_H	-40.0288	kJ/mol	# Calculated enthalpy of reaction	EuCl3:6H2O
+       EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
+        log_k 4.909
+	-delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O
 #	Enthalpy of formation:	-2781.66 kJ/mol
-        -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001
+        -analytic -1.0987e+2 -2.9851e-2 4.9991e+3 4.3198e+1 8.493e+1
 #       -Range:  0-200
 
 EuF3:0.5H2O
-       EuF3:0.5H2O  =  + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F-
-        log_k           -16.4847
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuF3:0.5H2O
+       EuF3:0.5H2O = 0.5 H2O + Eu+3 + 3 F-
+        log_k -16.4847
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 EuO
-       EuO +2.0000 H+  =  + 1.0000 Eu++ + 1.0000 H2O
-        log_k           37.4800
-	-delta_H	-221.196	kJ/mol	# Calculated enthalpy of reaction	EuO
+       EuO + 2 H+ = Eu+2 + H2O
+        log_k 37.48
+	-delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO
 #	Enthalpy of formation:	-592.245 kJ/mol
-        -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002
+        -analytic -8.9517e+1 -1.7523e-2 1.4385e+4 3.3933e+1 2.2449e+2
 #       -Range:  0-300
 
 EuOCl
-       EuOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O
-        log_k           15.6683
-	-delta_H	-147.173	kJ/mol	# Calculated enthalpy of reaction	EuOCl
+       EuOCl + 2 H+ = Cl- + Eu+3 + H2O
+        log_k 15.6683
+	-delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl
 #	Enthalpy of formation:	-911.17 kJ/mol
-        -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002
+        -analytic -7.7446e+0 -1.496e-2 6.6242e+3 2.2813e+0 1.1249e+2
 #       -Range:  0-200
 
 EuOHCO3
-       EuOHCO3 +2.0000 H+  =  + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           2.5239
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuOHCO3
+       EuOHCO3 + 2 H+ = Eu+3 + H2O + HCO3-
+        log_k 2.5239
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
 #	Enthalpy of formation:	0 kcal/mol
 
 EuPO4:10H2O
-       EuPO4:10H2O +1.0000 H+  =  + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -12.0782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	EuPO4:10H2O
+       EuPO4:10H2O + H+ = Eu+3 + HPO4-2 + 10 H2O
+        log_k -12.0782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 EuS
-       EuS +1.0000 H+  =  + 1.0000 Eu++ + 1.0000 HS-
-        log_k           14.9068
-	-delta_H	-96.4088	kJ/mol	# Calculated enthalpy of reaction	EuS
+       EuS + H+ = Eu+2 + HS-
+        log_k 14.9068
+	-delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS
 #	Enthalpy of formation:	-447.302 kJ/mol
-        -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001
+        -analytic -4.1026e+1 -1.5582e-2 5.7842e+3 1.6639e+1 9.8238e+1
 #       -Range:  0-200
 
 EuSO4
-       EuSO4  =  + 1.0000 Eu++ + 1.0000 SO4--
-        log_k           -8.8449
-	-delta_H	33.873	kJ/mol	# Calculated enthalpy of reaction	EuSO4
+       EuSO4 = Eu+2 + SO4-2
+        log_k -8.8449
+	-delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4
 #	Enthalpy of formation:	-1471.08 kJ/mol
-        -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001
+        -analytic 3.0262e-1 -1.7571e-2 -3.0392e+3 2.5356e+0 -5.161e+1
 #       -Range:  0-200
 
 Eucryptite
-        LiAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           13.6106
-	-delta_H	-141.818	kJ/mol	# Calculated enthalpy of reaction	Eucryptite
+        LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
+        log_k 13.6106
+	-delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite
 #	Enthalpy of formation:	-2124.41 kJ/mol
-        -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002
+        -analytic -2.2213e+0 -8.2498e-3 6.4838e+3 -1.4183e+0 1.0117e+2
 #       -Range:  0-300
 
 Fayalite
-        Fe2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O
-        log_k           19.1113
-	-delta_H	-152.256	kJ/mol	# Calculated enthalpy of reaction	Fayalite
+        Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
+        log_k 19.1113
+	-delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite
 #	Enthalpy of formation:	-354.119 kcal/mol
-        -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004
+        -analytic 1.3853e+1 -3.5501e-3 7.1496e+3 -6.871e+0 -6.331e+4
 #       -Range:  0-300
 
 Fe
-       Fe +2.0000 H+ +0.5000 O2  =  + 1.0000 Fe++ + 1.0000 H2O
-        log_k           59.0325
-	-delta_H	-372.029	kJ/mol	# Calculated enthalpy of reaction	Fe
+       Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
+        log_k 59.0325
+	-delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002
+        -analytic -6.2882e+1 -2.0379e-2 2.069e+4 2.3673e+1 3.2287e+2
 #       -Range:  0-300
 
 Fe(OH)2
-       Fe(OH)2 +2.0000 H+  =  + 1.0000 Fe++ + 2.0000 H2O
-        log_k           13.9045
-	-delta_H	-95.4089	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)2
+       Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
+        log_k 13.9045
+	-delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2
 #	Enthalpy of formation:	-568.525 kJ/mol
-        -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002
+        -analytic -8.6666e+1 -1.844e-2 7.5723e+3 3.2597e+1 1.1818e+2
 #       -Range:  0-300
 
 Fe(OH)3
-       Fe(OH)3 +3.0000 H+  =  + 1.0000 Fe+++ + 3.0000 H2O
-        log_k           5.6556
-	-delta_H	-84.0824	kJ/mol	# Calculated enthalpy of reaction	Fe(OH)3
+       Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+        log_k 5.6556
+	-delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3
 #	Enthalpy of formation:	-823.013 kJ/mol
-        -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002
+        -analytic -1.3316e+2 -3.1284e-2 7.9753e+3 4.9052e+1 1.2449e+2
 #       -Range:  0-300
 
 Fe2(SO4)3
-       Fe2(SO4)3  =  + 2.0000 Fe+++ + 3.0000 SO4--
-        log_k           3.2058
-	-delta_H	-250.806	kJ/mol	# Calculated enthalpy of reaction	Fe2(SO4)3
+       Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+        log_k 3.2058
+	-delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3
 #	Enthalpy of formation:	-2577.16 kJ/mol
-        -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002
+        -analytic -5.8649e+2 -2.3718e-1 2.2736e+4 2.3601e+2 3.5495e+2
 #       -Range:  0-300
 
 FeF2
-       FeF2  =  + 1.0000 Fe++ + 2.0000 F-
-        log_k           -2.3817
-	-delta_H	-51.6924	kJ/mol	# Calculated enthalpy of reaction	FeF2
+       FeF2 = Fe+2 + 2 F-
+        log_k -2.3817
+	-delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2
 #	Enthalpy of formation:	-711.26 kJ/mol
-        -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002
+        -analytic -2.5687e+2 -8.4091e-2 8.4262e+3 1.0154e+2 1.3156e+2
 #       -Range:  0-300
 
 FeF3
-       FeF3  =  + 1.0000 Fe+++ + 3.0000 F-
-        log_k           -19.2388
-	-delta_H	-13.8072	kJ/mol	# Calculated enthalpy of reaction	FeF3
+       FeF3 = Fe+3 + 3 F-
+        log_k -19.2388
+	-delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3
 #	Enthalpy of formation:	-249 kcal/mol
-        -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001
+        -analytic -1.6215e+1 -3.745e-2 -1.8926e+3 5.8485e+0 -3.2134e+1
 #       -Range:  0-200
 
 FeO
-       FeO +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O
-        log_k           13.5318
-	-delta_H	-106.052	kJ/mol	# Calculated enthalpy of reaction	FeO
+       FeO + 2 H+ = Fe+2 + H2O
+        log_k 13.5318
+	-delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO
 #	Enthalpy of formation:	-65.02 kcal/mol
-        -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002
+        -analytic -7.875e+1 -1.8268e-2 7.6852e+3 2.9074e+1 1.1994e+2
 #       -Range:  0-300
 
 FeSO4
-       FeSO4  =  + 1.0000 Fe++ + 1.0000 SO4--
-        log_k           2.6565
-	-delta_H	-73.0878	kJ/mol	# Calculated enthalpy of reaction	FeSO4
+       FeSO4 = Fe+2 + SO4-2
+        log_k 2.6565
+	-delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4
 #	Enthalpy of formation:	-928.771 kJ/mol
-        -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002
+        -analytic -2.0794e+2 -7.6891e-2 7.8705e+3 8.3685e+1 1.2287e+2
 #       -Range:  0-300
 
 FeV2O4
-       FeV2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O
-        log_k           280.5528
-	-delta_H	-1733.42	kJ/mol	# Calculated enthalpy of reaction	FeV2O4
+       FeV2O4 + 8 H+ = Fe+2 + 2 V+3 + 4 H2O
+        log_k 280.5528
+	-delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4
 #	Enthalpy of formation:	-5.8 kcal/mol
-        -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003
+        -analytic -1.6736e+2 -1.9398e-2 9.5736e+4 5.3582e+1 1.6258e+3
 #       -Range:  0-200
 
 Ferrite-Ca
-        CaFe2O4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           21.5217
-	-delta_H	-264.738	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Ca
+        CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
+        log_k 21.5217
+	-delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca
 #	Enthalpy of formation:	-363.494 kcal/mol
-        -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002
+        -analytic -2.8472e+2 -7.587e-2 2.0688e+4 1.0485e+2 3.2289e+2
 #       -Range:  0-300
 
 Ferrite-Cu
-        CuFe2O4 +8.0000 H+  =  + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           10.3160
-	-delta_H	-211.647	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Cu
+        CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+        log_k 10.316
+	-delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu
 #	Enthalpy of formation:	-965.178 kJ/mol
-        -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002
+        -analytic -3.1271e+2 -7.9976e-2 1.8818e+4 1.1466e+2 2.9374e+2
 #       -Range:  0-300
 
 Ferrite-Dicalcium
-        Ca2Fe2O5 +10.0000 H+  =  + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O
-        log_k           56.8331
-	-delta_H	-475.261	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Dicalcium
+        Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
+        log_k 56.8331
+	-delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium
 #	Enthalpy of formation:	-2139.26 kJ/mol
-        -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002
+        -analytic -3.6277e+2 -9.5015e-2 3.3898e+4 1.3506e+2 5.2906e+2
 #       -Range:  0-300
 
 Ferrite-Mg
-        MgFe2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           21.0551
-	-delta_H	-280.056	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Mg
+        MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+        log_k 21.0551
+	-delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg
 #	Enthalpy of formation:	-1428.42 kJ/mol
-        -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002
+        -analytic -2.8297e+2 -7.482e-2 2.1333e+4 1.0295e+2 3.3296e+2
 #       -Range:  0-300
 
 Ferrite-Zn
-        ZnFe2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           11.7342
-	-delta_H	-226.609	kJ/mol	# Calculated enthalpy of reaction	Ferrite-Zn
+        ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
+        log_k 11.7342
+	-delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn
 #	Enthalpy of formation:	-1169.29 kJ/mol
-        -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002
+        -analytic -2.9809e+2 -7.7263e-2 1.9067e+4 1.0866e+2 2.9761e+2
 #       -Range:  0-300
 
 Ferroselite
-        FeSe2 +0.5000 H2O  =  + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se--
-        log_k           -80.7998
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ferroselite
+        FeSe2 + 0.5 H2O = 0.25 O2 + Fe+3 + H+ + 2 Se-2
+        log_k -80.7998
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite
 #	Enthalpy of formation:	-25 kcal/mol
-        -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002
+        -analytic -7.2971e+1 -2.4992e-2 -1.6246e+4 2.186e+1 -2.5348e+2
 #       -Range:  0-300
 
 Ferrosilite
-        FeSiO3 +2.0000 H+  =  + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           7.4471
-	-delta_H	-60.6011	kJ/mol	# Calculated enthalpy of reaction	Ferrosilite
+        FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
+        log_k 7.4471
+	-delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite
 #	Enthalpy of formation:	-285.658 kcal/mol
-        -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005
+        -analytic 9.0041e+0 3.7917e-3 5.1625e+3 -6.3009e+0 -3.9565e+5
 #       -Range:  0-300
 
 Fluorapatite
-        Ca5(PO4)3F +3.0000 H+  =  + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++
-        log_k           -24.9940
-	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
+        Ca5(PO4)3F + 3 H+ = F- + 3 HPO4-2 + 5 Ca+2
+        log_k -24.994
+	-delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite
 #	Enthalpy of formation:	-6836.12 kJ/mol
-        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
+        -analytic -9.3648e+2 -3.2688e-1 2.4398e+4 3.7461e+2 3.8098e+2
 #       -Range:  0-300
 
 Fluorite
-        CaF2  =  + 1.0000 Ca++ + 2.0000 F-
-        log_k           -10.0370
-	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
+        CaF2 = Ca+2 + 2 F-
+        log_k -10.037
+	-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite
 #	Enthalpy of formation:	-293 kcal/mol
-        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
+        -analytic -2.5036e+2 -8.4183e-2 4.9525e+3 1.0054e+2 7.7353e+1
 #       -Range:  0-300
 
 Forsterite
-        Mg2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++
-        log_k           27.8626
-	-delta_H	-205.614	kJ/mol	# Calculated enthalpy of reaction	Forsterite
+        Mg2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mg+2
+        log_k 27.8626
+	-delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite
 #	Enthalpy of formation:	-520 kcal/mol
-        -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005
+        -analytic -7.6195e+1 -1.4013e-2 1.4763e+4 2.509e+1 -3.0379e+5
 #       -Range:  0-300
 
 Foshagite
-        Ca4Si3O9(OH)2:0.5H2O +8.0000 H+  =  + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O
-        log_k           65.9210
-	-delta_H	-359.839	kJ/mol	# Calculated enthalpy of reaction	Foshagite
+        Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
+        log_k 65.921
+	-delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite
 #	Enthalpy of formation:	-1438.27 kcal/mol
-        -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005
+        -analytic 2.9983e+1 5.5272e-3 2.3427e+4 -1.3879e+1 -8.9461e+5
 #       -Range:  0-300
 
 Frankdicksonite
-        BaF2  =  + 1.0000 Ba++ + 2.0000 F-
-        log_k           -5.7600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Frankdicksonite
+        BaF2 = Ba+2 + 2 F-
+        log_k -5.76
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite
 #	Enthalpy of formation:	0 kcal/mol
 
 Freboldite
-        CoSe  =  + 1.0000 Co++ + 1.0000 Se--
-        log_k           -24.3358
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Freboldite
+        CoSe = Co+2 + Se-2
+        log_k -24.3358
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite
 #	Enthalpy of formation:	-15.295 kcal/mol
-        -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001
+        -analytic -1.3763e+1 -1.6924e-3 -3.6938e+3 9.3574e-1 -6.2723e+1
 #       -Range:  0-200
 
 Ga
-       Ga +3.0000 H+ +0.7500 O2  =  + 1.0000 Ga+++ + 1.5000 H2O
-        log_k           92.3567
-	-delta_H	-631.368	kJ/mol	# Calculated enthalpy of reaction	Ga
+       Ga + 3 H+ + 0.75 O2 = Ga+3 + 1.5 H2O
+        log_k 92.3567
+	-delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004
+        -analytic -1.3027e+2 -3.9539e-2 3.6027e+4 4.628e+1 -8.5461e+4
 #       -Range:  0-300
 
 Galena
-        PbS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Pb++
-        log_k           -14.8544
-	-delta_H	83.1361	kJ/mol	# Calculated enthalpy of reaction	Galena
+        PbS + H+ = HS- + Pb+2
+        log_k -14.8544
+	-delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena
 #	Enthalpy of formation:	-23.5 kcal/mol
-        -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001
+        -analytic -1.2124e+2 -4.3477e-2 -1.6463e+3 5.0454e+1 -2.5654e+1
 #       -Range:  0-300
 
 Gaylussite
-        CaNa2(CO3)2:5H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O
-        log_k           11.1641
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gaylussite
+        CaNa2(CO3)2:5H2O + 2 H+ = Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O
+        log_k 11.1641
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite
 #	Enthalpy of formation:	0 kcal/mol
 
 Gd
-       Gd +3.0000 H+ +0.7500 O2  =  + 1.0000 Gd+++ + 1.5000 H2O
-        log_k           180.7573
-	-delta_H	-1106.67	kJ/mol	# Calculated enthalpy of reaction	Gd
+       Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
+        log_k 180.7573
+	-delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005
+        -analytic -3.3949e+2 -6.5698e-2 7.4278e+4 1.2189e+2 -9.7055e+5
 #       -Range:  0-300
 
 Gd(OH)3
-       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
-        log_k           15.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3
+       Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O
+        log_k 15.5852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Gd(OH)3(am)
-       Gd(OH)3 +3.0000 H+  =  + 1.0000 Gd+++ + 3.0000 H2O
-        log_k           17.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd(OH)3(am)
+       Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O
+        log_k 17.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Gd2(CO3)3
-       Gd2(CO3)3 +3.0000 H+  =  + 2.0000 Gd+++ + 3.0000 HCO3-
-        log_k           -3.7136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2(CO3)3
+       Gd2(CO3)3 + 3 H+ = 2 Gd+3 + 3 HCO3-
+        log_k -3.7136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Gd2O3
-       Gd2O3 +6.0000 H+  =  + 2.0000 Gd+++ + 3.0000 H2O
-        log_k           53.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gd2O3
+       Gd2O3 + 6 H+ = 2 Gd+3 + 3 H2O
+        log_k 53.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 GdF3:.5H2O
-       GdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F-
-        log_k           -16.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdF3:.5H2O
+       GdF3:.5H2O = 0.5 H2O + Gd+3 + 3 F-
+        log_k -16.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 GdPO4:10H2O
-       GdPO4:10H2O +1.0000 H+  =  + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	GdPO4:10H2O
+       GdPO4:10H2O + H+ = Gd+3 + HPO4-2 + 10 H2O
+        log_k -11.9782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Gehlenite
-        Ca2Al2SiO7 +10.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O
-        log_k           56.2997
-	-delta_H	-489.934	kJ/mol	# Calculated enthalpy of reaction	Gehlenite
+        Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
+        log_k 56.2997
+	-delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite
 #	Enthalpy of formation:	-951.225 kcal/mol
-        -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002
+        -analytic -2.1784e+2 -6.72e-2 2.9779e+4 7.8488e+1 4.6473e+2
 #       -Range:  0-300
 
 Gibbsite
-        Al(OH)3 +3.0000 H+  =  + 1.0000 Al+++ + 3.0000 H2O
-        log_k           7.7560
-	-delta_H	-102.788	kJ/mol	# Calculated enthalpy of reaction	Gibbsite
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 7.756
+	-delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite
 #	Enthalpy of formation:	-309.065 kcal/mol
-        -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002
+        -analytic -1.1403e+2 -3.6453e-2 7.7236e+3 4.3134e+1 1.2055e+2
 #       -Range:  0-300
 
 Gismondine
-        Ca2Al4Si4O16:9H2O +16.0000 H+  =  + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O
-        log_k           41.7170
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Gismondine
+        Ca2Al4Si4O16:9H2O + 16 H+ = 2 Ca+2 + 4 Al+3 + 4 SiO2 + 17 H2O
+        log_k 41.717
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine
 #	Enthalpy of formation:	0 kcal/mol
 
 Glauberite
-        Na2Ca(SO4)2  =  + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4--
-        log_k           -5.4690
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Glauberite
+        Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2
+        log_k -5.469
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite
 #	Enthalpy of formation:	0 kcal/mol
 
 Goethite
-        FeOOH +3.0000 H+  =  + 1.0000 Fe+++ + 2.0000 H2O
-        log_k           0.5345
-	-delta_H	-61.9291	kJ/mol	# Calculated enthalpy of reaction	Goethite
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k 0.5345
+	-delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite
 #	Enthalpy of formation:	-559.328 kJ/mol
-        -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001
+        -analytic -6.0331e+1 -1.0847e-2 4.7759e+3 1.9429e+1 8.1122e+1
 #       -Range:  0-200
 
 Greenalite
-        Fe3Si2O5(OH)4 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O
-        log_k           22.6701
-	-delta_H	-165.297	kJ/mol	# Calculated enthalpy of reaction	Greenalite
+        Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
+        log_k 22.6701
+	-delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite
 #	Enthalpy of formation:	-787.778 kcal/mol
-        -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005
+        -analytic -1.4187e+1 -3.8377e-3 1.171e+4 1.6442e+0 -4.829e+5
 #       -Range:  0-300
 
 Grossular
-        Ca3Al2(SiO4)3 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           51.9228
-	-delta_H	-432.006	kJ/mol	# Calculated enthalpy of reaction	Grossular
+        Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
+        log_k 51.9228
+	-delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular
 #	Enthalpy of formation:	-1582.74 kcal/mol
-        -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005
+        -analytic 2.9389e+1 -2.2478e-2 2.0323e+4 -1.4624e+1 -2.5674e+5
 #       -Range:  0-300
 
 Gypsum
-        CaSO4:2H2O  =  + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O
-        log_k           -4.4823
-	-delta_H	-1.66746	kJ/mol	# Calculated enthalpy of reaction	Gypsum
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+        log_k -4.4823
+	-delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum
 #	Enthalpy of formation:	-2022.69 kJ/mol
-        -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001
+        -analytic -2.4417e+2 -8.3329e-2 5.5958e+3 9.9301e+1 8.7389e+1
 #       -Range:  0-300
 
 Gyrolite
-        Ca2Si3O7(OH)2:1.5H2O +4.0000 H+  =  + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O
-        log_k           22.9099
-	-delta_H	-82.862	kJ/mol	# Calculated enthalpy of reaction	Gyrolite
+        Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
+        log_k 22.9099
+	-delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite
 #	Enthalpy of formation:	-1176.55 kcal/mol
-        -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006
+        -analytic -2.4416e+1 1.4646e-2 1.6181e+4 2.3723e+0 -1.5369e+6
 #       -Range:  0-300
 
 HTcO4
-       HTcO4  =  + 1.0000 H+ + 1.0000 TcO4-
-        log_k           5.9566
-	-delta_H	-12.324	kJ/mol	# Calculated enthalpy of reaction	HTcO4
+       HTcO4 = H+ + TcO4-
+        log_k 5.9566
+	-delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4
 #	Enthalpy of formation:	-703.945 kJ/mol
-        -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001
+        -analytic 3.0005e+1 7.6416e-3 -5.3546e+1 -1.0568e+1 -9.1953e-1
 #       -Range:  0-200
 
 Haiweeite
-        Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O
-        log_k           -7.0413
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Haiweeite
+        Ca(UO2)2(Si2O5)3:5H2O + 6 H+ = Ca+2 + 2 UO2+2 + 6 SiO2 + 8 H2O
+        log_k -7.0413
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite
 #	Enthalpy of formation:	0 kcal/mol
 
 Halite
-        NaCl  =  + 1.0000 Cl- + 1.0000 Na+
-        log_k           1.5855
-	-delta_H	3.7405	kJ/mol	# Calculated enthalpy of reaction	Halite
+        NaCl = Cl- + Na+
+        log_k 1.5855
+	-delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite
 #	Enthalpy of formation:	-98.26 kcal/mol
-        -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001
+        -analytic -1.0163e+2 -3.4761e-2 2.2796e+3 4.2802e+1 3.5602e+1
 #       -Range:  0-300
 
 Hatrurite
-        Ca3SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
-        log_k           73.4056
-	-delta_H	-434.684	kJ/mol	# Calculated enthalpy of reaction	Hatrurite
+        Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
+        log_k 73.4056
+	-delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite
 #	Enthalpy of formation:	-700.234 kcal/mol
-        -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004
+        -analytic -4.5448e+1 -1.9998e-2 2.38e+4 1.8494e+1 -7.3385e+4
 #       -Range:  0-300
 
 Hausmannite
-        Mn3O4 +8.0000 H+  =  + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O
-        log_k           10.1598
-	-delta_H	-268.121	kJ/mol	# Calculated enthalpy of reaction	Hausmannite
+        Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
+        log_k 10.1598
+	-delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite
 #	Enthalpy of formation:	-1387.83 kJ/mol
-        -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002
+        -analytic -2.06e+2 -2.2214e-2 2.016e+4 6.27e+1 3.1464e+2
 #       -Range:  0-300
 
 Heazlewoodite
-        Ni3S2 +4.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++
-        log_k           28.2477
-	-delta_H	-270.897	kJ/mol	# Calculated enthalpy of reaction	Heazlewoodite
+        Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
+        log_k 28.2477
+	-delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite
 #	Enthalpy of formation:	-203.012 kJ/mol
-        -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002
+        -analytic -3.5439e+2 -1.174e-1 2.1811e+4 1.3919e+2 3.4044e+2
 #       -Range:  0-300
 
 Hedenbergite
-        CaFe(SiO3)2 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2
-        log_k           19.6060
-	-delta_H	-124.507	kJ/mol	# Calculated enthalpy of reaction	Hedenbergite
+        CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
+        log_k 19.606
+	-delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite
 #	Enthalpy of formation:	-678.276 kcal/mol
-        -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005
+        -analytic -1.9473e+1 1.5288e-3 1.291e+4 2.1729e+0 -9.0058e+5
 #       -Range:  0-300
 
 Hematite
-        Fe2O3 +6.0000 H+  =  + 2.0000 Fe+++ + 3.0000 H2O
-        log_k           0.1086
-	-delta_H	-129.415	kJ/mol	# Calculated enthalpy of reaction	Hematite
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k 0.1086
+	-delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite
 #	Enthalpy of formation:	-197.72 kcal/mol
-        -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002
+        -analytic -2.2015e+2 -6.029e-2 1.1812e+4 8.0253e+1 1.8438e+2
 #       -Range:  0-300
 
 Hercynite
-        FeAl2O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           28.8484
-	-delta_H	-345.961	kJ/mol	# Calculated enthalpy of reaction	Hercynite
+        FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+        log_k 28.8484
+	-delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite
 #	Enthalpy of formation:	-1966.45 kJ/mol
-        -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002
+        -analytic -3.1848e+2 -7.9501e-2 2.5892e+4 1.1483e+2 4.0412e+2
 #       -Range:  0-300
 
 Herzenbergite
-        SnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sn++
-        log_k           -15.5786
-	-delta_H	81.6466	kJ/mol	# Calculated enthalpy of reaction	Herzenbergite
+        SnS + H+ = HS- + Sn+2
+        log_k -15.5786
+	-delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite
 #	Enthalpy of formation:	-25.464 kcal/mol
-        -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001
+        -analytic -1.3576e+2 -4.6594e-2 -1.1572e+3 5.574e+1 -1.8018e+1
 #       -Range:  0-300
 
 Heulandite
 #        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
-        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+  =  + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O 
-        log_k           3.3506
-	-delta_H	-97.2942	kJ/mol	# Calculated enthalpy of reaction	Heulandite
+        Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O
+        log_k 3.3506
+	-delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite
 #	Enthalpy of formation:	-10594.5 kJ/mol
-        -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006
+        -analytic -1.8364e+1 2.7879e-2 2.8426e+4 -1.7427e+1 -3.4723e+6
 #       -Range:  0-300
 
 Hexahydrite
-        MgSO4:6H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -1.7268
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hexahydrite
+        MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
+        log_k -1.7268
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite
 #	Enthalpy of formation:	0 kcal/mol
 
 Hf(s)
-       Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O
-        log_k           189.9795
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf
+       Hf + 4 H+ + O2 = Hf+4 + 2 H2O
+        log_k 189.9795
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hf
 #	Enthalpy of formation:	-0.003 kJ/mol
 
 HfB2
-       HfB2 +2.7500 H+ +2.2500 H2O  =  + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4-
-        log_k           55.7691
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfB2
+       HfB2 + 2.75 H+ + 2.25 H2O = 0.75 B(OH)3 + Hf+4 + 1.25 BH4-
+        log_k 55.7691
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfB2
 #	Enthalpy of formation:	-78.6 kJ/mol
 
 HfBr2
-       HfBr2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br-
-        log_k           114.9446
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr2
+       HfBr2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Br-
+        log_k 114.9446
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2
 #	Enthalpy of formation:	-98 kJ/mol
 
 HfBr4
-       HfBr4  =  + 1.0000 Hf++++ + 4.0000 Br-
-        log_k           48.2921
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfBr4
+       HfBr4 = Hf+4 + 4 Br-
+        log_k 48.2921
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4
 #	Enthalpy of formation:	-183.1 kJ/mol
 
 HfC
-       HfC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++
-        log_k           215.0827
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfC
+       HfC + 3 H+ + 2 O2 = H2O + HCO3- + Hf+4
+        log_k 215.0827
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfC
 #	Enthalpy of formation:	-54 kJ/mol
 
 HfCl2
-       HfCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl-
-        log_k           109.1624
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl2
+       HfCl2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Cl-
+        log_k 109.1624
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2
 #	Enthalpy of formation:	-125 kJ/mol
 
 HfCl4
-       HfCl4  =  + 1.0000 Hf++++ + 4.0000 Cl-
-        log_k           38.0919
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfCl4
+       HfCl4 = Hf+4 + 4 Cl-
+        log_k 38.0919
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4
 #	Enthalpy of formation:	-236.7 kJ/mol
 
 HfF2
-       HfF2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F-
-        log_k           81.7647
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF2
+       HfF2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 F-
+        log_k 81.7647
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfF2
 #	Enthalpy of formation:	-235 kJ/mol
 
 HfF4
-       HfF4  =  + 1.0000 Hf++++ + 4.0000 F-
-        log_k           -19.2307
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfF4
+       HfF4 = Hf+4 + 4 F-
+        log_k -19.2307
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfF4
 #	Enthalpy of formation:	-461.4 kJ/mol
 
 HfI2
-       HfI2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I-
-        log_k           117.4971
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI2
+       HfI2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 I-
+        log_k 117.4971
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfI2
 #	Enthalpy of formation:	-65 kJ/mol
 
 HfI4
-       HfI4  =  + 1.0000 Hf++++ + 4.0000 I-
-        log_k           54.1798
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfI4
+       HfI4 = Hf+4 + 4 I-
+        log_k 54.1798
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfI4
 #	Enthalpy of formation:	-118 kJ/mol
 
 HfN
-       HfN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3
-        log_k           69.4646
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfN
+       HfN + 4 H+ + 0.25 O2 = 0.5 H2O + Hf+4 + NH3
+        log_k 69.4646
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfN
 #	Enthalpy of formation:	-89.3 kJ/mol
 
 HfO2
-       HfO2 +4.0000 H+  =  + 1.0000 Hf++++ + 2.0000 H2O
-        log_k           1.1829
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfO2
+       HfO2 + 4 H+ = Hf+4 + 2 H2O
+        log_k 1.1829
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfO2
 #	Enthalpy of formation:	-267.1 kJ/mol
 
 HfS2
-       HfS2 +2.0000 H+  =  + 1.0000 Hf++++ + 2.0000 HS-
-        log_k           -1.5845
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS2
+       HfS2 + 2 H+ = Hf+4 + 2 HS-
+        log_k -1.5845
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfS2
 #	Enthalpy of formation:	-140 kJ/mol
 
 HfS3
-       HfS3 +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2--
-        log_k           -18.9936
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HfS3
+       HfS3 + H+ = HS- + Hf+4 + S2-2
+        log_k -18.9936
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HfS3
 #	Enthalpy of formation:	-149 kJ/mol
 
 Hg2SO4
-       Hg2SO4  =  + 1.0000 Hg2++ + 1.0000 SO4--
-        log_k           -6.1170
-	-delta_H	0.30448	kJ/mol	# Calculated enthalpy of reaction	Hg2SO4
+       Hg2SO4 = Hg2+2 + SO4-2
+        log_k -6.117
+	-delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4
 #	Enthalpy of formation:	-743.09 kJ/mol
-        -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001
+        -analytic -3.2342e+1 -1.9881e-2 1.6292e+3 1.0781e+1 2.7677e+1
 #       -Range:  0-200
 
 Hg2SeO3
-       Hg2SeO3  =  + 1.0000 Hg2++ + 1.0000 SeO3--
-        log_k           -14.2132
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hg2SeO3
+       Hg2SeO3 = Hg2+2 + SeO3-2
+        log_k -14.2132
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3
 #	Enthalpy of formation:	0 kcal/mol
 
 HgSeO3
-       HgSeO3  =  + 1.0000 Hg++ + 1.0000 SeO3--
-        log_k           -13.8957
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HgSeO3
+       HgSeO3 = Hg+2 + SeO3-2
+        log_k -13.8957
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3
 #	Enthalpy of formation:	0 kcal/mol
 
 Hillebrandite
-        Ca2SiO3(OH)2:0.17H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O
-        log_k           36.8190
-	-delta_H	-203.074	kJ/mol	# Calculated enthalpy of reaction	Hillebrandite
+        Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
+        log_k 36.819
+	-delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite
 #	Enthalpy of formation:	-637.404 kcal/mol
-        -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005
+        -analytic -1.936e+1 -7.5176e-3 1.1947e+4 8.0558e+0 -1.4504e+5
 #       -Range:  0-300
 
 Hinsdalite
-        Al3PPbSO8(OH)6 +7.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           9.8218
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hinsdalite
+        Al3PPbSO8(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Al+3 + 6 H2O
+        log_k 9.8218
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite
 #	Enthalpy of formation:	0 kcal/mol
 
 Ho
-       Ho +3.0000 H+ +0.7500 O2  =  + 1.0000 Ho+++ + 1.5000 H2O
-        log_k           182.8097
-	-delta_H	-1126.75	kJ/mol	# Calculated enthalpy of reaction	Ho
+       Ho + 3 H+ + 0.75 O2 = Ho+3 + 1.5 H2O
+        log_k 182.8097
+	-delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002
+        -analytic -6.5903e+1 -2.819e-2 5.937e+4 2.3421e+1 9.2643e+2
 #       -Range:  0-300
 
 Ho(OH)3
-       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
-        log_k           15.3852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3
+       Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O
+        log_k 15.3852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Ho(OH)3(am)
-       Ho(OH)3 +3.0000 H+  =  + 1.0000 Ho+++ + 3.0000 H2O
-        log_k           17.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho(OH)3(am)
+       Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O
+        log_k 17.7852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Ho2(CO3)3
-       Ho2(CO3)3 +3.0000 H+  =  + 2.0000 Ho+++ + 3.0000 HCO3-
-        log_k           -2.8136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2(CO3)3
+       Ho2(CO3)3 + 3 H+ = 2 Ho+3 + 3 HCO3-
+        log_k -2.8136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Ho2O3
-       Ho2O3 +6.0000 H+  =  + 2.0000 Ho+++ + 3.0000 H2O
-        log_k           47.3000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ho2O3
+       Ho2O3 + 6 H+ = 2 Ho+3 + 3 H2O
+        log_k 47.3
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 HoF3:.5H2O
-       HoF3:.5H2O  =  + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F-
-        log_k           -16.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoF3:.5H2O
+       HoF3:.5H2O = 0.5 H2O + Ho+3 + 3 F-
+        log_k -16.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 HoPO4:10H2O
-       HoPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	HoPO4:10H2O
+       HoPO4:10H2O + H+ = HPO4-2 + Ho+3 + 10 H2O
+        log_k -11.8782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Hopeite
-        Zn3(PO4)2:4H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O
-        log_k           -10.6563
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hopeite
+        Zn3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 Zn+2 + 4 H2O
+        log_k -10.6563
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite
 #	Enthalpy of formation:	0 kcal/mol
 
 Huntite
-        CaMg3(CO3)4 +4.0000 H+  =  + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3-
-        log_k           10.3010
-	-delta_H	-171.096	kJ/mol	# Calculated enthalpy of reaction	Huntite
+        CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
+        log_k 10.301
+	-delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite
 #	Enthalpy of formation:	-1082.6 kcal/mol
-        -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002
+        -analytic -6.5e+2 -1.9671e-1 2.4815e+4 2.5688e+2 3.874e+2
 #       -Range:  0-300
 
 Hydroboracite
-        MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3
-        log_k           20.3631
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydroboracite
+        MgCaB6O11:6H2O + 4 H+ + H2O = Ca+2 + Mg+2 + 6 B(OH)3
+        log_k 20.3631
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite
 #	Enthalpy of formation:	0 kcal/mol
 
 Hydrocerussite
-        Pb3(CO3)2(OH)2 +4.0000 H+  =  + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++
-        log_k           1.8477
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrocerussite
+        Pb3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Pb+2
+        log_k 1.8477
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite
 #	Enthalpy of formation:	0 kcal/mol
 
 Hydromagnesite
-        Mg5(CO3)4(OH)2:4H2O +6.0000 H+  =  + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O
-        log_k           30.8539
-	-delta_H	-289.696	kJ/mol	# Calculated enthalpy of reaction	Hydromagnesite
+        Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
+        log_k 30.8539
+	-delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite
 #	Enthalpy of formation:	-1557.09 kcal/mol
-        -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002
+        -analytic -7.9288e+2 -2.1448e-1 3.6749e+4 3.0888e+2 5.7367e+2
 #       -Range:  0-300
 
 Hydrophilite
-        CaCl2  =  + 1.0000 Ca++ + 2.0000 Cl-
-        log_k           11.7916
-	-delta_H	-81.4545	kJ/mol	# Calculated enthalpy of reaction	Hydrophilite
+        CaCl2 = Ca+2 + 2 Cl-
+        log_k 11.7916
+	-delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite
 #	Enthalpy of formation:	-795.788 kJ/mol
-        -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002
+        -analytic -2.2278e+2 -8.1414e-2 9.0298e+3 9.2349e+1 1.4097e+2
 #       -Range:  0-300
 
 Hydroxylapatite
-        Ca5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++
-        log_k           -3.0746
-	-delta_H	-191.982	kJ/mol	# Calculated enthalpy of reaction	Hydroxylapatite
+        Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+        log_k -3.0746
+	-delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite
 #	Enthalpy of formation:	-6685.52 kJ/mol
-        -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002
+        -analytic -8.5221e+2 -2.943e-1 2.8125e+4 3.4044e+2 4.3911e+2
 #       -Range:  0-300
 
 Hydrozincite
-        Zn5(OH)6(CO3)2 +8.0000 H+  =  + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O
-        log_k           30.3076
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hydrozincite
+        Zn5(OH)6(CO3)2 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O
+        log_k 30.3076
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite
 #	Enthalpy of formation:	0 kcal/mol
 
 I2
-       I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I-
-        log_k           -24.8084
-	-delta_H	165.967	kJ/mol	# Calculated enthalpy of reaction	I2
+       I2 + H2O = 0.5 O2 + 2 H+ + 2 I-
+        log_k -24.8084
+	-delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001
+        -analytic -1.7135e+2 -6.281e-2 -4.7225e+3 7.3181e+1 -7.364e+1
 #       -Range:  0-300
 
 Ice
-        H2O  =  + 1.0000 H2O
-        log_k           0.1387
-	-delta_H	6.74879	kJ/mol	# Calculated enthalpy of reaction	Ice
+        H2O = H2O
+        log_k 0.1387
+	-delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice
 #	Enthalpy of formation:	-69.93 kcal/mol
-        -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001
+        -analytic -2.326e+1 4.7948e-4 7.7351e+2 8.3499e+0 1.3143e+1
 #       -Range:  0-200
 
 Illite
-        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
-        log_k           9.0260
-	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
+        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O
+        log_k 9.026
+	-delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite
 #	Enthalpy of formation:	-1394.71 kcal/mol
-        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
+        -analytic 2.6069e+1 -1.2553e-3 1.367e+4 -2.0232e+1 -1.1204e+6
 #       -Range:  0-300
 
 Ilmenite
-        FeTiO3 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Fe++ + 1.0000 Ti(OH)4
-        log_k           0.9046
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ilmenite
+        FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
+        log_k 0.9046
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite
 #	Enthalpy of formation:	-1236.65 kJ/mol
 
 In
-       In +3.0000 H+ +0.7500 O2  =  + 1.0000 In+++ + 1.5000 H2O
-        log_k           81.6548
-	-delta_H	-524.257	kJ/mol	# Calculated enthalpy of reaction	In
+       In + 3 H+ + 0.75 O2 = In+3 + 1.5 H2O
+        log_k 81.6548
+	-delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004
+        -analytic -1.1773e+2 -3.7657e-2 3.1802e+4 4.2438e+1 -9.6348e+4
 #       -Range:  0-300
 
 Jadeite
-        NaAl(SiO3)2 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2
-        log_k           8.3888
-	-delta_H	-84.4415	kJ/mol	# Calculated enthalpy of reaction	Jadeite
+        NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
+        log_k 8.3888
+	-delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite
 #	Enthalpy of formation:	-722.116 kcal/mol
-        -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005
+        -analytic 1.5934e+0 5.0757e-3 9.5602e+3 -7.0164e+0 -8.4454e+5
 #       -Range:  0-300
 
 Jarosite
-        KFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -9.3706
-	-delta_H	-191.343	kJ/mol	# Calculated enthalpy of reaction	Jarosite
+        KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
+        log_k -9.3706
+	-delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite
 #	Enthalpy of formation:	-894.79 kcal/mol
-        -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002
+        -analytic -1.0813e+2 -5.0381e-2 9.6893e+3 3.2832e+1 1.6457e+2
 #       -Range:  0-200
 
 Jarosite-Na
-        NaFe3(SO4)2(OH)6 +6.0000 H+  =  + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
-        log_k           -5.4482
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Jarosite-Na
+        NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
+        log_k -5.4482
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na
 #	Enthalpy of formation:	0 kcal/mol
 
 K
-       K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+
-        log_k           70.9861
-	-delta_H	-392.055	kJ/mol	# Calculated enthalpy of reaction	K
+       K + H+ + 0.25 O2 = 0.5 H2O + K+
+        log_k 70.9861
+	-delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002
+        -analytic -3.1102e+1 -1.0003e-2 2.1338e+4 1.3534e+1 3.3296e+2
 #       -Range:  0-300
 
 K-Feldspar
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           -0.2753
-	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	K-Feldspar
+        KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+        log_k -0.2753
+	-delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar
 #	Enthalpy of formation:	-949.188 kcal/mol
-        -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006
+        -analytic -1.0684e+0 1.3111e-2 1.1671e+4 -9.9129e+0 -1.5855e+6
 #       -Range:  0-300
 
 K2CO3:1.5H2O
-       K2CO3:1.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+
-        log_k           13.3785
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2CO3:1.5H2O
+       K2CO3:1.5H2O + H+ = HCO3- + 1.5 H2O + 2 K+
+        log_k 13.3785
+	-delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 K2O
-       K2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 K+
-        log_k           84.0405
-	-delta_H	-427.006	kJ/mol	# Calculated enthalpy of reaction	K2O
+       K2O + 2 H+ = H2O + 2 K+
+        log_k 84.0405
+	-delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O
 #	Enthalpy of formation:	-86.8 kcal/mol
-        -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002
+        -analytic -1.8283e+1 -5.2255e-3 2.3184e+4 1.0553e+1 3.6177e+2
 #       -Range:  0-300
 
 K2Se
-       K2Se  =  + 1.0000 Se-- + 2.0000 K+
-        log_k           11.2925
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K2Se
+       K2Se = Se-2 + 2 K+
+        log_k 11.2925
+	-delta_H 0 # Not possible to calculate enthalpy of reaction K2Se
 #	Enthalpy of formation:	-92 kcal/mol
-        -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001
+        -analytic 1.8182e+1 7.8828e-3 2.6345e+3 -7.3075e+0 4.4732e+1
 #       -Range:  0-200
 
 K2UO4
-       K2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+
-        log_k           33.8714
-	-delta_H	-174.316	kJ/mol	# Calculated enthalpy of reaction	K2UO4
+       K2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 K+
+        log_k 33.8714
+	-delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4
 #	Enthalpy of formation:	-1920.7 kJ/mol
-        -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002
+        -analytic -7.0905e+1 -2.568e-3 1.2244e+4 2.6056e+1 2.0794e+2
 #       -Range:  0-200
 
 K3H(SO4)2
-       K3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+
-        log_k           -3.6233
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K3H(SO4)2
+       K3H(SO4)2 = H+ + 2 SO4-2 + 3 K+
+        log_k -3.6233
+	-delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 K8H4(CO3)6:3H2O
-       K8H4(CO3)6:3H2O +2.0000 H+  =  + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+
-        log_k           27.7099
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	K8H4(CO3)6:3H2O
+       K8H4(CO3)6:3H2O + 2 H+ = 3 H2O + 6 HCO3- + 8 K+
+        log_k 27.7099
+	-delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 KAl(SO4)2
-       KAl(SO4)2  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4--
-        log_k           3.3647
-	-delta_H	-139.485	kJ/mol	# Calculated enthalpy of reaction	KAl(SO4)2
+       KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
+        log_k 3.3647
+	-delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2
 #	Enthalpy of formation:	-2470.29 kJ/mol
-        -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002
+        -analytic -4.2785e+2 -1.6303e-1 1.5311e+4 1.7312e+2 2.3904e+2
 #       -Range:  0-300
 
 KBr
-       KBr  =  + 1.0000 Br- + 1.0000 K+
-        log_k           1.0691
-	-delta_H	20.125	kJ/mol	# Calculated enthalpy of reaction	KBr
+       KBr = Br- + K+
+        log_k 1.0691
+	-delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr
 #	Enthalpy of formation:	-393.798 kJ/mol
-        -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000
+        -analytic -7.3164e+1 -3.124e-2 4.814e+2 3.3104e+1 7.5336e+0
 #       -Range:  0-300
 
 KMgCl3
-       KMgCl3  =  + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl-
-        log_k           21.2618
-	-delta_H	-132.768	kJ/mol	# Calculated enthalpy of reaction	KMgCl3
+       KMgCl3 = K+ + Mg+2 + 3 Cl-
+        log_k 21.2618
+	-delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3
 #	Enthalpy of formation:	-1086.6 kJ/mol
-        -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001
+        -analytic -8.4641e+0 -3.2688e-2 5.1496e+3 8.9652e+0 8.745e+1
 #       -Range:  0-200
 
 KMgCl3:2H2O
-       KMgCl3:2H2O  =  + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl-
-        log_k           13.9755
-	-delta_H	-76.8449	kJ/mol	# Calculated enthalpy of reaction	KMgCl3:2H2O
+       KMgCl3:2H2O = K+ + Mg+2 + 2 H2O + 3 Cl-
+        log_k 13.9755
+	-delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O
 #	Enthalpy of formation:	-1714.2 kJ/mol
-        -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001
+        -analytic -5.9982e+1 -3.3015e-2 4.6174e+3 2.7602e+1 7.8431e+1
 #       -Range:  0-200
 
 KNaCO3:6H2O
-       KNaCO3:6H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O
-        log_k           10.2593
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KNaCO3:6H2O
+       KNaCO3:6H2O + H+ = HCO3- + K+ + Na+ + 6 H2O
+        log_k 10.2593
+	-delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 KTcO4
-       KTcO4  =  + 1.0000 K+ + 1.0000 TcO4-
-        log_k           -2.2667
-	-delta_H	53.2363	kJ/mol	# Calculated enthalpy of reaction	KTcO4
+       KTcO4 = K+ + TcO4-
+        log_k -2.2667
+	-delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4
 #	Enthalpy of formation:	-1021.67 kJ/mol
-        -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005
+        -analytic 1.8058e+1 -8.4795e-4 -2.3985e+3 -4.1788e+0 -1.5029e+5
 #       -Range:  0-300
 
 KUO2AsO4
-       KUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++
-        log_k           -4.1741
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	KUO2AsO4
+       KUO2AsO4 + 2 H+ = H2AsO4- + K+ + UO2+2
+        log_k -4.1741
+	-delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4
 #	Enthalpy of formation:	0 kcal/mol
 
 Kainite
-        KMgClSO4:3H2O  =  + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O
-        log_k           -0.3114
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kainite
+        KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O
+        log_k -0.3114
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Kainite
 #	Enthalpy of formation:	0 kcal/mol
 
 Kalicinite
-        KHCO3  =  + 1.0000 HCO3- + 1.0000 K+
-        log_k           0.2837
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kalicinite
+        KHCO3 = HCO3- + K+
+        log_k 0.2837
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite
 #	Enthalpy of formation:	0 kcal/mol
 
 Kalsilite
-        KAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           10.8987
-	-delta_H	-108.583	kJ/mol	# Calculated enthalpy of reaction	Kalsilite
+        KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
+        log_k 10.8987
+	-delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite
 #	Enthalpy of formation:	-509.408 kcal/mol
-        -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005
+        -analytic -6.7595e+0 -7.4301e-3 6.538e+3 1.8999e-1 -2.288e+5
 #       -Range:  0-300
 
 Kaolinite
-        Al2Si2O5(OH)4 +6.0000 H+  =  + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O
-        log_k           6.8101
-	-delta_H	-151.779	kJ/mol	# Calculated enthalpy of reaction	Kaolinite
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
+        log_k 6.8101
+	-delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite
 #	Enthalpy of formation:	-982.221 kcal/mol
-        -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005
+        -analytic 1.6835e+1 -7.8939e-3 7.7636e+3 -1.219e+1 -3.2354e+5
 #       -Range:  0-300
 
 Karelianite
-        V2O3 +6.0000 H+  =  + 2.0000 V+++ + 3.0000 H2O
-        log_k           9.9424
-	-delta_H	-160.615	kJ/mol	# Calculated enthalpy of reaction	Karelianite
+        V2O3 + 6 H+ = 2 V+3 + 3 H2O
+        log_k 9.9424
+	-delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite
 #	Enthalpy of formation:	-1218.98 kJ/mol
-        -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005
+        -analytic -2.7961e+1 -7.1499e-3 6.7749e+3 5.8146e+0 2.6039e+5
 #       -Range:  0-300
 
 Kasolite
-        Pb(UO2)SiO4:H2O +4.0000 H+  =  + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
-        log_k           7.2524
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kasolite
+        Pb(UO2)SiO4:H2O + 4 H+ = Pb+2 + SiO2 + UO2+2 + 3 H2O
+        log_k 7.2524
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite
 #	Enthalpy of formation:	0 kcal/mol
 
 Katoite
-        Ca3Al2H12O12 +12.0000 H+  =  + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O
-        log_k           78.9437
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Katoite
+        Ca3Al2H12O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 12 H2O
+        log_k 78.9437
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Katoite
 #	Enthalpy of formation:	0 kcal/mol
 
 Kieserite
-        MgSO4:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4--
-        log_k           -0.2670
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Kieserite
+        MgSO4:H2O = H2O + Mg+2 + SO4-2
+        log_k -0.267
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite
 #	Enthalpy of formation:	0 kcal/mol
 
 Klockmannite
-        CuSe  =  + 1.0000 Cu++ + 1.0000 Se--
-        log_k           -41.6172
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Klockmannite
+        CuSe = Cu+2 + Se-2
+        log_k -41.6172
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite
 #	Enthalpy of formation:	-10 kcal/mol
-        -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002
+        -analytic -2.3021e+1 -2.1458e-3 -8.5938e+3 4.39e+0 -1.4593e+2
 #       -Range:  0-200
 
 Krutaite
-        CuSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -107.6901
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Krutaite
+        CuSe2 + H2O = 0.5 O2 + Cu+2 + 2 H+ + 2 Se-2
+        log_k -107.6901
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite
 #	Enthalpy of formation:	-11.5 kcal/mol
-        -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002
+        -analytic -3.7735e+1 -8.7548e-4 -2.6352e+4 7.5528e+0 -4.4749e+2
 #       -Range:  0-200
 
 Kyanite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           15.6740
-	-delta_H	-230.919	kJ/mol	# Calculated enthalpy of reaction	Kyanite
+        Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+        log_k 15.674
+	-delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite
 #	Enthalpy of formation:	-616.897 kcal/mol
-        -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002
+        -analytic -7.3335e+1 -3.2853e-2 1.2166e+4 2.3412e+1 1.8986e+2
 #       -Range:  0-300
 
 La
-       La +3.0000 H+ +0.7500 O2  =  + 1.0000 La+++ + 1.5000 H2O
-        log_k           184.7155
-	-delta_H	-1129.26	kJ/mol	# Calculated enthalpy of reaction	La
+       La + 3 H+ + 0.75 O2 = La+3 + 1.5 H2O
+        log_k 184.7155
+	-delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002
+        -analytic -5.9508e+1 -2.7578e-2 5.9327e+4 2.1589e+1 9.2577e+2
 #       -Range:  0-300
 
 La(OH)3
-       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
-        log_k           20.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3
+       La(OH)3 + 3 H+ = La+3 + 3 H2O
+        log_k 20.2852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 La(OH)3(am)
-       La(OH)3 +3.0000 H+  =  + 1.0000 La+++ + 3.0000 H2O
-        log_k           23.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La(OH)3(am)
+       La(OH)3 + 3 H+ = La+3 + 3 H2O
+        log_k 23.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 La2(CO3)3:8H2O
-       La2(CO3)3:8H2O +3.0000 H+  =  + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O
-        log_k           -4.3136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2(CO3)3:8H2O
+       La2(CO3)3:8H2O + 3 H+ = 2 La+3 + 3 HCO3- + 8 H2O
+        log_k -4.3136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 La2O3
-       La2O3 +6.0000 H+  =  + 2.0000 La+++ + 3.0000 H2O
-        log_k           66.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	La2O3
+       La2O3 + 6 H+ = 2 La+3 + 3 H2O
+        log_k 66.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction La2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 LaCl3
-       LaCl3  =  + 1.0000 La+++ + 3.0000 Cl-
-        log_k           14.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3
+       LaCl3 = La+3 + 3 Cl-
+        log_k 14.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3
 #	Enthalpy of formation:	0 kcal/mol
 
 LaCl3:7H2O
-       LaCl3:7H2O  =  + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O
-        log_k           4.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaCl3:7H2O
+       LaCl3:7H2O = La+3 + 3 Cl- + 7 H2O
+        log_k 4.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 LaF3:.5H2O
-       LaF3:.5H2O  =  + 0.5000 H2O + 1.0000 La+++ + 3.0000 F-
-        log_k           -18.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaF3:.5H2O
+       LaF3:.5H2O = 0.5 H2O + La+3 + 3 F-
+        log_k -18.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 LaPO4:10H2O
-       LaPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O
-        log_k           -12.3782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LaPO4:10H2O
+       LaPO4:10H2O + H+ = HPO4-2 + La+3 + 10 H2O
+        log_k -12.3782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Lammerite
-        Cu3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Cu++
-        log_k           1.5542
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lammerite
+        Cu3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cu+2
+        log_k 1.5542
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite
 #	Enthalpy of formation:	0 kcal/mol
 Lanarkite
-        Pb2(SO4)O +2.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++
-        log_k           -0.4692
-	-delta_H	-22.014	kJ/mol	# Calculated enthalpy of reaction	Lanarkite
+        Pb2(SO4)O + 2 H+ = H2O + SO4-2 + 2 Pb+2
+        log_k -0.4692
+	-delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite
 #	Enthalpy of formation:	-1171.59 kJ/mol
-        -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004
+        -analytic 5.1071e+0 -1.6655e-2 0e+0 0e+0 -5.566e+4
 #       -Range:  0-200
 
 Lansfordite
-        MgCO3:5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O
-        log_k           4.8409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lansfordite
+        MgCO3:5H2O + H+ = HCO3- + Mg+2 + 5 H2O
+        log_k 4.8409
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite
 #	Enthalpy of formation:	0 kcal/mol
 
 Larnite
-        Ca2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
-        log_k           38.4665
-	-delta_H	-227.061	kJ/mol	# Calculated enthalpy of reaction	Larnite
+        Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
+        log_k 38.4665
+	-delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite
 #	Enthalpy of formation:	-551.74 kcal/mol
-        -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004
+        -analytic 2.69e+1 -2.1833e-3 1.09e+4 -9.5257e+0 -7.2537e+4
 #       -Range:  0-300
 
 Laumontite
-        CaAl2Si4O12:4H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O
-        log_k           13.6667
-	-delta_H	-184.657	kJ/mol	# Calculated enthalpy of reaction	Laumontite
+        CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O
+        log_k 13.6667
+	-delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite
 #	Enthalpy of formation:	-1728.66 kcal/mol
-        -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006
+        -analytic 1.1904e+0 8.1763e-3 1.9005e+4 -1.4561e+1 -1.5851e+6
 #       -Range:  0-300
 
 Laurite
-        RuS2  =  + 1.0000 Ru++ + 1.0000 S2--
-        log_k           -73.2649
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Laurite
+        RuS2 = Ru+2 + S2-2
+        log_k -73.2649
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Laurite
 #	Enthalpy of formation:	-199.586 kJ/mol
 
 Lawrencite
-        FeCl2  =  + 1.0000 Fe++ + 2.0000 Cl-
-        log_k           9.0945
-	-delta_H	-84.7665	kJ/mol	# Calculated enthalpy of reaction	Lawrencite
+        FeCl2 = Fe+2 + 2 Cl-
+        log_k 9.0945
+	-delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite
 #	Enthalpy of formation:	-341.65 kJ/mol
-        -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002
+        -analytic -2.2798e+2 -8.1819e-2 9.262e+3 9.3097e+1 1.4459e+2
 #       -Range:  0-300
 
 Lawsonite
-        CaAl2Si2O7(OH)2:H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O
-        log_k           22.2132
-	-delta_H	-244.806	kJ/mol	# Calculated enthalpy of reaction	Lawsonite
+        CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
+        log_k 22.2132
+	-delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite
 #	Enthalpy of formation:	-1158.1 kcal/mol
-        -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002
+        -analytic 1.3995e+1 -1.7668e-2 1.0119e+4 -8.31e+0 1.5789e+2
 #       -Range:  0-300
 
 Leonite
-        K2Mg(SO4)2:4H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -4.1123
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Leonite
+        K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
+        log_k -4.1123
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Leonite
 #	Enthalpy of formation:	0 kcal/mol
 
 Li
-       Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+
-        log_k           72.7622
-	-delta_H	-418.339	kJ/mol	# Calculated enthalpy of reaction	Li
+       Li + H+ + 0.25 O2 = 0.5 H2O + Li+
+        log_k 72.7622
+	-delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005
+        -analytic -1.0227e+2 -1.8118e-2 2.6262e+4 3.8056e+1 -1.6166e+5
 #       -Range:  0-300
 
 Li2Se
-       Li2Se +1.5000 O2  =  + 1.0000 SeO3-- + 2.0000 Li+
-        log_k           102.8341
-	-delta_H	-646.236	kJ/mol	# Calculated enthalpy of reaction	Li2Se
+       Li2Se + 1.5 O2 = SeO3-2 + 2 Li+
+        log_k 102.8341
+	-delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se
 #	Enthalpy of formation:	-96 kcal/mol
-        -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002
+        -analytic 1.1933e+2 -6.9663e-3 2.7509e+4 -4.3124e+1 4.671e+2
 #       -Range:  0-200
 
 Li2UO4
-       Li2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+
-        log_k           27.8421
-	-delta_H	-179.384	kJ/mol	# Calculated enthalpy of reaction	Li2UO4
+       Li2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Li+
+        log_k 27.8421
+	-delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4
 #	Enthalpy of formation:	-1968.2 kJ/mol
-        -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002
+        -analytic -1.447e+2 -1.2024e-2 1.4899e+4 5.0984e+1 2.5306e+2
 #       -Range:  0-200
 
 LiUO2AsO4
-       LiUO2AsO4 +2.0000 H+  =  + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++
-        log_k           -0.7862
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LiUO2AsO4
+       LiUO2AsO4 + 2 H+ = H2AsO4- + Li+ + UO2+2
+        log_k -0.7862
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4
 #	Enthalpy of formation:	0 kcal/mol
 
 Lime
-        CaO +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O
-        log_k           32.5761
-	-delta_H	-193.832	kJ/mol	# Calculated enthalpy of reaction	Lime
+        CaO + 2 H+ = Ca+2 + H2O
+        log_k 32.5761
+	-delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime
 #	Enthalpy of formation:	-151.79 kcal/mol
-        -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002
+        -analytic -7.2686e+1 -1.7654e-2 1.2199e+4 2.8128e+1 1.9037e+2
 #       -Range:  0-300
 
 Linnaeite
-        Co3S4 +4.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS-
-        log_k           -106.9017
-	-delta_H	420.534	kJ/mol	# Calculated enthalpy of reaction	Linnaeite
+        Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
+        log_k -106.9017
+	-delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite
 #	Enthalpy of formation:	-85.81 kcal/mol
-        -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002
+        -analytic -6.0034e+2 -2.0179e-1 -9.2145e+3 2.3618e+2 -1.4361e+2
 #       -Range:  0-300
 
 Litharge
-        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           12.6388
-	-delta_H	-65.9118	kJ/mol	# Calculated enthalpy of reaction	Litharge
+        PbO + 2 H+ = H2O + Pb+2
+        log_k 12.6388
+	-delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge
 #	Enthalpy of formation:	-219.006 kJ/mol
-        -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001
+        -analytic -1.8683e+1 -2.0211e-3 4.1876e+3 7.2239e+0 7.1118e+1
 #       -Range:  0-200
 
 Lopezite
-        K2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+
-        log_k           -17.4366
-	-delta_H	81.9227	kJ/mol	# Calculated enthalpy of reaction	Lopezite
+        K2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 K+
+        log_k -17.4366
+	-delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite
 #	Enthalpy of formation:	-493.003 kcal/mol
-        -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002
+        -analytic 7.8359e+1 -2.2908e-2 -9.3812e+3 -2.3245e+1 -1.5933e+2
 #       -Range:  0-200
 
 Lu
-       Lu +3.0000 H+ +0.7500 O2  =  + 1.0000 Lu+++ + 1.5000 H2O
-        log_k           181.3437
-	-delta_H	-1122.15	kJ/mol	# Calculated enthalpy of reaction	Lu
+       Lu + 3 H+ + 0.75 O2 = Lu+3 + 1.5 H2O
+        log_k 181.3437
+	-delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002
+        -analytic -6.895e+1 -2.8643e-2 5.9209e+4 2.4332e+1 9.2392e+2
 #       -Range:  0-300
 
 Lu(OH)3
-       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
-        log_k           14.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3
+       Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O
+        log_k 14.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Lu(OH)3(am)
-       Lu(OH)3 +3.0000 H+  =  + 1.0000 Lu+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu(OH)3(am)
+       Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O
+        log_k 18.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Lu2(CO3)3
-       Lu2(CO3)3 +3.0000 H+  =  + 2.0000 Lu+++ + 3.0000 HCO3-
-        log_k           -2.0136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2(CO3)3
+       Lu2(CO3)3 + 3 H+ = 2 Lu+3 + 3 HCO3-
+        log_k -2.0136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Lu2O3
-       Lu2O3 +6.0000 H+  =  + 2.0000 Lu+++ + 3.0000 H2O
-        log_k           45.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Lu2O3
+       Lu2O3 + 6 H+ = 2 Lu+3 + 3 H2O
+        log_k 45
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 LuF3:.5H2O
-       LuF3:.5H2O  =  + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F-
-        log_k           -15.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuF3:.5H2O
+       LuF3:.5H2O = 0.5 H2O + Lu+3 + 3 F-
+        log_k -15.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 LuPO4:10H2O
-       LuPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O
-        log_k           -11.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	LuPO4:10H2O
+       LuPO4:10H2O + H+ = HPO4-2 + Lu+3 + 10 H2O
+        log_k -11.6782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Magnesiochromite
-        MgCr2O4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           21.6927
-	-delta_H	-302.689	kJ/mol	# Calculated enthalpy of reaction	Magnesiochromite
+        MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
+        log_k 21.6927
+	-delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite
 #	Enthalpy of formation:	-1783.6 kJ/mol
-        -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002
+        -analytic -1.7376e+2 -8.7429e-3 2.16e+4 5.0762e+1 3.6685e+2
 #       -Range:  0-200
 
 Magnesite
-        MgCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++
-        log_k           2.2936
-	-delta_H	-44.4968	kJ/mol	# Calculated enthalpy of reaction	Magnesite
+        MgCO3 + H+ = HCO3- + Mg+2
+        log_k 2.2936
+	-delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite
 #	Enthalpy of formation:	-265.63 kcal/mol
-        -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002
+        -analytic -1.6665e+2 -4.9469e-2 6.4344e+3 6.5506e+1 1.0045e+2
 #       -Range:  0-300
 
 Magnetite
-        Fe3O4 +8.0000 H+  =  + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           10.4724
-	-delta_H	-216.597	kJ/mol	# Calculated enthalpy of reaction	Magnetite
+        Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
+        log_k 10.4724
+	-delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite
 #	Enthalpy of formation:	-267.25 kcal/mol
-        -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002
+        -analytic -3.051e+2 -7.9919e-2 1.8709e+4 1.1178e+2 2.9203e+2
 #       -Range:  0-300
 
 Malachite
-        Cu2CO3(OH)2 +3.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O
-        log_k           5.9399
-	-delta_H	-76.2827	kJ/mol	# Calculated enthalpy of reaction	Malachite
+        Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
+        log_k 5.9399
+	-delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite
 #	Enthalpy of formation:	-251.9 kcal/mol
-        -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002
+        -analytic -2.7189e+2 -6.9454e-2 1.1451e+4 1.0511e+2 1.7877e+2
 #       -Range:  0-300
 
 Manganite
-        MnO(OH) +3.0000 H+  =  + 1.0000 Mn+++ + 2.0000 H2O
-        log_k           -0.1646
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Manganite
+        MnO(OH) + 3 H+ = Mn+3 + 2 H2O
+        log_k -0.1646
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Manganite
 #	Enthalpy of formation:	0 kcal/mol
 
 Manganosite
-        MnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++
-        log_k           17.9240
-	-delta_H	-121.215	kJ/mol	# Calculated enthalpy of reaction	Manganosite
+        MnO + 2 H+ = H2O + Mn+2
+        log_k 17.924
+	-delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite
 #	Enthalpy of formation:	-92.07 kcal/mol
-        -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002
+        -analytic -8.4114e+1 -1.849e-2 8.7792e+3 3.1561e+1 1.3702e+2
 #       -Range:  0-300
 
 Margarite
-        CaAl4Si2O10(OH)2 +14.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O
-        log_k           41.0658
-	-delta_H	-522.192	kJ/mol	# Calculated enthalpy of reaction	Margarite
+        CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
+        log_k 41.0658
+	-delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite
 #	Enthalpy of formation:	-1485.8 kcal/mol
-        -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002
+        -analytic -2.3138e+2 -8.2788e-2 3.0154e+4 7.9148e+1 4.706e+2
 #       -Range:  0-300
 
 Massicot
-        PbO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           12.8210
-	-delta_H	-67.6078	kJ/mol	# Calculated enthalpy of reaction	Massicot
+        PbO + 2 H+ = H2O + Pb+2
+        log_k 12.821
+	-delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot
 #	Enthalpy of formation:	-217.31 kJ/mol
-        -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001
+        -analytic -1.8738e+1 -2.0125e-3 4.2739e+3 7.2018e+0 7.2584e+1
 #       -Range:  0-200
 
 Matlockite
-        PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
-        log_k           -9.4300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Matlockite
+        PbFCl = Cl- + F- + Pb+2
+        log_k -9.43
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite
 #	Enthalpy of formation:	0 kcal/mol
 
 Maximum_Microcline
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           -0.2753
-	-delta_H	-23.9408	kJ/mol	# Calculated enthalpy of reaction	Maximum_Microcline
+        KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+        log_k -0.2753
+	-delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline
 #	Enthalpy of formation:	-949.188 kcal/mol
-        -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006
+        -analytic -9.4387e+0 1.3561e-2 1.2656e+4 -7.4925e+0 -1.6795e+6
 #       -Range:  0-300
 
 Mayenite
-        Ca12Al14O33 +66.0000 H+  =  + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O
-        log_k           494.2199
-	-delta_H	-4056.77	kJ/mol	# Calculated enthalpy of reaction	Mayenite
+        Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
+        log_k 494.2199
+	-delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite
 #	Enthalpy of formation:	-4644 kcal/mol
-        -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003
+        -analytic -1.4778e+3 -2.9898e-1 2.4918e+5 4.9518e+2 4.2319e+3
 #       -Range:  0-200
 
 Melanterite
-        FeSO4:7H2O  =  + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.3490
-	-delta_H	11.7509	kJ/mol	# Calculated enthalpy of reaction	Melanterite
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+        log_k -2.349
+	-delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite
 #	Enthalpy of formation:	-3014.48 kJ/mol
-        -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002
+        -analytic -2.623e+2 -7.2469e-2 6.5854e+3 1.0484e+2 1.0284e+2
 #       -Range:  0-300
 
 Mercallite
-        KHSO4  =  + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4--
-        log_k           -1.4389
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mercallite
+        KHSO4 = H+ + K+ + SO4-2
+        log_k -1.4389
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite
 #	Enthalpy of formation:	0 kcal/mol
 
 Merwinite
-        MgCa3(SiO4)2 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O
-        log_k           68.5140
-	-delta_H	-430.069	kJ/mol	# Calculated enthalpy of reaction	Merwinite
+        MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
+        log_k 68.514
+	-delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite
 #	Enthalpy of formation:	-1090.8 kcal/mol
-        -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005
+        -analytic -2.2524e+2 -4.2525e-2 3.5619e+4 7.9984e+1 -9.8259e+5
 #       -Range:  0-300
 
 Mesolite
-        Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+  =  + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O
-        log_k           13.6191
-	-delta_H	-179.744	kJ/mol	# Calculated enthalpy of reaction	Mesolite
+        Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
+        log_k 13.6191
+	-delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite
 #	Enthalpy of formation:	-5947.05 kJ/mol
-        -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005
+        -analytic 7.1993e+0 5.9356e-3 1.4717e+4 -1.3627e+1 -9.8863e+5
 #       -Range:  0-300
 
 Metacinnabar
-        HgS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Hg++
-        log_k           -38.5979
-	-delta_H	203.426	kJ/mol	# Calculated enthalpy of reaction	Metacinnabar
+        HgS + H+ = HS- + Hg+2
+        log_k -38.5979
+	-delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar
 #	Enthalpy of formation:	-11.8 kcal/mol
-        -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002
+        -analytic -1.5399e+2 -4.674e-2 -6.7875e+3 6.1456e+1 -1.0587e+2
 #       -Range:  0-300
 
 Mg
-       Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++
-        log_k           122.5365
-	-delta_H	-745.731	kJ/mol	# Calculated enthalpy of reaction	Mg
+       Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
+        log_k 122.5365
+	-delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002
+        -analytic -6.5988e+1 -1.9356e-2 4.0318e+4 2.3862e+1 6.2914e+2
 #       -Range:  0-300
 
 Mg1.25SO4(OH)0.5:0.5H2O
-       Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++
-        log_k           5.2600
-	-delta_H	-97.1054	kJ/mol	# Calculated enthalpy of reaction	Mg1.25SO4(OH)0.5:0.5H2O
+       Mg1.25SO4(OH)0.5:0.5H2O + 0.5 H+ = H2O + SO4-2 + 1.25 Mg+2
+        log_k 5.26
+	-delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O
 #	Enthalpy of formation:	-401.717 kcal/mol
-        -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002
+        -analytic -2.6791e+2 -8.7078e-2 1.109e+4 1.0583e+2 1.7312e+2
 #       -Range:  0-300
 
 Mg1.5SO4(OH)
-       Mg1.5SO4(OH) +1.0000 H+  =  + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++
-        log_k           9.2551
-	-delta_H	-125.832	kJ/mol	# Calculated enthalpy of reaction	Mg1.5SO4(OH)
+       Mg1.5SO4(OH) + H+ = H2O + SO4-2 + 1.5 Mg+2
+        log_k 9.2551
+	-delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH)
 #	Enthalpy of formation:	-422.693 kcal/mol
-        -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002
+        -analytic -2.8698e+2 -9.197e-2 1.3088e+4 1.1304e+2 2.0432e+2
 #       -Range:  0-300
 
 Mg2V2O7
-       Mg2V2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4---
-        log_k           -30.9025
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mg2V2O7
+       Mg2V2O7 + H2O = 2 H+ + 2 Mg+2 + 2 VO4-3
+        log_k -30.9025
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7
 #	Enthalpy of formation:	-2836.23 kJ/mol
 
 MgBr2
-       MgBr2  =  + 1.0000 Mg++ + 2.0000 Br-
-        log_k           28.5302
-	-delta_H	-190.15	kJ/mol	# Calculated enthalpy of reaction	MgBr2
+       MgBr2 = Mg+2 + 2 Br-
+        log_k 28.5302
+	-delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2
 #	Enthalpy of formation:	-124 kcal/mol
-        -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002
+        -analytic -2.1245e+2 -7.6168e-2 1.4466e+4 8.694e+1 2.2579e+2
 #       -Range:  0-300
 
 MgBr2:6H2O
-       MgBr2:6H2O  =  + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O
-        log_k           5.1656
-	-delta_H	-14.2682	kJ/mol	# Calculated enthalpy of reaction	MgBr2:6H2O
+       MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O
+        log_k 5.1656
+	-delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O
 #	Enthalpy of formation:	-2409.73 kJ/mol
-        -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001
+        -analytic -1.3559e+2 -1.6479e-2 5.8571e+3 5.0924e+1 9.9508e+1
 #       -Range:  0-200
 
 MgCl2:2H2O
-       MgCl2:2H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           12.7763
-	-delta_H	-92.0895	kJ/mol	# Calculated enthalpy of reaction	MgCl2:2H2O
+       MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O
+        log_k 12.7763
+	-delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O
 #	Enthalpy of formation:	-1279.71 kJ/mol
-        -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002
+        -analytic -2.5409e+2 -8.1413e-2 1.0941e+4 1.0281e+2 1.708e+2
 #       -Range:  0-300
 
 MgCl2:4H2O
-       MgCl2:4H2O  =  + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           7.3581
-	-delta_H	-44.4602	kJ/mol	# Calculated enthalpy of reaction	MgCl2:4H2O
+       MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O
+        log_k 7.3581
+	-delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O
 #	Enthalpy of formation:	-1899.01 kJ/mol
-        -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002
+        -analytic -2.7604e+2 -8.1648e-2 9.5501e+3 1.114e+2 1.491e+2
 #       -Range:  0-300
 
 MgCl2:H2O
-       MgCl2:H2O  =  + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl-
-        log_k           16.1187
-	-delta_H	-119.326	kJ/mol	# Calculated enthalpy of reaction	MgCl2:H2O
+       MgCl2:H2O = H2O + Mg+2 + 2 Cl-
+        log_k 16.1187
+	-delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O
 #	Enthalpy of formation:	-966.631 kJ/mol
-        -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002
+        -analytic -2.4414e+2 -8.131e-2 1.1862e+4 9.8878e+1 1.8516e+2
 #       -Range:  0-300
 
 MgOHCl
-       MgOHCl +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++
-        log_k           15.9138
-	-delta_H	-118.897	kJ/mol	# Calculated enthalpy of reaction	MgOHCl
+       MgOHCl + H+ = Cl- + H2O + Mg+2
+        log_k 15.9138
+	-delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl
 #	Enthalpy of formation:	-191.2 kcal/mol
-        -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002
+        -analytic -1.6614e+2 -4.9715e-2 1.0311e+4 6.5578e+1 1.6093e+2
 #       -Range:  0-300
 
 MgSO4
-       MgSO4  =  + 1.0000 Mg++ + 1.0000 SO4--
-        log_k           4.8781
-	-delta_H	-90.6421	kJ/mol	# Calculated enthalpy of reaction	MgSO4
+       MgSO4 = Mg+2 + SO4-2
+        log_k 4.8781
+	-delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4
 #	Enthalpy of formation:	-1284.92 kJ/mol
-        -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002
+        -analytic -2.2439e+2 -7.9688e-2 9.3058e+3 8.9622e+1 1.4527e+2
 #       -Range:  0-300
 
 MgSeO3
-       MgSeO3  =  + 1.0000 Mg++ + 1.0000 SeO3--
-        log_k           1.7191
-	-delta_H	-74.9647	kJ/mol	# Calculated enthalpy of reaction	MgSeO3
+       MgSeO3 = Mg+2 + SeO3-2
+        log_k 1.7191
+	-delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3
 #	Enthalpy of formation:	-215.15 kcal/mol
-        -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002
+        -analytic -2.2593e+2 -8.1045e-2 8.4609e+3 9.0278e+1 1.3209e+2
 #       -Range:  0-300
 
 MgSeO3:6H2O
-       MgSeO3:6H2O  =  + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O
-        log_k           -3.4222
-	-delta_H	11.7236	kJ/mol	# Calculated enthalpy of reaction	MgSeO3:6H2O
+       MgSeO3:6H2O = Mg+2 + SeO3-2 + 6 H2O
+        log_k -3.4222
+	-delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O
 #	Enthalpy of formation:	-645.771 kcal/mol
-        -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001
+        -analytic -1.2807e+2 -1.5418e-2 4.0565e+3 4.6728e+1 6.8929e+1
 #       -Range:  0-200
 
 MgUO4
-       MgUO4 +4.0000 H+  =  + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           23.0023
-	-delta_H	-199.336	kJ/mol	# Calculated enthalpy of reaction	MgUO4
+       MgUO4 + 4 H+ = Mg+2 + UO2+2 + 2 H2O
+        log_k 23.0023
+	-delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4
 #	Enthalpy of formation:	-1857.3 kJ/mol
-        -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002
+        -analytic -9.9954e+1 -2.0142e-2 1.3078e+4 3.4386e+1 2.041e+2
 #       -Range:  0-300
 
 MgV2O6
-       MgV2O6 +2.0000 H2O  =  + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -45.8458
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MgV2O6
+       MgV2O6 + 2 H2O = Mg+2 + 2 VO4-3 + 4 H+
+        log_k -45.8458
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6
 #	Enthalpy of formation:	-2201.88 kJ/mol
 
 Millerite
-        NiS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Ni++
-        log_k           -8.0345
-	-delta_H	12.089	kJ/mol	# Calculated enthalpy of reaction	Millerite
+        NiS + H+ = HS- + Ni+2
+        log_k -8.0345
+	-delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite
 #	Enthalpy of formation:	-82.171 kJ/mol
-        -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001
+        -analytic -1.4848e+2 -4.8834e-2 2.6981e+3 5.8976e+1 4.2145e+1
 #       -Range:  0-300
 
 Minium
-        Pb3O4 +8.0000 H+  =  + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O
-        log_k           16.2585
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Minium
+        Pb3O4 + 8 H+ = Pb+4 + 2 Pb+2 + 4 H2O
+        log_k 16.2585
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Minium
 #	Enthalpy of formation:	-718.493 kJ/mol
 
 Minnesotaite
-        Fe3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           13.9805
-	-delta_H	-105.211	kJ/mol	# Calculated enthalpy of reaction	Minnesotaite
+        Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
+        log_k 13.9805
+	-delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite
 #	Enthalpy of formation:	-1153.37 kcal/mol
-        -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006
+        -analytic -1.8812e+1 1.7261e-2 1.9804e+4 -6.441e+0 -2.0433e+6
 #       -Range:  0-300
 
 Mirabilite
-        Na2SO4:10H2O  =  + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O
-        log_k           -1.1398
-	-delta_H	79.4128	kJ/mol	# Calculated enthalpy of reaction	Mirabilite
+        Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+        log_k -1.1398
+	-delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite
 #	Enthalpy of formation:	-4328 kJ/mol
-        -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002
+        -analytic -2.1877e+2 -3.6692e-3 5.9214e+3 8.0361e+1 1.0063e+2
 #       -Range:  0-200
 
 Misenite
-        K8H6(SO4)7  =  + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+
-        log_k           -11.0757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Misenite
+        K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+
+        log_k -11.0757
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Misenite
 #	Enthalpy of formation:	0 kcal/mol
 
 Mn
-       Mn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mn++
-        log_k           82.9505
-	-delta_H	-500.369	kJ/mol	# Calculated enthalpy of reaction	Mn
+       Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
+        log_k 82.9505
+	-delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002
+        -analytic -6.5558e+1 -2.0429e-2 2.7571e+4 2.5098e+1 4.3024e+2
 #       -Range:  0-300
 
 Mn(OH)2(am)
-       Mn(OH)2 +2.0000 H+  =  + 1.0000 Mn++ + 2.0000 H2O
-        log_k           15.3102
-	-delta_H	-97.1779	kJ/mol	# Calculated enthalpy of reaction	Mn(OH)2(am)
+       Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+        log_k 15.3102
+	-delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am)
 #	Enthalpy of formation:	-695.096 kJ/mol
-        -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002
+        -analytic -7.8518e+1 -7.5357e-3 8.0198e+3 2.7955e+1 1.3621e+2
 #       -Range:  0-200
 
 Mn(OH)3
-       Mn(OH)3 +3.0000 H+  =  + 1.0000 Mn+++ + 3.0000 H2O
-        log_k           6.3412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn(OH)3
+       Mn(OH)3 + 3 H+ = Mn+3 + 3 H2O
+        log_k 6.3412
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Mn3(PO4)2
-       Mn3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Mn++
-        log_k           0.8167
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Mn3(PO4)2
+       Mn3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Mn+2
+        log_k 0.8167
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 MnCl2:2H2O
-       MnCl2:2H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           4.0067
-	-delta_H	-34.4222	kJ/mol	# Calculated enthalpy of reaction	MnCl2:2H2O
+       MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
+        log_k 4.0067
+	-delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O
 #	Enthalpy of formation:	-1092.01 kJ/mol
-        -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001
+        -analytic -6.2823e+1 -2.3959e-2 2.9931e+3 2.5834e+1 5.085e+1
 #       -Range:  0-200
 
 MnCl2:4H2O
-       MnCl2:4H2O  =  + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           2.7563
-	-delta_H	-10.7019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:4H2O
+       MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+        log_k 2.7563
+	-delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O
 #	Enthalpy of formation:	-1687.41 kJ/mol
-        -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001
+        -analytic -1.1049e+2 -2.3376e-2 4.0458e+3 4.3097e+1 6.8742e+1
 #       -Range:  0-200
 
 MnCl2:H2O
-       MnCl2:H2O  =  + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl-
-        log_k           5.5517
-	-delta_H	-50.8019	kJ/mol	# Calculated enthalpy of reaction	MnCl2:H2O
+       MnCl2:H2O = H2O + Mn+2 + 2 Cl-
+        log_k 5.5517
+	-delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O
 #	Enthalpy of formation:	-789.793 kJ/mol
-        -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001
+        -analytic -4.5051e+1 -2.5923e-2 2.8739e+3 1.9674e+1 4.8818e+1
 #       -Range:  0-200
 
 MnHPO4
-       MnHPO4  =  + 1.0000 HPO4-- + 1.0000 Mn++
-        log_k           -12.9470
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnHPO4
+       MnHPO4 = HPO4-2 + Mn+2
+        log_k -12.947
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
 #	Enthalpy of formation:	0 kcal/mol
 
 MnO2(gamma)
-       MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
-        log_k           -16.1261
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnO2(gamma)
+       MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
+        log_k -16.1261
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma)
 #	Enthalpy of formation:	0 kcal/mol
 
 MnSO4
-       MnSO4  =  + 1.0000 Mn++ + 1.0000 SO4--
-        log_k           2.6561
-	-delta_H	-64.8718	kJ/mol	# Calculated enthalpy of reaction	MnSO4
+       MnSO4 = Mn+2 + SO4-2
+        log_k 2.6561
+	-delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4
 #	Enthalpy of formation:	-1065.33 kJ/mol
-        -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002
+        -analytic -2.3088e+2 -8.2694e-2 8.1653e+3 9.3256e+1 1.2748e+2
 #       -Range:  0-300
 
 MnSe
-       MnSe  =  + 1.0000 Mn++ + 1.0000 Se--
-        log_k           -10.6848
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSe
+       MnSe = Mn+2 + Se-2
+        log_k -10.6848
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnSe
 #	Enthalpy of formation:	-37 kcal/mol
-        -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001
+        -analytic -5.996e+1 -1.5963e-2 1.2813e+3 2.0095e+1 2.001e+1
 #       -Range:  0-300
 
 MnSeO3
-       MnSeO3  =  + 1.0000 Mn++ + 1.0000 SeO3--
-        log_k           -7.2700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnSeO3
+       MnSeO3 = Mn+2 + SeO3-2
+        log_k -7.27
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3
 #	Enthalpy of formation:	0 kcal/mol
 
 MnSeO3:2H2O
-       MnSeO3:2H2O  =  + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O
-        log_k           -6.3219
-	-delta_H	14.0792	kJ/mol	# Calculated enthalpy of reaction	MnSeO3:2H2O
+       MnSeO3:2H2O = Mn+2 + SeO3-2 + 2 H2O
+        log_k -6.3219
+	-delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O
 #	Enthalpy of formation:	-314.423 kcal/mol
-        -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000
+        -analytic -4.3625e+1 -2.0426e-2 -2.5368e+2 1.7876e+1 -4.2927e+0
 #       -Range:  0-200
 
 MnV2O6
-       MnV2O6 +2.0000 H2O  =  + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+
-        log_k           -52.0751
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MnV2O6
+       MnV2O6 + 2 H2O = Mn+2 + 2 VO4-3 + 4 H+
+        log_k -52.0751
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6
 #	Enthalpy of formation:	-447.9 kcal/mol
 
 Mo
-       Mo +1.5000 O2 +1.0000 H2O  =  + 1.0000 MoO4-- + 2.0000 H+
-        log_k           109.3230
-	-delta_H	-693.845	kJ/mol	# Calculated enthalpy of reaction	Mo
+       Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
+        log_k 109.323
+	-delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005
+        -analytic -2.0021e+2 -8.3006e-2 4.1629e+4 8.0219e+1 -3.457e+5
 #       -Range:  0-300
 
 MoSe2
-       MoSe2 +3.0000 H2O +0.5000 O2  =  + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+
-        log_k           -55.1079
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	MoSe2
+       MoSe2 + 3 H2O + 0.5 O2 = MoO4-2 + 2 Se-2 + 6 H+
+        log_k -55.1079
+	-delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2
 #	Enthalpy of formation:	-47 kcal/mol
-        -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002
+        -analytic 1.3882e+2 -1.859e-3 -1.7231e+4 -5.4797e+1 -2.9265e+2
 #       -Range:  0-200
 
 Modderite
-        CoAs +3.0000 H+  =  + 1.0000 AsH3 + 1.0000 Co+++
-        log_k           -49.5512
-	-delta_H	189.016	kJ/mol	# Calculated enthalpy of reaction	Modderite
+        CoAs + 3 H+ = AsH3 + Co+3
+        log_k -49.5512
+	-delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite
 #	Enthalpy of formation:	-12.208 kcal/mol
 
 Molysite
-        FeCl3  =  + 1.0000 Fe+++ + 3.0000 Cl-
-        log_k           13.5517
-	-delta_H	-151.579	kJ/mol	# Calculated enthalpy of reaction	Molysite
+        FeCl3 = Fe+3 + 3 Cl-
+        log_k 13.5517
+	-delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite
 #	Enthalpy of formation:	-399.24 kJ/mol
-        -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002
+        -analytic -3.181e+2 -1.2357e-1 1.386e+4 1.301e+2 2.1637e+2
 #       -Range:  0-300
 
 Monohydrocalcite
-        CaCO3:H2O +1.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3-
-        log_k           2.6824
-	-delta_H	-20.5648	kJ/mol	# Calculated enthalpy of reaction	Monohydrocalcite
+        CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
+        log_k 2.6824
+	-delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite
 #	Enthalpy of formation:	-1498.29 kJ/mol
-        -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001
+        -analytic -7.2614e+1 -1.7217e-2 3.185e+3 2.8185e+1 5.4111e+1
 #       -Range:  0-200
 
 Monteponite
-        CdO +2.0000 H+  =  + 1.0000 Cd++ + 1.0000 H2O
-        log_k           15.0972
-	-delta_H	-103.386	kJ/mol	# Calculated enthalpy of reaction	Monteponite
+        CdO + 2 H+ = Cd+2 + H2O
+        log_k 15.0972
+	-delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite
 #	Enthalpy of formation:	-258.35 kJ/mol
-        -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002
+        -analytic -5.0057e+1 -6.3629e-3 7.0898e+3 1.7486e+1 1.2041e+2
 #       -Range:  0-200
 
 Monticellite
-        CaMgSiO4 +4.0000 H+  =  + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           29.5852
-	-delta_H	-195.711	kJ/mol	# Calculated enthalpy of reaction	Monticellite
+        CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
+        log_k 29.5852
+	-delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite
 #	Enthalpy of formation:	-540.8 kcal/mol
-        -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002
+        -analytic 1.573e+1 -3.5567e-3 9.0789e+3 -6.3007e+0 1.4166e+2
 #       -Range:  0-300
 
 Montmor-Ca
-        Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.4952
-	-delta_H	-100.154	kJ/mol	# Calculated enthalpy of reaction	Montmor-Ca
+        Ca.165Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.165 Ca+2 + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
+        log_k 2.4952
+	-delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca
 #	Enthalpy of formation:	-1361.5 kcal/mol
-        -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006
+        -analytic 6.0725e+0 1.0644e-2 1.6024e+4 -1.6334e+1 -1.7982e+6
 #       -Range:  0-300
 
 Montmor-Cs
-        Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           1.9913
-	-delta_H	-87.2259	kJ/mol	# Calculated enthalpy of reaction	Montmor-Cs
+        Cs.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
+        log_k 1.9913
+	-delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs
 #	Enthalpy of formation:	-1363.52 kcal/mol
-        -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006
+        -analytic 9.9136e+0 1.2496e-2 1.565e+4 -1.7601e+1 -1.8434e+6
 #       -Range:  0-300
 
 Montmor-K
-        K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.1423
-	-delta_H	-88.184	kJ/mol	# Calculated enthalpy of reaction	Montmor-K
+        K.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 K+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
+        log_k 2.1423
+	-delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K
 #	Enthalpy of formation:	-1362.83 kcal/mol
-        -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006
+        -analytic 8.4757e+0 1.1219e-2 1.5654e+4 -1.6833e+1 -1.8386e+6
 #       -Range:  0-300
 
 Montmor-Mg
-        Mg.495Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.3879
-	-delta_H	-102.608	kJ/mol	# Calculated enthalpy of reaction	Montmor-Mg
+        Mg.495Al1.67Si4O10(OH)2 + 6 H+ = 0.495 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
+        log_k 2.3879
+	-delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg
 #	Enthalpy of formation:	-1357.87 kcal/mol
-        -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006
+        -analytic -6.8505e+0 9.071e-3 1.6817e+4 -1.1887e+1 -1.8323e+6
 #       -Range:  0-300
 
 Montmor-Na
-        Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+  =  + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           2.4844
-	-delta_H	-93.2165	kJ/mol	# Calculated enthalpy of reaction	Montmor-Na
+        Na.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Mg+2 + 0.33 Na+ + 1.67 Al+3 + 4 H2O + 4 SiO2
+        log_k 2.4844
+	-delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na
 #	Enthalpy of formation:	-1360.69 kcal/mol
-        -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006
+        -analytic 1.9601e+0 1.1342e-2 1.6051e+4 -1.4718e+1 -1.816e+6
 #       -Range:  0-300
 
 Montroydite
-        HgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Hg++
-        log_k           2.4486
-	-delta_H	-24.885	kJ/mol	# Calculated enthalpy of reaction	Montroydite
+        HgO + 2 H+ = H2O + Hg+2
+        log_k 2.4486
+	-delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite
 #	Enthalpy of formation:	-90.79 kJ/mol
-        -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001
+        -analytic -8.7302e+1 -1.7618e-2 4.0086e+3 3.2957e+1 6.2576e+1
 #       -Range:  0-300
 
 Mordenite
-        Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O
-        log_k           -5.1969
-	-delta_H	16.7517	kJ/mol	# Calculated enthalpy of reaction	Mordenite
+        Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
+        log_k -5.1969
+	-delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite
 #	Enthalpy of formation:	-6736.64 kJ/mol
-        -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006
+        -analytic -5.4675e+1 3.2513e-2 2.3412e+4 -1.0419e+0 -3.2292e+6
 #       -Range:  0-300
 
 Mordenite-dehy
-        Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+  =  + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2
-        log_k           9.9318
-	-delta_H	-86.159	kJ/mol	# Calculated enthalpy of reaction	Mordenite-dehy
+        Ca.2895Na.361Al.94Si5.06O12 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 1.88 H2O + 5.06 SiO2
+        log_k 9.9318
+	-delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy
 #	Enthalpy of formation:	-5642.44 kJ/mol
-        -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006
+        -analytic -5.0841e+1 2.5405e-2 2.7621e+4 -1.6331e+0 -3.1618e+6
 #       -Range:  0-300
 
 Morenosite
-        NiSO4:7H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O
-        log_k           -2.0140
-	-delta_H	12.0185	kJ/mol	# Calculated enthalpy of reaction	Morenosite
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+        log_k -2.014
+	-delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite
 #	Enthalpy of formation:	-2976.46 kJ/mol
-        -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002
+        -analytic -2.6654e+2 -7.2132e-2 6.7983e+3 1.0636e+2 1.0616e+2
 #       -Range:  0-300
 
 Muscovite
-        KAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           13.5858
-	-delta_H	-243.224	kJ/mol	# Calculated enthalpy of reaction	Muscovite
+        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
+        log_k 13.5858
+	-delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite
 #	Enthalpy of formation:	-1427.41 kcal/mol
-        -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005
+        -analytic 3.3085e+1 -1.2425e-2 1.2477e+4 -2.0865e+1 -5.4692e+5
 #       -Range:  0-300
 
 NH4HSe
-       NH4HSe  =  + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+
-        log_k           -22.0531
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NH4HSe
+       NH4HSe = NH3 + Se-2 + 2 H+
+        log_k -22.0531
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe
 #	Enthalpy of formation:	-133.041 kJ/mol
-        -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001
+        -analytic -8.8685e+0 6.7342e-3 -5.3028e+3 1.0468e+0 -9.0046e+1
 #       -Range:  0-200
 Na
-       Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+
-        log_k           67.3804
-	-delta_H	-380.185	kJ/mol	# Calculated enthalpy of reaction	Na
+       Na + H+ + 0.25 O2 = 0.5 H2O + Na+
+        log_k 67.3804
+	-delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004
+        -analytic -4.0458e+1 -8.7899e-3 2.1223e+4 1.5927e+1 -1.2715e+4
 #       -Range:  0-300
 
 Na2CO3
-       Na2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+
-        log_k           11.1822
-	-delta_H	-39.8526	kJ/mol	# Calculated enthalpy of reaction	Na2CO3
+       Na2CO3 + H+ = HCO3- + 2 Na+
+        log_k 11.1822
+	-delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3
 #	Enthalpy of formation:	-1130.68 kJ/mol
-        -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002
+        -analytic -1.5495e+2 -4.3374e-2 6.4821e+3 6.3571e+1 1.0119e+2
 #       -Range:  0-300
 
 Na2CO3:7H2O
-       Na2CO3:7H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O
-        log_k           9.9459
-	-delta_H	27.7881	kJ/mol	# Calculated enthalpy of reaction	Na2CO3:7H2O
+       Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
+        log_k 9.9459
+	-delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O
 #	Enthalpy of formation:	-3199.19 kJ/mol
-        -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002
+        -analytic -2.0593e+2 -3.4509e-3 8.1601e+3 7.6594e+1 1.3864e+2
 #       -Range:  0-200
 
 Na2Cr2O7
-       Na2Cr2O7 +1.0000 H2O  =  + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+
-        log_k           -10.1597
-	-delta_H	21.9702	kJ/mol	# Calculated enthalpy of reaction	Na2Cr2O7
+       Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
+        log_k -10.1597
+	-delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7
 #	Enthalpy of formation:	-473 kcal/mol
-        -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001
+        -analytic 4.4885e+1 -2.4919e-2 -5.0321e+3 -1.243e+1 -8.5468e+1
 #       -Range:  0-200
 
 Na2CrO4
-       Na2CrO4  =  + 1.0000 CrO4-- + 2.0000 Na+
-        log_k           2.9103
-	-delta_H	-19.5225	kJ/mol	# Calculated enthalpy of reaction	Na2CrO4
+       Na2CrO4 = CrO4-2 + 2 Na+
+        log_k 2.9103
+	-delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4
 #	Enthalpy of formation:	-320.8 kcal/mol
-        -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000
+        -analytic 5.4985e+0 -9.9008e-3 1.051e+2 0e+0 0e+0
 #       -Range:  0-200
 
 Na2O
-       Na2O +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+
-        log_k           67.4269
-	-delta_H	-351.636	kJ/mol	# Calculated enthalpy of reaction	Na2O
+       Na2O + 2 H+ = H2O + 2 Na+
+        log_k 67.4269
+	-delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O
 #	Enthalpy of formation:	-99.14 kcal/mol
-        -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002
+        -analytic -6.3585e+1 -8.4695e-3 2.0923e+4 2.5601e+1 3.2651e+2
 #       -Range:  0-300
 
 Na2Se
-       Na2Se  =  + 1.0000 Se-- + 2.0000 Na+
-        log_k           11.8352
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se
+       Na2Se = Se-2 + 2 Na+
+        log_k 11.8352
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se
 #	Enthalpy of formation:	-81.9 kcal/mol
-        -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000
+        -analytic -6.007e+0 8.2821e-3 4.5816e+3 0e+0 0e+0
 #       -Range:  0-200
 
 Na2Se2
-       Na2Se2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se--
-        log_k           -61.3466
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na2Se2
+       Na2Se2 + H2O = 0.5 O2 + 2 H+ + 2 Na+ + 2 Se-2
+        log_k -61.3466
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2
 #	Enthalpy of formation:	-92.8 kcal/mol
-        -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002
+        -analytic -2.7836e+1 7.7035e-3 -1.504e+4 5.9131e+0 -2.5539e+2
 #       -Range:  0-200
 
 Na2SiO3
-       Na2SiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+
-        log_k           22.2418
-	-delta_H	-82.7093	kJ/mol	# Calculated enthalpy of reaction	Na2SiO3
+       Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
+        log_k 22.2418
+	-delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3
 #	Enthalpy of formation:	-373.19 kcal/mol
-        -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005
+        -analytic -3.4928e+1 5.6905e-3 1.0284e+4 1.1197e+1 -6.0134e+5
 #       -Range:  0-300
 
 Na2U2O7
-       Na2U2O7 +6.0000 H+  =  + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O
-        log_k           22.5917
-	-delta_H	-172.314	kJ/mol	# Calculated enthalpy of reaction	Na2U2O7
+       Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
+        log_k 22.5917
+	-delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7
 #	Enthalpy of formation:	-3203.8 kJ/mol
-        -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002
+        -analytic -8.664e+1 -1.0903e-2 1.1841e+4 2.9406e+1 1.8479e+2
 #       -Range:  0-300
 
 Na2UO4(alpha)
-       Na2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+
-        log_k           30.0231
-	-delta_H	-173.576	kJ/mol	# Calculated enthalpy of reaction	Na2UO4(alpha)
+       Na2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Na+
+        log_k 30.0231
+	-delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha)
 #	Enthalpy of formation:	-1897.7 kJ/mol
-        -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002
+        -analytic -7.9767e+1 -1.0253e-2 1.1963e+4 2.9386e+1 1.8669e+2
 #       -Range:  0-300
 
 Na3H(SO4)2
-       Na3H(SO4)2  =  + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+
-        log_k           -0.8906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na3H(SO4)2
+       Na3H(SO4)2 = H+ + 2 SO4-2 + 3 Na+
+        log_k -0.8906
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Na3UO4
-       Na3UO4 +4.0000 H+  =  + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+
-        log_k           56.2574
-	-delta_H	-293.703	kJ/mol	# Calculated enthalpy of reaction	Na3UO4
+       Na3UO4 + 4 H+ = UO2+ + 2 H2O + 3 Na+
+        log_k 56.2574
+	-delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4
 #	Enthalpy of formation:	-2024 kJ/mol
-        -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002
+        -analytic -9.6724e+1 -6.2485e-3 1.9469e+4 3.618e+1 3.0382e+2
 #       -Range:  0-300
 
 Na4Ca(SO4)3:2H2O
-       Na4Ca(SO4)3:2H2O  =  + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+
-        log_k           -5.8938
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4Ca(SO4)3:2H2O
+       Na4Ca(SO4)3:2H2O = Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+
+        log_k -5.8938
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Na4SiO4
-       Na4SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+
-        log_k           70.6449
-	-delta_H	-327.779	kJ/mol	# Calculated enthalpy of reaction	Na4SiO4
+       Na4SiO4 + 4 H+ = SiO2 + 2 H2O + 4 Na+
+        log_k 70.6449
+	-delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4
 #	Enthalpy of formation:	-497.8 kcal/mol
-        -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005
+        -analytic -1.1969e+2 -6.5032e-3 2.6469e+4 4.4626e+1 -6.2007e+5
 #       -Range:  0-300
 
 Na4UO2(CO3)3
-       Na4UO2(CO3)3 +3.0000 H+  =  + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+
-        log_k           4.0395
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Na4UO2(CO3)3
+       Na4UO2(CO3)3 + 3 H+ = UO2+2 + 3 HCO3- + 4 Na+
+        log_k 4.0395
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Na6Si2O7
-       Na6Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+
-        log_k           101.6199
-	-delta_H	-471.951	kJ/mol	# Calculated enthalpy of reaction	Na6Si2O7
+       Na6Si2O7 + 6 H+ = 2 SiO2 + 3 H2O + 6 Na+
+        log_k 101.6199
+	-delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7
 #	Enthalpy of formation:	-856.3 kcal/mol
-        -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006
+        -analytic -1.059e+2 4.5576e-3 3.683e+4 3.803e+1 -1.0276e+6
 #       -Range:  0-300
 
 NaBr
-       NaBr  =  + 1.0000 Br- + 1.0000 Na+
-        log_k           2.9739
-	-delta_H	-0.741032	kJ/mol	# Calculated enthalpy of reaction	NaBr
+       NaBr = Br- + Na+
+        log_k 2.9739
+	-delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr
 #	Enthalpy of formation:	-361.062 kJ/mol
-        -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001
+        -analytic -9.3227e+1 -3.278e-2 2.291e+3 3.9713e+1 3.5777e+1
 #       -Range:  0-300
 
 NaBr:2H2O
-       NaBr:2H2O  =  + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O
-        log_k           2.1040
-	-delta_H	18.4883	kJ/mol	# Calculated enthalpy of reaction	NaBr:2H2O
+       NaBr:2H2O = Br- + Na+ + 2 H2O
+        log_k 2.104
+	-delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O
 #	Enthalpy of formation:	-951.968 kJ/mol
-        -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001
+        -analytic -4.1855e+1 -4.617e-3 8.3883e+2 1.7182e+1 1.4259e+1
 #       -Range:  0-200
 
 NaFeO2
-       NaFeO2 +4.0000 H+  =  + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O
-        log_k           19.8899
-	-delta_H	-163.339	kJ/mol	# Calculated enthalpy of reaction	NaFeO2
+       NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
+        log_k 19.8899
+	-delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2
 #	Enthalpy of formation:	-698.218 kJ/mol
-        -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002
+        -analytic -7.0047e+1 -9.6226e-3 1.0647e+4 2.3071e+1 1.8082e+2
 #       -Range:  0-200
 
 NaNpO2CO3:3.5H2O
-       NaNpO2CO3:3.5H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O
-        log_k           -1.2342
-	-delta_H	27.0979	kJ/mol	# Calculated enthalpy of reaction	NaNpO2CO3:3.5H2O
+       NaNpO2CO3:3.5H2O + H+ = HCO3- + Na+ + NpO2+ + 3.5 H2O
+        log_k -1.2342
+	-delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O
 #	Enthalpy of formation:	-2935.76 kJ/mol
-        -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001
+        -analytic -1.4813e+2 -2.7355e-2 3.6537e+3 5.7701e+1 5.7055e+1
 #       -Range:  0-300
 
 NaTcO4
-       NaTcO4  =  + 1.0000 Na+ + 1.0000 TcO4-
-        log_k           1.5208
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NaTcO4
+       NaTcO4 = Na+ + TcO4-
+        log_k 1.5208
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4
 #	Enthalpy of formation:	0 kcal/mol
 
 NaUO3
-       NaUO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+
-        log_k           8.3371
-	-delta_H	-56.365	kJ/mol	# Calculated enthalpy of reaction	NaUO3
+       NaUO3 + 2 H+ = H2O + Na+ + UO2+
+        log_k 8.3371
+	-delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3
 #	Enthalpy of formation:	-1494.9 kJ/mol
-        -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001
+        -analytic -3.6363e+1 7.0505e-4 4.5359e+3 1.1828e+1 7.079e+1
 #       -Range:  0-300
 
 Nahcolite
-        NaHCO3  =  + 1.0000 HCO3- + 1.0000 Na+
-        log_k           -0.1118
-	-delta_H	17.0247	kJ/mol	# Calculated enthalpy of reaction	Nahcolite
+        NaHCO3 = HCO3- + Na+
+        log_k -0.1118
+	-delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite
 #	Enthalpy of formation:	-226.4 kcal/mol
-        -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001
+        -analytic -2.2282e+2 -5.9693e-2 5.4887e+3 8.9744e+1 8.5712e+1
 #       -Range:  0-300
 
 Nantokite
-        CuCl  =  + 1.0000 Cl- + 1.0000 Cu+
-        log_k           -6.7623
-	-delta_H	41.9296	kJ/mol	# Calculated enthalpy of reaction	Nantokite
+        CuCl = Cl- + Cu+
+        log_k -6.7623
+	-delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite
 #	Enthalpy of formation:	-137.329 kJ/mol
-        -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001
+        -analytic -2.2442e+1 -1.1201e-2 -1.8709e+3 1.0221e+1 -3.1763e+1
 #       -Range:  0-200
 
 Natrolite
-        Na2Al2Si3O10:2H2O +8.0000 H+  =  + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           18.5204
-	-delta_H	-186.971	kJ/mol	# Calculated enthalpy of reaction	Natrolite
+        Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
+        log_k 18.5204
+	-delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite
 #	Enthalpy of formation:	-5718.56 kJ/mol
-        -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005
+        -analytic -2.7712e+1 -2.7963e-3 1.6075e+4 1.5332e+0 -9.5765e+5
 #       -Range:  0-300
 
 Natron
-        Na2CO3:10H2O +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O
-        log_k           9.6102
-	-delta_H	50.4781	kJ/mol	# Calculated enthalpy of reaction	Natron
+        Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
+        log_k 9.6102
+	-delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron
 #	Enthalpy of formation:	-4079.39 kJ/mol
-        -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001
+        -analytic -1.9981e+2 -2.9247e-2 5.2937e+3 8.0973e+1 8.2662e+1
 #       -Range:  0-300
 
 Natrosilite
-        Na2Si2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2
-        log_k           18.1337
-	-delta_H	-51.7686	kJ/mol	# Calculated enthalpy of reaction	Natrosilite
+        Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
+        log_k 18.1337
+	-delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite
 #	Enthalpy of formation:	-590.36 kcal/mol
-        -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006
+        -analytic -2.7628e+1 1.6865e-2 1.3302e+4 4.2356e+0 -1.2828e+6
 #       -Range:  0-300
 
 Naumannite
-        Ag2Se  =  + 1.0000 Se-- + 2.0000 Ag+
-        log_k           -57.4427
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Naumannite
+        Ag2Se = Se-2 + 2 Ag+
+        log_k -57.4427
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite
 #	Enthalpy of formation:	-37.441 kJ/mol
-        -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002
+        -analytic -5.3844e+1 -1.0965e-2 -1.4739e+4 1.9842e+1 -2.2998e+2
 #       -Range:  0-300
 
 Nd
-       Nd +3.0000 H+ +0.7500 O2  =  + 1.0000 Nd+++ + 1.5000 H2O
-        log_k           182.2233
-	-delta_H	-1116.29	kJ/mol	# Calculated enthalpy of reaction	Nd
+       Nd + 3 H+ + 0.75 O2 = Nd+3 + 1.5 H2O
+        log_k 182.2233
+	-delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005
+        -analytic -2.739e+2 -5.6545e-2 7.1502e+4 9.7969e+1 -8.2482e+5
 #       -Range:  0-300
 
 Nd(OH)3
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           18.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3
+       Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
+        log_k 18.0852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Nd(OH)3(am)
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           20.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(am)
+       Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
+        log_k 20.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Nd(OH)3(c)
-       Nd(OH)3 +3.0000 H+  =  + 1.0000 Nd+++ + 3.0000 H2O
-        log_k           15.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd(OH)3(c)
+       Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
+        log_k 15.7852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c)
 #	Enthalpy of formation:	0 kcal/mol
 
 Nd2(CO3)3
-       Nd2(CO3)3 +3.0000 H+  =  + 2.0000 Nd+++ + 3.0000 HCO3-
-        log_k           -3.6636
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2(CO3)3
+       Nd2(CO3)3 + 3 H+ = 2 Nd+3 + 3 HCO3-
+        log_k -3.6636
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Nd2O3
-       Nd2O3 +6.0000 H+  =  + 2.0000 Nd+++ + 3.0000 H2O
-        log_k           58.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Nd2O3
+       Nd2O3 + 6 H+ = 2 Nd+3 + 3 H2O
+        log_k 58.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 NdF3:.5H2O
-       NdF3:.5H2O  =  + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F-
-        log_k           -18.6000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdF3:.5H2O
+       NdF3:.5H2O = 0.5 H2O + Nd+3 + 3 F-
+        log_k -18.6
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 NdOHCO3
-       NdOHCO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++
-        log_k           2.8239
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdOHCO3
+       NdOHCO3 + 2 H+ = H2O + HCO3- + Nd+3
+        log_k 2.8239
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3
 #	Enthalpy of formation:	0 kcal/mol
 
 NdPO4:10H2O
-       NdPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NdPO4:10H2O
+       NdPO4:10H2O + H+ = HPO4-2 + Nd+3 + 10 H2O
+        log_k -12.1782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Nepheline
-        NaAlSiO4 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O
-        log_k           13.8006
-	-delta_H	-135.068	kJ/mol	# Calculated enthalpy of reaction	Nepheline
+        NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
+        log_k 13.8006
+	-delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline
 #	Enthalpy of formation:	-500.241 kcal/mol
-        -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005
+        -analytic -2.4856e+1 -8.8171e-3 8.5653e+3 6.0904e+0 -2.2786e+5
 #       -Range:  0-300
 
 Nesquehonite
-        MgCO3:3H2O +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O
-        log_k           4.9955
-	-delta_H	-36.1498	kJ/mol	# Calculated enthalpy of reaction	Nesquehonite
+        MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
+        log_k 4.9955
+	-delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite
 #	Enthalpy of formation:	-472.576 kcal/mol
-        -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006
+        -analytic 1.3771e+2 -6.0397e-2 -3.5049e+4 -1.8831e+1 4.4213e+6
 #       -Range:  0-300
 
 Ni
-       Ni +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ni++
-        log_k           50.9914
-	-delta_H	-333.745	kJ/mol	# Calculated enthalpy of reaction	Ni
+       Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
+        log_k 50.9914
+	-delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002
+        -analytic -5.8308e+1 -2.0133e-2 1.8444e+4 2.159e+1 2.8781e+2
 #       -Range:  0-300
 
 Ni(OH)2
-       Ni(OH)2 +2.0000 H+  =  + 1.0000 Ni++ + 2.0000 H2O
-        log_k           12.7485
-	-delta_H	-95.6523	kJ/mol	# Calculated enthalpy of reaction	Ni(OH)2
+       Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+        log_k 12.7485
+	-delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2
 #	Enthalpy of formation:	-529.998 kJ/mol
-        -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002
+        -analytic -6.5279e+1 -5.9499e-3 7.3471e+3 2.229e+1 1.2479e+2
 #       -Range:  0-200
 
 Ni2P2O7
-       Ni2P2O7 +1.0000 H2O  =  + 2.0000 HPO4-- + 2.0000 Ni++
-        log_k           -8.8991
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni2P2O7
+       Ni2P2O7 + H2O = 2 HPO4-2 + 2 Ni+2
+        log_k -8.8991
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7
 #	Enthalpy of formation:	0 kcal/mol
 
 Ni2SiO4
-       Ni2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++
-        log_k           14.3416
-	-delta_H	-127.629	kJ/mol	# Calculated enthalpy of reaction	Ni2SiO4
+       Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
+        log_k 14.3416
+	-delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4
 #	Enthalpy of formation:	-341.705 kcal/mol
-        -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005
+        -analytic -4.0414e+1 -1.1194e-2 9.6515e+3 1.2026e+1 -3.6336e+5
 #       -Range:  0-300
 
 Ni3(PO4)2
-       Ni3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ni++
-        log_k           -6.6414
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ni3(PO4)2
+       Ni3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ni+2
+        log_k -6.6414
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 NiCO3
-       NiCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Ni++
-        log_k           3.5118
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiCO3
+       NiCO3 + H+ = HCO3- + Ni+2
+        log_k 3.5118
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3
 #	Enthalpy of formation:	0 kcal/mol
 
 NiCl2
-       NiCl2  =  + 1.0000 Ni++ + 2.0000 Cl-
-        log_k           8.6113
-	-delta_H	-82.7969	kJ/mol	# Calculated enthalpy of reaction	NiCl2
+       NiCl2 = Ni+2 + 2 Cl-
+        log_k 8.6113
+	-delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2
 #	Enthalpy of formation:	-305.336 kJ/mol
-        -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001
+        -analytic -1.2416e+0 -2.3139e-2 2.6529e+3 3.1696e+0 4.5052e+1
 #       -Range:  0-200
 
 NiCl2:2H2O
-       NiCl2:2H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           3.9327
-	-delta_H	-37.6746	kJ/mol	# Calculated enthalpy of reaction	NiCl2:2H2O
+       NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
+        log_k 3.9327
+	-delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O
 #	Enthalpy of formation:	-922.135 kJ/mol
-        -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001
+        -analytic -4.8814e+1 -2.2602e-2 2.5951e+3 2.0518e+1 4.4086e+1
 #       -Range:  0-200
 
 NiCl2:4H2O
-       NiCl2:4H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O
-        log_k           3.8561
-	-delta_H	-15.4373	kJ/mol	# Calculated enthalpy of reaction	NiCl2:4H2O
+       NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O
+        log_k 3.8561
+	-delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O
 #	Enthalpy of formation:	-1516.05 kJ/mol
-        -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001
+        -analytic -1.0545e+2 -2.4691e-2 3.9978e+3 4.1727e+1 6.7926e+1
 #       -Range:  0-200
 
 NiF2
-       NiF2  =  + 1.0000 Ni++ + 2.0000 F-
-        log_k           0.8772
-	-delta_H	-73.1438	kJ/mol	# Calculated enthalpy of reaction	NiF2
+       NiF2 = Ni+2 + 2 F-
+        log_k 0.8772
+	-delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2
 #	Enthalpy of formation:	-651.525 kJ/mol
-        -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002
+        -analytic -2.5291e+2 -8.4179e-2 9.3429e+3 1.0002e+2 1.4586e+2
 #       -Range:  0-300
 
 NiF2:4H2O
-       NiF2:4H2O  =  + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O
-        log_k           -4.0588
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	NiF2:4H2O
+       NiF2:4H2O = Ni+2 + 2 F- + 4 H2O
+        log_k -4.0588
+	-delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 NiSO4
-       NiSO4  =  + 1.0000 Ni++ + 1.0000 SO4--
-        log_k           5.3197
-	-delta_H	-90.5092	kJ/mol	# Calculated enthalpy of reaction	NiSO4
+       NiSO4 = Ni+2 + SO4-2
+        log_k 5.3197
+	-delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4
 #	Enthalpy of formation:	-873.066 kJ/mol
-        -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002
+        -analytic -1.8878e+2 -7.6403e-2 7.9412e+3 7.6866e+1 1.2397e+2
 #       -Range:  0-300
 
 NiSO4:6H2O(alpha)
-       NiSO4:6H2O  =  + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O
-        log_k           -2.0072
-	-delta_H	4.37983	kJ/mol	# Calculated enthalpy of reaction	NiSO4:6H2O(alpha)
+       NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+        log_k -2.0072
+	-delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha)
 #	Enthalpy of formation:	-2682.99 kJ/mol
-        -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001
+        -analytic -1.1937e+2 -1.3785e-2 4.1543e+3 4.3454e+1 7.0587e+1
 #       -Range:  0-200
 
 Nickelbischofite
-        NiCl2:6H2O  =  + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           3.1681
-	-delta_H	0.064088	kJ/mol	# Calculated enthalpy of reaction	Nickelbischofite
+        NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
+        log_k 3.1681
+	-delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite
 #	Enthalpy of formation:	-2103.23 kJ/mol
-        -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001
+        -analytic -1.434e+2 -2.1257e-2 5.1858e+3 5.4759e+1 8.8112e+1
 #       -Range:  0-200
 
 Ningyoite
-        CaUP2O8:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4--
-        log_k           -29.7931
-	-delta_H	-36.4769	kJ/mol	# Calculated enthalpy of reaction	Ningyoite
+        CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
+        log_k -29.7931
+	-delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite
 #	Enthalpy of formation:	-1016.65 kcal/mol
-        -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001
+        -analytic -1.0274e+2 -4.9041e-2 1.7779e+3 3.2973e+1 3.0227e+1
 #       -Range:  0-200
 
 Niter
-        KNO3  =  + 1.0000 K+ + 1.0000 NO3-
-        log_k           -0.2061
-	-delta_H	35.4794	kJ/mol	# Calculated enthalpy of reaction	Niter
+        KNO3 = K+ + NO3-
+        log_k -0.2061
+	-delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter
 #	Enthalpy of formation:	-494.46 kJ/mol
-        -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000
+        -analytic -6.5607e+1 -2.8165e-2 -4.0131e+2 3.0361e+1 -6.2425e+0
 #       -Range:  0-300
 
 Nitrobarite
-        Ba(NO3)2  =  + 1.0000 Ba++ + 2.0000 NO3-
-        log_k           -2.4523
-	-delta_H	40.8161	kJ/mol	# Calculated enthalpy of reaction	Nitrobarite
+        Ba(NO3)2 = Ba+2 + 2 NO3-
+        log_k -2.4523
+	-delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite
 #	Enthalpy of formation:	-992.082 kJ/mol
-        -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001
+        -analytic -1.6179e+2 -6.5831e-2 1.2142e+3 7.0664e+1 1.8995e+1
 #       -Range:  0-300
 
 Nontronite-Ca
-        Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.5822
-	-delta_H	-38.138	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Ca
+        Ca.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
+        log_k -11.5822
+	-delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca
 #	Enthalpy of formation:	-1166.7 kcal/mol
-        -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006
+        -analytic 1.6291e+1 4.3557e-3 1.0221e+4 -1.869e+1 -1.5427e+6
 #       -Range:  0-300
 
 Nontronite-Cs
-        Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+  =  + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           5.7975
-	-delta_H	-86.6996	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Cs
+        Cs.33Si4Fe1.67Mg.33H2O12 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Fe+3 + 4 H2O + 4 SiO2
+        log_k 5.7975
+	-delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs
 #	Enthalpy of formation:	-1168.54 kcal/mol
-        -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006
+        -analytic -1.1646e+1 1.0033e-2 1.7668e+4 -9.0129e+0 -2.0143e+6
 #       -Range:  0-300
 
 Nontronite-H
-        H.33Fe2Al.33Si3.67H2O12 +6.9900 H+  =  + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -12.5401
-	-delta_H	-30.452	kJ/mol	# Calculated enthalpy of reaction	Nontronite-H
+        H.33Fe2Al.33Si3.67H2O12 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
+        log_k -12.5401
+	-delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H
 #	Enthalpy of formation:	-1147.12 kcal/mol
-        -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006
+        -analytic 9.7794e+1 1.4055e-2 4.744e+3 -4.7272e+1 -1.2103e+6
 #       -Range:  0-300
 
 Nontronite-K
-        K.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.8648
-	-delta_H	-26.5822	kJ/mol	# Calculated enthalpy of reaction	Nontronite-K
+        K.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
+        log_k -11.8648
+	-delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K
 #	Enthalpy of formation:	-1167.93 kcal/mol
-        -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006
+        -analytic 1.363e+1 4.7708e-3 1.0073e+4 -1.7407e+1 -1.5803e+6
 #       -Range:  0-300
 
 Nontronite-Mg
-        Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.6200
-	-delta_H	-41.1779	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Mg
+        Mg.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
+        log_k -11.62
+	-delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg
 #	Enthalpy of formation:	-1162.93 kcal/mol
-        -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006
+        -analytic 5.5961e+1 1.0139e-2 8.0777e+3 -3.3164e+1 -1.4031e+6
 #       -Range:  0-300
 
 Nontronite-Na
-        Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           -11.5263
-	-delta_H	-31.5687	kJ/mol	# Calculated enthalpy of reaction	Nontronite-Na
+        Na.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
+        log_k -11.5263
+	-delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na
 #	Enthalpy of formation:	-1165.8 kcal/mol
-        -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006
+        -analytic 6.7915e+1 1.2851e-2 7.1218e+3 -3.7112e+1 -1.3758e+6
 #       -Range:  0-300
 
 Np
-       Np +4.0000 H+ +1.0000 O2  =  + 1.0000 Np++++ + 2.0000 H2O
-        log_k           174.1077
-	-delta_H	-1115.54	kJ/mol	# Calculated enthalpy of reaction	Np
+       Np + 4 H+ + O2 = Np+4 + 2 H2O
+        log_k 174.1077
+	-delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002
+        -analytic -3.2136e+1 -1.434e-2 5.7853e+4 6.6512e+0 9.0275e+2
 #       -Range:  0-300
 
 Np(HPO4)2
-       Np(HPO4)2  =  + 1.0000 Np++++ + 2.0000 HPO4--
-        log_k           -30.9786
-	-delta_H	-18.6219	kJ/mol	# Calculated enthalpy of reaction	Np(HPO4)2
+       Np(HPO4)2 = Np+4 + 2 HPO4-2
+        log_k -30.9786
+	-delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
 #	Enthalpy of formation:	-3121.54 kJ/mol
-        -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002
+        -analytic -3.6627e+2 -1.3955e-1 7.137e+3 1.4261e+2 1.1147e+2
 #       -Range:  0-300
 
 Np(OH)4
-       Np(OH)4 +4.0000 H+  =  + 1.0000 Np++++ + 4.0000 H2O
-        log_k           0.8103
-	-delta_H	-78.4963	kJ/mol	# Calculated enthalpy of reaction	Np(OH)4
+       Np(OH)4 + 4 H+ = Np+4 + 4 H2O
+        log_k 0.8103
+	-delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4
 #	Enthalpy of formation:	-1620.86 kJ/mol
-        -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002
+        -analytic -9.5122e+1 -1.0532e-2 7.1132e+3 3.0398e+1 1.1102e+2
 #       -Range:  0-300
 
 Np2O5
-       Np2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 NpO2+
-        log_k           9.5000
-	-delta_H	-94.4576	kJ/mol	# Calculated enthalpy of reaction	Np2O5
+       Np2O5 + 2 H+ = H2O + 2 NpO2+
+        log_k 9.5
+	-delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5
 #	Enthalpy of formation:	-513.232 kcal/mol
-        -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003
+        -analytic 5.9974e+3 1.4553e+0 -1.7396e+5 -2.3595e+3 -2.9689e+3
 #       -Range: 25-150
 
 NpO2
-       NpO2 +4.0000 H+  =  + 1.0000 Np++++ + 2.0000 H2O
-        log_k           -7.8026
-	-delta_H	-53.6087	kJ/mol	# Calculated enthalpy of reaction	NpO2
+       NpO2 + 4 H+ = Np+4 + 2 H2O
+        log_k -7.8026
+	-delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2
 #	Enthalpy of formation:	-1074.07 kJ/mol
-        -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001
+        -analytic -7.0053e+1 -1.1017e-2 4.4742e+3 2.0421e+1 6.9836e+1
 #       -Range:  0-300
 
 NpO2(OH)2
-       NpO2(OH)2 +2.0000 H+  =  + 1.0000 NpO2++ + 2.0000 H2O
-        log_k           5.9851
-	-delta_H	-54.9977	kJ/mol	# Calculated enthalpy of reaction	NpO2(OH)2
+       NpO2(OH)2 + 2 H+ = NpO2+2 + 2 H2O
+        log_k 5.9851
+	-delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2
 #	Enthalpy of formation:	-1377.16 kJ/mol
-        -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001
+        -analytic -2.7351e+1 -1.5987e-3 3.8301e+3 8.4735e+0 5.9773e+1
 #       -Range:  0-300
 
 NpO2OH(am)
-       NpO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 NpO2+
-        log_k           4.2364
-	-delta_H	-39.6673	kJ/mol	# Calculated enthalpy of reaction	NpO2OH(am)
+       NpO2OH + H+ = H2O + NpO2+
+        log_k 4.2364
+	-delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am)
 #	Enthalpy of formation:	-1224.16 kJ/mol
-        -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001
+        -analytic -3.8824e+0 6.7122e-3 2.539e+3 -9.704e-1 3.9619e+1
 #       -Range:  0-300
 
 Okenite
-        CaSi2O4(OH)2:H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
-        log_k           10.3816
-	-delta_H	-19.4974	kJ/mol	# Calculated enthalpy of reaction	Okenite
+        CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
+        log_k 10.3816
+	-delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite
 #	Enthalpy of formation:	-749.641 kcal/mol
-        -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006
+        -analytic -7.7353e+1 1.5091e-2 1.3023e+4 2.1337e+1 -1.1831e+6
 #       -Range:  0-300
 
 Orpiment
-        As2S3 +6.0000 H2O  =  + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+
-        log_k           -79.4159
-	-delta_H	406.539	kJ/mol	# Calculated enthalpy of reaction	Orpiment
+        As2S3 + 6 H2O = 2 H2AsO3- + 3 HS- + 5 H+
+        log_k -79.4159
+	-delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment
 #	Enthalpy of formation:	-169.423 kJ/mol
-        -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002
+        -analytic -3.3964e+2 -1.4977e-1 -1.5711e+4 1.4448e+2 -2.4505e+2
 #       -Range:  0-300
 
 Otavite
-        CdCO3 +1.0000 H+  =  + 1.0000 Cd++ + 1.0000 HCO3-
-        log_k           -1.7712
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
+        CdCO3 + H+ = Cd+2 + HCO3-
+        log_k -1.7712
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Otavite
 #	Enthalpy of formation:	0 kcal/mol
 
 Ottemannite
-        Sn2S3 +3.0000 H+  =  + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS-
-        log_k           -46.2679
-	-delta_H	236.727	kJ/mol	# Calculated enthalpy of reaction	Ottemannite
+        Sn2S3 + 3 H+ = Sn+2 + Sn+4 + 3 HS-
+        log_k -46.2679
+	-delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite
 #	Enthalpy of formation:	-63 kcal/mol
-        -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002
+        -analytic -6.2863e+1 -5.9171e-2 -1.3469e+4 3.2092e+1 -2.287e+2
 #       -Range:  0-200
 
 Oxychloride-Mg
-        Mg2Cl(OH)3:4H2O +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O
-        log_k           25.8319
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Oxychloride-Mg
+        Mg2Cl(OH)3:4H2O + 3 H+ = Cl- + 2 Mg+2 + 7 H2O
+        log_k 25.8319
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg
 #	Enthalpy of formation:	0 kcal/mol
 
 P
-       P +1.5000 H2O +1.2500 O2  =  + 1.0000 HPO4-- + 2.0000 H+
-        log_k           132.1032
-	-delta_H	-848.157	kJ/mol	# Calculated enthalpy of reaction	P
+       P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
+        log_k 132.1032
+	-delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002
+        -analytic -9.2727e+1 -6.8342e-2 4.3465e+4 4.0156e+1 6.7826e+2
 #       -Range:  0-300
 
 Paragonite
-        NaAl3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           17.5220
-	-delta_H	-275.056	kJ/mol	# Calculated enthalpy of reaction	Paragonite
+        NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
+        log_k 17.522
+	-delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite
 #	Enthalpy of formation:	-1416.96 kcal/mol
-        -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005
+        -analytic 3.5507e+1 -1.072e-2 1.3519e+4 -2.2283e+1 -4.5657e+5
 #       -Range:  0-300
 
 Paralaurionite
-        PbClOH +1.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++
-        log_k           0.2035
-	-delta_H	8.41948	kJ/mol	# Calculated enthalpy of reaction	Paralaurionite
+        PbClOH + H+ = Cl- + H2O + Pb+2
+        log_k 0.2035
+	-delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite
 #	Enthalpy of formation:	-460.417 kJ/mol
-        -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000
+        -analytic -1.1245e+1 -1.052e-2 -5.3551e+2 6.6175e+0 -9.0896e+0
 #       -Range:  0-200
 
 Pargasite
-        NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+  =  + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O
-        log_k           101.9939
-	-delta_H	-880.205	kJ/mol	# Calculated enthalpy of reaction	Pargasite
+        NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
+        log_k 101.9939
+	-delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite
 #	Enthalpy of formation:	-3016.62 kcal/mol
-        -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006
+        -analytic -6.7889e+1 -3.7817e-2 5.0493e+4 9.2705e+0 -1.0163e+6
 #       -Range:  0-300
 
 Parsonsite
-        Pb2UO2(PO4)2:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++
-        log_k           -27.7911
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Parsonsite
+        Pb2UO2(PO4)2:2H2O + 2 H+ = UO2+2 + 2 H2O + 2 HPO4-2 + 2 Pb+2
+        log_k -27.7911
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb
-       Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++
-        log_k           47.1871
-	-delta_H	-278.851	kJ/mol	# Calculated enthalpy of reaction	Pb
+       Pb + 2 H+ + 0.5 O2 = H2O + Pb+2
+        log_k 47.1871
+	-delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002
+        -analytic -3.1784e+1 -1.4816e-2 1.4984e+4 1.3383e+1 2.3381e+2
 #       -Range:  0-300
 
 Pb(H2PO4)2
-       Pb(H2PO4)2  =  + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4--
-        log_k           -9.8400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(H2PO4)2
+       Pb(H2PO4)2 = Pb+2 + 2 H+ + 2 HPO4-2
+        log_k -9.84
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb(IO3)2
-       Pb(IO3)2  =  + 1.0000 Pb++ + 2.0000 IO3-
-        log_k           -12.5173
-	-delta_H	53.7783	kJ/mol	# Calculated enthalpy of reaction	Pb(IO3)2
+       Pb(IO3)2 = Pb+2 + 2 IO3-
+        log_k -12.5173
+	-delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2
 #	Enthalpy of formation:	-495.525 kJ/mol
-        -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001
+        -analytic -5.3573e+0 -1.4164e-2 -3.6236e+3 3.7209e+0 -6.1532e+1
 #       -Range:  0-200
 
 Pb(N3)2(mono)
-       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
-        log_k           -8.3583
-	-delta_H	72.9495	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(mono)
+       Pb(N3)2 = Pb+2 + 2 N3-
+        log_k -8.3583
+	-delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono)
 #	Enthalpy of formation:	478.251 kJ/mol
-        -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002
+        -analytic 6.0051e+1 -1.1168e-2 -7.0041e+3 -1.6812e+1 -1.1896e+2
 #       -Range:  0-200
 
 Pb(N3)2(orth)
-       Pb(N3)2  =  + 1.0000 Pb++ + 2.0000 N3-
-        log_k           -8.7963
-	-delta_H	75.0615	kJ/mol	# Calculated enthalpy of reaction	Pb(N3)2(orth)
+       Pb(N3)2 = Pb+2 + 2 N3-
+        log_k -8.7963
+	-delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth)
 #	Enthalpy of formation:	476.139 kJ/mol
-        -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002
+        -analytic 5.9779e+1 -1.1215e-2 -7.1081e+3 -1.6732e+1 -1.2073e+2
 #       -Range:  0-200
 
 Pb(Thiocyanate)2
-       Pb(Thiocyanate)2  =  + 1.0000 Pb++ + 2.0000 Thiocyanate-
-        log_k           -0.0910
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(Thiocyanate)2
+       Pb(Thiocyanate)2 = Pb+2 + 2 Thiocyanate-
+        log_k -0.091
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
 #	Enthalpy of formation:	151.212 kJ/mol
-        -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005
+        -analytic 7.4247e+0 -1.6226e-2 0e+0 0e+0 -2.3938e+5
 #       -Range:  0-200
 
 Pb2Cl2CO3
-       Pb2Cl2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
-        log_k           -9.6180
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2Cl2CO3
+       Pb2Cl2CO3 + H+ = HCO3- + 2 Cl- + 2 Pb+2
+        log_k -9.618
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb2Cl5NH4
-       Pb2Cl5NH4  =  + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl-
-        log_k           -19.6100
-	-delta_H	119.617	kJ/mol	# Calculated enthalpy of reaction	Pb2Cl5NH4
+       Pb2Cl5NH4 = H+ + NH3 + 2 Pb+2 + 5 Cl-
+        log_k -19.61
+	-delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4
 #	Enthalpy of formation:	-1034.51 kJ/mol
-        -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002
+        -analytic 1.3149e+1 -4.8598e-2 -9.8473e+3 5.9552e+0 -1.6723e+2
 #       -Range:  0-200
 
 Pb2O(N3)2
-       Pb2O(N3)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++
-        log_k           -13.7066
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2O(N3)2
+       Pb2O(N3)2 + 2 H+ = H2O + 2 N3- + 2 Pb+2
+        log_k -13.7066
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb2SiO4
-       Pb2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++
-        log_k           18.0370
-	-delta_H	-83.9883	kJ/mol	# Calculated enthalpy of reaction	Pb2SiO4
+       Pb2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Pb+2
+        log_k 18.037
+	-delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4
 #	Enthalpy of formation:	-1363.55 kJ/mol
-        -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001
+        -analytic 2.7287e+2 6.3875e-2 -3.7001e+3 -1.0568e+2 -6.2927e+1
 #       -Range:  0-200
 
 Pb3(PO4)2
-       Pb3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Pb++
-        log_k           -19.9744
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(PO4)2
+       Pb3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Pb+2
+        log_k -19.9744
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb3SO6
-       Pb3SO6 +4.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++
-        log_k           10.5981
-	-delta_H	-79.3438	kJ/mol	# Calculated enthalpy of reaction	Pb3SO6
+       Pb3SO6 + 4 H+ = SO4-2 + 2 H2O + 3 Pb+2
+        log_k 10.5981
+	-delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6
 #	Enthalpy of formation:	-1399.17 kJ/mol
-        -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001
+        -analytic -5.3308e+0 -1.8639e-2 3.0245e+3 4.576e+0 5.1362e+1
 #       -Range:  0-200
 
 Pb4Cl2(OH)6
-       Pb4Cl2(OH)6 +6.0000 H+  =  + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O
-        log_k           17.2793
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4Cl2(OH)6
+       Pb4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Pb+2 + 6 H2O
+        log_k 17.2793
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb4O(PO4)2
-       Pb4O(PO4)2 +4.0000 H+  =  + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++
-        log_k           -12.5727
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4O(PO4)2
+       Pb4O(PO4)2 + 4 H+ = H2O + 2 HPO4-2 + 4 Pb+2
+        log_k -12.5727
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Pb4SO7
-       Pb4SO7 +6.0000 H+  =  + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++
-        log_k           21.7354
-	-delta_H	-136.566	kJ/mol	# Calculated enthalpy of reaction	Pb4SO7
+       Pb4SO7 + 6 H+ = SO4-2 + 3 H2O + 4 Pb+2
+        log_k 21.7354
+	-delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7
 #	Enthalpy of formation:	-1626.87 kJ/mol
-        -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002
+        -analytic -2.6884e+1 -2.1429e-2 6.839e+3 1.2951e+1 1.1614e+2
 #       -Range:  0-200
 
 PbBr2
-       PbBr2  =  + 1.0000 Pb++ + 2.0000 Br-
-        log_k           -5.2413
-	-delta_H	36.3838	kJ/mol	# Calculated enthalpy of reaction	PbBr2
+       PbBr2 = Pb+2 + 2 Br-
+        log_k -5.2413
+	-delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2
 #	Enthalpy of formation:	-278.47 kJ/mol
-        -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001
+        -analytic 3.0977e+1 -1.6567e-2 -4.2879e+3 -6.8329e+0 -7.2825e+1
 #       -Range:  0-200
 
 PbBrF
-       PbBrF  =  + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++
-        log_k           -8.0418
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbBrF
+       PbBrF = Br- + F- + Pb+2
+        log_k -8.0418
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF
 #	Enthalpy of formation:	0 kcal/mol
 
 PbCO3.PbO
-       PbCO3.PbO +3.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++
-        log_k           9.6711
-	-delta_H	-55.4286	kJ/mol	# Calculated enthalpy of reaction	PbCO3.PbO
+       PbCO3PbO + 3 H+ = H2O + HCO3- + 2 Pb+2
+        log_k 9.6711
+	-delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO
 #	Enthalpy of formation:	-918.502 kJ/mol
-        -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001
+        -analytic -4.216e+1 -1.4124e-2 3.8661e+3 1.7404e+1 6.5667e+1
 #       -Range:  0-200
 
 PbF2
-       PbF2  =  + 1.0000 Pb++ + 2.0000 F-
-        log_k           -5.2047
-	-delta_H	-5.83772	kJ/mol	# Calculated enthalpy of reaction	PbF2
+       PbF2 = Pb+2 + 2 F-
+        log_k -5.2047
+	-delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2
 #	Enthalpy of formation:	-663.937 kJ/mol
-        -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001
+        -analytic -2.2712e+2 -7.9552e-2 5.2198e+3 9.2173e+1 8.1516e+1
 #       -Range:  0-300
 
 PbFCl
-       PbFCl  =  + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
-        log_k           -8.9820
-	-delta_H	33.1852	kJ/mol	# Calculated enthalpy of reaction	PbFCl
+       PbFCl = Cl- + F- + Pb+2
+        log_k -8.982
+	-delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl
 #	Enthalpy of formation:	-534.692 kJ/mol
-        -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001
+        -analytic 6.1688e+0 -2.0732e-2 -3.4666e+3 1.0697e+0 -5.8869e+1
 #       -Range:  0-200
 
 PbHPO4
-       PbHPO4  =  + 1.0000 HPO4-- + 1.0000 Pb++
-        log_k           -15.7275
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
+       PbHPO4 = HPO4-2 + Pb+2
+        log_k -15.7275
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
 #	Enthalpy of formation:	0 kcal/mol
 
 PbI2
-       PbI2  =  + 1.0000 Pb++ + 2.0000 I-
-        log_k           -8.0418
-	-delta_H	62.5717	kJ/mol	# Calculated enthalpy of reaction	PbI2
+       PbI2 = Pb+2 + 2 I-
+        log_k -8.0418
+	-delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2
 #	Enthalpy of formation:	-175.456 kJ/mol
-        -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000
+        -analytic 1.5277e+1 -2.0582e-2 -5.1256e+3 0e+0 0e+0
 #       -Range:  0-200
 
 PbSO4(NH3)2
-       PbSO4(NH3)2  =  + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3
-        log_k           -2.0213
-	-delta_H	28.284	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)2
+       PbSO4(NH3)2 = Pb+2 + SO4-2 + 2 NH3
+        log_k -2.0213
+	-delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2
 #	Enthalpy of formation:	-1099.64 kJ/mol
-        -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001
+        -analytic 3.5718e-1 -1.0192e-2 -2.0095e+3 2.9853e+0 -3.4124e+1
 #       -Range:  0-200
 
 PbSO4(NH3)4
-       PbSO4(NH3)4  =  + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3
-        log_k           1.5024
-	-delta_H	31.155	kJ/mol	# Calculated enthalpy of reaction	PbSO4(NH3)4
+       PbSO4(NH3)4 = Pb+2 + SO4-2 + 4 NH3
+        log_k 1.5024
+	-delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4
 #	Enthalpy of formation:	-1265.18 kJ/mol
-        -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000
+        -analytic -4.108e+1 -7.2307e-3 6.6637e+1 1.7984e+1 1.146e+0
 #       -Range:  0-200
 
 PbSeO4
-       PbSeO4  =  + 1.0000 Pb++ + 1.0000 SeO4--
-        log_k           -6.9372
-	-delta_H	10.8967	kJ/mol	# Calculated enthalpy of reaction	PbSeO4
+       PbSeO4 = Pb+2 + SeO4-2
+        log_k -6.9372
+	-delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4
 #	Enthalpy of formation:	-609.125 kJ/mol
-        -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001
+        -analytic 3.1292e+1 -1.4192e-2 -3.098e+3 -9.5448e+0 -5.2618e+1
 #       -Range:  0-200
 
 Pd
-       Pd +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pd++
-        log_k           12.0688
-	-delta_H	-103.709	kJ/mol	# Calculated enthalpy of reaction	Pd
+       Pd + 2 H+ + 0.5 O2 = H2O + Pd+2
+        log_k 12.0688
+	-delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002
+        -analytic -6.253e+1 -1.9774e-2 6.7013e+3 2.3441e+1 1.0459e+2
 #       -Range:  0-300
 
 PdO
-       PdO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Pd++
-        log_k           0.0643
-	-delta_H	-24.422	kJ/mol	# Calculated enthalpy of reaction	PdO
+       PdO + 2 H+ = H2O + Pd+2
+        log_k 0.0643
+	-delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO
 #	Enthalpy of formation:	-20.4 kcal/mol
-        -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001
+        -analytic -8.8921e+1 -1.9031e-2 3.8537e+3 3.3028e+1 6.0159e+1
 #       -Range:  0-300
 
 Penroseite
-        NiSe2 +1.0000 H2O  =  + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -98.8004
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Penroseite
+        NiSe2 + H2O = 0.5 O2 + Ni+2 + 2 H+ + 2 Se-2
+        log_k -98.8004
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite
 #	Enthalpy of formation:	-26 kcal/mol
-        -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002
+        -analytic -4.7339e+1 -1.2035e-2 -2.3589e+4 1.2624e+1 -3.6808e+2
 #       -Range:  0-300
 
 Pentahydrite
-        MgSO4:5H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O
-        log_k           -1.3872
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pentahydrite
+        MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O
+        log_k -1.3872
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite
 #	Enthalpy of formation:	0 kcal/mol
 
 Periclase
-        MgO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mg++
-        log_k           21.3354
-	-delta_H	-150.139	kJ/mol	# Calculated enthalpy of reaction	Periclase
+        MgO + 2 H+ = H2O + Mg+2
+        log_k 21.3354
+	-delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase
 #	Enthalpy of formation:	-143.8 kcal/mol
-        -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002
+        -analytic -8.8465e+1 -1.839e-2 1.0414e+4 3.2469e+1 1.6253e+2
 #       -Range:  0-300
 
 Petalite
-        LiAlSi4O10 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2
-        log_k           -3.8153
-	-delta_H	-13.1739	kJ/mol	# Calculated enthalpy of reaction	Petalite
+        LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
+        log_k -3.8153
+	-delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite
 #	Enthalpy of formation:	-4886.15 kJ/mol
-        -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006
+        -analytic -6.6355e+0 2.4316e-2 1.5949e+4 -1.3341e+1 -2.2265e+6
 #       -Range:  0-300
 
 Phlogopite
-        KAlMg3Si3O10(OH)2 +10.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           37.4400
-	-delta_H	-310.503	kJ/mol	# Calculated enthalpy of reaction	Phlogopite
+        KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
+        log_k 37.44
+	-delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite
 #	Enthalpy of formation:	-1488.07 kcal/mol
-        -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005
+        -analytic -8.773e+1 -1.7253e-2 2.3748e+4 2.4465e+1 -8.9045e+5
 #       -Range:  0-300
 
 Phosgenite
-        Pb2(CO3)Cl2 +1.0000 H+  =  + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
-        log_k           -9.6355
-	-delta_H	49.0844	kJ/mol	# Calculated enthalpy of reaction	Phosgenite
+        Pb2(CO3)Cl2 + H+ = HCO3- + 2 Cl- + 2 Pb+2
+        log_k -9.6355
+	-delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite
 #	Enthalpy of formation:	-1071.34 kJ/mol
-        -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001
+        -analytic 3.4909e+0 -2.9365e-2 -4.6327e+3 4.5068e+0 -7.8671e+1
 #       -Range:  0-200
 
 Picromerite
-        K2Mg(SO4)2:6H2O  =  + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O
-        log_k           -4.4396
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Picromerite
+        K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O
+        log_k -4.4396
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite
 #	Enthalpy of formation:	0 kcal/mol
 
 Pirssonite
-        Na2Ca(CO3)2:2H2O +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+
-        log_k           11.3230
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pirssonite
+        Na2Ca(CO3)2:2H2O + 2 H+ = Ca+2 + 2 H2O + 2 HCO3- + 2 Na+
+        log_k 11.323
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite
 #	Enthalpy of formation:	0 kcal/mol
 
 Plattnerite
-        PbO2 +4.0000 H+  =  + 1.0000 Pb++++ + 2.0000 H2O
-        log_k           -7.9661
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plattnerite
+        PbO2 + 4 H+ = Pb+4 + 2 H2O
+        log_k -7.9661
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite
 #	Enthalpy of formation:	-277.363 kJ/mol
 
 Plumbogummite
-        PbAl3(PO4)2(OH)5:H2O +7.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O
-        log_k           -8.1463
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Plumbogummite
+        PbAl3(PO4)2(OH)5:H2O + 7 H+ = Pb+2 + 2 HPO4-2 + 3 Al+3 + 6 H2O
+        log_k -8.1463
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite
 #	Enthalpy of formation:	0 kcal/mol
 
 Pm
-       Pm +3.0000 H+ +0.7500 O2  =  + 1.0000 Pm+++ + 1.5000 H2O
-        log_k           180.6737
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm
+       Pm + 3 H+ + 0.75 O2 = Pm+3 + 1.5 H2O
+        log_k 180.6737
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm
 #	Enthalpy of formation:	0 kcal/mol
 
 Pm(OH)3
-       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
-        log_k           17.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3
+       Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O
+        log_k 17.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Pm(OH)3(am)
-       Pm(OH)3 +3.0000 H+  =  + 1.0000 Pm+++ + 3.0000 H2O
-        log_k           18.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm(OH)3(am)
+       Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O
+        log_k 18.2852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Pm2(CO3)3
-       Pm2(CO3)3 +3.0000 H+  =  + 2.0000 Pm+++ + 3.0000 HCO3-
-        log_k           -3.5636
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2(CO3)3
+       Pm2(CO3)3 + 3 H+ = 2 Pm+3 + 3 HCO3-
+        log_k -3.5636
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Pm2O3
-       Pm2O3 +6.0000 H+  =  + 2.0000 Pm+++ + 3.0000 H2O
-        log_k           48.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pm2O3
+       Pm2O3 + 6 H+ = 2 Pm+3 + 3 H2O
+        log_k 48.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 PmF3:.5H2O
-       PmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F-
-        log_k           -18.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmF3:.5H2O
+       PmF3:.5H2O = 0.5 H2O + Pm+3 + 3 F-
+        log_k -18.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 PmPO4:10H2O
-       PmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PmPO4:10H2O
+       PmPO4:10H2O + H+ = HPO4-2 + Pm+3 + 10 H2O
+        log_k -12.1782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Polydymite
-        Ni3S4 +2.0000 H+  =  + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++
-        log_k           -48.9062
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polydymite
+        Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
+        log_k -48.9062
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite
 #	Enthalpy of formation:	-78.014 kcal/mol
-        -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002
+        -analytic -1.803e+1 -4.6945e-2 -1.1557e+4 8.8339e+0 -1.9625e+2
 #       -Range:  0-200
 
 Polyhalite
-        K2MgCa2(SO4)4:2H2O  =  + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4--
-        log_k           -14.3124
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Polyhalite
+        K2MgCa2(SO4)4:2H2O = Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2
+        log_k -14.3124
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite
 #	Enthalpy of formation:	0 kcal/mol
 
 Portlandite
-        Ca(OH)2 +2.0000 H+  =  + 1.0000 Ca++ + 2.0000 H2O
-        log_k           22.5552
-	-delta_H	-128.686	kJ/mol	# Calculated enthalpy of reaction	Portlandite
+        Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+        log_k 22.5552
+	-delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite
 #	Enthalpy of formation:	-986.074 kJ/mol
-        -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002
+        -analytic -8.3848e+1 -1.8373e-2 9.3154e+3 3.2584e+1 1.4538e+2
 #       -Range:  0-300
 
 Pr
-       Pr +3.0000 H+ +0.7500 O2  =  + 1.0000 Pr+++ + 1.5000 H2O
-        log_k           183.6893
-	-delta_H	-1125.92	kJ/mol	# Calculated enthalpy of reaction	Pr
+       Pr + 3 H+ + 0.75 O2 = Pr+3 + 1.5 H2O
+        log_k 183.6893
+	-delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006
+        -analytic -4.1136e+2 -7.5853e-2 7.9974e+4 1.4718e+2 -1.3148e+6
 #       -Range:  0-300
 
 Pr(OH)3
-       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
-        log_k           19.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3
+       Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O
+        log_k 19.5852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Pr(OH)3(am)
-       Pr(OH)3 +3.0000 H+  =  + 1.0000 Pr+++ + 3.0000 H2O
-        log_k           21.0852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr(OH)3(am)
+       Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O
+        log_k 21.0852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Pr2(CO3)3
-       Pr2(CO3)3 +3.0000 H+  =  + 2.0000 Pr+++ + 3.0000 HCO3-
-        log_k           -3.8136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2(CO3)3
+       Pr2(CO3)3 + 3 H+ = 2 Pr+3 + 3 HCO3-
+        log_k -3.8136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Pr2O3
-       Pr2O3 +6.0000 H+  =  + 2.0000 Pr+++ + 3.0000 H2O
-        log_k           61.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pr2O3
+       Pr2O3 + 6 H+ = 2 Pr+3 + 3 H2O
+        log_k 61.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 PrF3:.5H2O
-       PrF3:.5H2O  =  + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F-
-        log_k           -18.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrF3:.5H2O
+       PrF3:.5H2O = 0.5 H2O + Pr+3 + 3 F-
+        log_k -18.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 PrPO4:10H2O
-       PrPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O
-        log_k           -12.2782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PrPO4:10H2O
+       PrPO4:10H2O + H+ = HPO4-2 + Pr+3 + 10 H2O
+        log_k -12.2782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Prehnite
-        Ca2Al2Si3O10(OH)2 +10.0000 H+  =  + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O
-        log_k           32.9305
-	-delta_H	-311.875	kJ/mol	# Calculated enthalpy of reaction	Prehnite
+        Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
+        log_k 32.9305
+	-delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite
 #	Enthalpy of formation:	-1481.65 kcal/mol
-        -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005
+        -analytic -3.5763e+1 -2.1396e-2 2.0167e+4 6.3554e+0 -7.4967e+5
 #       -Range:  0-300
 
 Przhevalskite
-        Pb(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -20.0403
-	-delta_H	-71.1058	kJ/mol	# Calculated enthalpy of reaction	Przhevalskite
+        Pb(UO2)2(PO4)2 + 2 H+ = Pb+2 + 2 HPO4-2 + 2 UO2+2
+        log_k -20.0403
+	-delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite
 #	Enthalpy of formation:	-1087.51 kcal/mol
-        -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001
+        -analytic -2.9817e+1 -4.0756e-2 1.0077e+3 7.4885e+0 1.7122e+1
 #       -Range:  0-200
 
 Pseudowollastonite
-        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           13.9997
-	-delta_H	-79.4625	kJ/mol	# Calculated enthalpy of reaction	Pseudowollastonite
+        CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+        log_k 13.9997
+	-delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite
 #	Enthalpy of formation:	-388.9 kcal/mol
-        -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005
+        -analytic 2.6691e+1 6.3323e-3 5.5723e+3 -1.1822e+1 -3.6038e+5
 #       -Range:  0-300
 
 Pu
-       Pu +4.0000 H+ +1.0000 O2  =  + 1.0000 Pu++++ + 2.0000 H2O
-        log_k           170.3761
-	-delta_H	-1095.44	kJ/mol	# Calculated enthalpy of reaction	Pu
+       Pu + 4 H+ + O2 = Pu+4 + 2 H2O
+        log_k 170.3761
+	-delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005
+        -analytic -1.9321e+2 -3.4314e-2 6.6737e+4 6.3552e+1 -6.4737e+5
 #       -Range:  0-300
 
 Pu(HPO4)2
-       Pu(HPO4)2  =  + 1.0000 Pu++++ + 2.0000 HPO4--
-        log_k           -27.7025
-	-delta_H	-33.4449	kJ/mol	# Calculated enthalpy of reaction	Pu(HPO4)2
+       Pu(HPO4)2 = Pu+4 + 2 HPO4-2
+        log_k -27.7025
+	-delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
 #	Enthalpy of formation:	-3086.61 kJ/mol
-        -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002
+        -analytic -3.6565e+2 -1.3961e-1 7.9105e+3 1.4265e+2 1.2354e+2
 #       -Range:  0-300
 
 Pu(OH)3
-       Pu(OH)3 +3.0000 H+  =  + 1.0000 Pu+++ + 3.0000 H2O
-        log_k           22.4499
-	-delta_H	-148.067	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)3
+       Pu(OH)3 + 3 H+ = Pu+3 + 3 H2O
+        log_k 22.4499
+	-delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3
 #	Enthalpy of formation:	-1301 kJ/mol
-        -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002
+        -analytic -6.1342e+1 -8.6952e-3 9.7733e+3 2.1664e+1 1.5252e+2
 #       -Range:  0-300
 
 Pu(OH)4
-       Pu(OH)4 +4.0000 H+  =  + 1.0000 Pu++++ + 4.0000 H2O
-        log_k           0.7578
-	-delta_H	-68.6543	kJ/mol	# Calculated enthalpy of reaction	Pu(OH)4
+       Pu(OH)4 + 4 H+ = Pu+4 + 4 H2O
+        log_k 0.7578
+	-delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
 #	Enthalpy of formation:	-1610.59 kJ/mol
-        -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002
+        -analytic -9.3473e+1 -1.0579e-2 6.5974e+3 3.0415e+1 1.0297e+2
 #       -Range:  0-300
 
 Pu2O3
-       Pu2O3 +6.0000 H+  =  + 2.0000 Pu+++ + 3.0000 H2O
-        log_k           48.1332
-	-delta_H	-360.26	kJ/mol	# Calculated enthalpy of reaction	Pu2O3
+       Pu2O3 + 6 H+ = 2 Pu+3 + 3 H2O
+        log_k 48.1332
+	-delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3
 #	Enthalpy of formation:	-1680.36 kJ/mol
-        -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002
+        -analytic -8.7831e+1 -1.9784e-2 2.0832e+4 2.9096e+1 3.2509e+2
 #       -Range:  0-300
 
 PuF3
-       PuF3  =  + 1.0000 Pu+++ + 3.0000 F-
-        log_k           -10.1872
-	-delta_H	-46.2608	kJ/mol	# Calculated enthalpy of reaction	PuF3
+       PuF3 = Pu+3 + 3 F-
+        log_k -10.1872
+	-delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3
 #	Enthalpy of formation:	-1551.33 kJ/mol
-        -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002
+        -analytic -3.1104e+2 -1.0854e-1 8.7435e+3 1.2279e+2 1.3653e+2
 #       -Range:  0-300
 
 PuF4
-       PuF4  =  + 1.0000 Pu++++ + 4.0000 F-
-        log_k           -13.2091
-	-delta_H	-100.039	kJ/mol	# Calculated enthalpy of reaction	PuF4
+       PuF4 = Pu+4 + 4 F-
+        log_k -13.2091
+	-delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4
 #	Enthalpy of formation:	-1777.24 kJ/mol
-        -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002
+        -analytic -4.3072e+2 -1.45e-1 1.4076e+4 1.6709e+2 2.1977e+2
 #       -Range:  0-300
 
 PuO2
-       PuO2 +4.0000 H+  =  + 1.0000 Pu++++ + 2.0000 H2O
-        log_k           -7.3646
-	-delta_H	-51.8827	kJ/mol	# Calculated enthalpy of reaction	PuO2
+       PuO2 + 4 H+ = Pu+4 + 2 H2O
+        log_k -7.3646
+	-delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2
 #	Enthalpy of formation:	-1055.69 kJ/mol
-        -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001
+        -analytic -7.1933e+1 -1.1841e-2 4.4494e+3 2.1491e+1 6.945e+1
 #       -Range:  0-300
 
 PuO2(OH)2
-       PuO2(OH)2 +2.0000 H+  =  + 1.0000 PuO2++ + 2.0000 H2O
-        log_k           3.5499
-	-delta_H	-35.7307	kJ/mol	# Calculated enthalpy of reaction	PuO2(OH)2
+       PuO2(OH)2 + 2 H+ = PuO2+2 + 2 H2O
+        log_k 3.5499
+	-delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2
 #	Enthalpy of formation:	-1357.52 kJ/mol
-        -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001
+        -analytic -2.6536e+1 -1.6542e-3 2.8262e+3 8.5277e+0 4.4108e+1
 #       -Range:  0-300
 
 PuO2HPO4
-       PuO2HPO4  =  + 1.0000 HPO4-- + 1.0000 PuO2++
-        log_k           -12.6074
-	-delta_H	-10.108	kJ/mol	# Calculated enthalpy of reaction	PuO2HPO4
+       PuO2HPO4 = HPO4-2 + PuO2+2
+        log_k -12.6074
+	-delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4
 #	Enthalpy of formation:	-2103.55 kJ/mol
-        -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001
+        -analytic -1.6296e+2 -6.6166e-2 3.0557e+3 6.4577e+1 4.7729e+1
 #       -Range:  0-300
 
 PuO2OH(am)
-       PuO2OH +1.0000 H+  =  + 1.0000 H2O + 1.0000 PuO2+
-        log_k           5.4628
-	-delta_H	-42.4933	kJ/mol	# Calculated enthalpy of reaction	PuO2OH(am)
+       PuO2OH + H+ = H2O + PuO2+
+        log_k 5.4628
+	-delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am)
 #	Enthalpy of formation:	-1157.53 kJ/mol
-        -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001
+        -analytic -3.1316e+0 6.7573e-3 2.6884e+3 -9.8622e-1 4.1951e+1
 #       -Range:  0-300
 
 Pyrite
-        FeS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS-
-        log_k           -24.6534
-	-delta_H	109.535	kJ/mol	# Calculated enthalpy of reaction	Pyrite
+        FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
+        log_k -24.6534
+	-delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite
 #	Enthalpy of formation:	-41 kcal/mol
-        -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000
+        -analytic -2.4195e+2 -8.7948e-2 -6.2911e+2 9.9248e+1 -9.7454e+0
 #       -Range:  0-300
 
 Pyrolusite
-        MnO2  =  + 0.5000 Mn++ + 0.5000 MnO4--
-        log_k           -17.6439
-	-delta_H	83.3804	kJ/mol	# Calculated enthalpy of reaction	Pyrolusite
+        MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
+        log_k -17.6439
+	-delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite
 #	Enthalpy of formation:	-520.031 kJ/mol
-        -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001
+        -analytic -1.1541e+2 -4.1665e-2 -1.896e+3 4.7094e+1 -2.9551e+1
 #       -Range:  0-300
 
 Pyromorphite
-        Pb5(PO4)3Cl +3.0000 H+  =  + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++
-        log_k           -47.8954
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
+        Pb5(PO4)3Cl + 3 H+ = Cl- + 3 HPO4-2 + 5 Pb+2
+        log_k -47.8954
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite
 #	Enthalpy of formation:	0 kcal/mol
 
 Pyromorphite-OH
-        Pb5(OH)(PO4)3 +4.0000 H+  =  + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++
-        log_k           -26.2653
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
+        Pb5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Pb+2
+        log_k -26.2653
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH
 #	Enthalpy of formation:	0 kcal/mol
 
 Pyrophyllite
-        Al2Si4O10(OH)2 +6.0000 H+  =  + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           0.4397
-	-delta_H	-102.161	kJ/mol	# Calculated enthalpy of reaction	Pyrophyllite
+        Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
+        log_k 0.4397
+	-delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite
 #	Enthalpy of formation:	-1345.31 kcal/mol
-        -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006
+        -analytic 1.1066e+1 1.2707e-2 1.6417e+4 -1.9596e+1 -1.8791e+6
 #       -Range:  0-300
 
 Pyrrhotite
-        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -3.7193
-	-delta_H	-7.9496	kJ/mol	# Calculated enthalpy of reaction	Pyrrhotite
+        FeS + H+ = Fe+2 + HS-
+        log_k -3.7193
+	-delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite
 #	Enthalpy of formation:	-24 kcal/mol
-        -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001
+        -analytic -1.5785e+2 -5.2258e-2 3.9711e+3 6.3195e+1 6.2012e+1
 #       -Range:  0-300
 
 Quartz
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.9993
-	-delta_H	32.949	kJ/mol	# Calculated enthalpy of reaction	Quartz
+        SiO2 = SiO2
+        log_k -3.9993
+	-delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz
 #	Enthalpy of formation:	-217.65 kcal/mol
-        -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005
+        -analytic 7.7698e-2 1.0612e-2 3.4651e+3 -4.3551e+0 -7.2138e+5
 #       -Range:  0-300
 
 Ra
-       Ra +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ra++
-        log_k           141.3711
-	-delta_H	-807.374	kJ/mol	# Calculated enthalpy of reaction	Ra
+       Ra + 2 H+ + 0.5 O2 = H2O + Ra+2
+        log_k 141.3711
+	-delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002
+        -analytic 4.9867e+1 5.9412e-3 4.0293e+4 -1.8356e+1 6.8421e+2
 #       -Range:  0-200
 
 Ra(NO3)2
-       Ra(NO3)2  =  + 1.0000 Ra++ + 2.0000 NO3-
-        log_k           -2.2419
-	-delta_H	50.4817	kJ/mol	# Calculated enthalpy of reaction	Ra(NO3)2
+       Ra(NO3)2 = Ra+2 + 2 NO3-
+        log_k -2.2419
+	-delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2
 #	Enthalpy of formation:	-991.706 kJ/mol
-        -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001
+        -analytic 2.2001e+1 -9.5263e-3 -3.9389e+3 -3.3143e+0 -6.6896e+1
 #       -Range:  0-200
 
 RaCl2:2H2O
-       RaCl2:2H2O  =  + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           -0.7647
-	-delta_H	32.6266	kJ/mol	# Calculated enthalpy of reaction	RaCl2:2H2O
+       RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O
+        log_k -0.7647
+	-delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O
 #	Enthalpy of formation:	-1466.07 kJ/mol
-        -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001
+        -analytic -2.5033e+1 -1.8918e-2 -1.5713e+3 1.4213e+1 -2.6673e+1
 #       -Range:  0-200
 
 RaSO4
-       RaSO4  =  + 1.0000 Ra++ + 1.0000 SO4--
-        log_k           -10.4499
-	-delta_H	40.309	kJ/mol	# Calculated enthalpy of reaction	RaSO4
+       RaSO4 = Ra+2 + SO4-2
+        log_k -10.4499
+	-delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4
 #	Enthalpy of formation:	-1477.51 kJ/mol
-        -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001
+        -analytic 4.8025e+1 -1.1376e-2 -5.1347e+3 -1.5306e+1 -8.7211e+1
 #       -Range:  0-200
 
 Rankinite
-        Ca3Si2O7 +6.0000 H+  =  + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O
-        log_k           51.9078
-	-delta_H	-302.089	kJ/mol	# Calculated enthalpy of reaction	Rankinite
+        Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
+        log_k 51.9078
+	-delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite
 #	Enthalpy of formation:	-941.7 kcal/mol
-        -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005
+        -analytic -9.6393e+1 -1.6592e-2 2.4832e+4 3.2541e+1 -9.463e+5
 #       -Range:  0-300
 
 Rb
-       Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+
-        log_k           71.1987
-	-delta_H	-391.009	kJ/mol	# Calculated enthalpy of reaction	Rb
+       Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+
+        log_k 71.1987
+	-delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002
+        -analytic -2.1179e+1 -8.7978e-3 2.0934e+4 1.0011e+1 3.2667e+2
 #       -Range:  0-300
 
 Rb2UO4
-       Rb2UO4 +4.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+
-        log_k           34.0089
-	-delta_H	-170.224	kJ/mol	# Calculated enthalpy of reaction	Rb2UO4
+       Rb2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Rb+
+        log_k 34.0089
+	-delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4
 #	Enthalpy of formation:	-1922.7 kJ/mol
-        -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002
+        -analytic -3.8205e+1 3.1862e-3 1.0973e+4 1.3925e+1 1.8636e+2
 #       -Range:  0-200
 
 Re
-       Re +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 ReO4-
-        log_k           105.9749
-	-delta_H	-623.276	kJ/mol	# Calculated enthalpy of reaction	Re
+       Re + 1.75 O2 + 0.5 H2O = H+ + ReO4-
+        log_k 105.9749
+	-delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000
+        -analytic 1.4535e+1 -2.9877e-2 2.991e+4 0e+0 0e+0
 #       -Range:  0-300
 
 Realgar
-        AsS +2.0000 H2O  =  + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+
-        log_k           -60.2768
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Realgar
+        AsS + 2 H2O = 0.5 S2O4-2 + AsH3 + H+
+        log_k -60.2768
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Realgar
 #	Enthalpy of formation:	-71.406 kJ/mol
 
 Rhodochrosite
-        MnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Mn++
-        log_k           -0.1928
-	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
+        MnCO3 + H+ = HCO3- + Mn+2
+        log_k -0.1928
+	-delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite
 #	Enthalpy of formation:	-212.521 kcal/mol
-        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
+        -analytic -1.6195e+2 -4.9344e-2 5.0937e+3 6.4402e+1 7.9531e+1
 #       -Range:  0-300
 
 Rhodonite
-        MnSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2
-        log_k           9.7301
-	-delta_H	-64.7121	kJ/mol	# Calculated enthalpy of reaction	Rhodonite
+        MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
+        log_k 9.7301
+	-delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite
 #	Enthalpy of formation:	-1319.42 kJ/mol
-        -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005
+        -analytic 2.0585e+1 4.9941e-3 4.5816e+3 -9.8212e+0 -3.0658e+5
 #       -Range:  0-300
 
 Ripidolite-14A
-        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
-        log_k           60.9638
-	-delta_H	-572.472	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-14A
+        Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
+        log_k 60.9638
+	-delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A
 #	Enthalpy of formation:	-1947.87 kcal/mol
-        -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002
+        -analytic -1.8376e+2 -6.1934e-2 3.2458e+4 6.229e+1 5.0653e+2
 #       -Range:  0-300
 
 Ripidolite-7A
-        Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+  =  + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O
-        log_k           64.3371
-	-delta_H	-586.325	kJ/mol	# Calculated enthalpy of reaction	Ripidolite-7A
+        Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
+        log_k 64.3371
+	-delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A
 #	Enthalpy of formation:	-1944.56 kcal/mol
-        -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002
+        -analytic -1.9557e+2 -6.3779e-2 3.3634e+4 6.7057e+1 5.2489e+2
 #       -Range:  0-300
 
 Romarchite
-        SnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sn++
-        log_k           1.3625
-	-delta_H	-8.69017	kJ/mol	# Calculated enthalpy of reaction	Romarchite
+        SnO + 2 H+ = H2O + Sn+2
+        log_k 1.3625
+	-delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite
 #	Enthalpy of formation:	-68.34 kcal/mol
-        -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001
+        -analytic -6.3187e+1 -1.5821e-2 2.2786e+3 2.49e+1 3.5574e+1
 #       -Range:  0-300
 
 Ru
-       Ru +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Ru++
-        log_k           16.6701
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru
+       Ru + 2 H+ + 0.5 O2 = H2O + Ru+2
+        log_k 16.6701
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru
 #	Enthalpy of formation:	0 kJ/mol
 
 Ru(OH)3:H2O(am)
-       Ru(OH)3:H2O +3.0000 H+  =  + 1.0000 Ru+++ + 4.0000 H2O
-        log_k           1.6338
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ru(OH)3:H2O(am)
+       Ru(OH)3:H2O + 3 H+ = Ru+3 + 4 H2O
+        log_k 1.6338
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 RuBr3
-       RuBr3  =  + 1.0000 Ru+++ + 3.0000 Br-
-        log_k           3.1479
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuBr3
+       RuBr3 = Ru+3 + 3 Br-
+        log_k 3.1479
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3
 #	Enthalpy of formation:	-147.76 kJ/mol
 
 RuCl3
-       RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-
-        log_k           10.8215
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3
+       RuCl3 = Ru+3 + 3 Cl-
+        log_k 10.8215
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3
 #	Enthalpy of formation:	-221.291 kJ/mol
 
 RuI3
-       RuI3  =  + 1.0000 Ru+++ + 3.0000 I-
-        log_k           -12.4614
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuI3
+       RuI3 = Ru+3 + 3 I-
+        log_k -12.4614
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuI3
 #	Enthalpy of formation:	-58.425 kJ/mol
 
 RuO2
-       RuO2 +2.0000 H+  =  + 1.0000 Ru(OH)2++
-        log_k           -5.4835
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2
+       RuO2 + 2 H+ = Ru(OH)2+2
+        log_k -5.4835
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuO2
 #	Enthalpy of formation:	-307.233 kJ/mol
 
 RuO2:2H2O(am)
-       RuO2:2H2O +2.0000 H+  =  + 1.0000 Ru(OH)2++ + 2.0000 H2O
-        log_k           0.9045
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuO2:2H2O(am)
+       RuO2:2H2O + 2 H+ = Ru(OH)2+2 + 2 H2O
+        log_k 0.9045
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 RuO4
-       RuO4  =  + 1.0000 RuO4
-        log_k           -0.9636
-	-delta_H	6.305	kJ/mol	# Calculated enthalpy of reaction	RuO4
+       RuO4 = RuO4
+        log_k -0.9636
+	-delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4
 #	Enthalpy of formation:	-244.447 kJ/mol
 
 RuSe2
-       RuSe2 +2.0000 H2O  =  + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se--
-        log_k           -113.7236
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuSe2
+       RuSe2 + 2 H2O = Ru(OH)2+2 + 2 H+ + 2 Se-2
+        log_k -113.7236
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2
 #	Enthalpy of formation:	-146.274 kJ/mol
 
 Rutherfordine
-        UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
-        log_k           -4.1064
-	-delta_H	-19.4032	kJ/mol	# Calculated enthalpy of reaction	Rutherfordine
+        UO2CO3 + H+ = HCO3- + UO2+2
+        log_k -4.1064
+	-delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine
 #	Enthalpy of formation:	-1689.53 kJ/mol
-        -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001
+        -analytic -8.8224e+1 -3.1434e-2 2.6675e+3 3.4161e+1 4.165e+1
 #       -Range:  0-300
 
 Rutile
-        TiO2 +2.0000 H2O  =  + 1.0000 Ti(OH)4
-        log_k           -9.6452
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Rutile
+        TiO2 + 2 H2O = Ti(OH)4
+        log_k -9.6452
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Rutile
 #	Enthalpy of formation:	-226.107 kcal/mol
 
 S
-       S +1.0000 H2O  =  + 0.5000 O2 + 1.0000 H+ + 1.0000 HS-
-        log_k           -45.0980
-	-delta_H	263.663	kJ/mol	# Calculated enthalpy of reaction	S
+       S + H2O = 0.5 O2 + H+ + HS-
+        log_k -45.098
+	-delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002
+        -analytic -8.8928e+1 -2.8454e-2 -1.1516e+4 3.6747e+1 -1.7966e+2
 #       -Range:  0-300
 
 Safflorite
-        CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3-
-        log_k           -3.6419
-	-delta_H	-52.7226	kJ/mol	# Calculated enthalpy of reaction	Safflorite
+        CoAs2 + 2 H2O + H+ + 0.5 O2 = AsH3 + Co+2 + H2AsO3-
+        log_k -3.6419
+	-delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite
 #	Enthalpy of formation:	-23.087 kcal/mol
 
 Saleeite
-        Mg(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -19.4575
-	-delta_H	-110.816	kJ/mol	# Calculated enthalpy of reaction	Saleeite
+        Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
+        log_k -19.4575
+	-delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite
 #	Enthalpy of formation:	-1189.61 kcal/mol
-        -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001
+        -analytic -6.0028e+1 -4.4391e-2 3.9168e+3 1.6428e+1 6.6533e+1
 #       -Range:  0-200
 
 Sanbornite
-        BaSi2O5 +2.0000 H+  =  + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2
-        log_k           9.4753
-	-delta_H	-31.0845	kJ/mol	# Calculated enthalpy of reaction	Sanbornite
+        BaSi2O5 + 2 H+ = Ba+2 + H2O + 2 SiO2
+        log_k 9.4753
+	-delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite
 #	Enthalpy of formation:	-2547.8 kJ/mol
-        -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006
+        -analytic -2.5381e+1 1.2999e-2 1.233e+4 2.1053e+0 -1.3913e+6
 #       -Range:  0-300
 
 Sanidine_high
-        KAlSi3O8 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2
-        log_k           0.9239
-	-delta_H	-35.0284	kJ/mol	# Calculated enthalpy of reaction	Sanidine_high
+        KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
+        log_k 0.9239
+	-delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high
 #	Enthalpy of formation:	-946.538 kcal/mol
-        -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006
+        -analytic -3.4889e+0 1.4495e-2 1.2856e+4 -9.8978e+0 -1.6572e+6
 #       -Range:  0-300
 
 Saponite-Ca
-        Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.2900
-	-delta_H	-207.971	kJ/mol	# Calculated enthalpy of reaction	Saponite-Ca
+        Ca.165Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 26.29
+	-delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca
 #	Enthalpy of formation:	-1436.51 kcal/mol
-        -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006
+        -analytic -4.6904e+1 6.2555e-3 2.2572e+4 5.3198e+0 -1.5725e+6
 #       -Range:  0-300
 
 Saponite-Cs
-        Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           25.8528
-	-delta_H	-195.407	kJ/mol	# Calculated enthalpy of reaction	Saponite-Cs
+        Cs.33Si3.67Al.33Mg3O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Cs+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 25.8528
+	-delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs
 #	Enthalpy of formation:	-1438.44 kcal/mol
-        -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006
+        -analytic -7.7732e+1 -3.6418e-5 2.3346e+4 1.7578e+1 -1.6319e+6
 #       -Range:  0-300
 
 Saponite-H
-        H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+  =  + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           25.3321
-	-delta_H	-200.235	kJ/mol	# Calculated enthalpy of reaction	Saponite-H
+        H.33Mg3Al.33Si3.67O10(OH)2 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 25.3321
+	-delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H
 #	Enthalpy of formation:	-1416.94 kcal/mol
-        -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006
+        -analytic -3.9828e+1 8.9566e-3 2.2165e+4 2.3941e+0 -1.5933e+6
 #       -Range:  0-300
 
 Saponite-K
-        K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.0075
-	-delta_H	-196.402	kJ/mol	# Calculated enthalpy of reaction	Saponite-K
+        K.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 26.0075
+	-delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K
 #	Enthalpy of formation:	-1437.74 kcal/mol
-        -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006
+        -analytic 3.2113e+1 1.8392e-2 1.7918e+4 -2.2874e+1 -1.3542e+6
 #       -Range:  0-300
 
 Saponite-Mg
-        Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.2523
-	-delta_H	-210.822	kJ/mol	# Calculated enthalpy of reaction	Saponite-Mg
+        Mg3.165Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 26.2523
+	-delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg
 #	Enthalpy of formation:	-1432.79 kcal/mol
-        -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006
+        -analytic 9.8888e+0 1.432e-2 1.9418e+4 -1.5259e+1 -1.3716e+6
 #       -Range:  0-300
 
 Saponite-Na
-        Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+  =  + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
-        log_k           26.3459
-	-delta_H	-201.401	kJ/mol	# Calculated enthalpy of reaction	Saponite-Na
+        Na.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
+        log_k 26.3459
+	-delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na
 #	Enthalpy of formation:	-1435.61 kcal/mol
-        -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006
+        -analytic -6.7611e+1 4.7327e-3 2.3586e+4 1.2868e+1 -1.6493e+6
 #       -Range:  0-300
 
 Sb
-       Sb +1.5000 H2O +0.7500 O2  =  + 1.0000 Sb(OH)3
-        log_k           52.7918
-	-delta_H	-335.931	kJ/mol	# Calculated enthalpy of reaction	Sb
+       Sb + 1.5 H2O + 0.75 O2 = Sb(OH)3
+        log_k 52.7918
+	-delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb
 #	Enthalpy of formation:	0 kJ/mol
 
 Sb(OH)3
-       Sb(OH)3  =  + 1.0000 Sb(OH)3
-        log_k           -7.0953
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb(OH)3
+       Sb(OH)3 = Sb(OH)3
+        log_k -7.0953
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Sb2O3
-       Sb2O3 +3.0000 H2O  =  + 2.0000 Sb(OH)3
-        log_k           -8.9600
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sb2O3
+       Sb2O3 + 3 H2O = 2 Sb(OH)3
+        log_k -8.96
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000
+        -analytic 2.3982e+0 -7.6326e-5 -3.3787e+3 0e+0 0e+0
 #       -Range:  0-300
 
 Sb2O4
-       Sb2O4 +3.0000 H2O  =  + 0.5000 O2 + 2.0000 Sb(OH)3
-        log_k           -39.6139
-	-delta_H	211.121	kJ/mol	# Calculated enthalpy of reaction	Sb2O4
+       Sb2O4 + 3 H2O = 0.5 O2 + 2 Sb(OH)3
+        log_k -39.6139
+	-delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4
 #	Enthalpy of formation:	-907.251 kJ/mol
 
 Sb2O5
-       Sb2O5 +3.0000 H2O  =  + 1.0000 O2 + 2.0000 Sb(OH)3
-        log_k           -46.9320
-	-delta_H	269.763	kJ/mol	# Calculated enthalpy of reaction	Sb2O5
+       Sb2O5 + 3 H2O = O2 + 2 Sb(OH)3
+        log_k -46.932
+	-delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5
 #	Enthalpy of formation:	-971.96 kJ/mol
 
 Sb4O6(cubic)
-       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
-        log_k           -19.6896
-	-delta_H	59.898	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(cubic)
+       Sb4O6 + 6 H2O = 4 Sb(OH)3
+        log_k -19.6896
+	-delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic)
 #	Enthalpy of formation:	-1440.02 kJ/mol
 
 Sb4O6(orthorhombic)
-       Sb4O6 +6.0000 H2O  =  + 4.0000 Sb(OH)3
-        log_k           -17.0442
-	-delta_H	37.314	kJ/mol	# Calculated enthalpy of reaction	Sb4O6(orthorhombic)
+       Sb4O6 + 6 H2O = 4 Sb(OH)3
+        log_k -17.0442
+	-delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic)
 #	Enthalpy of formation:	-1417.44 kJ/mol
 
 SbBr3
-       SbBr3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+
-        log_k           1.0554
-	-delta_H	-21.5871	kJ/mol	# Calculated enthalpy of reaction	SbBr3
+       SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+
+        log_k 1.0554
+	-delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3
 #	Enthalpy of formation:	-259.197 kJ/mol
 
 SbCl3
-       SbCl3 +3.0000 H2O  =  + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+
-        log_k           0.5878
-	-delta_H	-35.393	kJ/mol	# Calculated enthalpy of reaction	SbCl3
+       SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+
+        log_k 0.5878
+	-delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3
 #	Enthalpy of formation:	-382.12 kJ/mol
 
 Sc
-       Sc +3.0000 H+ +0.7500 O2  =  + 1.0000 Sc+++ + 1.5000 H2O
-        log_k           167.2700
-	-delta_H	-1033.87	kJ/mol	# Calculated enthalpy of reaction	Sc
+       Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
+        log_k 167.27
+	-delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002
+        -analytic -6.6922e+1 -2.915e-2 5.4559e+4 2.4189e+1 8.5137e+2
 #       -Range:  0-300
 
 Scacchite
-        MnCl2  =  + 1.0000 Mn++ + 2.0000 Cl-
-        log_k           8.7785
-	-delta_H	-73.4546	kJ/mol	# Calculated enthalpy of reaction	Scacchite
+        MnCl2 = Mn+2 + 2 Cl-
+        log_k 8.7785
+	-delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite
 #	Enthalpy of formation:	-481.302 kJ/mol
-        -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002
+        -analytic -2.3476e+2 -8.2437e-2 9.0088e+3 9.6128e+1 1.4064e+2
 #       -Range:  0-300
 
 Schoepite
-        UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.8333
-	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	Schoepite
+        UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 4.8333
+	-delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite
 #	Enthalpy of formation:	-1826.1 kJ/mol
-        -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001
+        -analytic 1.3645e+1 1.0884e-2 2.5412e+3 -8.3167e+0 3.9649e+1
 #       -Range:  0-300
 
 Schoepite-dehy(.393)
-        UO3:.393H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.3930 H2O
-        log_k           6.7243
-	-delta_H	-69.2728	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.393)
+        UO3:.393H2O + 2 H+ = UO2+2 + 1.393 H2O
+        log_k 6.7243
+	-delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393)
 #	Enthalpy of formation:	-1347.9 kJ/mol
-        -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001
+        -analytic -5.6487e+1 -3.0358e-3 5.7044e+3 1.8179e+1 9.6887e+1
 #       -Range:  0-200
 
 Schoepite-dehy(.648)
-        UO3:.648H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.6480 H2O
-        log_k           6.2063
-	-delta_H	-65.4616	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.648)
+        UO3:.648H2O + 2 H+ = UO2+2 + 1.648 H2O
+        log_k 6.2063
+	-delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648)
 #	Enthalpy of formation:	-1424.6 kJ/mol
-        -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001
+        -analytic -6.301e+1 -3.0276e-3 5.8033e+3 2.0471e+1 9.8569e+1
 #       -Range:  0-200
 
 Schoepite-dehy(.85)
-        UO3:.85H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.8500 H2O
-        log_k           5.0970
-	-delta_H	-56.4009	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.85)
+        UO3:.85H2O + 2 H+ = UO2+2 + 1.85 H2O
+        log_k 5.097
+	-delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85)
 #	Enthalpy of formation:	-1491.4 kJ/mol
-        -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001
+        -analytic -6.7912e+1 -3.042e-3 5.569e+3 2.2323e+1 9.4593e+1
 #       -Range:  0-200
 
 Schoepite-dehy(.9)
-        UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
-        log_k           5.0167
-	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(.9)
+        UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O
+        log_k 5.0167
+	-delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9)
 #	Enthalpy of formation:	-1506.3 kJ/mol
-        -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001
+        -analytic -1.5998e+1 -2.0144e-3 3.291e+3 4.2751e+0 5.1358e+1
 #       -Range:  0-300
 
 Schoepite-dehy(1.0)
-        UO3:H2O +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
-        log_k           5.1031
-	-delta_H	-57.4767	kJ/mol	# Calculated enthalpy of reaction	Schoepite-dehy(1.0)
+        UO3:H2O + 2 H+ = UO2+2 + 2 H2O
+        log_k 5.1031
+	-delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0)
 #	Enthalpy of formation:	-1533.2 kJ/mol
-        -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001
+        -analytic -7.208e+1 -3.0503e-3 5.8024e+3 2.3695e+1 9.8557e+1
 #       -Range:  0-200
 
 Scolecite
-        CaAl2Si3O10:3H2O +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           15.8767
-	-delta_H	-204.93	kJ/mol	# Calculated enthalpy of reaction	Scolecite
+        CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
+        log_k 15.8767
+	-delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite
 #	Enthalpy of formation:	-6048.92 kJ/mol
-        -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005
+        -analytic 5.0656e+1 -3.1485e-3 1.0574e+4 -2.5663e+1 -5.2769e+5
 #       -Range:  0-300
 
 Se
-       Se +1.0000 H2O +1.0000 O2  =  + 1.0000 SeO3-- + 2.0000 H+
-        log_k           26.1436
-	-delta_H	-211.221	kJ/mol	# Calculated enthalpy of reaction	Se
+       Se + H2O + O2 = SeO3-2 + 2 H+
+        log_k 26.1436
+	-delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002
+        -analytic -9.5144e+1 -6.5681e-2 1.0736e+4 4.2358e+1 1.6755e+2
 #       -Range:  0-300
 
 Se2O5
-       Se2O5 +2.0000 H2O  =  + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+
-        log_k           9.5047
-	-delta_H	-123.286	kJ/mol	# Calculated enthalpy of reaction	Se2O5
+       Se2O5 + 2 H2O = SeO3-2 + SeO4-2 + 4 H+
+        log_k 9.5047
+	-delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5
 #	Enthalpy of formation:	-98.8 kcal/mol
-        -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000
+        -analytic 1.1013e+2 -2.4491e-2 -5.6147e+2 -3.696e+1 -9.5719e+0
 #       -Range:  0-200
 
 SeCl4
-       SeCl4 +3.0000 H2O  =  + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+
-        log_k           14.4361
-	-delta_H	-131.298	kJ/mol	# Calculated enthalpy of reaction	SeCl4
+       SeCl4 + 3 H2O = SeO3-2 + 4 Cl- + 6 H+
+        log_k 14.4361
+	-delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4
 #	Enthalpy of formation:	-45.1 kcal/mol
-        -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002
+        -analytic -4.0215e+2 -1.8323e-1 1.3074e+4 1.7267e+2 2.0413e+2
 #       -Range:  0-300
 
 SeO3
-       SeO3 +1.0000 H2O  =  + 1.0000 SeO4-- + 2.0000 H+
-        log_k           19.2015
-	-delta_H	-143.022	kJ/mol	# Calculated enthalpy of reaction	SeO3
+       SeO3 + H2O = SeO4-2 + 2 H+
+        log_k 19.2015
+	-delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3
 #	Enthalpy of formation:	-40.7 kcal/mol
-        -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002
+        -analytic -1.4199e+2 -6.4398e-2 9.5505e+3 5.9941e+1 1.4907e+2
 #       -Range:  0-300
 
 Sellaite
-        MgF2  =  + 1.0000 Mg++ + 2.0000 F-
-        log_k           -9.3843
-	-delta_H	-12.4547	kJ/mol	# Calculated enthalpy of reaction	Sellaite
+        MgF2 = Mg+2 + 2 F-
+        log_k -9.3843
+	-delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite
 #	Enthalpy of formation:	-1124.2 kJ/mol
-        -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002
+        -analytic -2.6901e+2 -8.5487e-2 6.8237e+3 1.0595e+2 1.0656e+2
 #       -Range:  0-300
 
 Sepiolite
-        Mg4Si6O15(OH)2:6H2O +8.0000 H+  =  + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O
-        log_k           30.4439
-	-delta_H	-157.339	kJ/mol	# Calculated enthalpy of reaction	Sepiolite
+        Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
+        log_k 30.4439
+	-delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite
 #	Enthalpy of formation:	-2418 kcal/mol
-        -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006
+        -analytic 1.869e+1 4.7544e-2 2.6765e+4 -2.5301e+1 -2.6498e+6
 #       -Range:  0-300
 
 Shcherbinaite
-        V2O5 +2.0000 H+  =  + 1.0000 H2O + 2.0000 VO2+
-        log_k           -1.4520
-	-delta_H	-34.7917	kJ/mol	# Calculated enthalpy of reaction	Shcherbinaite
+        V2O5 + 2 H+ = H2O + 2 VO2+
+        log_k -1.452
+	-delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite
 #	Enthalpy of formation:	-1550.6 kJ/mol
-        -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002
+        -analytic -1.4791e+2 -2.2464e-2 6.6865e+3 5.2832e+1 1.0438e+2
 #       -Range:  0-300
 
 Si
-       Si +1.0000 O2  =  + 1.0000 SiO2
-        log_k           148.9059
-	-delta_H	-865.565	kJ/mol	# Calculated enthalpy of reaction	Si
+       Si + O2 = SiO2
+        log_k 148.9059
+	-delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006
+        -analytic -5.7245e+2 -7.6302e-2 8.3516e+4 2.0045e+2 -2.8494e+6
 #       -Range:  0-300
 
 SiO2(am)
-       SiO2  =  + 1.0000 SiO2
-        log_k           -2.7136
-	-delta_H	20.0539	kJ/mol	# Calculated enthalpy of reaction	SiO2(am)
+       SiO2 = SiO2
+        log_k -2.7136
+	-delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am)
 #	Enthalpy of formation:	-214.568 kcal/mol
-        -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005
+        -analytic 1.2109e+0 7.0767e-3 2.3634e+3 -3.4449e+0 -4.8591e+5
 #       -Range:  0-300
 
 Siderite
-        FeCO3 +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HCO3-
-        log_k           -0.1920
-	-delta_H	-32.5306	kJ/mol	# Calculated enthalpy of reaction	Siderite
+        FeCO3 + H+ = Fe+2 + HCO3-
+        log_k -0.192
+	-delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite
 #	Enthalpy of formation:	-179.173 kcal/mol
-        -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001
+        -analytic -1.599e+2 -4.9361e-2 5.4947e+3 6.3032e+1 8.5787e+1
 #       -Range:  0-300
 
 Sillimanite
-        Al2SiO5 +6.0000 H+  =  + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
-        log_k           16.3080
-	-delta_H	-238.442	kJ/mol	# Calculated enthalpy of reaction	Sillimanite
+        Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
+        log_k 16.308
+	-delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite
 #	Enthalpy of formation:	-615.099 kcal/mol
-        -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002
+        -analytic -7.161e+1 -3.2196e-2 1.2493e+4 2.2449e+1 1.9496e+2
 #       -Range:  0-300
 
 Sklodowskite
-        Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+  =  + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O
-        log_k           13.7915
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sklodowskite
+        Mg(H3O)2(UO2)2(SiO4)2:4H2O + 6 H+ = Mg+2 + 2 SiO2 + 2 UO2+2 + 10 H2O
+        log_k 13.7915
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite
 #	Enthalpy of formation:	0 kcal/mol
 
 Sm
-       Sm +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sm++
-        log_k           133.1614
-	-delta_H	-783.944	kJ/mol	# Calculated enthalpy of reaction	Sm
+       Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
+        log_k 133.1614
+	-delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002
+        -analytic -7.1599e+1 -2.0083e-2 4.2693e+4 2.7291e+1 6.6621e+2
 #       -Range:  0-300
 
 Sm(OH)3
-       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
-        log_k           16.4852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3
+       Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O
+        log_k 16.4852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Sm(OH)3(am)
-       Sm(OH)3 +3.0000 H+  =  + 1.0000 Sm+++ + 3.0000 H2O
-        log_k           18.5852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm(OH)3(am)
+       Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O
+        log_k 18.5852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Sm2(CO3)3
-       Sm2(CO3)3 +3.0000 H+  =  + 2.0000 Sm+++ + 3.0000 HCO3-
-        log_k           -3.5136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(CO3)3
+       Sm2(CO3)3 + 3 H+ = 2 Sm+3 + 3 HCO3-
+        log_k -3.5136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Sm2(SO4)3
-       Sm2(SO4)3  =  + 2.0000 Sm+++ + 3.0000 SO4--
-        log_k           -9.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2(SO4)3
+       Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2
+        log_k -9.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Sm2O3
-       Sm2O3 +6.0000 H+  =  + 2.0000 Sm+++ + 3.0000 H2O
-        log_k           42.9000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Sm2O3
+       Sm2O3 + 6 H+ = 2 Sm+3 + 3 H2O
+        log_k 42.9
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 SmF3:.5H2O
-       SmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F-
-        log_k           -17.5000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmF3:.5H2O
+       SmF3:.5H2O = 0.5 H2O + Sm+3 + 3 F-
+        log_k -17.5
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 SmPO4:10H2O
-       SmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O
-        log_k           -12.1782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SmPO4:10H2O
+       SmPO4:10H2O + H+ = HPO4-2 + Sm+3 + 10 H2O
+        log_k -12.1782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Smectite-high-Fe-Mg
 #        Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
-        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+  =  + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O 
-        log_k           17.4200
-	-delta_H	-199.841	kJ/mol	# Calculated enthalpy of reaction	Smectite-high-Fe-Mg
+        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O
+        log_k 17.42
+	-delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg
 #	Enthalpy of formation:	-1351.39 kcal/mol
-        -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006
+        -analytic -9.6102e+0 1.2551e-3 1.8157e+4 -7.9862e+0 -1.3005e+6
 #       -Range:  0-300
 
 Smectite-low-Fe-Mg
 #        Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
-        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+  =  + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O 
-        log_k           11.0405
-	-delta_H	-144.774	kJ/mol	# Calculated enthalpy of reaction	Smectite-low-Fe-Mg
+        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O
+        log_k 11.0405
+	-delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg
 #	Enthalpy of formation:	-1352.12 kcal/mol
-        -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006
+        -analytic -1.7003e+1 6.9848e-3 1.8359e+4 -6.8896e+0 -1.6637e+6
 #       -Range:  0-300
 
 Smithsonite
-        ZnCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Zn++
-        log_k           0.4633
-	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
+        ZnCO3 + H+ = HCO3- + Zn+2
+        log_k 0.4633
+	-delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite
 #	Enthalpy of formation:	-194.26 kcal/mol
-        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
+        -analytic -1.6452e+2 -5.0231e-2 5.5925e+3 6.5139e+1 8.7314e+1
 #       -Range:  0-300
 
 Sn
-       Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++
-        log_k           47.8615
-	-delta_H	-288.558	kJ/mol	# Calculated enthalpy of reaction	Sn
+       Sn + 2 H+ + 0.5 O2 = H2O + Sn+2
+        log_k 47.8615
+	-delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005
+        -analytic -1.3075e+2 -3.3807e-2 1.9548e+4 5.0382e+1 -1.3868e+5
 #       -Range:  0-300
 
 Sn(OH)2
-       Sn(OH)2 +2.0000 H+  =  + 1.0000 Sn++ + 2.0000 H2O
-        log_k           1.8400
-	-delta_H	-19.6891	kJ/mol	# Calculated enthalpy of reaction	Sn(OH)2
+       Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O
+        log_k 1.84
+	-delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
 #	Enthalpy of formation:	-560.774 kJ/mol
-        -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001
+        -analytic -6.1677e+1 -5.3258e-3 3.3656e+3 2.1748e+1 5.7174e+1
 #       -Range:  0-200
 
 Sn(SO4)2
-       Sn(SO4)2  =  + 1.0000 Sn++++ + 2.0000 SO4--
-        log_k           16.0365
-	-delta_H	-159.707	kJ/mol	# Calculated enthalpy of reaction	Sn(SO4)2
+       Sn(SO4)2 = Sn+4 + 2 SO4-2
+        log_k 16.0365
+	-delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2
 #	Enthalpy of formation:	-389.4 kcal/mol
-        -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001
+        -analytic 1.7787e+1 -5.1758e-2 3.7671e+3 4.1861e-1 6.3965e+1
 #       -Range:  0-200
 
 Sn3S4
-       Sn3S4 +4.0000 H+  =  + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS-
-        log_k           -61.9790
-	-delta_H	318.524	kJ/mol	# Calculated enthalpy of reaction	Sn3S4
+       Sn3S4 + 4 H+ = Sn+4 + 2 Sn+2 + 4 HS-
+        log_k -61.979
+	-delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4
 #	Enthalpy of formation:	-88.5 kcal/mol
-        -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002
+        -analytic -8.1325e+1 -7.4589e-2 -1.7953e+4 4.1138e+1 -3.0484e+2
 #       -Range:  0-200
 
 SnBr2
-       SnBr2  =  + 1.0000 Sn++ + 2.0000 Br-
-        log_k           -1.4369
-	-delta_H	8.24248	kJ/mol	# Calculated enthalpy of reaction	SnBr2
+       SnBr2 = Sn+2 + 2 Br-
+        log_k -1.4369
+	-delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2
 #	Enthalpy of formation:	-62.15 kcal/mol
-        -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001
+        -analytic 2.5384e+1 -1.735e-2 -2.6653e+3 -5.14e+0 -4.5269e+1
 #       -Range:  0-200
 
 SnBr4
-       SnBr4  =  + 1.0000 Sn++++ + 4.0000 Br-
-        log_k           11.1272
-	-delta_H	-78.3763	kJ/mol	# Calculated enthalpy of reaction	SnBr4
+       SnBr4 = Sn+4 + 4 Br-
+        log_k 11.1272
+	-delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4
 #	Enthalpy of formation:	-377.391 kJ/mol
-        -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000
+        -analytic 1.3516e+1 -5.5193e-2 -8.1888e+1 5.7935e+0 -1.394e+0
 #       -Range:  0-200
 
 SnCl2
-       SnCl2  =  + 1.0000 Sn++ + 2.0000 Cl-
-        log_k           0.3225
-	-delta_H	-11.9913	kJ/mol	# Calculated enthalpy of reaction	SnCl2
+       SnCl2 = Sn+2 + 2 Cl-
+        log_k 0.3225
+	-delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2
 #	Enthalpy of formation:	-79.1 kcal/mol
-        -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001
+        -analytic 7.9717e+0 -2.1475e-2 -1.1676e+3 1.0749e+0 -1.9829e+1
 #       -Range:  0-200
 
 SnSO4
-       SnSO4  =  + 1.0000 SO4-- + 1.0000 Sn++
-        log_k           -23.9293
-	-delta_H	96.232	kJ/mol	# Calculated enthalpy of reaction	SnSO4
+       SnSO4 = SO4-2 + Sn+2
+        log_k -23.9293
+	-delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4
 #	Enthalpy of formation:	-242.5 kcal/mol
-        -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002
+        -analytic 3.0046e+1 -1.4238e-2 -7.5915e+3 -9.8122e+0 -1.2892e+2
 #       -Range:  0-200
 
 SnSe
-       SnSe  =  + 1.0000 Se-- + 1.0000 Sn++
-        log_k           -32.9506
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe
+       SnSe = Se-2 + Sn+2
+        log_k -32.9506
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnSe
 #	Enthalpy of formation:	-21.2 kcal/mol
-        -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002
+        -analytic 4.2342e+0 9.5462e-4 -8.0009e+3 -4.2997e+0 -1.3587e+2
 #       -Range:  0-200
 
 SnSe2
-       SnSe2  =  + 1.0000 Sn++++ + 2.0000 Se--
-        log_k           -66.6570
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SnSe2
+       SnSe2 = Sn+4 + 2 Se-2
+        log_k -66.657
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2
 #	Enthalpy of formation:	-29.8 kcal/mol
-        -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002
+        -analytic -3.6819e+1 -2.0966e-2 -1.5197e+4 1.107e+1 -2.5806e+2
 #       -Range:  0-200
 
 Soddyite
-        (UO2)2SiO4:2H2O +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
-        log_k           0.3920
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Soddyite
+        (UO2)2SiO4:2H2O + 4 H+ = SiO2 + 2 UO2+2 + 4 H2O
+        log_k 0.392
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite
 #	Enthalpy of formation:	0 kcal/mol
 
 Sphaerocobaltite
-        CoCO3 +1.0000 H+  =  + 1.0000 Co++ + 1.0000 HCO3-
-        log_k           -0.2331
-	-delta_H	-30.7064	kJ/mol	# Calculated enthalpy of reaction	Sphaerocobaltite
+        CoCO3 + H+ = Co+2 + HCO3-
+        log_k -0.2331
+	-delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite
 #	Enthalpy of formation:	-171.459 kcal/mol
-        -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001
+        -analytic -1.5709e+2 -4.8957e-2 5.3158e+3 6.2075e+1 8.2995e+1
 #       -Range:  0-300
 
 Sphalerite
-        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
-        log_k           -11.4400
-	-delta_H	35.5222	kJ/mol	# Calculated enthalpy of reaction	Sphalerite
+        ZnS + H+ = HS- + Zn+2
+        log_k -11.44
+	-delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite
 #	Enthalpy of formation:	-49 kcal/mol
-        -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001
+        -analytic -1.5497e+2 -4.8953e-2 1.785e+3 6.1472e+1 2.7899e+1
 #       -Range:  0-300
 
 Spinel
-        Al2MgO4 +8.0000 H+  =  + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O
-        log_k           37.6295
-	-delta_H	-398.108	kJ/mol	# Calculated enthalpy of reaction	Spinel
+        Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+        log_k 37.6295
+	-delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel
 #	Enthalpy of formation:	-546.847 kcal/mol
-        -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002
+        -analytic -3.3895e+2 -8.3595e-2 2.9251e+4 1.226e+2 4.5654e+2
 #       -Range:  0-300
 
 Spinel-Co
-        Co3O4 +8.0000 H+  =  + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O
-        log_k           -6.4852
-	-delta_H	-126.415	kJ/mol	# Calculated enthalpy of reaction	Spinel-Co
+        Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
+        log_k -6.4852
+	-delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co
 #	Enthalpy of formation:	-891 kJ/mol
-        -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002
+        -analytic -3.2239e+2 -8.0782e-2 1.4635e+4 1.1755e+2 2.2846e+2
 #       -Range:  0-300
 
 Spodumene
-        LiAlSi2O6 +4.0000 H+  =  + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2
-        log_k           6.9972
-	-delta_H	-89.1817	kJ/mol	# Calculated enthalpy of reaction	Spodumene
+        LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
+        log_k 6.9972
+	-delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene
 #	Enthalpy of formation:	-3054.75 kJ/mol
-        -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005
+        -analytic -9.8111e+0 2.1191e-3 9.692e+3 -3.0484e+0 -7.8822e+5
 #       -Range:  0-300
 
 Sr
-       Sr +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sr++
-        log_k           141.7816
-	-delta_H	-830.679	kJ/mol	# Calculated enthalpy of reaction	Sr
+       Sr + 2 H+ + 0.5 O2 = H2O + Sr+2
+        log_k 141.7816
+	-delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005
+        -analytic -1.6271e+2 -3.1212e-2 5.152e+4 5.9178e+1 -4.839e+5
 #       -Range:  0-300
 
 Sr(NO3)2
-       Sr(NO3)2  =  + 1.0000 Sr++ + 2.0000 NO3-
-        log_k           1.1493
-	-delta_H	13.7818	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2
+       Sr(NO3)2 = Sr+2 + 2 NO3-
+        log_k 1.1493
+	-delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2
 #	Enthalpy of formation:	-978.311 kJ/mol
-        -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001
+        -analytic 2.8914e+0 -1.2487e-2 -1.4872e+3 2.8124e+0 -2.5256e+1
 #       -Range:  0-200
 
 Sr(NO3)2:4H2O
-       Sr(NO3)2:4H2O  =  + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O
-        log_k           0.6976
-	-delta_H	47.9045	kJ/mol	# Calculated enthalpy of reaction	Sr(NO3)2:4H2O
+       Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O
+        log_k 0.6976
+	-delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O
 #	Enthalpy of formation:	-2155.79 kJ/mol
-        -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001
+        -analytic -8.4518e+1 -9.1155e-3 1.0856e+3 3.4061e+1 1.8464e+1
 #       -Range:  0-200
 
 Sr(OH)2
-       Sr(OH)2 +2.0000 H+  =  + 1.0000 Sr++ + 2.0000 H2O
-        log_k           27.5229
-	-delta_H	-153.692	kJ/mol	# Calculated enthalpy of reaction	Sr(OH)2
+       Sr(OH)2 + 2 H+ = Sr+2 + 2 H2O
+        log_k 27.5229
+	-delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2
 #	Enthalpy of formation:	-968.892 kJ/mol
-        -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002
+        -analytic -5.1871e+1 -2.9123e-3 1.0175e+4 1.8643e+1 1.728e+2
 #       -Range:  0-200
 
 Sr2SiO4
-       Sr2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++
-        log_k           42.8076
-	-delta_H	-244.583	kJ/mol	# Calculated enthalpy of reaction	Sr2SiO4
+       Sr2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Sr+2
+        log_k 42.8076
+	-delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4
 #	Enthalpy of formation:	-2306.61 kJ/mol
-        -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005
+        -analytic 3.0319e+1 2.0204e-3 1.2729e+4 -1.1584e+1 -1.948e+5
 #       -Range:  0-300
 
 Sr3(AsO4)2
-       Sr3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Sr++
-        log_k           20.6256
-	-delta_H	-152.354	kJ/mol	# Calculated enthalpy of reaction	Sr3(AsO4)2
+       Sr3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Sr+2
+        log_k 20.6256
+	-delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2
 #	Enthalpy of formation:	-3319.49 kJ/mol
-        -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002
+        -analytic -8.4749e+1 -2.9367e-2 9.5849e+3 3.3126e+1 1.6279e+2
 #       -Range:  0-200
 
 SrBr2
-       SrBr2  =  + 1.0000 Sr++ + 2.0000 Br-
-        log_k           13.1128
-	-delta_H	-75.106	kJ/mol	# Calculated enthalpy of reaction	SrBr2
+       SrBr2 = Sr+2 + 2 Br-
+        log_k 13.1128
+	-delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2
 #	Enthalpy of formation:	-718.808 kJ/mol
-        -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002
+        -analytic -1.8512e+2 -7.2423e-2 7.6861e+3 7.8401e+1 1.1999e+2
 #       -Range:  0-300
 
 SrBr2:6H2O
-       SrBr2:6H2O  =  + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O
-        log_k           3.6678
-	-delta_H	23.367	kJ/mol	# Calculated enthalpy of reaction	SrBr2:6H2O
+       SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O
+        log_k 3.6678
+	-delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O
 #	Enthalpy of formation:	-2532.31 kJ/mol
-        -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001
+        -analytic -2.247e+2 -6.792e-2 4.9432e+3 9.3758e+1 7.72e+1
 #       -Range:  0-300
 
 SrBr2:H2O
-       SrBr2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br-
-        log_k           9.6057
-	-delta_H	-47.5853	kJ/mol	# Calculated enthalpy of reaction	SrBr2:H2O
+       SrBr2:H2O = H2O + Sr+2 + 2 Br-
+        log_k 9.6057
+	-delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O
 #	Enthalpy of formation:	-1032.17 kJ/mol
-        -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002
+        -analytic -1.9103e+2 -7.1402e-2 6.6358e+3 8.0673e+1 1.036e+2
 #       -Range:  0-300
 
 SrCl2
-       SrCl2  =  + 1.0000 Sr++ + 2.0000 Cl-
-        log_k           7.9389
-	-delta_H	-55.0906	kJ/mol	# Calculated enthalpy of reaction	SrCl2
+       SrCl2 = Sr+2 + 2 Cl-
+        log_k 7.9389
+	-delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2
 #	Enthalpy of formation:	-829.976 kJ/mol
-        -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002
+        -analytic -2.0097e+2 -7.6193e-2 7.0396e+3 8.405e+1 1.0991e+2
 #       -Range:  0-300
 
 SrCl2:2H2O
-       SrCl2:2H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O
-        log_k           3.3248
-	-delta_H	-17.7313	kJ/mol	# Calculated enthalpy of reaction	SrCl2:2H2O
+       SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O
+        log_k 3.3248
+	-delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O
 #	Enthalpy of formation:	-1439.01 kJ/mol
-        -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001
+        -analytic -2.1551e+2 -7.4349e-2 5.94e+3 8.933e+1 9.2752e+1
 #       -Range:  0-300
 
 SrCl2:6H2O
-       SrCl2:6H2O  =  + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O
-        log_k           1.5038
-	-delta_H	24.6964	kJ/mol	# Calculated enthalpy of reaction	SrCl2:6H2O
+       SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O
+        log_k 1.5038
+	-delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O
 #	Enthalpy of formation:	-2624.79 kJ/mol
-        -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001
+        -analytic -1.3225e+2 -1.826e-2 3.7077e+3 5.1224e+1 6.3008e+1
 #       -Range:  0-200
 
 SrCl2:H2O
-       SrCl2:H2O  =  + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl-
-        log_k           4.7822
-	-delta_H	-33.223	kJ/mol	# Calculated enthalpy of reaction	SrCl2:H2O
+       SrCl2:H2O = H2O + Sr+2 + 2 Cl-
+        log_k 4.7822
+	-delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O
 #	Enthalpy of formation:	-1137.68 kJ/mol
-        -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002
+        -analytic -2.1825e+2 -7.7851e-2 6.5957e+3 9.0555e+1 1.0298e+2
 #       -Range:  0-300
 
 SrCrO4
-       SrCrO4  =  + 1.0000 CrO4-- + 1.0000 Sr++
-        log_k           -3.8849
-	-delta_H	-1.73636	kJ/mol	# Calculated enthalpy of reaction	SrCrO4
+       SrCrO4 = CrO4-2 + Sr+2
+        log_k -3.8849
+	-delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4
 #	Enthalpy of formation:	-341.855 kcal/mol
-        -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001
+        -analytic 2.3424e+1 -1.5589e-2 -2.1393e+3 -6.2628e+0 -3.6337e+1
 #       -Range:  0-200
 
 SrF2
-       SrF2  =  + 1.0000 Sr++ + 2.0000 F-
-        log_k           -8.5400
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrF2
+       SrF2 = Sr+2 + 2 F-
+        log_k -8.54
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrF2
 #	Enthalpy of formation:	0 kcal/mol
 
 SrHPO4
-       SrHPO4  =  + 1.0000 HPO4-- + 1.0000 Sr++
-        log_k           -6.2416
-	-delta_H	-19.7942	kJ/mol	# Calculated enthalpy of reaction	SrHPO4
+       SrHPO4 = HPO4-2 + Sr+2
+        log_k -6.2416
+	-delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4
 #	Enthalpy of formation:	-1823.19 kJ/mol
-        -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001
+        -analytic 5.4057e+0 -1.8533e-2 -8.2021e+2 -1.3667e+0 -1.393e+1
 #       -Range:  0-200
 
 SrI2
-       SrI2  =  + 1.0000 Sr++ + 2.0000 I-
-        log_k           19.2678
-	-delta_H	-103.218	kJ/mol	# Calculated enthalpy of reaction	SrI2
+       SrI2 = Sr+2 + 2 I-
+        log_k 19.2678
+	-delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2
 #	Enthalpy of formation:	-561.494 kJ/mol
-        -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002
+        -analytic -1.8168e+2 -7.2083e-2 9.0759e+3 7.7577e+1 1.4167e+2
 #       -Range:  0-300
 
 SrO
-       SrO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++
-        log_k           41.8916
-	-delta_H	-243.875	kJ/mol	# Calculated enthalpy of reaction	SrO
+       SrO + 2 H+ = H2O + Sr+2
+        log_k 41.8916
+	-delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO
 #	Enthalpy of formation:	-592.871 kJ/mol
-        -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002
+        -analytic -5.8463e+1 -1.424e-2 1.4417e+4 2.2725e+1 2.2499e+2
 #       -Range:  0-300
 
 SrS
-       SrS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Sr++
-        log_k           14.7284
-	-delta_H	-93.3857	kJ/mol	# Calculated enthalpy of reaction	SrS
+       SrS + H+ = HS- + Sr+2
+        log_k 14.7284
+	-delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS
 #	Enthalpy of formation:	-473.63 kJ/mol
-        -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002
+        -analytic -1.3048e+2 -4.4837e-2 7.8429e+3 5.3442e+1 1.2242e+2
 #       -Range:  0-300
 
 SrSeO4
-       SrSeO4  =  + 1.0000 SeO4-- + 1.0000 Sr++
-        log_k           -4.4000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSeO4
+       SrSeO4 = SeO4-2 + Sr+2
+        log_k -4.4
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4
 #	Enthalpy of formation:	0 kcal/mol
 
 SrSiO3
-       SrSiO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++
-        log_k           14.8438
-	-delta_H	-79.6112	kJ/mol	# Calculated enthalpy of reaction	SrSiO3
+       SrSiO3 + 2 H+ = H2O + SiO2 + Sr+2
+        log_k 14.8438
+	-delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3
 #	Enthalpy of formation:	-1634.83 kJ/mol
-        -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005
+        -analytic 2.2592e+1 6.0821e-3 5.9982e+3 -1.0213e+1 -3.9529e+5
 #       -Range:  0-300
 
 SrUO4(alpha)
-       SrUO4 +4.0000 H+  =  + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O
-        log_k           19.1650
-	-delta_H	-151.984	kJ/mol	# Calculated enthalpy of reaction	SrUO4(alpha)
+       SrUO4 + 4 H+ = Sr+2 + UO2+2 + 2 H2O
+        log_k 19.165
+	-delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha)
 #	Enthalpy of formation:	-1989.6 kJ/mol
-        -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002
+        -analytic -7.4169e+1 -1.6686e-2 9.8721e+3 2.6345e+1 1.5407e+2
 #       -Range:  0-300
 
 SrZrO3
-       SrZrO3 +4.0000 H+  =  + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++
-        log_k           -131.4664
-	-delta_H	706.983	kJ/mol	# Calculated enthalpy of reaction	SrZrO3
+       SrZrO3 + 4 H+ = H2O + Sr+2 + Zr(OH)2+2
+        log_k -131.4664
+	-delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3
 #	Enthalpy of formation:	-629.677 kcal/mol
-        -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002
+        -analytic -5.8512e+1 -9.5738e-3 -3.5254e+4 1.9459e+1 -5.9865e+2
 #       -Range:  0-200
 
 Starkeyite
-        MgSO4:4H2O  =  + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O
-        log_k           -0.9999
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Starkeyite
+        MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O
+        log_k -0.9999
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite
 #	Enthalpy of formation:	0 kcal/mol
 
 Stibnite
-        Sb2S3 +6.0000 H2O  =  + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS-
-        log_k           -53.1100
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stibnite
+        Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS-
+        log_k -53.11
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002
+        -analytic 2.5223e+1 -5.9186e-2 -2.086e+4 3.6892e+0 -3.2551e+2
 #       -Range:  0-300
 
 Stilbite
-        Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+  =  + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O
-        log_k           1.0545
-	-delta_H	-83.0019	kJ/mol	# Calculated enthalpy of reaction	Stilbite
+        Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
+        log_k 1.0545
+	-delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite
 #	Enthalpy of formation:	-11005.7 kJ/mol
-        -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006
+        -analytic -2.4483e+1 3.0987e-2 2.8013e+4 -1.5802e+1 -3.4491e+6
 #       -Range:  0-300
 
 Stilleite
-        ZnSe  =  + 1.0000 Se-- + 1.0000 Zn++
-        log_k           -23.9693
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Stilleite
+        ZnSe = Se-2 + Zn+2
+        log_k -23.9693
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite
 #	Enthalpy of formation:	-37.97 kcal/mol
-        -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001
+        -analytic -6.1948e+1 -1.7004e-2 -2.4498e+3 2.0712e+1 -3.8209e+1
 #       -Range:  0-300
 
 Strengite
-        FePO4:2H2O +1.0000 H+  =  + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O
-        log_k           -11.3429
-	-delta_H	-37.107	kJ/mol	# Calculated enthalpy of reaction	Strengite
+        FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
+        log_k -11.3429
+	-delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite
 #	Enthalpy of formation:	-1876.23 kJ/mol
-        -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002
+        -analytic -2.7752e+2 -9.4014e-2 7.6862e+3 1.0846e+2 1.2002e+2
 #       -Range:  0-300
 
 Strontianite
-        SrCO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 Sr++
-        log_k           -0.3137
-	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
+        SrCO3 + H+ = HCO3- + Sr+2
+        log_k -0.3137
+	-delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite
 #	Enthalpy of formation:	-294.6 kcal/mol
-        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
+        -analytic -1.3577e+2 -4.4884e-2 3.5729e+3 5.5296e+1 5.5791e+1
 #       -Range:  0-300
 
 Sylvite
-        KCl  =  + 1.0000 Cl- + 1.0000 K+
-        log_k           0.8459
-	-delta_H	17.4347	kJ/mol	# Calculated enthalpy of reaction	Sylvite
+        KCl = Cl- + K+
+        log_k 0.8459
+	-delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite
 #	Enthalpy of formation:	-104.37 kcal/mol
-        -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001
+        -analytic -8.1204e+1 -3.3074e-2 8.2819e+2 3.6014e+1 1.2947e+1
 #       -Range:  0-300
 
 Syngenite
-        K2Ca(SO4)2:H2O  =  + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4--
-        log_k           -7.6001
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Syngenite
+        K2Ca(SO4)2:H2O = Ca+2 + H2O + 2 K+ + 2 SO4-2
+        log_k -7.6001
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite
 #	Enthalpy of formation:	0 kcal/mol
 
 Tachyhydrite
-        Mg2CaCl6:12H2O  =  + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O
-        log_k           17.1439
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tachyhydrite
+        Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O
+        log_k 17.1439
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite
 #	Enthalpy of formation:	0 kcal/mol
 
 Talc
-        Mg3Si4O10(OH)2 +6.0000 H+  =  + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2
-        log_k           21.1383
-	-delta_H	-148.737	kJ/mol	# Calculated enthalpy of reaction	Talc
+        Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
+        log_k 21.1383
+	-delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc
 #	Enthalpy of formation:	-1410.92 kcal/mol
-        -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006
+        -analytic 1.1164e+1 2.4724e-2 1.981e+4 -1.7568e+1 -1.8241e+6
 #       -Range:  0-300
 
 Tarapacaite
-        K2CrO4  =  + 1.0000 CrO4-- + 2.0000 K+
-        log_k           -0.4037
-	-delta_H	17.8238	kJ/mol	# Calculated enthalpy of reaction	Tarapacaite
+        K2CrO4 = CrO4-2 + 2 K+
+        log_k -0.4037
+	-delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite
 #	Enthalpy of formation:	-335.4 kcal/mol
-        -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001
+        -analytic 2.7953e+1 -1.0863e-2 -2.7589e+3 -6.4154e+0 -4.6859e+1
 #       -Range:  0-200
 
 Tb
-       Tb +3.0000 H+ +0.7500 O2  =  + 1.0000 Tb+++ + 1.5000 H2O
-        log_k           181.4170
-	-delta_H	-1117.97	kJ/mol	# Calculated enthalpy of reaction	Tb
+       Tb + 3 H+ + 0.75 O2 = Tb+3 + 1.5 H2O
+        log_k 181.417
+	-delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002
+        -analytic -5.2354e+1 -2.692e-2 5.8391e+4 1.8555e+1 9.1115e+2
 #       -Range:  0-300
 
 Tb(OH)3
-       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
-        log_k           15.6852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3
+       Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O
+        log_k 15.6852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Tb(OH)3(am)
-       Tb(OH)3 +3.0000 H+  =  + 1.0000 Tb+++ + 3.0000 H2O
-        log_k           18.7852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb(OH)3(am)
+       Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O
+        log_k 18.7852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Tb2(CO3)3
-       Tb2(CO3)3 +3.0000 H+  =  + 2.0000 Tb+++ + 3.0000 HCO3-
-        log_k           -3.2136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2(CO3)3
+       Tb2(CO3)3 + 3 H+ = 2 Tb+3 + 3 HCO3-
+        log_k -3.2136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Tb2O3
-       Tb2O3 +6.0000 H+  =  + 2.0000 Tb+++ + 3.0000 H2O
-        log_k           47.1000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tb2O3
+       Tb2O3 + 6 H+ = 2 Tb+3 + 3 H2O
+        log_k 47.1
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 TbF3:.5H2O
-       TbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F-
-        log_k           -16.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbF3:.5H2O
+       TbF3:.5H2O = 0.5 H2O + Tb+3 + 3 F-
+        log_k -16.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 TbPO4:10H2O
-       TbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O
-        log_k           -11.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TbPO4:10H2O
+       TbPO4:10H2O + H+ = HPO4-2 + Tb+3 + 10 H2O
+        log_k -11.9782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Tc
-       Tc +1.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 TcO4-
-        log_k           93.5811
-	-delta_H	-552.116	kJ/mol	# Calculated enthalpy of reaction	Tc
+       Tc + 1.75 O2 + 0.5 H2O = H+ + TcO4-
+        log_k 93.5811
+	-delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005
+        -analytic 2.267e+1 -1.205e-2 3.0174e+4 -8.4053e+0 -5.2577e+5
 #       -Range:  0-300
 
 Tc(OH)2
-       Tc(OH)2 +3.0000 H+ +0.2500 O2  =  + 1.0000 Tc+++ + 2.5000 H2O
-        log_k           5.2714
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)2
+       Tc(OH)2 + 3 H+ + 0.25 O2 = Tc+3 + 2.5 H2O
+        log_k 5.2714
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Tc(OH)3
-       Tc(OH)3 +3.0000 H+  =  + 1.0000 Tc+++ + 3.0000 H2O
-        log_k           -9.2425
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc(OH)3
+       Tc(OH)3 + 3 H+ = Tc+3 + 3 H2O
+        log_k -9.2425
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Tc2O7
-       Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-
-        log_k           13.1077
-	-delta_H	-26.5357	kJ/mol	# Calculated enthalpy of reaction	Tc2O7
+       Tc2O7 + H2O = 2 H+ + 2 TcO4-
+        log_k 13.1077
+	-delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7
 #	Enthalpy of formation:	-1120.16 kJ/mol
-        -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001
+        -analytic 8.7535e+1 1.5366e-2 -1.1919e+3 -3.0317e+1 -2.0271e+1
 #       -Range:  0-200
 
 Tc2S7
-       Tc2S7 +8.0000 H2O  =  + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+
-        log_k           -230.2410
-	-delta_H	1356.41	kJ/mol	# Calculated enthalpy of reaction	Tc2S7
+       Tc2S7 + 8 H2O = 2 TcO4- + 7 HS- + 9 H+
+        log_k -230.241
+	-delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7
 #	Enthalpy of formation:	-615 kJ/mol
-        -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003
+        -analytic 2.456e+2 -4.3355e-2 -8.4192e+4 -7.2967e+1 -1.4298e+3
 #       -Range:  0-200
 
 Tc3O4
-       Tc3O4 +9.0000 H+ +0.2500 O2  =  + 3.0000 Tc+++ + 4.5000 H2O
-        log_k           -19.2271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc3O4
+       Tc3O4 + 9 H+ + 0.25 O2 = 3 Tc+3 + 4.5 H2O
+        log_k -19.2271
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4
 #	Enthalpy of formation:	0 kcal/mol
 
 Tc4O7
-       Tc4O7 +10.0000 H+  =  + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O
-        log_k           -26.0149
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tc4O7
+       Tc4O7 + 10 H+ = 2 Tc+3 + 2 TcO+2 + 5 H2O
+        log_k -26.0149
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7
 #	Enthalpy of formation:	0 kcal/mol
 
 TcO2:2H2O(am)
-       TcO2:2H2O +2.0000 H+  =  + 1.0000 TcO++ + 3.0000 H2O
-        log_k           -4.2319
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO2:2H2O(am)
+       TcO2:2H2O + 2 H+ = TcO+2 + 3 H2O
+        log_k -4.2319
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 TcO3
-       TcO3 +1.0000 H2O  =  + 1.0000 TcO4-- + 2.0000 H+
-        log_k           -23.1483
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcO3
+       TcO3 + H2O = TcO4-2 + 2 H+
+        log_k -23.1483
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcO3
 #	Enthalpy of formation:	-540 kJ/mol
 
 TcOH
-       TcOH +3.0000 H+ +0.5000 O2  =  + 1.0000 Tc+++ + 2.0000 H2O
-        log_k           24.9009
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcOH
+       TcOH + 3 H+ + 0.5 O2 = Tc+3 + 2 H2O
+        log_k 24.9009
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcOH
 #	Enthalpy of formation:	0 kcal/mol
 
 TcS2
-       TcS2 +1.0000 H2O  =  + 1.0000 TcO++ + 2.0000 HS-
-        log_k           -65.9742
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS2
+       TcS2 + H2O = TcO+2 + 2 HS-
+        log_k -65.9742
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcS2
 #	Enthalpy of formation:	-224 kJ/mol
 
 TcS3
-       TcS3 +4.0000 H2O  =  + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+
-        log_k           -119.5008
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TcS3
+       TcS3 + 4 H2O = TcO4-2 + 3 HS- + 5 H+
+        log_k -119.5008
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TcS3
 #	Enthalpy of formation:	-276 kJ/mol
 
 Tenorite
-        CuO +2.0000 H+  =  + 1.0000 Cu++ + 1.0000 H2O
-        log_k           7.6560
-	-delta_H	-64.5047	kJ/mol	# Calculated enthalpy of reaction	Tenorite
+        CuO + 2 H+ = Cu+2 + H2O
+        log_k 7.656
+	-delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite
 #	Enthalpy of formation:	-37.2 kcal/mol
-        -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001
+        -analytic -8.9899e+1 -1.8886e-2 6.0346e+3 3.3517e+1 9.4191e+1
 #       -Range:  0-300
 
 Tephroite
-        Mn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++
-        log_k           23.0781
-	-delta_H	-160.1	kJ/mol	# Calculated enthalpy of reaction	Tephroite
+        Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
+        log_k 23.0781
+	-delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite
 #	Enthalpy of formation:	-1730.47 kJ/mol
-        -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002
+        -analytic -3.244e+1 -1.1023e-2 8.891e+3 1.1691e+1 1.3875e+2
 #       -Range:  0-300
 
 Th
-       Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O
-        log_k           209.6028
-	-delta_H	-1328.56	kJ/mol	# Calculated enthalpy of reaction	Th
+       Th + 4 H+ + O2 = Th+4 + 2 H2O
+        log_k 209.6028
+	-delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003
+        -analytic -2.8256e+1 -1.1963e-2 6.887e+4 4.2068e+0 1.0747e+3
 #       -Range:  0-300
 
 Th(NO3)4:5H2O
-       Th(NO3)4:5H2O  =  + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O
-        log_k           1.7789
-	-delta_H	-18.1066	kJ/mol	# Calculated enthalpy of reaction	Th(NO3)4:5H2O
+       Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
+        log_k 1.7789
+	-delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O
 #	Enthalpy of formation:	-3007.35 kJ/mol
-        -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001
+        -analytic -1.248e+2 -2.0405e-2 5.1601e+3 4.6613e+1 8.7669e+1
 #       -Range:  0-200
 
 Th(OH)4
-       Th(OH)4 +4.0000 H+  =  + 1.0000 Th++++ + 4.0000 H2O
-        log_k           9.6543
-	-delta_H	-140.336	kJ/mol	# Calculated enthalpy of reaction	Th(OH)4
+       Th(OH)4 + 4 H+ = Th+4 + 4 H2O
+        log_k 9.6543
+	-delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4
 #	Enthalpy of formation:	-423.527 kcal/mol
-        -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002
+        -analytic -1.4031e+2 -9.2493e-3 1.2345e+4 4.499e+1 2.0968e+2
 #       -Range:  0-200
 
 Th(SO4)2
-       Th(SO4)2  =  + 1.0000 Th++++ + 2.0000 SO4--
-        log_k           -20.3006
-	-delta_H	-46.1064	kJ/mol	# Calculated enthalpy of reaction	Th(SO4)2
+       Th(SO4)2 = Th+4 + 2 SO4-2
+        log_k -20.3006
+	-delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
 #	Enthalpy of formation:	-2542.12 kJ/mol
-        -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005
+        -analytic -8.4525e+0 -3.5442e-2 0e+0 0e+0 -1.154e+5
 #       -Range:  0-200
 
 Th2S3
-       Th2S3 +5.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS-
-        log_k           95.2290
-	-delta_H	-783.243	kJ/mol	# Calculated enthalpy of reaction	Th2S3
+       Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
+        log_k 95.229
+	-delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3
 #	Enthalpy of formation:	-1082.89 kJ/mol
-        -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002
+        -analytic -3.2969e+2 -1.109e-1 4.6877e+4 1.2152e+2 7.3157e+2
 #       -Range:  0-300
 
 Th2Se3
-       Th2Se3 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se--
-        log_k           59.1655
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Th2Se3
+       Th2Se3 + 2 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 Se-2
+        log_k 59.1655
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3
 #	Enthalpy of formation:	-224 kcal/mol
-        -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002
+        -analytic -1.0083e+1 6.024e-3 3.4039e+4 -1.8884e+1 5.7804e+2
 #       -Range:  0-200
 
 Th7S12
-       Th7S12 +16.0000 H+ +1.0000 O2  =  + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS-
-        log_k           204.0740
-	-delta_H	-1999.4	kJ/mol	# Calculated enthalpy of reaction	Th7S12
+       Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
+        log_k 204.074
+	-delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12
 #	Enthalpy of formation:	-4136.58 kJ/mol
-        -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003
+        -analytic -2.1309e+2 -1.4149e-1 9.855e+4 5.2042e+1 1.6736e+3
 #       -Range:  0-200
 
 ThBr4
-       ThBr4  =  + 1.0000 Th++++ + 4.0000 Br-
-        log_k           34.0803
-	-delta_H	-290.23	kJ/mol	# Calculated enthalpy of reaction	ThBr4
+       ThBr4 = Th+4 + 4 Br-
+        log_k 34.0803
+	-delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4
 #	Enthalpy of formation:	-964.803 kJ/mol
-        -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002
+        -analytic 2.9902e+1 -3.3109e-2 1.0988e+4 -9.2209e+0 1.8657e+2
 #       -Range:  0-200
 
 ThCl4
-       ThCl4  =  + 1.0000 Th++++ + 4.0000 Cl-
-        log_k           23.8491
-	-delta_H	-251.094	kJ/mol	# Calculated enthalpy of reaction	ThCl4
+       ThCl4 = Th+4 + 4 Cl-
+        log_k 23.8491
+	-delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4
 #	Enthalpy of formation:	-283.519 kcal/mol
-        -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002
+        -analytic -5.934e+0 -4.164e-2 9.8623e+3 3.6804e+0 1.6748e+2
 #       -Range:  0-200
 
 ThF4
-       ThF4  =  + 1.0000 Th++++ + 4.0000 F-
-        log_k           -29.9946
-	-delta_H	-12.6733	kJ/mol	# Calculated enthalpy of reaction	ThF4
+       ThF4 = Th+4 + 4 F-
+        log_k -29.9946
+	-delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4
 #	Enthalpy of formation:	-501.371 kcal/mol
-        -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002
+        -analytic -4.2622e+2 -1.4222e-1 9.4201e+3 1.6446e+2 1.4712e+2
 #       -Range:  0-300
 
 ThF4:2.5H2O
-       ThF4:2.5H2O  =  + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F-
-        log_k           -31.8568
-	-delta_H	22.6696	kJ/mol	# Calculated enthalpy of reaction	ThF4:2.5H2O
+       ThF4:2.5H2O = Th+4 + 2.5 H2O + 4 F-
+        log_k -31.8568
+	-delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O
 #	Enthalpy of formation:	-2847.68 kJ/mol
-        -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000
+        -analytic -1.1284e+2 -4.5422e-2 -2.5781e+2 3.8547e+1 -4.3396e+0
 #       -Range:  0-200
 
 ThI4
-       ThI4  =  + 1.0000 Th++++ + 4.0000 I-
-        log_k           45.1997
-	-delta_H	-332.818	kJ/mol	# Calculated enthalpy of reaction	ThI4
+       ThI4 = Th+4 + 4 I-
+        log_k 45.1997
+	-delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4
 #	Enthalpy of formation:	-663.811 kJ/mol
-        -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002
+        -analytic 1.4224e+0 -4.0379e-2 1.4193e+4 3.3137e+0 2.4102e+2
 #       -Range:  0-200
 
 ThS
-       ThS +3.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++
-        log_k           96.0395
-	-delta_H	-669.906	kJ/mol	# Calculated enthalpy of reaction	ThS
+       ThS + 3 H+ + 0.5 O2 = H2O + HS- + Th+4
+        log_k 96.0395
+	-delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS
 #	Enthalpy of formation:	-394.993 kJ/mol
-        -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000
+        -analytic -1.3919e+1 -1.2372e-2 3.3883e+4 0e+0 0e+0
 #       -Range:  0-200
 
 ThS2
-       ThS2 +2.0000 H+  =  + 1.0000 Th++++ + 2.0000 HS-
-        log_k           10.7872
-	-delta_H	-175.369	kJ/mol	# Calculated enthalpy of reaction	ThS2
+       ThS2 + 2 H+ = Th+4 + 2 HS-
+        log_k 10.7872
+	-delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2
 #	Enthalpy of formation:	-625.867 kJ/mol
-        -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002
+        -analytic -3.7691e+1 -2.3714e-2 8.4673e+3 1.097e+1 1.438e+2
 #       -Range:  0-200
 
 Thenardite
-        Na2SO4  =  + 1.0000 SO4-- + 2.0000 Na+
-        log_k           -0.3091
-	-delta_H	-2.33394	kJ/mol	# Calculated enthalpy of reaction	Thenardite
+        Na2SO4 = SO4-2 + 2 Na+
+        log_k -0.3091
+	-delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite
 #	Enthalpy of formation:	-1387.87 kJ/mol
-        -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001
+        -analytic -2.1202e+2 -7.1613e-2 5.1083e+3 8.7244e+1 7.9773e+1
 #       -Range:  0-300
 
 Thermonatrite
-        Na2CO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+
-        log_k           10.9623
-	-delta_H	-27.5869	kJ/mol	# Calculated enthalpy of reaction	Thermonatrite
+        Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
+        log_k 10.9623
+	-delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite
 #	Enthalpy of formation:	-1428.78 kJ/mol
-        -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001
+        -analytic -1.403e+2 -3.5263e-2 5.784e+3 5.7528e+1 9.0295e+1
 #       -Range:  0-300
 
 Thorianite
-        ThO2 +4.0000 H+  =  + 1.0000 Th++++ + 2.0000 H2O
-        log_k           1.8624
-	-delta_H	-114.296	kJ/mol	# Calculated enthalpy of reaction	Thorianite
+        ThO2 + 4 H+ = Th+4 + 2 H2O
+        log_k 1.8624
+	-delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite
 #	Enthalpy of formation:	-1226.4 kJ/mol
-        -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005
+        -analytic -1.4249e+1 -2.4645e-3 4.311e+3 -1.6605e-2 2.1598e+5
 #       -Range:  0-300
 
 Ti
-       Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4
-        log_k           149.2978
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti
+       Ti + 2 H2O + O2 = Ti(OH)4
+        log_k 149.2978
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ti
 #	Enthalpy of formation:	0 kJ/mol
 
 Ti2O3
-       Ti2O3 +4.0000 H2O +0.5000 O2  =  + 2.0000 Ti(OH)4
-        log_k           42.9866
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti2O3
+       Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
+        log_k 42.9866
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3
 #	Enthalpy of formation:	-1520.78 kJ/mol
 
 Ti3O5
-       Ti3O5 +6.0000 H2O +0.5000 O2  =  + 3.0000 Ti(OH)4
-        log_k           34.6557
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti3O5
+       Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
+        log_k 34.6557
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5
 #	Enthalpy of formation:	-2459.24 kJ/mol
 
 TiB2
-       TiB2 +5.0000 H2O +2.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 B(OH)3
-        log_k           312.4194
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiB2
+       TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
+        log_k 312.4194
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiB2
 #	Enthalpy of formation:	-323.883 kJ/mol
 
 TiBr3
-       TiBr3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+
-        log_k           47.7190
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr3
+       TiBr3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Br- + 3 H+
+        log_k 47.719
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3
 #	Enthalpy of formation:	-548.378 kJ/mol
 
 TiBr4
-       TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+
-        log_k           32.9379
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4
+       TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+
+        log_k 32.9379
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4
 #	Enthalpy of formation:	-616.822 kJ/mol
 
 TiC
-       TiC +3.0000 H2O +2.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4
-        log_k           181.8139
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiC
+       TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
+        log_k 181.8139
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiC
 #	Enthalpy of formation:	-184.346 kJ/mol
 
 TiCl2
-       TiCl2 +3.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+
-        log_k           70.9386
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl2
+       TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
+        log_k 70.9386
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2
 #	Enthalpy of formation:	-514.012 kJ/mol
 
 TiCl3
-       TiCl3 +3.5000 H2O +0.2500 O2  =  + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+
-        log_k           39.3099
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl3
+       TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
+        log_k 39.3099
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3
 #	Enthalpy of formation:	-720.775 kJ/mol
 
 TiF4(am)
-       TiF4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+
-        log_k           -12.4409
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiF4(am)
+       TiF4 + 4 H2O = Ti(OH)4 + 4 F- + 4 H+
+        log_k -12.4409
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am)
 #	Enthalpy of formation:	-1649.44 kJ/mol
 
 TiI4
-       TiI4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I-
-        log_k           34.5968
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiI4
+       TiI4 + 4 H2O = Ti(OH)4 + 4 H+ + 4 I-
+        log_k 34.5968
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiI4
 #	Enthalpy of formation:	-375.555 kJ/mol
 
 TiN
-       TiN +3.5000 H2O +0.2500 O2  =  + 1.0000 NH3 + 1.0000 Ti(OH)4
-        log_k           35.2344
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiN
+       TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
+        log_k 35.2344
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiN
 #	Enthalpy of formation:	-338.304 kJ/mol
 
 TiO(alpha)
-       TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4
-        log_k           61.1282
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(alpha)
+       TiO + 2 H2O + 0.5 O2 = Ti(OH)4
+        log_k 61.1282
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha)
 #	Enthalpy of formation:	-519.835 kJ/mol
 
 Tiemannite
-        HgSe  =  + 1.0000 Hg++ + 1.0000 Se--
-        log_k           -58.2188
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tiemannite
+        HgSe = Hg+2 + Se-2
+        log_k -58.2188
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite
 #	Enthalpy of formation:	-10.4 kcal/mol
-        -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002
+        -analytic -5.7618e+1 -1.3891e-2 -1.3223e+4 1.9351e+1 -2.0632e+2
 #       -Range:  0-300
 
 Titanite
-        CaTiSiO5 +2.0000 H+ +1.0000 H2O  =  + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4
-        log_k           719.5839
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Titanite
+        CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
+        log_k 719.5839
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Titanite
 #	Enthalpy of formation:	0 kcal/mol
 
 Tl
-       Tl +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Tl+
-        log_k           27.1743
-	-delta_H	-134.53	kJ/mol	# Calculated enthalpy of reaction	Tl
+       Tl + H+ + 0.25 O2 = 0.5 H2O + Tl+
+        log_k 27.1743
+	-delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005
+        -analytic -3.7066e+1 -7.8341e-3 9.4594e+3 1.4896e+1 -1.7904e+5
 #       -Range:  0-300
 
 Tm
-       Tm +3.0000 H+ +0.7500 O2  =  + 1.0000 Tm+++ + 1.5000 H2O
-        log_k           181.7102
-	-delta_H	-1124.66	kJ/mol	# Calculated enthalpy of reaction	Tm
+       Tm + 3 H+ + 0.75 O2 = Tm+3 + 1.5 H2O
+        log_k 181.7102
+	-delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003
+        -analytic -6.744e+1 -2.8476e-2 5.9332e+4 2.3715e+1 -5.9611e+3
 #       -Range:  0-300
 
 Tm(OH)3
-       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
-        log_k           14.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3
+       Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O
+        log_k 14.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Tm(OH)3(am)
-       Tm(OH)3 +3.0000 H+  =  + 1.0000 Tm+++ + 3.0000 H2O
-        log_k           17.2852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm(OH)3(am)
+       Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O
+        log_k 17.2852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Tm2(CO3)3
-       Tm2(CO3)3 +3.0000 H+  =  + 2.0000 Tm+++ + 3.0000 HCO3-
-        log_k           -2.4136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2(CO3)3
+       Tm2(CO3)3 + 3 H+ = 2 Tm+3 + 3 HCO3-
+        log_k -2.4136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Tm2O3
-       Tm2O3 +6.0000 H+  =  + 2.0000 Tm+++ + 3.0000 H2O
-        log_k           44.7000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tm2O3
+       Tm2O3 + 6 H+ = 2 Tm+3 + 3 H2O
+        log_k 44.7
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 TmF3:.5H2O
-       TmF3:.5H2O  =  + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F-
-        log_k           -16.2000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmF3:.5H2O
+       TmF3:.5H2O = 0.5 H2O + Tm+3 + 3 F-
+        log_k -16.2
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 TmPO4:10H2O
-       TmPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O
-        log_k           -11.8782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TmPO4:10H2O
+       TmPO4:10H2O + H+ = HPO4-2 + Tm+3 + 10 H2O
+        log_k -11.8782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Tobermorite-11A
-        Ca5Si6H11O22.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O
-        log_k           65.6121
-	-delta_H	-286.861	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-11A
+        Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
+        log_k 65.6121
+	-delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A
 #	Enthalpy of formation:	-2556.42 kcal/mol
-        -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006
+        -analytic 7.9123e+1 3.915e-2 2.9429e+4 -3.9191e+1 -2.4122e+6
 #       -Range:  0-300
 
 Tobermorite-14A
-        Ca5Si6H21O27.5 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O
-        log_k           63.8445
-	-delta_H	-230.959	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-14A
+        Ca5Si6H21O27.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 15.5 H2O
+        log_k 63.8445
+	-delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A
 #	Enthalpy of formation:	-2911.36 kcal/mol
-        -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006
+        -analytic -2.0789e+2 5.2472e-3 3.9698e+4 6.7797e+1 -2.7532e+6
 #       -Range:  0-300
 
 Tobermorite-9A
-        Ca5Si6H6O20 +10.0000 H+  =  + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O
-        log_k           69.0798
-	-delta_H	-329.557	kJ/mol	# Calculated enthalpy of reaction	Tobermorite-9A
+        Ca5Si6H6O20 + 10 H+ = 5 Ca+2 + 6 SiO2 + 8 H2O
+        log_k 69.0798
+	-delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A
 #	Enthalpy of formation:	-2375.42 kcal/mol
-        -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006
+        -analytic -6.3384e+1 1.1722e-2 3.8954e+4 1.2268e+1 -2.8681e+6
 #       -Range:  0-300
 
 Todorokite
-        Mn7O12:3H2O +16.0000 H+  =  + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O
-        log_k           -45.8241
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Todorokite
+        Mn7O12:3H2O + 16 H+ = MnO4-2 + 6 Mn+3 + 11 H2O
+        log_k -45.8241
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite
 #	Enthalpy of formation:	0 kcal/mol
 
 Torbernite
-        Cu(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -20.3225
-	-delta_H	-97.4022	kJ/mol	# Calculated enthalpy of reaction	Torbernite
+        Cu(UO2)2(PO4)2 + 2 H+ = Cu+2 + 2 HPO4-2 + 2 UO2+2
+        log_k -20.3225
+	-delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite
 #	Enthalpy of formation:	-1065.74 kcal/mol
-        -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001
+        -analytic -6.7128e+1 -4.5878e-2 3.5071e+3 1.9682e+1 5.9579e+1
 #       -Range:  0-200
 
 Tremolite
-        Ca2Mg5Si8O22(OH)2 +14.0000 H+  =  + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2
-        log_k           61.2367
-	-delta_H	-406.404	kJ/mol	# Calculated enthalpy of reaction	Tremolite
+        Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
+        log_k 61.2367
+	-delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite
 #	Enthalpy of formation:	-2944.04 kcal/mol
-        -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006
+        -analytic 8.5291e+1 4.6337e-2 3.9465e+4 -5.4414e+1 -3.1913e+6
 #       -Range:  0-300
 
 Trevorite
-        NiFe2O4 +8.0000 H+  =  + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O
-        log_k           9.7876
-	-delta_H	-215.338	kJ/mol	# Calculated enthalpy of reaction	Trevorite
+        NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
+        log_k 9.7876
+	-delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite
 #	Enthalpy of formation:	-1081.15 kJ/mol
-        -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002
+        -analytic -1.4322e+2 -2.9429e-2 1.4518e+4 4.5698e+1 2.4658e+2
 #       -Range:  0-200
 
 Tridymite
-        SiO2  =  + 1.0000 SiO2
-        log_k           -3.8278
-	-delta_H	31.3664	kJ/mol	# Calculated enthalpy of reaction	Tridymite
+        SiO2 = SiO2
+        log_k -3.8278
+	-delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite
 #	Enthalpy of formation:	-909.065 kJ/mol
-        -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002
+        -analytic 3.1594e+2 6.9315e-2 -1.1358e+4 -1.2219e+2 -1.9299e+2
 #       -Range:  0-200
 
 Troilite
-        FeS +1.0000 H+  =  + 1.0000 Fe++ + 1.0000 HS-
-        log_k           -3.8184
-	-delta_H	-7.3296	kJ/mol	# Calculated enthalpy of reaction	Troilite
+        FeS + H+ = Fe+2 + HS-
+        log_k -3.8184
+	-delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite
 #	Enthalpy of formation:	-101.036 kJ/mol
-        -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001
+        -analytic -1.6146e+2 -5.317e-2 4.0461e+3 6.462e+1 6.3183e+1
 #       -Range:  0-300
 
 Trona-K
-        K2NaH(CO3)2:2H2O +1.0000 H+  =  + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+
-        log_k           11.5891
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Trona-K
+        K2NaH(CO3)2:2H2O + H+ = Na+ + 2 H2O + 2 HCO3- + 2 K+
+        log_k 11.5891
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K
 #	Enthalpy of formation:	0 kcal/mol
 
 Tsumebite
-        Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+  =  + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O
-        log_k           2.5318
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tsumebite
+        Pb2Cu(PO4)(OH)3:3H2O + 4 H+ = Cu+2 + HPO4-2 + 2 Pb+2 + 6 H2O
+        log_k 2.5318
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite
 #	Enthalpy of formation:	0 kcal/mol
 
 Tyuyamunite
-        Ca(UO2)2(VO4)2  =  + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4---
-        log_k           -53.3757
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Tyuyamunite
+        Ca(UO2)2(VO4)2 = Ca+2 + 2 UO2+2 + 2 VO4-3
+        log_k -53.3757
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite
 #	Enthalpy of formation:	-1164.52 kcal/mol
 
 U
-       U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           212.7800
-	-delta_H	-1286.64	kJ/mol	# Calculated enthalpy of reaction	U
+       U + 2 H+ + 1.5 O2 = H2O + UO2+2
+        log_k 212.78
+	-delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006
+        -analytic -2.4912e+2 -4.7104e-2 8.1115e+4 8.7008e+1 -1.0158e+6
 #       -Range:  0-300
 
 U(CO3)2
-       U(CO3)2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HCO3-
-        log_k           7.5227
-	-delta_H	-170.691	kJ/mol	# Calculated enthalpy of reaction	U(CO3)2
+       U(CO3)2 + 2 H+ = U+4 + 2 HCO3-
+        log_k 7.5227
+	-delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2
 #	Enthalpy of formation:	-1800.38 kJ/mol
-        -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002
+        -analytic -8.5952e+1 -2.5086e-2 1.0177e+4 2.7002e+1 1.7285e+2
 #       -Range:  0-200
 
 U(HPO4)2:4H2O
-       U(HPO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O
-        log_k           -32.8650
-	-delta_H	16.1008	kJ/mol	# Calculated enthalpy of reaction	U(HPO4)2:4H2O
+       U(HPO4)2:4H2O = U+4 + 2 HPO4-2 + 4 H2O
+        log_k -32.865
+	-delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O
 #	Enthalpy of formation:	-4334.82 kJ/mol
-        -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002
+        -analytic -3.8694e+2 -1.3874e-1 6.4882e+3 1.5099e+2 1.0136e+2
 #       -Range:  0-300
 
 U(OH)2SO4
-       U(OH)2SO4 +2.0000 H+  =  + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O
-        log_k           -3.0731
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	U(OH)2SO4
+       U(OH)2SO4 + 2 H+ = SO4-2 + U+4 + 2 H2O
+        log_k -3.0731
+	-delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4
 #	Enthalpy of formation:	0 kcal/mol
 
 U(SO3)2
-       U(SO3)2  =  + 1.0000 U++++ + 2.0000 SO3--
-        log_k           -36.7499
-	-delta_H	20.7008	kJ/mol	# Calculated enthalpy of reaction	U(SO3)2
+       U(SO3)2 = U+4 + 2 SO3-2
+        log_k -36.7499
+	-delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2
 #	Enthalpy of formation:	-1883 kJ/mol
-        -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002
+        -analytic 5.8113e+1 -2.9981e-2 -7.0503e+3 -2.5175e+1 -1.1974e+2
 #       -Range:  0-200
 
 U(SO4)2
-       U(SO4)2  =  + 1.0000 U++++ + 2.0000 SO4--
-        log_k           -11.5178
-	-delta_H	-100.803	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2
+       U(SO4)2 = U+4 + 2 SO4-2
+        log_k -11.5178
+	-delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2
 #	Enthalpy of formation:	-2309.6 kJ/mol
-        -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001
+        -analytic 3.2215e+1 -2.8662e-2 7.1066e+2 -1.519e+1 1.2057e+1
 #       -Range:  0-200
 
 U(SO4)2:4H2O
-       U(SO4)2:4H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O
-        log_k           -11.5287
-	-delta_H	-70.5565	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:4H2O
+       U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O
+        log_k -11.5287
+	-delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O
 #	Enthalpy of formation:	-3483.2 kJ/mol
-        -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001
+        -analytic -6.9548e+1 -2.9094e-2 3.8763e+3 2.1692e+1 6.5849e+1
 #       -Range:  0-200
 
 U(SO4)2:8H2O
-       U(SO4)2:8H2O  =  + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O
-        log_k           -12.5558
-	-delta_H	-34.5098	kJ/mol	# Calculated enthalpy of reaction	U(SO4)2:8H2O
+       U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O
+        log_k -12.5558
+	-delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O
 #	Enthalpy of formation:	-4662.6 kJ/mol
-        -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002
+        -analytic -1.7141e+2 -2.9548e-2 6.7423e+3 5.8614e+1 1.1455e+2
 #       -Range:  0-200
 
 U2C3
-       U2C3 +4.5000 O2 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HCO3-
-        log_k           455.3078
-	-delta_H	-2810.1	kJ/mol	# Calculated enthalpy of reaction	U2C3
+       U2C3 + 4.5 O2 + 3 H+ = 2 U+3 + 3 HCO3-
+        log_k 455.3078
+	-delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3
 #	Enthalpy of formation:	-183.3 kJ/mol
-        -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006
+        -analytic -3.834e+2 -1.5374e-1 1.5922e+5 1.4643e+2 -1.0584e+6
 #       -Range:  0-300
 
 U2F9
-       U2F9 +2.0000 H2O  =  + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F-
-        log_k           -45.5022
-	-delta_H	-46.8557	kJ/mol	# Calculated enthalpy of reaction	U2F9
+       U2F9 + 2 H2O = U+4 + UO2+ + 4 H+ + 9 F-
+        log_k -45.5022
+	-delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9
 #	Enthalpy of formation:	-4015.92 kJ/mol
-        -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002
+        -analytic -8.8191e+2 -3.0477e-1 2.0493e+4 3.469e+2 3.2003e+2
 #       -Range:  0-300
 
 U2O2Cl5
-       U2O2Cl5  =  + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl-
-        log_k           19.2752
-	-delta_H	-254.325	kJ/mol	# Calculated enthalpy of reaction	U2O2Cl5
+       U2O2Cl5 = U+4 + UO2+ + 5 Cl-
+        log_k 19.2752
+	-delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5
 #	Enthalpy of formation:	-2197.4 kJ/mol
-        -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002
+        -analytic -4.3945e+2 -1.6239e-1 2.1694e+4 1.7551e+2 3.3865e+2
 #       -Range:  0-300
 
 U2O3F6
-       U2O3F6 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F-
-        log_k           -2.5066
-	-delta_H	-185.047	kJ/mol	# Calculated enthalpy of reaction	U2O3F6
+       U2O3F6 + H2O = 2 H+ + 2 UO2+2 + 6 F-
+        log_k -2.5066
+	-delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6
 #	Enthalpy of formation:	-3579.2 kJ/mol
-        -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001
+        -analytic -3.2332e+1 -5.9519e-2 5.7857e+3 1.1372e+1 9.826e+1
 #       -Range:  0-200
 
 U2S3
-       U2S3 +3.0000 H+  =  + 2.0000 U+++ + 3.0000 HS-
-        log_k           6.5279
-	-delta_H	-147.525	kJ/mol	# Calculated enthalpy of reaction	U2S3
+       U2S3 + 3 H+ = 2 U+3 + 3 HS-
+        log_k 6.5279
+	-delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3
 #	Enthalpy of formation:	-879 kJ/mol
-        -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002
+        -analytic -3.0494e+2 -1.0983e-1 1.3647e+4 1.2059e+2 2.1304e+2
 #       -Range:  0-300
 
 U2Se3
-       U2Se3 +4.5000 O2  =  + 2.0000 U+++ + 3.0000 SeO3--
-        log_k           248.0372
-	-delta_H	-1740.18	kJ/mol	# Calculated enthalpy of reaction	U2Se3
+       U2Se3 + 4.5 O2 = 2 U+3 + 3 SeO3-2
+        log_k 248.0372
+	-delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3
 #	Enthalpy of formation:	-711 kJ/mol
-        -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003
+        -analytic 4.9999e+2 -1.6488e-2 6.4991e+4 -1.8795e+2 1.1035e+3
 #       -Range:  0-200
 
 U3As4
-       U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 H2AsO3-
-        log_k           487.6802
-	-delta_H	-3114.02	kJ/mol	# Calculated enthalpy of reaction	U3As4
+       U3As4 + 5.25 O2 + 5 H+ + 1.5 H2O = 3 U+3 + 4 H2AsO3-
+        log_k 487.6802
+	-delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4
 #	Enthalpy of formation:	-720 kJ/mol
-        -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006
+        -analytic -9.0215e+2 -2.5804e-1 1.9974e+5 3.3331e+2 -2.4911e+6
 #       -Range:  0-300
 
 U3O5F8
-       U3O5F8 +1.0000 H2O  =  + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F-
-        log_k           -2.7436
-	-delta_H	-260.992	kJ/mol	# Calculated enthalpy of reaction	U3O5F8
+       U3O5F8 + H2O = 2 H+ + 3 UO2+2 + 8 F-
+        log_k -2.7436
+	-delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8
 #	Enthalpy of formation:	-5192.95 kJ/mol
-        -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002
+        -analytic -7.7653e+2 -2.7294e-1 2.918e+4 3.0599e+2 4.5556e+2
 #       -Range:  0-300
 
 U3P4
-       U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+  =  + 3.0000 U+++ + 4.0000 HPO4--
-        log_k           827.5586
-	-delta_H	-5275.9	kJ/mol	# Calculated enthalpy of reaction	U3P4
+       U3P4 + 7.25 O2 + 1.5 H2O + H+ = 3 U+3 + 4 HPO4-2
+        log_k 827.5586
+	-delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4
 #	Enthalpy of formation:	-843 kJ/mol
-        -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006
+        -analytic -2.7243e+3 -6.2927e-1 4.013e+5 1.0021e+3 -7.672e+6
 #       -Range:  0-300
 
 U3S5
-       U3S5 +5.0000 H+  =  + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS-
-        log_k           -0.3680
-	-delta_H	-218.942	kJ/mol	# Calculated enthalpy of reaction	U3S5
+       U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
+        log_k -0.368
+	-delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5
 #	Enthalpy of formation:	-1431 kJ/mol
-        -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002
+        -analytic -1.1011e+2 -6.7959e-2 1.0369e+4 3.8481e+1 1.7611e+2
 #       -Range:  0-200
 
 U3Sb4
-       U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O  =  + 3.0000 U+++ + 4.0000 Sb(OH)3
-        log_k           575.0349
-	-delta_H	-3618.1	kJ/mol	# Calculated enthalpy of reaction	U3Sb4
+       U3Sb4 + 9 H+ + 5.25 O2 + 1.5 H2O = 3 U+3 + 4 Sb(OH)3
+        log_k 575.0349
+	-delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4
 #	Enthalpy of formation:	-451.9 kJ/mol
 
 U3Se4
-       U3Se4 +6.2500 O2 +1.0000 H+  =  + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3--
-        log_k           375.2823
-	-delta_H	-2588.16	kJ/mol	# Calculated enthalpy of reaction	U3Se4
+       U3Se4 + 6.25 O2 + H+ = 0.5 H2O + 3 U+3 + 4 SeO3-2
+        log_k 375.2823
+	-delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4
 #	Enthalpy of formation:	-983 kJ/mol
-        -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003
+        -analytic 6.7219e+2 -2.2708e-2 1.0025e+5 -2.5317e+2 1.7021e+3
 #       -Range:  0-200
 
 U3Se5
-       U3Se5 +7.2500 O2 +0.5000 H2O  =  + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3--
-        log_k           376.5747
-	-delta_H	-2652.38	kJ/mol	# Calculated enthalpy of reaction	U3Se5
+       U3Se5 + 7.25 O2 + 0.5 H2O = H+ + 3 U+3 + 5 SeO3-2
+        log_k 376.5747
+	-delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5
 #	Enthalpy of formation:	-1130 kJ/mol
-        -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003
+        -analytic 8.3306e+2 -2.6526e-2 9.5737e+4 -3.1109e+2 1.6255e+3
 #       -Range:  0-200
 
 U4F17
-       U4F17 +2.0000 H2O  =  + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F-
-        log_k           -104.7657
-	-delta_H	-78.2955	kJ/mol	# Calculated enthalpy of reaction	U4F17
+       U4F17 + 2 H2O = UO2+ + 3 U+4 + 4 H+ + 17 F-
+        log_k -104.7657
+	-delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17
 #	Enthalpy of formation:	-7849.66 kJ/mol
-        -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002
+        -analytic -1.7466e+3 -5.9186e-1 4.0017e+4 6.8046e+2 6.2494e+2
 #       -Range:  0-300
 
 U5O12Cl
-       U5O12Cl +4.0000 H+  =  + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+
-        log_k           -18.7797
-	-delta_H	-9.99133	kJ/mol	# Calculated enthalpy of reaction	U5O12Cl
+       U5O12Cl + 4 H+ = Cl- + 2 H2O + 5 UO2+
+        log_k -18.7797
+	-delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl
 #	Enthalpy of formation:	-5854.4 kJ/mol
-        -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001
+        -analytic -7.3802e+1 2.918e-2 4.6804e+3 1.2371e+1 7.9503e+1
 #       -Range:  0-200
 
 UAs
-       UAs +2.0000 H+ +1.5000 O2  =  + 1.0000 H2AsO3- + 1.0000 U+++
-        log_k           149.0053
-	-delta_H	-951.394	kJ/mol	# Calculated enthalpy of reaction	UAs
+       UAs + 2 H+ + 1.5 O2 = H2AsO3- + U+3
+        log_k 149.0053
+	-delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs
 #	Enthalpy of formation:	-234.3 kJ/mol
-        -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002
+        -analytic -5.0217e+1 -4.2992e-2 4.848e+4 1.9964e+1 7.565e+2
 #       -Range:  0-300
 
 UAs2
-       UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+  =  + 1.0000 U+++ + 2.0000 H2AsO3-
-        log_k           189.1058
-	-delta_H	-1210.63	kJ/mol	# Calculated enthalpy of reaction	UAs2
+       UAs2 + 2.25 O2 + 1.5 H2O + H+ = U+3 + 2 H2AsO3-
+        log_k 189.1058
+	-delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2
 #	Enthalpy of formation:	-252 kJ/mol
-        -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002
+        -analytic -8.7361e+1 -7.5252e-2 6.1445e+4 3.7485e+1 9.5881e+2
 #       -Range:  0-300
 
 UBr2Cl
-       UBr2Cl  =  + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br-
-        log_k           17.7796
-	-delta_H	-148.586	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl
+       UBr2Cl = Cl- + U+3 + 2 Br-
+        log_k 17.7796
+	-delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl
 #	Enthalpy of formation:	-750.6 kJ/mol
-        -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001
+        -analytic 3.0364e+0 -3.2187e-2 5.2314e+3 2.7418e+0 8.8836e+1
 #       -Range:  0-200
 
 UBr2Cl2
-       UBr2Cl2  =  + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl-
-        log_k           26.2185
-	-delta_H	-260.466	kJ/mol	# Calculated enthalpy of reaction	UBr2Cl2
+       UBr2Cl2 = U+4 + 2 Br- + 2 Cl-
+        log_k 26.2185
+	-delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2
 #	Enthalpy of formation:	-907.9 kJ/mol
-        -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000
+        -analytic 3.8089e+0 -3.8781e-2 1.0125e+4 0e+0 0e+0
 #       -Range:  0-200
 
 UBr3
-       UBr3  =  + 1.0000 U+++ + 3.0000 Br-
-        log_k           20.2249
-	-delta_H	-154.91	kJ/mol	# Calculated enthalpy of reaction	UBr3
+       UBr3 = U+3 + 3 Br-
+        log_k 20.2249
+	-delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3
 #	Enthalpy of formation:	-698.7 kJ/mol
-        -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002
+        -analytic -2.4366e+2 -9.8651e-2 1.2538e+4 1.0151e+2 1.9572e+2
 #       -Range:  0-300
 
 UBr3Cl
-       UBr3Cl  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br-
-        log_k           29.1178
-	-delta_H	-270.49	kJ/mol	# Calculated enthalpy of reaction	UBr3Cl
+       UBr3Cl = Cl- + U+4 + 3 Br-
+        log_k 29.1178
+	-delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl
 #	Enthalpy of formation:	-852.3 kJ/mol
-        -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002
+        -analytic 1.1204e+1 -3.7109e-2 1.0473e+4 -2.4905e+0 1.7784e+2
 #       -Range:  0-200
 
 UBr4
-       UBr4  =  + 1.0000 U++++ + 4.0000 Br-
-        log_k           31.2904
-	-delta_H	-275.113	kJ/mol	# Calculated enthalpy of reaction	UBr4
+       UBr4 = U+4 + 4 Br-
+        log_k 31.2904
+	-delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4
 #	Enthalpy of formation:	-802.1 kJ/mol
-        -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002
+        -analytic -3.38e+2 -1.294e-1 2.0674e+4 1.3678e+2 3.227e+2
 #       -Range:  0-300
 
 UBr5
-       UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br-
-        log_k           41.6312
-	-delta_H	-250.567	kJ/mol	# Calculated enthalpy of reaction	UBr5
+       UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br-
+        log_k 41.6312
+	-delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5
 #	Enthalpy of formation:	-810.4 kJ/mol
-        -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002
+        -analytic -3.2773e+2 -1.4356e-1 1.8709e+4 1.4117e+2 2.9204e+2
 #       -Range:  0-300
 
 UBrCl2
-       UBrCl2  =  + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl-
-        log_k           14.5048
-	-delta_H	-132.663	kJ/mol	# Calculated enthalpy of reaction	UBrCl2
+       UBrCl2 = Br- + U+3 + 2 Cl-
+        log_k 14.5048
+	-delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2
 #	Enthalpy of formation:	-812.1 kJ/mol
-        -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001
+        -analytic -5.3713e+0 -3.4256e-2 4.6251e+3 5.8875e+0 7.8542e+1
 #       -Range:  0-200
 
 UBrCl3
-       UBrCl3  =  + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           23.5258
-	-delta_H	-246.642	kJ/mol	# Calculated enthalpy of reaction	UBrCl3
+       UBrCl3 = Br- + U+4 + 3 Cl-
+        log_k 23.5258
+	-delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3
 #	Enthalpy of formation:	-967.3 kJ/mol
-        -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002
+        -analytic -5.6867e+0 -4.1166e-2 9.6664e+3 3.6579e+0 1.6415e+2
 #       -Range:  0-200
 
 UC
-       UC +2.0000 H+ +1.7500 O2  =  + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++
-        log_k           194.8241
-	-delta_H	-1202.82	kJ/mol	# Calculated enthalpy of reaction	UC
+       UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
+        log_k 194.8241
+	-delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC
 #	Enthalpy of formation:	-97.9 kJ/mol
-        -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002
+        -analytic -4.6329e+1 -4.46e-2 6.1417e+4 1.9566e+1 9.5836e+2
 #       -Range:  0-300
 
 UC1.94(alpha)
-       UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O  =  + 1.0000 U+++ + 1.9400 HCO3-
-        log_k           257.1619
-	-delta_H	-1583.84	kJ/mol	# Calculated enthalpy of reaction	UC1.94(alpha)
+       UC1.94 + 2.69 O2 + 1.06 H+ + 0.44 H2O = U+3 + 1.94 HCO3-
+        log_k 257.1619
+	-delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha)
 #	Enthalpy of formation:	-85.324 kJ/mol
-        -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006
+        -analytic -5.8194e+2 -1.461e-1 1.0917e+5 2.1638e+2 -1.6852e+6
 #       -Range:  0-300
 
 UCl2F2
-       UCl2F2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F-
-        log_k           -3.5085
-	-delta_H	-130.055	kJ/mol	# Calculated enthalpy of reaction	UCl2F2
+       UCl2F2 = U+4 + 2 Cl- + 2 F-
+        log_k -3.5085
+	-delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2
 #	Enthalpy of formation:	-1466 kJ/mol
-        -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002
+        -analytic -3.9662e+2 -1.3879e-1 1.471e+4 1.5562e+2 2.2965e+2
 #       -Range:  0-300
 
 UCl2I2
-       UCl2I2  =  + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I-
-        log_k           30.2962
-	-delta_H	-270.364	kJ/mol	# Calculated enthalpy of reaction	UCl2I2
+       UCl2I2 = U+4 + 2 Cl- + 2 I-
+        log_k 30.2962
+	-delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2
 #	Enthalpy of formation:	-768.8 kJ/mol
-        -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002
+        -analytic -1.2922e+1 -4.3178e-2 1.1219e+4 7.4562e+0 1.9052e+2
 #       -Range:  0-200
 
 UCl3
-       UCl3  =  + 1.0000 U+++ + 3.0000 Cl-
-        log_k           13.0062
-	-delta_H	-126.639	kJ/mol	# Calculated enthalpy of reaction	UCl3
+       UCl3 = U+3 + 3 Cl-
+        log_k 13.0062
+	-delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3
 #	Enthalpy of formation:	-863.7 kJ/mol
-        -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002
+        -analytic -2.6388e+2 -1.0241e-1 1.1629e+4 1.0846e+2 1.8155e+2
 #       -Range:  0-300
 
 UCl3F
-       UCl3F  =  + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           10.3200
-	-delta_H	-184.787	kJ/mol	# Calculated enthalpy of reaction	UCl3F
+       UCl3F = F- + U+4 + 3 Cl-
+        log_k 10.32
+	-delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F
 #	Enthalpy of formation:	-1243 kJ/mol
-        -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002
+        -analytic -3.7971e+2 -1.3681e-1 1.7127e+4 1.5086e+2 2.6736e+2
 #       -Range:  0-300
 
 UCl3I
-       UCl3I  =  + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl-
-        log_k           25.5388
-	-delta_H	-251.041	kJ/mol	# Calculated enthalpy of reaction	UCl3I
+       UCl3I = I- + U+4 + 3 Cl-
+        log_k 25.5388
+	-delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I
 #	Enthalpy of formation:	-898.3 kJ/mol
-        -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002
+        -analytic -1.3362e+1 -4.3214e-2 1.0167e+4 7.1426e+0 1.7265e+2
 #       -Range:  0-200
 
 UCl4
-       UCl4  =  + 1.0000 U++++ + 4.0000 Cl-
-        log_k           21.9769
-	-delta_H	-240.719	kJ/mol	# Calculated enthalpy of reaction	UCl4
+       UCl4 = U+4 + 4 Cl-
+        log_k 21.9769
+	-delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4
 #	Enthalpy of formation:	-1018.8 kJ/mol
-        -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002
+        -analytic -3.6881e+2 -1.3618e-1 1.9685e+4 1.4763e+2 3.0727e+2
 #       -Range:  0-300
 
 UCl5
-       UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl-
-        log_k           37.3147
-	-delta_H	-249.849	kJ/mol	# Calculated enthalpy of reaction	UCl5
+       UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl-
+        log_k 37.3147
+	-delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5
 #	Enthalpy of formation:	-1039 kJ/mol
-        -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002
+        -analytic -3.6392e+2 -1.5133e-1 1.9617e+4 1.5376e+2 3.0622e+2
 #       -Range:  0-300
 
 UCl6
-       UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl-
-        log_k           57.5888
-	-delta_H	-383.301	kJ/mol	# Calculated enthalpy of reaction	UCl6
+       UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
+        log_k 57.5888
+	-delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6
 #	Enthalpy of formation:	-1066.5 kJ/mol
-        -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002
+        -analytic -4.5589e+2 -1.9203e-1 2.8029e+4 1.9262e+2 4.375e+2
 #       -Range:  0-300
 
 UClF3
-       UClF3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F-
-        log_k           -17.5122
-	-delta_H	-74.3225	kJ/mol	# Calculated enthalpy of reaction	UClF3
+       UClF3 = Cl- + U+4 + 3 F-
+        log_k -17.5122
+	-delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3
 #	Enthalpy of formation:	-1690 kJ/mol
-        -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002
+        -analytic -4.1346e+2 -1.4077e-1 1.2237e+4 1.6036e+2 1.9107e+2
 #       -Range:  0-300
 
 UClI3
-       UClI3  =  + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I-
-        log_k           35.2367
-	-delta_H	-285.187	kJ/mol	# Calculated enthalpy of reaction	UClI3
+       UClI3 = Cl- + U+4 + 3 I-
+        log_k 35.2367
+	-delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3
 #	Enthalpy of formation:	-643.8 kJ/mol
-        -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002
+        -analytic -1.1799e+1 -4.3208e-2 1.2045e+4 7.8829e+0 2.0455e+2
 #       -Range:  0-200
 
 UF3
-       UF3  =  + 1.0000 U+++ + 3.0000 F-
-        log_k           -19.4125
-	-delta_H	6.2572	kJ/mol	# Calculated enthalpy of reaction	UF3
+       UF3 = U+3 + 3 F-
+        log_k -19.4125
+	-delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3
 #	Enthalpy of formation:	-1501.4 kJ/mol
-        -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001
+        -analytic -3.153e+2 -1.0945e-1 6.1335e+3 1.2443e+2 9.5799e+1
 #       -Range:  0-300
 
 UF4
-       UF4  =  + 1.0000 U++++ + 4.0000 F-
-        log_k           -29.2004
-	-delta_H	-18.3904	kJ/mol	# Calculated enthalpy of reaction	UF4
+       UF4 = U+4 + 4 F-
+        log_k -29.2004
+	-delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4
 #	Enthalpy of formation:	-1914.2 kJ/mol
-        -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002
+        -analytic -4.2411e+2 -1.4147e-1 9.6621e+3 1.6352e+2 1.5089e+2
 #       -Range:  0-300
 
 UF4:2.5H2O
-       UF4:2.5H2O  =  + 1.0000 U++++ + 2.5000 H2O + 4.0000 F-
-        log_k           -33.3685
-	-delta_H	24.2888	kJ/mol	# Calculated enthalpy of reaction	UF4:2.5H2O
+       UF4:2.5H2O = U+4 + 2.5 H2O + 4 F-
+        log_k -33.3685
+	-delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O
 #	Enthalpy of formation:	-2671.47 kJ/mol
-        -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002
+        -analytic -4.4218e+2 -1.4305e-1 8.2922e+3 1.7118e+2 1.2952e+2
 #       -Range:  0-300
 
 UF5(alpha)
-       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
-        log_k           -12.8376
-	-delta_H	-54.8883	kJ/mol	# Calculated enthalpy of reaction	UF5(alpha)
+       UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
+        log_k -12.8376
+	-delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha)
 #	Enthalpy of formation:	-2075.3 kJ/mol
-        -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002
+        -analytic -4.5126e+2 -1.6121e-1 1.1997e+4 1.803e+2 1.8733e+2
 #       -Range:  0-300
 
 UF5(beta)
-       UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F-
-        log_k           -13.1718
-	-delta_H	-46.9883	kJ/mol	# Calculated enthalpy of reaction	UF5(beta)
+       UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
+        log_k -13.1718
+	-delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta)
 #	Enthalpy of formation:	-2083.2 kJ/mol
-        -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002
+        -analytic -4.502e+2 -1.6121e-1 1.1584e+4 1.803e+2 1.8089e+2
 #       -Range:  0-300
 
 UF6
-       UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F-
-        log_k           17.4292
-	-delta_H	-261.709	kJ/mol	# Calculated enthalpy of reaction	UF6
+       UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F-
+        log_k 17.4292
+	-delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6
 #	Enthalpy of formation:	-2197.7 kJ/mol
-        -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002
+        -analytic -5.8427e+2 -2.1223e-1 2.5296e+4 2.344e+2 3.9489e+2
 #       -Range:  0-300
 
 UH3(beta)
-       UH3 +3.0000 H+ +1.5000 O2  =  + 1.0000 U+++ + 3.0000 H2O
-        log_k           199.7683
-	-delta_H	-1201.43	kJ/mol	# Calculated enthalpy of reaction	UH3(beta)
+       UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
+        log_k 199.7683
+	-delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta)
 #	Enthalpy of formation:	-126.98 kJ/mol
-        -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003
+        -analytic 5.287e+1 4.2151e-3 6.0167e+4 -2.2701e+1 1.0217e+3
 #       -Range:  0-200
 
 UI3
-       UI3  =  + 1.0000 U+++ + 3.0000 I-
-        log_k           29.0157
-	-delta_H	-192.407	kJ/mol	# Calculated enthalpy of reaction	UI3
+       UI3 = U+3 + 3 I-
+        log_k 29.0157
+	-delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3
 #	Enthalpy of formation:	-467.4 kJ/mol
-        -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002
+        -analytic -2.4505e+2 -9.9867e-2 1.4579e+4 1.0301e+2 2.2757e+2
 #       -Range:  0-300
 
 UI4
-       UI4  =  + 1.0000 U++++ + 4.0000 I-
-        log_k           39.3102
-	-delta_H	-300.01	kJ/mol	# Calculated enthalpy of reaction	UI4
+       UI4 = U+4 + 4 I-
+        log_k 39.3102
+	-delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4
 #	Enthalpy of formation:	-518.8 kJ/mol
-        -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002
+        -analytic -3.4618e+2 -1.3227e-1 2.232e+4 1.4145e+2 3.4839e+2
 #       -Range:  0-300
 
 UN
-       UN +3.0000 H+  =  + 1.0000 NH3 + 1.0000 U+++
-        log_k           41.7130
-	-delta_H	-280.437	kJ/mol	# Calculated enthalpy of reaction	UN
+       UN + 3 H+ = NH3 + U+3
+        log_k 41.713
+	-delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN
 #	Enthalpy of formation:	-290 kJ/mol
-        -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006
+        -analytic -1.6393e+2 -1.1679e-3 2.8845e+3 6.5637e+1 3.0122e+6
 #       -Range:  0-300
 
 UN1.59(alpha)
-       UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2  =  + 1.0000 UO2+ + 1.5900 NH3
-        log_k           38.3930
-	-delta_H	-235.75	kJ/mol	# Calculated enthalpy of reaction	UN1.59(alpha)
+       UN1.59 + 1.885 H2O + H+ + 0.0575 O2 = UO2+ + 1.59 NH3
+        log_k 38.393
+	-delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha)
 #	Enthalpy of formation:	-379.2 kJ/mol
-        -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002
+        -analytic 1.8304e+1 1.1109e-2 1.2064e+4 -9.5741e+0 2.0485e+2
 #       -Range:  0-200
 
 UN1.73(alpha)
-       UN1.73 +2.0950 H2O +1.0000 H+  =  + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3
-        log_k           27.2932
-	-delta_H	-169.085	kJ/mol	# Calculated enthalpy of reaction	UN1.73(alpha)
+       UN1.73 + 2.095 H2O + H+ = 0.0475 O2 + UO2+ + 1.73 NH3
+        log_k 27.2932
+	-delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha)
 #	Enthalpy of formation:	-398.5 kJ/mol
-        -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002
+        -analytic 1.0012e+1 1.0398e-2 8.9348e+3 -6.3817e+0 1.5172e+2
 #       -Range:  0-200
 
 UO2(AsO3)2
-       UO2(AsO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H2AsO4-
-        log_k           6.9377
-	-delta_H	-109.843	kJ/mol	# Calculated enthalpy of reaction	UO2(AsO3)2
+       UO2(AsO3)2 + 2 H2O = UO2+2 + 2 H2AsO4-
+        log_k 6.9377
+	-delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2
 #	Enthalpy of formation:	-2156.6 kJ/mol
-        -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002
+        -analytic -1.605e+2 -6.6472e-2 8.2129e+3 6.4533e+1 1.282e+2
 #       -Range:  0-300
 
 UO2(IO3)2
-       UO2(IO3)2  =  + 1.0000 UO2++ + 2.0000 IO3-
-        log_k           -7.2871
-	-delta_H	-0.3862	kJ/mol	# Calculated enthalpy of reaction	UO2(IO3)2
+       UO2(IO3)2 = UO2+2 + 2 IO3-
+        log_k -7.2871
+	-delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2
 #	Enthalpy of formation:	-1461.28 kJ/mol
-        -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001
+        -analytic -2.7047e+1 -1.4267e-2 -1.5055e+1 9.7226e+0 -2.464e-1
 #       -Range:  0-200
 
 UO2(NO3)2
-       UO2(NO3)2  =  + 1.0000 UO2++ + 2.0000 NO3-
-        log_k           11.9598
-	-delta_H	-81.6219	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2
+       UO2(NO3)2 = UO2+2 + 2 NO3-
+        log_k 11.9598
+	-delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2
 #	Enthalpy of formation:	-1351 kJ/mol
-        -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001
+        -analytic -1.2216e+1 -1.1261e-2 3.9895e+3 5.7166e+0 6.7751e+1
 #       -Range:  0-200
 
 UO2(NO3)2:2H2O
-       UO2(NO3)2:2H2O  =  + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3-
-        log_k           4.9446
-	-delta_H	-25.5995	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:2H2O
+       UO2(NO3)2:2H2O = UO2+2 + 2 H2O + 2 NO3-
+        log_k 4.9446
+	-delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O
 #	Enthalpy of formation:	-1978.7 kJ/mol
-        -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001
+        -analytic -1.3989e+2 -5.213e-2 4.3758e+3 5.8868e+1 6.8322e+1
 #       -Range:  0-300
 
 UO2(NO3)2:3H2O
-       UO2(NO3)2:3H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O
-        log_k           3.7161
-	-delta_H	-9.73686	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:3H2O
+       UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O
+        log_k 3.7161
+	-delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O
 #	Enthalpy of formation:	-2280.4 kJ/mol
-        -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001
+        -analytic -1.5037e+2 -5.2234e-2 4.0783e+3 6.3024e+1 6.3682e+1
 #       -Range:  0-300
 
 UO2(NO3)2:6H2O
-       UO2(NO3)2:6H2O  =  + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O
-        log_k           2.3189
-	-delta_H	19.8482	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:6H2O
+       UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+        log_k 2.3189
+	-delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O
 #	Enthalpy of formation:	-3167.5 kJ/mol
-        -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001
+        -analytic -1.4019e+2 -4.3682e-2 2.7842e+3 5.907e+1 4.3486e+1
 #       -Range:  0-300
 
 UO2(NO3)2:H2O
-       UO2(NO3)2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3-
-        log_k           8.5103
-	-delta_H	-54.4602	kJ/mol	# Calculated enthalpy of reaction	UO2(NO3)2:H2O
+       UO2(NO3)2:H2O = H2O + UO2+2 + 2 NO3-
+        log_k 8.5103
+	-delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O
 #	Enthalpy of formation:	-1664 kJ/mol
-        -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001
+        -analytic -3.7575e+1 -1.1342e-2 3.7548e+3 1.4899e+1 6.3776e+1
 #       -Range:  0-200
 
 UO2(OH)2(beta)
-       UO2(OH)2 +2.0000 H+  =  + 1.0000 UO2++ + 2.0000 H2O
-        log_k           4.9457
-	-delta_H	-56.8767	kJ/mol	# Calculated enthalpy of reaction	UO2(OH)2(beta)
+       UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+        log_k 4.9457
+	-delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta)
 #	Enthalpy of formation:	-1533.8 kJ/mol
-        -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001
+        -analytic -1.7478e+1 -1.6806e-3 3.4226e+3 4.626e+0 5.3412e+1
 #       -Range:  0-300
 
 UO2(PO3)2
-       UO2(PO3)2 +2.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4--
-        log_k           -16.2805
-	-delta_H	-58.4873	kJ/mol	# Calculated enthalpy of reaction	UO2(PO3)2
+       UO2(PO3)2 + 2 H2O = UO2+2 + 2 H+ + 2 HPO4-2
+        log_k -16.2805
+	-delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2
 #	Enthalpy of formation:	-2973 kJ/mol
-        -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002
+        -analytic -3.2995e+2 -1.3747e-1 8.0652e+3 1.3237e+2 1.2595e+2
 #       -Range:  0-300
 
 UO2(am)
-       UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
-        log_k           0.1091
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2(am)
+       UO2 + 4 H+ = U+4 + 2 H2O
+        log_k 0.1091
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 UO2.25
-       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
-        log_k           -4.8193
-	-delta_H	-37.1614	kJ/mol	# Calculated enthalpy of reaction	UO2.25
+       UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O
+        log_k -4.8193
+	-delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25
 #	Enthalpy of formation:	-1128.3 kJ/mol
-        -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002
+        -analytic -1.9073e+2 -4.1793e-2 7.3391e+3 7.0213e+1 1.1457e+2
 #       -Range:  0-300
 
 UO2.25(beta)
-       UO2.25 +2.5000 H+  =  + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O
-        log_k           -4.7593
-	-delta_H	-38.0614	kJ/mol	# Calculated enthalpy of reaction	UO2.25(beta)
+       UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O
+        log_k -4.7593
+	-delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta)
 #	Enthalpy of formation:	-1127.4 kJ/mol
-        -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001
+        -analytic -3.6654e+1 -2.4013e-3 2.9632e+3 9.1625e+0 4.6249e+1
 #       -Range:  0-300
 
 UO2.3333(beta)
 #       UO2.3333 +8.0000 H+  =  + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
-       (UO2.3333)2 + 8.0000 H+  =  0.3333 O2 + 2.0000 U++++ + 4.0000 H2O 
-        log_k           -27.7177
-	-delta_H	-1187.8	kJ/mol	# Calculated enthalpy of reaction	UO2.3333(beta)
+       (UO2.3333)2 + 8 H+ = 0.3333 O2 + 2 U+4 + 4 H2O
+        log_k -27.7177
+	-delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta)
 #	Enthalpy of formation:	-1142 kJ/mol
-        -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005
+        -analytic -7.479e+0 -6.8382e-4 -2.7277e+3 -7.2107e+0 6.1873e+5
 #       -Range:  0-300
 
 UO2.6667
 #       UO2.6667 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
-       (UO2.6667)2 +8.0000 H+  =  + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O 
-        log_k           -43.6051
-	-delta_H	-1142.24	kJ/mol	# Calculated enthalpy of reaction	UO2.6667
+       (UO2.6667)2 + 8 H+ = 0.6667 O2 + 2 U+4 + 4 H2O
+        log_k -43.6051
+	-delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667
 #	Enthalpy of formation:	-1191.6 kJ/mol
-        -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006
+        -analytic 1.2095e+2 2.0118e-2 -1.4968e+4 -5.3552e+1 1.0813e+6
 #       -Range:  0-300
 
 UO2Br2
-       UO2Br2  =  + 1.0000 UO2++ + 2.0000 Br-
-        log_k           16.5103
-	-delta_H	-124.607	kJ/mol	# Calculated enthalpy of reaction	UO2Br2
+       UO2Br2 = UO2+2 + 2 Br-
+        log_k 16.5103
+	-delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2
 #	Enthalpy of formation:	-1137.4 kJ/mol
-        -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002
+        -analytic -1.4876e+2 -6.2715e-2 9.02e+3 6.2108e+1 1.4079e+2
 #       -Range:  0-300
 
 UO2Br2:3H2O
-       UO2Br2:3H2O  =  + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O
-        log_k           9.4113
-	-delta_H	-61.5217	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:3H2O
+       UO2Br2:3H2O = UO2+2 + 2 Br- + 3 H2O
+        log_k 9.4113
+	-delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O
 #	Enthalpy of formation:	-2058 kJ/mol
-        -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001
+        -analytic -6.8507e+1 -1.6834e-2 5.1409e+3 2.6546e+1 8.7324e+1
 #       -Range:  0-200
 
 UO2Br2:H2O
-       UO2Br2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br-
-        log_k           12.1233
-	-delta_H	-91.945	kJ/mol	# Calculated enthalpy of reaction	UO2Br2:H2O
+       UO2Br2:H2O = H2O + UO2+2 + 2 Br-
+        log_k 12.1233
+	-delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O
 #	Enthalpy of formation:	-1455.9 kJ/mol
-        -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001
+        -analytic -1.7519e+1 -1.6603e-2 4.3544e+3 8.0748e+0 7.395e+1
 #       -Range:  0-200
 
 UO2BrOH:2H2O
-       UO2BrOH:2H2O +1.0000 H+  =  + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.2026
-	-delta_H	-39.8183	kJ/mol	# Calculated enthalpy of reaction	UO2BrOH:2H2O
+       UO2BrOH:2H2O + H+ = Br- + UO2+2 + 3 H2O
+        log_k 4.2026
+	-delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O
 #	Enthalpy of formation:	-1958.2 kJ/mol
-        -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001
+        -analytic -8.3411e+1 -1.0024e-2 5.0411e+3 2.9781e+1 8.5633e+1
 #       -Range:  0-200
 
 UO2CO3
-       UO2CO3 +1.0000 H+  =  + 1.0000 HCO3- + 1.0000 UO2++
-        log_k           -4.1267
-	-delta_H	-19.2872	kJ/mol	# Calculated enthalpy of reaction	UO2CO3
+       UO2CO3 + H+ = HCO3- + UO2+2
+        log_k -4.1267
+	-delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3
 #	Enthalpy of formation:	-1689.65 kJ/mol
-        -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001
+        -analytic -4.4869e+1 -1.1541e-2 1.9475e+3 1.5215e+1 3.3086e+1
 #       -Range:  0-200
 
 UO2Cl
-       UO2Cl  =  + 1.0000 Cl- + 1.0000 UO2+
-        log_k           -0.5154
-	-delta_H	-21.1067	kJ/mol	# Calculated enthalpy of reaction	UO2Cl
+       UO2Cl = Cl- + UO2+
+        log_k -0.5154
+	-delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl
 #	Enthalpy of formation:	-1171.1 kJ/mol
-        -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001
+        -analytic -7.3291e+1 -2.594e-2 2.5753e+3 2.9038e+1 4.0207e+1
 #       -Range:  0-300
 
 UO2Cl2
-       UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-
-        log_k           12.1394
-	-delta_H	-109.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2
+       UO2Cl2 = UO2+2 + 2 Cl-
+        log_k 12.1394
+	-delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2
 #	Enthalpy of formation:	-1243.6 kJ/mol
-        -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002
+        -analytic -1.6569e+2 -6.6249e-2 8.692e+3 6.8055e+1 1.3568e+2
 #       -Range:  0-300
 
 UO2Cl2:3H2O
-       UO2Cl2:3H2O  =  + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O
-        log_k           5.6163
-	-delta_H	-45.8743	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:3H2O
+       UO2Cl2:3H2O = UO2+2 + 2 Cl- + 3 H2O
+        log_k 5.6163
+	-delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O
 #	Enthalpy of formation:	-2164.8 kJ/mol
-        -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001
+        -analytic -8.4932e+1 -2.0867e-2 4.7594e+3 3.2654e+1 8.085e+1
 #       -Range:  0-200
 
 UO2Cl2:H2O
-       UO2Cl2:H2O  =  + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl-
-        log_k           8.2880
-	-delta_H	-79.1977	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2:H2O
+       UO2Cl2:H2O = H2O + UO2+2 + 2 Cl-
+        log_k 8.288
+	-delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O
 #	Enthalpy of formation:	-1559.8 kJ/mol
-        -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001
+        -analytic -3.4458e+1 -2.063e-2 4.1231e+3 1.417e+1 7.0029e+1
 #       -Range:  0-200
 
 UO2ClOH:2H2O
-       UO2ClOH:2H2O +1.0000 H+  =  + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           2.3064
-	-delta_H	-33.1947	kJ/mol	# Calculated enthalpy of reaction	UO2ClOH:2H2O
+       UO2ClOH:2H2O + H+ = Cl- + UO2+2 + 3 H2O
+        log_k 2.3064
+	-delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O
 #	Enthalpy of formation:	-2010.4 kJ/mol
-        -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001
+        -analytic -9.1834e+1 -1.2041e-2 4.9131e+3 3.2835e+1 8.3462e+1
 #       -Range:  0-200
 
 UO2F2
-       UO2F2  =  + 1.0000 UO2++ + 2.0000 F-
-        log_k           -7.2302
-	-delta_H	-36.1952	kJ/mol	# Calculated enthalpy of reaction	UO2F2
+       UO2F2 = UO2+2 + 2 F-
+        log_k -7.2302
+	-delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2
 #	Enthalpy of formation:	-1653.5 kJ/mol
-        -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001
+        -analytic -2.0303e+2 -7.1028e-2 5.9356e+3 7.9627e+1 9.2679e+1
 #       -Range:  0-300
 
 UO2F2:3H2O
-       UO2F2:3H2O  =  + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O
-        log_k           -7.3692
-	-delta_H	-12.8202	kJ/mol	# Calculated enthalpy of reaction	UO2F2:3H2O
+       UO2F2:3H2O = UO2+2 + 2 F- + 3 H2O
+        log_k -7.3692
+	-delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O
 #	Enthalpy of formation:	-2534.39 kJ/mol
-        -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001
+        -analytic -1.0286e+2 -2.1223e-2 3.4855e+3 3.642e+1 5.9224e+1
 #       -Range:  0-200
 
 UO2FOH
-       UO2FOH +1.0000 H+  =  + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++
-        log_k           -1.8426
-	-delta_H	-41.7099	kJ/mol	# Calculated enthalpy of reaction	UO2FOH
+       UO2FOH + H+ = F- + H2O + UO2+2
+        log_k -1.8426
+	-delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH
 #	Enthalpy of formation:	-1598.48 kJ/mol
-        -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001
+        -analytic -4.9229e+1 -1.1984e-2 3.2086e+3 1.6244e+1 5.4503e+1
 #       -Range:  0-200
 
 UO2FOH:2H2O
-       UO2FOH:2H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           -2.6606
-	-delta_H	-21.8536	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:2H2O
+       UO2FOH:2H2O + H+ = F- + UO2+2 + 3 H2O
+        log_k -2.6606
+	-delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O
 #	Enthalpy of formation:	-2190.01 kJ/mol
-        -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001
+        -analytic -1.0011e+2 -1.2203e-2 4.5446e+3 3.469e+1 7.7208e+1
 #       -Range:  0-200
 
 UO2FOH:H2O
-       UO2FOH:H2O +1.0000 H+  =  + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O
-        log_k           -2.2838
-	-delta_H	-31.5243	kJ/mol	# Calculated enthalpy of reaction	UO2FOH:H2O
+       UO2FOH:H2O + H+ = F- + UO2+2 + 2 H2O
+        log_k -2.2838
+	-delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O
 #	Enthalpy of formation:	-1894.5 kJ/mol
-        -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001
+        -analytic -7.4628e+1 -1.2086e-2 3.8625e+3 2.5456e+1 6.5615e+1
 #       -Range:  0-200
 
 UO2HPO4
-       UO2HPO4  =  + 1.0000 HPO4-- + 1.0000 UO2++
-        log_k           -12.6782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UO2HPO4
+       UO2HPO4 = HPO4-2 + UO2+2
+        log_k -12.6782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
 #	Enthalpy of formation:	0 kcal/mol
 
 UO2HPO4:4H2O
-       UO2HPO4:4H2O  =  + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O
-        log_k           -13.0231
-	-delta_H	15.5327	kJ/mol	# Calculated enthalpy of reaction	UO2HPO4:4H2O
+       UO2HPO4:4H2O = HPO4-2 + UO2+2 + 4 H2O
+        log_k -13.0231
+	-delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O
 #	Enthalpy of formation:	-3469.97 kJ/mol
-        -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001
+        -analytic -1.1784e+2 -1.9418e-2 2.7547e+3 4.0963e+1 4.6818e+1
 #       -Range:  0-200
 
 UO2SO3
-       UO2SO3  =  + 1.0000 SO3-- + 1.0000 UO2++
-        log_k           -15.9812
-	-delta_H	6.4504	kJ/mol	# Calculated enthalpy of reaction	UO2SO3
+       UO2SO3 = SO3-2 + UO2+2
+        log_k -15.9812
+	-delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3
 #	Enthalpy of formation:	-1661 kJ/mol
-        -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001
+        -analytic 2.5751e+1 -1.3871e-2 -3.0305e+3 -1.109e+1 -5.147e+1
 #       -Range:  0-200
 
 UO2SO4
-       UO2SO4  =  + 1.0000 SO4-- + 1.0000 UO2++
-        log_k           1.9681
-	-delta_H	-83.4616	kJ/mol	# Calculated enthalpy of reaction	UO2SO4
+       UO2SO4 = SO4-2 + UO2+2
+        log_k 1.9681
+	-delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4
 #	Enthalpy of formation:	-1845.14 kJ/mol
-        -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002
+        -analytic -1.5677e+2 -6.531e-2 6.7411e+3 6.2867e+1 1.0523e+2
 #       -Range:  0-300
 
 UO2SO4:2.5H2O
-       UO2SO4:2.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O
-        log_k           -1.4912
-	-delta_H	-36.1984	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:2.5H2O
+       UO2SO4:2.5H2O = SO4-2 + UO2+2 + 2.5 H2O
+        log_k -1.4912
+	-delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O
 #	Enthalpy of formation:	-2607 kJ/mol
-        -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001
+        -analytic -4.8908e+1 -1.3445e-2 2.8658e+3 1.6894e+1 4.8683e+1
 #       -Range:  0-200
 
 UO2SO4:3.5H2O
-       UO2SO4:3.5H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O
-        log_k           -1.4805
-	-delta_H	-27.4367	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3.5H2O
+       UO2SO4:3.5H2O = SO4-2 + UO2+2 + 3.5 H2O
+        log_k -1.4805
+	-delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O
 #	Enthalpy of formation:	-2901.6 kJ/mol
-        -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001
+        -analytic -7.418e+1 -1.3565e-2 3.5963e+3 2.6136e+1 6.1096e+1
 #       -Range:  0-200
 
 UO2SO4:3H2O
-       UO2SO4:3H2O  =  + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O
-        log_k           -1.4028
-	-delta_H	-34.6176	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:3H2O
+       UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
+        log_k -1.4028
+	-delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O
 #	Enthalpy of formation:	-2751.5 kJ/mol
-        -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001
+        -analytic -5.0134e+1 -1.0321e-2 3.0505e+3 1.6799e+1 5.1818e+1
 #       -Range:  0-200
 
 UO2SO4:H2O
-       UO2SO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++
-        log_k           -6.0233
-	-delta_H	-39.1783	kJ/mol	# Calculated enthalpy of reaction	UO2SO4:H2O
+       UO2SO4:H2O = H2O + SO4-2 + UO2+2
+        log_k -6.0233
+	-delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O
 #	Enthalpy of formation:	-519.9 kcal/mol
-        -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001
+        -analytic -1.8879e+2 -6.9827e-2 5.5636e+3 7.4717e+1 8.687e+1
 #       -Range:  0-300
 
 UO3(alpha)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           8.6391
-	-delta_H	-87.3383	kJ/mol	# Calculated enthalpy of reaction	UO3(alpha)
+       UO3 + 2 H+ = H2O + UO2+2
+        log_k 8.6391
+	-delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha)
 #	Enthalpy of formation:	-1217.5 kJ/mol
-        -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001
+        -analytic -1.4099e+1 -1.9063e-3 4.7742e+3 2.9478e+0 7.4501e+1
 #       -Range:  0-300
 
 UO3(beta)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           8.3095
-	-delta_H	-84.5383	kJ/mol	# Calculated enthalpy of reaction	UO3(beta)
+       UO3 + 2 H+ = H2O + UO2+2
+        log_k 8.3095
+	-delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta)
 #	Enthalpy of formation:	-1220.3 kJ/mol
-        -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001
+        -analytic -1.2298e+1 -1.78e-3 4.5621e+3 2.3593e+0 7.1191e+1
 #       -Range:  0-300
 
 UO3(gamma)
-       UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++
-        log_k           7.7073
-	-delta_H	-81.0383	kJ/mol	# Calculated enthalpy of reaction	UO3(gamma)
+       UO3 + 2 H+ = H2O + UO2+2
+        log_k 7.7073
+	-delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma)
 #	Enthalpy of formation:	-1223.8 kJ/mol
-        -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001
+        -analytic -1.1573e+1 -2.356e-3 4.3124e+3 2.2305e+0 6.7294e+1
 #       -Range:  0-300
 
 UO3:.9H2O(alpha)
-       UO3:.9H2O +2.0000 H+  =  + 1.0000 UO2++ + 1.9000 H2O
-        log_k           5.0167
-	-delta_H	-55.7928	kJ/mol	# Calculated enthalpy of reaction	UO3:.9H2O(alpha)
+       UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O
+        log_k 5.0167
+	-delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha)
 #	Enthalpy of formation:	-1506.3 kJ/mol
-        -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001
+        -analytic -6.9286e+1 -3.0624e-3 5.5984e+3 2.2809e+1 9.5092e+1
 #       -Range:  0-200
 
 UO3:2H2O
-       UO3:2H2O +2.0000 H+  =  + 1.0000 UO2++ + 3.0000 H2O
-        log_k           4.8333
-	-delta_H	-50.415	kJ/mol	# Calculated enthalpy of reaction	UO3:2H2O
+       UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 4.8333
+	-delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O
 #	Enthalpy of formation:	-1826.1 kJ/mol
-        -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001
+        -analytic -5.953e+1 -9.8107e-3 4.4975e+3 2.1098e+1 7.0196e+1
 #       -Range:  0-300
 
 UOBr2
-       UOBr2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br-
-        log_k           7.9722
-	-delta_H	-146.445	kJ/mol	# Calculated enthalpy of reaction	UOBr2
+       UOBr2 + 2 H+ = H2O + U+4 + 2 Br-
+        log_k 7.9722
+	-delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2
 #	Enthalpy of formation:	-973.6 kJ/mol
-        -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002
+        -analytic -2.0747e+2 -7.05e-2 1.1746e+4 7.9629e+1 1.8334e+2
 #       -Range:  0-300
 
 UOBr3
-       UOBr3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br-
-        log_k           23.5651
-	-delta_H	-149.799	kJ/mol	# Calculated enthalpy of reaction	UOBr3
+       UOBr3 + H2O = UO2+ + 2 H+ + 3 Br-
+        log_k 23.5651
+	-delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3
 #	Enthalpy of formation:	-954 kJ/mol
-        -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002
+        -analytic -2.0001e+2 -8.4632e-2 1.1381e+4 8.5102e+1 1.7765e+2
 #       -Range:  0-300
 
 UOCl
-       UOCl +2.0000 H+  =  + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++
-        log_k           10.3872
-	-delta_H	-108.118	kJ/mol	# Calculated enthalpy of reaction	UOCl
+       UOCl + 2 H+ = Cl- + H2O + U+3
+        log_k 10.3872
+	-delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl
 #	Enthalpy of formation:	-833.9 kJ/mol
-        -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002
+        -analytic -1.1989e+2 -4.0791e-2 8.0834e+3 4.66e+1 1.2617e+2
 #       -Range:  0-300
 
 UOCl2
-       UOCl2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl-
-        log_k           5.4559
-	-delta_H	-141.898	kJ/mol	# Calculated enthalpy of reaction	UOCl2
+       UOCl2 + 2 H+ = H2O + U+4 + 2 Cl-
+        log_k 5.4559
+	-delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2
 #	Enthalpy of formation:	-1069.3 kJ/mol
-        -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002
+        -analytic -2.2096e+2 -7.3329e-2 1.1858e+4 8.425e+1 1.8509e+2
 #       -Range:  0-300
 
 UOCl3
-       UOCl3 +1.0000 H2O  =  + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl-
-        log_k           12.6370
-	-delta_H	-100.528	kJ/mol	# Calculated enthalpy of reaction	UOCl3
+       UOCl3 + H2O = UO2+ + 2 H+ + 3 Cl-
+        log_k 12.637
+	-delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3
 #	Enthalpy of formation:	-1140 kJ/mol
-        -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002
+        -analytic -2.1934e+2 -8.8639e-2 9.3198e+3 9.1775e+1 1.4549e+2
 #       -Range:  0-300
 
 UOF2
-       UOF2 +2.0000 H+  =  + 1.0000 H2O + 1.0000 U++++ + 2.0000 F-
-        log_k           -18.1473
-	-delta_H	-43.1335	kJ/mol	# Calculated enthalpy of reaction	UOF2
+       UOF2 + 2 H+ = H2O + U+4 + 2 F-
+        log_k -18.1473
+	-delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2
 #	Enthalpy of formation:	-1504.6 kJ/mol
-        -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001
+        -analytic -6.9471e+1 -2.6188e-2 2.5576e+3 2.0428e+1 4.3454e+1
 #       -Range:  0-200
 
 UOF2:H2O
-       UOF2:H2O +2.0000 H+  =  + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O
-        log_k           -18.7019
-	-delta_H	-31.5719	kJ/mol	# Calculated enthalpy of reaction	UOF2:H2O
+       UOF2:H2O + 2 H+ = U+4 + 2 F- + 2 H2O
+        log_k -18.7019
+	-delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O
 #	Enthalpy of formation:	-1802 kJ/mol
-        -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001
+        -analytic -9.501e+1 -2.6355e-2 3.1474e+3 2.9746e+1 5.348e+1
 #       -Range:  0-200
 
 UOF4
-       UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F-
-        log_k           4.5737
-	-delta_H	-149.952	kJ/mol	# Calculated enthalpy of reaction	UOF4
+       UOF4 + H2O = UO2+2 + 2 H+ + 4 F-
+        log_k 4.5737
+	-delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4
 #	Enthalpy of formation:	-1924.6 kJ/mol
-        -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001
+        -analytic -5.9731e+0 -3.8581e-2 4.6903e+3 2.5464e+0 7.9649e+1
 #       -Range:  0-200
 
 UOFOH
-       UOFOH +3.0000 H+  =  + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O
-        log_k           -8.9274
-	-delta_H	-71.5243	kJ/mol	# Calculated enthalpy of reaction	UOFOH
+       UOFOH + 3 H+ = F- + U+4 + 2 H2O
+        log_k -8.9274
+	-delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH
 #	Enthalpy of formation:	-1426.7 kJ/mol
-        -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001
+        -analytic -9.2412e+1 -1.7293e-2 5.815e+3 2.794e+1 9.8779e+1
 #       -Range:  0-200
 
 UOFOH:.5H2O
-       UOFOH:.5H2O +1.0000 H+ +0.5000 O2  =  + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O
-        log_k           24.5669
-	-delta_H	-200.938	kJ/mol	# Calculated enthalpy of reaction	UOFOH:.5H2O
+       UOFOH:.5H2O + H+ + 0.5 O2 = F- + UO2+2 + 1.5 H2O
+        log_k 24.5669
+	-delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O
 #	Enthalpy of formation:	-1576.1 kJ/mol
-        -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002
+        -analytic -1.1024e+1 -7.718e-3 1.0019e+4 1.7305e+0 1.7014e+2
 #       -Range:  0-200
 
 UP
-       UP +2.0000 O2 +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 U+++
-        log_k           233.4928
-	-delta_H	-1487.11	kJ/mol	# Calculated enthalpy of reaction	UP
+       UP + 2 O2 + H+ = HPO4-2 + U+3
+        log_k 233.4928
+	-delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP
 #	Enthalpy of formation:	-269.8 kJ/mol
-        -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005
+        -analytic -2.1649e+2 -9.0873e-2 8.3804e+4 8.1649e+1 -5.4044e+5
 #       -Range:  0-300
 
 UP2
-       UP2 +3.2500 O2 +1.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4--
-        log_k           360.5796
-	-delta_H	-2301.07	kJ/mol	# Calculated enthalpy of reaction	UP2
+       UP2 + 3.25 O2 + 1.5 H2O = H+ + U+3 + 2 HPO4-2
+        log_k 360.5796
+	-delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2
 #	Enthalpy of formation:	-304 kJ/mol
-        -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005
+        -analytic -2.4721e+2 -1.5005e-1 1.2243e+5 9.9521e+1 -3.9706e+5
 #       -Range:  0-300
 
 UP2O7
-       UP2O7 +1.0000 H2O  =  + 1.0000 U++++ + 2.0000 HPO4--
-        log_k           -32.9922
-	-delta_H	-37.5256	kJ/mol	# Calculated enthalpy of reaction	UP2O7
+       UP2O7 + H2O = U+4 + 2 HPO4-2
+        log_k -32.9922
+	-delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7
 #	Enthalpy of formation:	-2852 kJ/mol
-        -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002
+        -analytic -3.591e+2 -1.3819e-1 7.6509e+3 1.3804e+2 1.1949e+2
 #       -Range:  0-300
 
 UP2O7:20H2O
-       UP2O7:20H2O  =  + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O
-        log_k           -28.6300
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	UP2O7:20H2O
+       UP2O7:20H2O = U+4 + 2 HPO4-2 + 19 H2O
+        log_k -28.63
+	-delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 UPO5
-       UPO5 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+
-        log_k           -19.5754
-	-delta_H	32.6294	kJ/mol	# Calculated enthalpy of reaction	UPO5
+       UPO5 + H2O = H+ + HPO4-2 + UO2+
+        log_k -19.5754
+	-delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5
 #	Enthalpy of formation:	-2064 kJ/mol
-        -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001
+        -analytic -1.5316e+2 -6.0911e-2 7.3255e+2 6.0317e+1 1.1476e+1
 #       -Range:  0-300
 
 US
-       US +2.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++
-        log_k           46.6547
-	-delta_H	-322.894	kJ/mol	# Calculated enthalpy of reaction	US
+       US + 2 H+ + 0.25 O2 = 0.5 H2O + HS- + U+3
+        log_k 46.6547
+	-delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US
 #	Enthalpy of formation:	-322.2 kJ/mol
-        -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002
+        -analytic -1.0845e+2 -4.0538e-2 1.8749e+4 4.2147e+1 2.9259e+2
 #       -Range:  0-300
 
 US1.9
-       US1.9 +1.9000 H+  =  + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS-
-        log_k           -2.2816
-	-delta_H	-91.486	kJ/mol	# Calculated enthalpy of reaction	US1.9
+       US1.9 + 1.9 H+ = 0.2 U+3 + 0.8 U+4 + 1.9 HS-
+        log_k -2.2816
+	-delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9
 #	Enthalpy of formation:	-509.9 kJ/mol
-        -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002
+        -analytic -2.0534e+2 -6.839e-2 8.8888e+3 7.8243e+1 1.3876e+2
 #       -Range:  0-300
 
 US2
-       US2 +2.0000 H+  =  + 1.0000 U++++ + 2.0000 HS-
-        log_k           -2.3324
-	-delta_H	-103.017	kJ/mol	# Calculated enthalpy of reaction	US2
+       US2 + 2 H+ = U+4 + 2 HS-
+        log_k -2.3324
+	-delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2
 #	Enthalpy of formation:	-520.4 kJ/mol
-        -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002
+        -analytic -2.1819e+2 -7.1522e-2 9.7782e+3 8.2586e+1 1.5264e+2
 #       -Range:  0-300
 
 US3
-       US3 +2.0000 H2O  =  + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS-
-        log_k           -16.6370
-	-delta_H	43.9515	kJ/mol	# Calculated enthalpy of reaction	US3
+       US3 + 2 H2O = H+ + UO2+2 + 3 HS-
+        log_k -16.637
+	-delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3
 #	Enthalpy of formation:	-539.6 kJ/mol
-        -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001
+        -analytic -2.3635e+2 -9.5877e-2 1.917e+3 9.7726e+1 2.9982e+1
 #       -Range:  0-300
 
 USb
-       USb +3.0000 H+ +1.5000 O2  =  + 1.0000 Sb(OH)3 + 1.0000 U+++
-        log_k           176.0723
-	-delta_H	-1106.19	kJ/mol	# Calculated enthalpy of reaction	USb
+       USb + 3 H+ + 1.5 O2 = Sb(OH)3 + U+3
+        log_k 176.0723
+	-delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb
 #	Enthalpy of formation:	-138.5 kJ/mol
 
 USb2
-       USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 2.0000 Sb(OH)3
-        log_k           223.1358
-	-delta_H	-1407.02	kJ/mol	# Calculated enthalpy of reaction	USb2
+       USb2 + 3 H+ + 2.25 O2 + 1.5 H2O = U+3 + 2 Sb(OH)3
+        log_k 223.1358
+	-delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2
 #	Enthalpy of formation:	-173.6 kJ/mol
 
 Uranium-selenide
-       1.0USe +1.7500 O2 +1.0000 H+  =  + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++
-        log_k           125.6086
-	-delta_H	-844.278	kJ/mol	# Calculated enthalpy of reaction	Uranium-selenide
+       1 USe + 1.75 O2 + H+ = 0.5 H2O + SeO3-2 + U+3
+        log_k 125.6086
+	-delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide
 #	Enthalpy of formation:	-275.7 kJ/mol
-        -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002
+        -analytic -1.0853e+2 -7.6251e-2 4.323e+4 4.5189e+1 6.746e+2
 #       -Range:  0-300
 
 USe2(alpha)
-       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
-        log_k           125.4445
-	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(alpha)
+       USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2
+        log_k 125.4445
+	-delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha)
 #	Enthalpy of formation:	-427 kJ/mol
-        -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002
+        -analytic -2.0454e+2 -1.4191e-1 4.6114e+4 8.7906e+1 7.1963e+2
 #       -Range:  0-300
 
 USe2(beta)
-       USe2 +2.7500 O2 +0.5000 H2O  =  + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
-        log_k           125.2868
-	-delta_H	-904.199	kJ/mol	# Calculated enthalpy of reaction	USe2(beta)
+       USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2
+        log_k 125.2868
+	-delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta)
 #	Enthalpy of formation:	-427 kJ/mol
-        -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002
+        -analytic -2.0334e+2 -1.4147e-1 4.6082e+4 8.7349e+1 7.1913e+2
 #       -Range:  0-300
 
 USe3
-       USe3 +3.7500 O2 +1.5000 H2O  =  + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3--
-        log_k           147.2214
-	-delta_H	-1090.42	kJ/mol	# Calculated enthalpy of reaction	USe3
+       USe3 + 3.75 O2 + 1.5 H2O = U+3 + 3 H+ + 3 SeO3-2
+        log_k 147.2214
+	-delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3
 #	Enthalpy of formation:	-452 kJ/mol
-        -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002
+        -analytic 4.9201e+2 -1.372e-2 3.2168e+4 -1.8131e+2 5.4609e+2
 #       -Range:  0-200
 
 Umangite
-        Cu3Se2  =  + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se--
-        log_k           -93.8412
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Umangite
+        Cu3Se2 = Cu+2 + 2 Cu+ + 2 Se-2
+        log_k -93.8412
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Umangite
 #	Enthalpy of formation:	-25 kcal/mol
-        -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002
+        -analytic -7.2308e+1 -2.2566e-3 -2.0738e+4 1.9677e+1 -3.5214e+2
 #       -Range:  0-200
 
 Uraninite
-        UO2 +4.0000 H+  =  + 1.0000 U++++ + 2.0000 H2O
-        log_k           -4.8372
-	-delta_H	-77.8767	kJ/mol	# Calculated enthalpy of reaction	Uraninite
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k -4.8372
+	-delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite
 #	Enthalpy of formation:	-1085 kJ/mol
-        -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001
+        -analytic -7.5776e+1 -1.0558e-2 5.9677e+3 2.1853e+1 9.3142e+1
 #       -Range:  0-300
 
 Uranocircite
-        Ba(UO2)2(PO4)2 +2.0000 H+  =  + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++
-        log_k           -19.8057
-	-delta_H	-72.3317	kJ/mol	# Calculated enthalpy of reaction	Uranocircite
+        Ba(UO2)2(PO4)2 + 2 H+ = Ba+2 + 2 HPO4-2 + 2 UO2+2
+        log_k -19.8057
+	-delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite
 #	Enthalpy of formation:	-1215.94 kcal/mol
-        -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001
+        -analytic -3.6843e+1 -4.3076e-2 1.2427e+3 1.0384e+1 2.1115e+1
 #       -Range:  0-200
 
 Uranophane
-        Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+  =  + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
-        log_k           17.2850
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Uranophane
+        Ca(UO2)2(SiO3)2(OH)2 + 6 H+ = Ca+2 + 2 SiO2 + 2 UO2+2 + 4 H2O
+        log_k 17.285
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane
 #	Enthalpy of formation:	0 kcal/mol
 
 V
-       V +3.0000 H+ +0.7500 O2  =  + 1.0000 V+++ + 1.5000 H2O
-        log_k           106.9435
-	-delta_H	-680.697	kJ/mol	# Calculated enthalpy of reaction	V
+       V + 3 H+ + 0.75 O2 = V+3 + 1.5 H2O
+        log_k 106.9435
+	-delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005
+        -analytic -1.0508e+2 -2.1334e-2 4.0364e+4 3.5012e+1 -3.229e+5
 #       -Range:  0-300
 
 V2O4
-       V2O4 +4.0000 H+  =  + 2.0000 H2O + 2.0000 VO++
-        log_k           8.5719
-	-delta_H	-117.564	kJ/mol	# Calculated enthalpy of reaction	V2O4
+       V2O4 + 4 H+ = 2 H2O + 2 VO+2
+        log_k 8.5719
+	-delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4
 #	Enthalpy of formation:	-1427.31 kJ/mol
-        -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002
+        -analytic -1.4429e+2 -3.7423e-2 9.7046e+3 5.3125e+1 1.5147e+2
 #       -Range:  0-300
 
 V3O5
-       V3O5 +8.0000 H+  =  + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O
-        log_k           13.4312
-	-delta_H	-218.857	kJ/mol	# Calculated enthalpy of reaction	V3O5
+       V3O5 + 8 H+ = VO+2 + 2 V+3 + 4 H2O
+        log_k 13.4312
+	-delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5
 #	Enthalpy of formation:	-1933.17 kJ/mol
-        -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002
+        -analytic -1.7652e+2 -2.1959e-2 1.6814e+4 5.6618e+1 2.8559e+2
 #       -Range:  0-200
 
 V4O7
-       V4O7 +10.0000 H+  =  + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O
-        log_k           18.7946
-	-delta_H	-284.907	kJ/mol	# Calculated enthalpy of reaction	V4O7
+       V4O7 + 10 H+ = 2 V+3 + 2 VO+2 + 5 H2O
+        log_k 18.7946
+	-delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7
 #	Enthalpy of formation:	-2639.56 kJ/mol
-        -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002
+        -analytic -2.2602e+2 -3.0261e-2 2.1667e+4 7.3214e+1 3.68e+2
 #       -Range:  0-200
 
 Vaesite
-        NiS2 +1.0000 H2O  =  + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS-
-        log_k           -26.7622
-	-delta_H	110.443	kJ/mol	# Calculated enthalpy of reaction	Vaesite
+        NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
+        log_k -26.7622
+	-delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite
 #	Enthalpy of formation:	-32.067 kcal/mol
-        -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002
+        -analytic 1.6172e+1 -2.2673e-2 -8.2514e+3 -3.4392e+0 -1.4013e+2
 #       -Range:  0-200
 
 Vivianite
-        Fe3(PO4)2:8H2O +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O
-        log_k           -4.7237
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Vivianite
+        Fe3(PO4)2:8H2O + 2 H+ = 2 HPO4-2 + 3 Fe+2 + 8 H2O
+        log_k -4.7237
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite
 #	Enthalpy of formation:	0 kcal/mol
 
 W
-       W +1.5000 O2 +1.0000 H2O  =  + 1.0000 WO4-- + 2.0000 H+
-        log_k           123.4334
-	-delta_H	-771.668	kJ/mol	# Calculated enthalpy of reaction	W
+       W + 1.5 O2 + H2O = WO4-2 + 2 H+
+        log_k 123.4334
+	-delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002
+        -analytic -1.0433e+2 -6.947e-2 4.0134e+4 4.5993e+1 6.2629e+2
 #       -Range:  0-300
 
 Wairakite
-        CaAl2Si4O10(OH)4 +8.0000 H+  =  + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O
-        log_k           18.0762
-	-delta_H	-237.781	kJ/mol	# Calculated enthalpy of reaction	Wairakite
+        CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O
+        log_k 18.0762
+	-delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite
 #	Enthalpy of formation:	-1579.33 kcal/mol
-        -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006
+        -analytic -1.7914e+1 3.2944e-3 2.2782e+4 -9.0981e+0 -1.6934e+6
 #       -Range:  0-300
 
 Weeksite
-        K2(UO2)2(Si2O5)3:4H2O +6.0000 H+  =  + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O
-        log_k           15.3750
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Weeksite
+        K2(UO2)2(Si2O5)3:4H2O + 6 H+ = 2 K+ + 2 UO2+2 + 6 SiO2 + 7 H2O
+        log_k 15.375
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite
 #	Enthalpy of formation:	0 kcal/mol
 
 Whitlockite
-        Ca3(PO4)2 +2.0000 H+  =  + 2.0000 HPO4-- + 3.0000 Ca++
-        log_k           -4.2249
-	-delta_H	-116.645	kJ/mol	# Calculated enthalpy of reaction	Whitlockite
+        Ca3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ca+2
+        log_k -4.2249
+	-delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite
 #	Enthalpy of formation:	-4096.77 kJ/mol
-        -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002
+        -analytic -5.3543e+2 -1.8842e-1 1.7176e+4 2.1406e+2 2.6817e+2
 #       -Range:  0-300
 
 Wilkmanite
-        Ni3Se4 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se--
-        log_k           -152.8793
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Wilkmanite
+        Ni3Se4 + H2O = 0.5 O2 + 2 H+ + 3 Ni+2 + 4 Se-2
+        log_k -152.8793
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite
 #	Enthalpy of formation:	-60.285 kcal/mol
-        -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005
+        -analytic -1.9769e+2 -4.9968e-2 -2.8208e+4 6.2863e+1 -1.1322e+5
 #       -Range:  0-300
 
 Witherite
-        BaCO3 +1.0000 H+  =  + 1.0000 Ba++ + 1.0000 HCO3-
-        log_k           -2.9965
-	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
+        BaCO3 + H+ = Ba+2 + HCO3-
+        log_k -2.9965
+	-delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite
 #	Enthalpy of formation:	-297.5 kcal/mol
-        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
+        -analytic -1.2585e+2 -4.4315e-2 2.0227e+3 5.2239e+1 3.16e+1
 #       -Range:  0-300
 
 Wollastonite
-        CaSiO3 +2.0000 H+  =  + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2
-        log_k           13.7605
-	-delta_H	-76.5756	kJ/mol	# Calculated enthalpy of reaction	Wollastonite
+        CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
+        log_k 13.7605
+	-delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite
 #	Enthalpy of formation:	-389.59 kcal/mol
-        -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005
+        -analytic 3.0931e+1 6.7466e-3 5.1749e+3 -1.3209e+1 -3.4579e+5
 #       -Range:  0-300
 
 Wurtzite
-        ZnS +1.0000 H+  =  + 1.0000 HS- + 1.0000 Zn++
-        log_k           -9.1406
-	-delta_H	22.3426	kJ/mol	# Calculated enthalpy of reaction	Wurtzite
+        ZnS + H+ = HS- + Zn+2
+        log_k -9.1406
+	-delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite
 #	Enthalpy of formation:	-45.85 kcal/mol
-        -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001
+        -analytic -1.5446e+2 -4.8874e-2 2.4551e+3 6.1278e+1 3.8355e+1
 #       -Range:  0-300
 
 Wustite
-        Fe.947O +2.0000 H+  =  + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O
-        log_k           12.4113
-	-delta_H	-102.417	kJ/mol	# Calculated enthalpy of reaction	Wustite
+        Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
+        log_k 12.4113
+	-delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite
 #	Enthalpy of formation:	-266.265 kJ/mol
-        -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002
+        -analytic -7.6919e+1 -1.8433e-2 7.3823e+3 2.8312e+1 1.1522e+2
 #       -Range:  0-300
 
 Xonotlite
-        Ca6Si6O17(OH)2 +12.0000 H+  =  + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O
-        log_k           91.8267
-	-delta_H	-495.457	kJ/mol	# Calculated enthalpy of reaction	Xonotlite
+        Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
+        log_k 91.8267
+	-delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite
 #	Enthalpy of formation:	-2397.25 kcal/mol
-        -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002
+        -analytic 1.608e+3 3.7309e-1 -2.2548e+4 -6.2716e+2 -3.8346e+2
 #       -Range:  0-200
 
 Y
-       Y +3.0000 H+ +0.7500 O2  =  + 1.0000 Y+++ + 1.5000 H2O
-        log_k           184.5689
-	-delta_H	-1134.7	kJ/mol	# Calculated enthalpy of reaction	Y
+       Y + 3 H+ + 0.75 O2 = Y+3 + 1.5 H2O
+        log_k 184.5689
+	-delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002
+        -analytic -6.2641e+1 -2.8062e-2 5.9667e+4 2.2394e+1 9.3107e+2
 #       -Range:  0-300
 
 Yb
-       Yb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Yb++
-        log_k           137.1930
-	-delta_H	-810.303	kJ/mol	# Calculated enthalpy of reaction	Yb
+       Yb + 2 H+ + 0.5 O2 = H2O + Yb+2
+        log_k 137.193
+	-delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002
+        -analytic -7.4712e+1 -2.0993e-2 4.4129e+4 2.8341e+1 6.8862e+2
 #       -Range:  0-300
 
 Yb(OH)3
-       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
-        log_k           14.6852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3
+       Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O
+        log_k 14.6852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Yb(OH)3(am)
-       Yb(OH)3 +3.0000 H+  =  + 1.0000 Yb+++ + 3.0000 H2O
-        log_k           18.9852
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb(OH)3(am)
+       Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O
+        log_k 18.9852
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am)
 #	Enthalpy of formation:	0 kcal/mol
 
 Yb2(CO3)3
-       Yb2(CO3)3 +3.0000 H+  =  + 2.0000 Yb+++ + 3.0000 HCO3-
-        log_k           -2.3136
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2(CO3)3
+       Yb2(CO3)3 + 3 H+ = 2 Yb+3 + 3 HCO3-
+        log_k -2.3136
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3
 #	Enthalpy of formation:	0 kcal/mol
 
 Yb2O3
-       Yb2O3 +6.0000 H+  =  + 2.0000 Yb+++ + 3.0000 H2O
-        log_k           47.8000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Yb2O3
+       Yb2O3 + 6 H+ = 2 Yb+3 + 3 H2O
+        log_k 47.8
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3
 #	Enthalpy of formation:	0 kcal/mol
 
 YbF3:.5H2O
-       YbF3:.5H2O  =  + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F-
-        log_k           -16.0000
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbF3:.5H2O
+       YbF3:.5H2O = 0.5 H2O + Yb+3 + 3 F-
+        log_k -16
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 YbPO4:10H2O
-       YbPO4:10H2O +1.0000 H+  =  + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O
-        log_k           -11.7782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	YbPO4:10H2O
+       YbPO4:10H2O + H+ = HPO4-2 + Yb+3 + 10 H2O
+        log_k -11.7782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 Zincite
-        ZnO +2.0000 H+  =  + 1.0000 H2O + 1.0000 Zn++
-        log_k           11.2087
-	-delta_H	-88.7638	kJ/mol	# Calculated enthalpy of reaction	Zincite
+        ZnO + 2 H+ = H2O + Zn+2
+        log_k 11.2087
+	-delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite
 #	Enthalpy of formation:	-350.46 kJ/mol
-        -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002
+        -analytic -8.6681e+1 -1.9324e-2 7.1034e+3 3.2256e+1 1.1087e+2
 #       -Range:  0-300
 
 Zircon
-        ZrSiO4 +2.0000 H+  =  + 1.0000 SiO2 + 1.0000 Zr(OH)2++
-        log_k           -15.4193
-	-delta_H	64.8635	kJ/mol	# Calculated enthalpy of reaction	Zircon
+        ZrSiO4 + 2 H+ = SiO2 + Zr(OH)2+2
+        log_k -15.4193
+	-delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon
 #	Enthalpy of formation:	-2033.4 kJ/mol
-        -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005
+        -analytic 9.2639e+0 6.5416e-3 5.0759e+2 -8.4547e+0 -6.6155e+5
 #       -Range:  0-300
 
 Zn
-       Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++
-        log_k           68.8035
-	-delta_H	-433.157	kJ/mol	# Calculated enthalpy of reaction	Zn
+       Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
+        log_k 68.8035
+	-delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002
+        -analytic -6.4131e+1 -2.0009e-2 2.3921e+4 2.3702e+1 3.7329e+2
 #       -Range:  0-300
 
 Zn(BO2)2
-       Zn(BO2)2 +2.0000 H+ +2.0000 H2O  =  + 1.0000 Zn++ + 2.0000 B(OH)3
-        log_k           8.3130
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(BO2)2
+       Zn(BO2)2 + 2 H+ + 2 H2O = Zn+2 + 2 B(OH)3
+        log_k 8.313
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn(ClO4)2:6H2O
-       Zn(ClO4)2:6H2O  =  + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O
-        log_k           5.6474
-	-delta_H	6.31871	kJ/mol	# Calculated enthalpy of reaction	Zn(ClO4)2:6H2O
+       Zn(ClO4)2:6H2O = Zn+2 + 2 ClO4- + 6 H2O
+        log_k 5.6474
+	-delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O
 #	Enthalpy of formation:	-2133.39 kJ/mol
-        -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002
+        -analytic -1.8191e+2 -9.1383e-3 7.4822e+3 6.6751e+1 1.2712e+2
 #       -Range:  0-200
 
 Zn(IO3)2
-       Zn(IO3)2  =  + 1.0000 Zn++ + 2.0000 IO3-
-        log_k           -5.3193
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(IO3)2
+       Zn(IO3)2 = Zn+2 + 2 IO3-
+        log_k -5.3193
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn(NO3)2:6H2O
-       Zn(NO3)2:6H2O  =  + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O
-        log_k           3.4102
-	-delta_H	24.7577	kJ/mol	# Calculated enthalpy of reaction	Zn(NO3)2:6H2O
+       Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+        log_k 3.4102
+	-delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O
 #	Enthalpy of formation:	-2306.8 kJ/mol
-        -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001
+        -analytic -1.7152e+2 -1.6875e-2 5.6291e+3 6.5094e+1 9.5649e+1
 #       -Range:  0-200
 
 Zn(OH)2(beta)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.9341
-	-delta_H	-83.2111	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(beta)
+       Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.9341
+	-delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta)
 #	Enthalpy of formation:	-641.851 kJ/mol
-        -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002
+        -analytic -7.781e+1 -7.8548e-3 7.1994e+3 2.7455e+1 1.2228e+2
 #       -Range:  0-200
 
 Zn(OH)2(epsilon)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.6625
-	-delta_H	-81.7811	kJ/mol	# Calculated enthalpy of reaction	Zn(OH)2(epsilon)
+       Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.6625
+	-delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon)
 #	Enthalpy of formation:	-643.281 kJ/mol
-        -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002
+        -analytic -7.7938e+1 -7.8767e-3 7.1282e+3 2.7496e+1 1.2107e+2
 #       -Range:  0-200
 
 Zn(OH)2(gamma)
-       Zn(OH)2 +2.0000 H+  =  + 1.0000 Zn++ + 2.0000 H2O
-        log_k           11.8832
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn(OH)2(gamma)
+       Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.8832
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma)
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn2(OH)3Cl
-       Zn2(OH)3Cl +3.0000 H+  =  + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O
-        log_k           15.2921
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2(OH)3Cl
+       Zn2(OH)3Cl + 3 H+ = Cl- + 2 Zn+2 + 3 H2O
+        log_k 15.2921
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn2SO4(OH)2
-       Zn2SO4(OH)2 +2.0000 H+  =  + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++
-        log_k           7.5816
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2SO4(OH)2
+       Zn2SO4(OH)2 + 2 H+ = SO4-2 + 2 H2O + 2 Zn+2
+        log_k 7.5816
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn2SiO4
-       Zn2SiO4 +4.0000 H+  =  + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++
-        log_k           13.8695
-	-delta_H	-119.399	kJ/mol	# Calculated enthalpy of reaction	Zn2SiO4
+       Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
+        log_k 13.8695
+	-delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4
 #	Enthalpy of formation:	-1636.75 kJ/mol
-        -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000
+        -analytic 2.097e+2 5.3663e-2 -1.2724e+2 -8.5445e+1 -2.2336e+0
 #       -Range:  0-200
 
 Zn2TiO4
-       Zn2TiO4 +4.0000 H+  =  + 1.0000 Ti(OH)4 + 2.0000 Zn++
-        log_k           12.3273
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn2TiO4
+       Zn2TiO4 + 4 H+ = Ti(OH)4 + 2 Zn+2
+        log_k 12.3273
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4
 #	Enthalpy of formation:	-1647.85 kJ/mol
 
 Zn3(AsO4)2
-       Zn3(AsO4)2 +4.0000 H+  =  + 2.0000 H2AsO4- + 3.0000 Zn++
-        log_k           9.3122
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn3(AsO4)2
+       Zn3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Zn+2
+        log_k 9.3122
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2
 #	Enthalpy of formation:	0 kcal/mol
 
 Zn3O(SO4)2
-       Zn3O(SO4)2 +2.0000 H+  =  + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++
-        log_k           19.1188
-	-delta_H	-258.253	kJ/mol	# Calculated enthalpy of reaction	Zn3O(SO4)2
+       Zn3O(SO4)2 + 2 H+ = H2O + 2 SO4-2 + 3 Zn+2
+        log_k 19.1188
+	-delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2
 #	Enthalpy of formation:	-2306.95 kJ/mol
-        -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002
+        -analytic -3.9661e+1 -4.386e-2 1.1301e+4 1.3709e+1 1.9193e+2
 #       -Range:  0-200
 
 Zn5(NO3)2(OH)8
-       Zn5(NO3)2(OH)8 +8.0000 H+  =  + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O
-        log_k           42.6674
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zn5(NO3)2(OH)8
+       Zn5(NO3)2(OH)8 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O
+        log_k 42.6674
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8
 #	Enthalpy of formation:	0 kcal/mol
 
 ZnBr2
-       ZnBr2  =  + 1.0000 Zn++ + 2.0000 Br-
-        log_k           7.5787
-	-delta_H	-67.7622	kJ/mol	# Calculated enthalpy of reaction	ZnBr2
+       ZnBr2 = Zn+2 + 2 Br-
+        log_k 7.5787
+	-delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2
 #	Enthalpy of formation:	-328.63 kJ/mol
-        -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001
+        -analytic 6.5789e-2 -2.1477e-2 1.984e+3 2.9302e+0 3.3691e+1
 #       -Range:  0-200
 
 ZnBr2:2H2O
-       ZnBr2:2H2O  =  + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O
-        log_k           5.2999
-	-delta_H	-30.9268	kJ/mol	# Calculated enthalpy of reaction	ZnBr2:2H2O
+       ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+        log_k 5.2999
+	-delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O
 #	Enthalpy of formation:	-937.142 kJ/mol
-        -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001
+        -analytic -4.926e+1 -2.1682e-2 2.4325e+3 2.136e+1 4.1324e+1
 #       -Range:  0-200
 
 ZnCO3:H2O
-       ZnCO3:H2O +1.0000 H+  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++
-        log_k           0.1398
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZnCO3:H2O
+       ZnCO3:H2O + H+ = H2O + HCO3- + Zn+2
+        log_k 0.1398
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O
 #	Enthalpy of formation:	0 kcal/mol
 
 ZnCl2
-       ZnCl2  =  + 1.0000 Zn++ + 2.0000 Cl-
-        log_k           7.0880
-	-delta_H	-72.4548	kJ/mol	# Calculated enthalpy of reaction	ZnCl2
+       ZnCl2 = Zn+2 + 2 Cl-
+        log_k 7.088
+	-delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2
 #	Enthalpy of formation:	-415.09 kJ/mol
-        -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001
+        -analytic -1.6157e+1 -2.5405e-2 2.6505e+3 8.8584e+0 4.5015e+1
 #       -Range:  0-200
 
 ZnCl2(NH3)2
-       ZnCl2(NH3)2  =  + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3
-        log_k           -6.9956
-	-delta_H	27.2083	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)2
+       ZnCl2(NH3)2 = Zn+2 + 2 Cl- + 2 NH3
+        log_k -6.9956
+	-delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2
 #	Enthalpy of formation:	-677.427 kJ/mol
-        -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000
+        -analytic -5.9409e+1 -2.2698e-2 -2.9178e+2 2.4308e+1 -4.9341e+0
 #       -Range:  0-200
 
 ZnCl2(NH3)4
-       ZnCl2(NH3)4  =  + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3
-        log_k           -6.6955
-	-delta_H	56.2004	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)4
+       ZnCl2(NH3)4 = Zn+2 + 2 Cl- + 4 NH3
+        log_k -6.6955
+	-delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4
 #	Enthalpy of formation:	-869.093 kJ/mol
-        -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000
+        -analytic -9.9769e+1 -1.9793e-2 4.2916e+2 3.9412e+1 7.3223e+0
 #       -Range:  0-200
 
 ZnCl2(NH3)6
-       ZnCl2(NH3)6  =  + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3
-        log_k           -4.7311
-	-delta_H	77.4225	kJ/mol	# Calculated enthalpy of reaction	ZnCl2(NH3)6
+       ZnCl2(NH3)6 = Zn+2 + 2 Cl- + 6 NH3
+        log_k -4.7311
+	-delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6
 #	Enthalpy of formation:	-1052.99 kJ/mol
-        -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001
+        -analytic -1.3984e+2 -1.6896e-2 1.5559e+3 5.4524e+1 2.647e+1
 #       -Range:  0-200
 
 ZnCr2O4
-       ZnCr2O4 +8.0000 H+  =  + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O
-        log_k           7.9161
-	-delta_H	-221.953	kJ/mol	# Calculated enthalpy of reaction	ZnCr2O4
+       ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
+        log_k 7.9161
+	-delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4
 #	Enthalpy of formation:	-370.88 kcal/mol
-        -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002
+        -analytic -1.7603e+2 -1.0217e-2 1.7414e+4 5.1966e+1 2.9577e+2
 #       -Range:  0-200
 
 ZnF2
-       ZnF2  =  + 1.0000 Zn++ + 2.0000 F-
-        log_k           -0.4418
-	-delta_H	-59.8746	kJ/mol	# Calculated enthalpy of reaction	ZnF2
+       ZnF2 = Zn+2 + 2 F-
+        log_k -0.4418
+	-delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2
 #	Enthalpy of formation:	-764.206 kJ/mol
-        -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002
+        -analytic -2.6085e+2 -8.4594e-2 9.024e+3 1.0318e+2 1.4089e+2
 #       -Range:  0-300
 
 ZnI2
-       ZnI2  =  + 1.0000 Zn++ + 2.0000 I-
-        log_k           7.3885
-	-delta_H	-59.2332	kJ/mol	# Calculated enthalpy of reaction	ZnI2
+       ZnI2 = Zn+2 + 2 I-
+        log_k 7.3885
+	-delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2
 #	Enthalpy of formation:	-207.957 kJ/mol
-        -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001
+        -analytic -1.6472e+1 -2.5573e-2 2.0796e+3 9.9013e+0 3.532e+1
 #       -Range:  0-200
 
 ZnSO4
-       ZnSO4  =  + 1.0000 SO4-- + 1.0000 Zn++
-        log_k           3.5452
-	-delta_H	-80.132	kJ/mol	# Calculated enthalpy of reaction	ZnSO4
+       ZnSO4 = SO4-2 + Zn+2
+        log_k 3.5452
+	-delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4
 #	Enthalpy of formation:	-982.855 kJ/mol
-        -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001
+        -analytic 6.9905e+0 -1.8046e-2 2.2566e+3 -2.2819e+0 3.8318e+1
 #       -Range:  0-200
 
 ZnSO4:6H2O
-       ZnSO4:6H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O
-        log_k           -1.6846
-	-delta_H	-0.412008	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:6H2O
+       ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
+        log_k -1.6846
+	-delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O
 #	Enthalpy of formation:	-2777.61 kJ/mol
-        -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001
+        -analytic -1.4506e+2 -1.8736e-2 5.2179e+3 5.3121e+1 8.8657e+1
 #       -Range:  0-200
 
 ZnSO4:7H2O
-       ZnSO4:7H2O  =  + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O
-        log_k           -1.8683
-	-delta_H	14.0417	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:7H2O
+       ZnSO4:7H2O = SO4-2 + Zn+2 + 7 H2O
+        log_k -1.8683
+	-delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O
 #	Enthalpy of formation:	-3077.9 kJ/mol
-        -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001
+        -analytic -1.6943e+2 -1.8833e-2 5.6484e+3 6.2326e+1 9.5975e+1
 #       -Range:  0-200
 
 ZnSO4:H2O
-       ZnSO4:H2O  =  + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++
-        log_k           -0.5383
-	-delta_H	-44.2824	kJ/mol	# Calculated enthalpy of reaction	ZnSO4:H2O
+       ZnSO4:H2O = H2O + SO4-2 + Zn+2
+        log_k -0.5383
+	-delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O
 #	Enthalpy of formation:	-1304.54 kJ/mol
-        -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001
+        -analytic -1.7908e+1 -1.8228e-2 1.5811e+3 7.0677e+0 2.6856e+1
 #       -Range:  0-200
 
 ZnSeO3:H2O
-       ZnSeO3:H2O  =  + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++
-        log_k           -6.7408
-	-delta_H	-17.9056	kJ/mol	# Calculated enthalpy of reaction	ZnSeO3:H2O
+       ZnSeO3:H2O = H2O + SeO3-2 + Zn+2
+        log_k -6.7408
+	-delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O
 #	Enthalpy of formation:	-930.511 kJ/mol
-        -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000
+        -analytic -1.8569e+1 -1.9929e-2 6.4377e+1 7.0892e+0 1.0996e+0
 #       -Range:  0-200
 
 Zoisite
-        Ca2Al3(SiO4)3OH +13.0000 H+  =  + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
-        log_k           43.3017
-	-delta_H	-458.131	kJ/mol	# Calculated enthalpy of reaction	Zoisite
+        Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
+        log_k 43.3017
+	-delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite
 #	Enthalpy of formation:	-1643.69 kcal/mol
-        -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002
+        -analytic 2.5321e+0 -3.5886e-2 1.9902e+4 -6.2443e+0 3.1055e+2
 #       -Range:  0-300
 
 Zr
-       Zr +2.0000 H+ +1.0000 O2  =  + 1.0000 Zr(OH)2++
-        log_k           177.6471
-	-delta_H	-1078.71	kJ/mol	# Calculated enthalpy of reaction	Zr
+       Zr + 2 H+ + O2 = Zr(OH)2+2
+        log_k 177.6471
+	-delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005
+        -analytic -2.836e+1 -1.5214e-2 5.8045e+4 7.8012e+0 -3.0657e+5
 #       -Range:  0-300
 
 ZrB2
-       ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2  =  + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++
-        log_k           103.4666
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrB2
+       ZrB2 + 3 H+ + 2 H2O + 0.5 O2 = B(OH)3 + BH4- + Zr+4
+        log_k 103.4666
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2
 #	Enthalpy of formation:	-326.628 kJ/mol
 
 ZrC
-       ZrC +3.0000 H+ +2.0000 O2  =  + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++
-        log_k           207.0906
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrC
+       ZrC + 3 H+ + 2 O2 = H2O + HCO3- + Zr+4
+        log_k 207.0906
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrC
 #	Enthalpy of formation:	-203.008 kJ/mol
 
 ZrCl
-       ZrCl +3.0000 H+ +0.7500 O2  =  + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O
-        log_k           130.9450
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl
+       ZrCl + 3 H+ + 0.75 O2 = Cl- + Zr+4 + 1.5 H2O
+        log_k 130.945
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl
 #	Enthalpy of formation:	-303.211 kJ/mol
 
 ZrCl2
-       ZrCl2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl-
-        log_k           96.3205
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl2
+       ZrCl2 + 2 H+ + 0.5 O2 = H2O + Zr+4 + 2 Cl-
+        log_k 96.3205
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2
 #	Enthalpy of formation:	-531.021 kJ/mol
 
 ZrCl3
-       ZrCl3 +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl-
-        log_k           62.4492
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl3
+       ZrCl3 + H+ + 0.25 O2 = 0.5 H2O + Zr+4 + 3 Cl-
+        log_k 62.4492
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3
 #	Enthalpy of formation:	-754.997 kJ/mol
 
 ZrCl4
-       ZrCl4  =  + 1.0000 Zr++++ + 4.0000 Cl-
-        log_k           27.9824
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrCl4
+       ZrCl4 = Zr+4 + 4 Cl-
+        log_k 27.9824
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4
 #	Enthalpy of formation:	-980.762 kJ/mol
 
 ZrF4(beta)
-       ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-
-        log_k           -27.7564
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(beta)
+       ZrF4 = Zr+4 + 4 F-
+        log_k -27.7564
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta)
 #	Enthalpy of formation:	-1911.26 kJ/mol
 
 ZrH2
-       ZrH2 +4.0000 H+ +1.5000 O2  =  + 1.0000 Zr++++ + 3.0000 H2O
-        log_k           198.3224
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrH2
+       ZrH2 + 4 H+ + 1.5 O2 = Zr+4 + 3 H2O
+        log_k 198.3224
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2
 #	Enthalpy of formation:	-168.946 kJ/mol
 
 ZrN
-       ZrN +4.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++
-        log_k           59.1271
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrN
+       ZrN + 4 H+ + 0.25 O2 = 0.5 H2O + NH3 + Zr+4
+        log_k 59.1271
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrN
 #	Enthalpy of formation:	-365 kJ/mol
 
 O-phthalic_acid
-       H2O_phthalate =  + 1.0000 O_phthalate-2 + 2.0000 H+
-        log_k           -9.7755
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	O-phthalic_acid
+       H2O_phthalate = O_phthalate-2 + 2 H+
+        log_k -9.7755
+	-delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid
 #	Enthalpy of formation:	-186.88 kJ/mol
-        -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001
+        -analytic 7.345e+1 1.9477e-2 -3.6511e+3 -3.1035e+1 -6.2027e+1
 #       -Range:  0-200
 Br2(l)
-       Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+
-        log_k           -6.5419
-	-delta_H	36.7648	kJ/mol	# Calculated enthalpy of reaction	Br2(l)
+       Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+
+        log_k -6.5419
+	-delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l)
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001
+        -analytic -1.5875e+2 -5.8039e-2 1.5583e+3 6.6381e+1 2.4362e+1
 #       -Range:  0-300
 
 Hg(l)
-       Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++
-        log_k           14.1505
-	-delta_H	-109.608	kJ/mol	# Calculated enthalpy of reaction	Hg(l)
+       Hg + 2 H+ + 0.5 O2 = H2O + Hg+2
+        log_k 14.1505
+	-delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002
+        -analytic -6.6462e+1 -1.8504e-2 7.3141e+3 2.4888e+1 1.1415e+2
 #       -Range:  0-300
 
 Ag(g)
-        Ag +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Ag+ 
-        log_k           51.0924
-	-delta_H	-319.035	kJ/mol	# Calculated enthalpy of reaction	Ag(g)
+        Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+
+        log_k 51.0924
+	-delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g)
 #	Enthalpy of formation:	284.9 kJ/mol
-        -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000
+        -analytic -5.8006e+0 1.7178e-3 1.6809e+4 0e+0 0e+0
 #       -Range:  0-200
 
 Al(g)
-        Al +3.0000 H+ +0.7500 O2  =  + 1.0000 Al+++ + 1.5000 H2O 
-        log_k           200.6258
-	-delta_H	-1288.06	kJ/mol	# Calculated enthalpy of reaction	Al(g)
+        Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
+        log_k 200.6258
+	-delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g)
 #	Enthalpy of formation:	330 kJ/mol
-        -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003
+        -analytic 9.6402e+0 -6.9301e-3 6.527e+4 -1.0461e+1 1.1084e+3
 #       -Range:  0-200
 
 Am(g)
-        Am +3.0000 H+ +0.7500 O2  =  + 1.0000 Am+++ + 1.5000 H2O 
-        log_k           211.7865
-	-delta_H	-1320.16	kJ/mol	# Calculated enthalpy of reaction	Am(g)
+        Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O
+        log_k 211.7865
+	-delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g)
 #	Enthalpy of formation:	283.8 kJ/mol
-        -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000
+        -analytic -1.4236e+1 -8.756e-3 6.8166e+4 0e+0 0e+0
 #       -Range:  0-300
 
 AmF3(g)
-        AmF3  =  + 1.0000 Am+++ + 3.0000 F-     
-        log_k           49.8631
-	-delta_H	-455.843	kJ/mol	# Calculated enthalpy of reaction	AmF3(g)
+        AmF3 = Am+3 + 3 F-
+        log_k 49.8631
+	-delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g)
 #	Enthalpy of formation:	-1166.9 kJ/mol
-        -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002
+        -analytic -4.7209e+1 -3.644e-2 2.2278e+4 1.3418e+1 3.7833e+2
 #       -Range:  0-200
 
 Ar(g)
-        Ar  =  + 1.0000 Ar       
-        log_k           -2.8587
-	-delta_H	-12.0081	kJ/mol	# Calculated enthalpy of reaction	Ar(g)
+        Ar = Ar
+        log_k -2.8587
+	-delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005
+        -analytic -7.4387e+0 7.8991e-3 0e+0 0e+0 1.983e+5
 #       -Range:  0-300
 
 B(g)
-        B +1.5000 H2O +0.7500 O2  =  + 1.0000 B(OH)3   
-        log_k           200.8430
-	-delta_H	-1201.68	kJ/mol	# Calculated enthalpy of reaction	B(g)
+        B + 1.5 H2O + 0.75 O2 = B(OH)3
+        log_k 200.843
+	-delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g)
 #	Enthalpy of formation:	565 kJ/mol
-        -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002
+        -analytic 1.0834e+2 1.0606e-2 5.815e+4 -4.272e+1 9.8743e+2
 #       -Range:  0-200
 
 BF3(g)
-        BF3 +3.0000 H2O  =  + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+ 
-        log_k           -2.9664
-	-delta_H	-87.0627	kJ/mol	# Calculated enthalpy of reaction	BF3(g)
+        BF3 + 3 H2O = B(OH)3 + 3 F- + 3 H+
+        log_k -2.9664
+	-delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g)
 #	Enthalpy of formation:	-1136 kJ/mol
-        -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000
+        -analytic 5.2848e+1 -2.4617e-2 -1.8159e+2 -1.935e+1 -3.1018e+0
 #       -Range:  0-200
 
 Be(g)
-        Be +2.0000 H+ +0.5000 O2  =  + 1.0000 Be++ + 1.0000 H2O 
-        log_k           361.9343
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Be(g)
+        Be + 2 H+ + 0.5 O2 = Be+2 + H2O
+        log_k 361.9343
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Be(g)
 #	Enthalpy of formation:	0 kcal/mol
 
 Br2(g)
-        Br2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ 
-        log_k           -5.9979
-	-delta_H	5.85481	kJ/mol	# Calculated enthalpy of reaction	Br2(g)
+        Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+
+        log_k -5.9979
+	-delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g)
 #	Enthalpy of formation:	30.91 kJ/mol
-        -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001
+        -analytic -3.2403e+0 -1.7609e-2 -1.4941e+3 3.03e+0 -2.537e+1
 #       -Range:  0-200
 
 C(g)
-        C +1.0000 H2O +1.0000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
-        log_k           181.7723
-	-delta_H	-1108.64	kJ/mol	# Calculated enthalpy of reaction	C(g)
+        C + H2O + O2 = H+ + HCO3-
+        log_k 181.7723
+	-delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g)
 #	Enthalpy of formation:	716.68 kJ/mol
-        -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002
+        -analytic 1.0485e+2 1.7907e-3 5.2768e+4 -4.0661e+1 8.9605e+2
 #       -Range:  0-200
 
 Ethylene(g)
-        Ethylene  =  + 1.0000 Ethylene 
-        log_k           -2.3236
-	-delta_H	-16.4431	kJ/mol	# Calculated enthalpy of reaction	Ethylene(g)
+        Ethylene = Ethylene
+        log_k -2.3236
+	-delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g)
 #	Enthalpy of formation:	12.5 kcal/mol
-        -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005
+        -analytic -7.5368e+0 8.4676e-3 0e+0 0e+0 2.3971e+5
 #       -Range:  0-300
 
 CH4(g)
-        CH4  =  + 1.0000 CH4 
-        log_k           -2.8502
-	-delta_H	-13.0959	kJ/mol	# Calculated enthalpy of reaction	CH4(g)
+        CH4 = CH4
+        log_k -2.8502
+	-delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
 #	Enthalpy of formation:	-17.88 kcal/mol
-        -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
+        -analytic -2.4027e+1 4.7146e-3 3.7227e+2 6.4264e+0 2.3362e+5
 #       -Range:  0-300
 
 CO(g)
-#        CO +1.0000 H2O +0.5000 O2  =  + 1.0000 H+ + 1.0000 HCO3- 
+#        CO +1.0000 H2O +0.5000 O2  =  + 1.0000 H+ + 1.0000 HCO3-
 #        log_k           38.6934
 #        -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002
 #       -Range:  0-300
 	CO = CO
-	log_k	-3.0068
-	-delta_H	-10.4349	kJ/mol	# Calculated enthalpy of reaction	CO(g)
+	log_k -3.0068
+	-delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g)
 #	Enthalpy of formation:	-26.416 kcal/mol
-	-analytic   -8.0849e+000    9.2114e-003    0.0000e+000    0.0000e+000    2.0813e+005
+	-analytic -8.0849e+0 9.2114e-3 0e+0 0e+0 2.0813e+5
 #       -Range:  0-300
 
 CO2(g)
-        CO2 +1.0000 H2O  =  + 1.0000 H+ + 1.0000 HCO3-   
-        log_k           -7.8136
-	-delta_H	-10.5855	kJ/mol	# Calculated enthalpy of reaction	CO2(g)
+        CO2 + H2O = H+ + HCO3-
+        log_k -7.8136
+	-delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g)
 #	Enthalpy of formation:	-94.051 kcal/mol
-        -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001
+        -analytic -8.5938e+1 -3.0431e-2 2.0702e+3 3.2427e+1 3.2328e+1
 #       -Range:  0-300
 
 Ca(g)
-        Ca +2.0000 H+ +0.5000 O2  =  + 1.0000 Ca++ + 1.0000 H2O 
-        log_k           165.0778
-	-delta_H	-1000.65	kJ/mol	# Calculated enthalpy of reaction	Ca(g)
+        Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O
+        log_k 165.0778
+	-delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g)
 #	Enthalpy of formation:	177.8 kJ/mol
-        -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000
+        -analytic -7.3029e+0 -4.8208e-3 5.1822e+4 0e+0 0e+0
 #       -Range:  0-200
 
 Cd(g)
-        Cd +2.0000 H+ +0.5000 O2  =  + 1.0000 Cd++ + 1.0000 H2O 
-        log_k           70.1363
-	-delta_H	-467.469	kJ/mol	# Calculated enthalpy of reaction	Cd(g)
+        Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O
+        log_k 70.1363
+	-delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g)
 #	Enthalpy of formation:	111.8 kJ/mol
-        -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000
+        -analytic -9.8665e+0 -3.0921e-3 2.4126e+4 0e+0 0e+0
 #       -Range:  0-200
 
 Cl2(g)
-        Cl2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+ 
-        log_k           3.0004
-	-delta_H	-54.3878	kJ/mol	# Calculated enthalpy of reaction	Cl2(g)
+        Cl2 + H2O = 0.5 O2 + 2 Cl- + 2 H+
+        log_k 3.0004
+	-delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g)
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001
+        -analytic -1.9456e+1 -2.1491e-2 2.0652e+3 8.8629e+0 3.5076e+1
 #       -Range:  0-200
 
 Cs(g)
-        Cs +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Cs+ 
-        log_k           81.2805
-	-delta_H	-474.413	kJ/mol	# Calculated enthalpy of reaction	Cs(g)
+        Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+
+        log_k 81.2805
+	-delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g)
 #	Enthalpy of formation:	76.5 kJ/mol
-        -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002
+        -analytic 4.1676e+1 9.1952e-3 2.3401e+4 -1.6824e+1 3.9736e+2
 #       -Range:  0-200
 
 Cu(g)
-        Cu +2.0000 H+ +0.5000 O2  =  + 1.0000 Cu++ + 1.0000 H2O 
-        log_k           83.6618
-	-delta_H	-551.483	kJ/mol	# Calculated enthalpy of reaction	Cu(g)
+        Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
+        log_k 83.6618
+	-delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g)
 #	Enthalpy of formation:	337.4 kJ/mol
-        -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000
+        -analytic -1.1249e+1 -2.7585e-3 2.8541e+4 0e+0 0e+0
 #       -Range:  0-200
 
 F2(g)
-        F2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 F- + 2.0000 H+ 
-        log_k           55.7197
-	-delta_H	-390.924	kJ/mol	# Calculated enthalpy of reaction	F2(g)
+        F2 + H2O = 0.5 O2 + 2 F- + 2 H+
+        log_k 55.7197
+	-delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g)
 #	Enthalpy of formation:	0 kJ/mol
-        -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002
+        -analytic -3.2664e+1 -2.1035e-2 1.9974e+4 1.1174e+1 3.392e+2
 #       -Range:  0-200
 
 H2(g)
-#        H2 +0.5000 O2  =  + 1.0000 H2O     
+#        H2 +0.5000 O2  =  + 1.0000 H2O
 #        log_k           43.0016
 #        -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004
 #       -Range:  0-300
 	H2 = H2
-	log_k	-3.1050
-	-delta_H	-4.184	kJ/mol	# Calculated enthalpy of reaction	H2(g)
+	log_k -3.105
+	-delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g)
 #	Enthalpy of formation:	0 kcal/mol
-	-analytic   -9.3114e+000    4.6473e-003   -4.9335e+001    1.4341e+000    1.2815e+005
+	-analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5
 #	-Range:	0-300
 
 H2O(g)
-        H2O  =  + 1.0000 H2O       
-        log_k           1.5854
-	-delta_H	-43.4383	kJ/mol	# Calculated enthalpy of reaction	H2O(g)
+        H2O = H2O
+        log_k 1.5854
+	-delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g)
 #	Enthalpy of formation:	-57.935 kcal/mol
-        -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001
+        -analytic -1.4782e+1 1.0752e-3 2.7519e+3 2.7548e+0 4.2945e+1
 #       -Range:  0-300
 
 H2S(g)
-        H2S  =  + 1.0000 H+ + 1.0000 HS-     
-        log_k           -7.9759
-	-delta_H	4.5229	kJ/mol	# Calculated enthalpy of reaction	H2S(g)
+        H2S = H+ + HS-
+        log_k -7.9759
+	-delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g)
 #	Enthalpy of formation:	-4.931 kcal/mol
-        -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
+        -analytic -9.7354e+1 -3.1576e-2 1.8285e+3 3.744e+1 2.856e+1
 #       -Range:  0-300
 
 HBr(g)
-        HBr  =  + 1.0000 Br- + 1.0000 H+     
-        log_k           8.8815
-	-delta_H	-85.2134	kJ/mol	# Calculated enthalpy of reaction	HBr(g)
+        HBr = Br- + H+
+        log_k 8.8815
+	-delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g)
 #	Enthalpy of formation:	-36.29 kJ/mol
-        -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001
+        -analytic 8.1303e+0 -6.6641e-3 3.3951e+3 -3.4973e+0 5.7651e+1
 #       -Range:  0-200
 
 HCl(g)
-        HCl  =  + 1.0000 Cl- + 1.0000 H+     
-        log_k           6.3055
-	-delta_H	-74.7697	kJ/mol	# Calculated enthalpy of reaction	HCl(g)
+        HCl = Cl- + H+
+        log_k 6.3055
+	-delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g)
 #	Enthalpy of formation:	-92.31 kJ/mol
-        -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001
+        -analytic -2.8144e-1 -8.6776e-3 3.0668e+3 -4.5105e-1 5.2078e+1
 #       -Range:  0-200
 
 HF(g)
-        HF  =  + 1.0000 F- + 1.0000 H+     
-        log_k           1.1126
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
+        HF = F- + H+
+        log_k 1.1126
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
 #	Enthalpy of formation:	619.234 kJ/mol
-        -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001
+        -analytic -8.5783e+0 -8.844e-3 2.6279e+3 1.418e+0 4.4628e+1
 #       -Range:  0-200
 
 HI(g)
-        HI  =  + 1.0000 H+ + 1.0000 I-     
-        log_k           9.3944
-	-delta_H	-83.4024	kJ/mol	# Calculated enthalpy of reaction	HI(g)
+        HI = H+ + I-
+        log_k 9.3944
+	-delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g)
 #	Enthalpy of formation:	26.5 kJ/mol
-        -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000
+        -analytic 5.825e-3 -8.7146e-3 3.5728e+3 0e+0 0e+0
 #       -Range:  0-200
 
 He(g)
-        He  =  + 1.0000 He       
-        log_k           -3.4143
-	-delta_H	-0.6276	kJ/mol	# Calculated enthalpy of reaction	He(g)
+        He = He
+        log_k -3.4143
+	-delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004
+        -analytic -1.3402e+1 4.6358e-3 1.8295e+2 2.807e+0 9.3373e+4
 #       -Range:  0-300
 
 Hf(g)
-        Hf +4.0000 H+ +1.0000 O2  =  + 1.0000 Hf++++ + 2.0000 H2O 
-        log_k           290.9782
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Hf(g)
+        Hf + 4 H+ + O2 = Hf+4 + 2 H2O
+        log_k 290.9782
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
 #	Enthalpy of formation:	0 kJ/mol
 
 Hg(g)
-        Hg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Hg++ 
-        log_k           19.7290
-	-delta_H	-170.988	kJ/mol	# Calculated enthalpy of reaction	Hg(g)
+        Hg + 2 H+ + 0.5 O2 = H2O + Hg+2
+        log_k 19.729
+	-delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g)
 #	Enthalpy of formation:	61.38 kJ/mol
-        -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002
+        -analytic -1.6232e+1 -3.2863e-3 8.9831e+3 2.7505e+0 1.5255e+2
 #       -Range:  0-200
 
 I2(g)
-        I2 +1.0000 H2O  =  + 0.5000 O2 + 2.0000 H+ + 2.0000 I- 
-        log_k           -21.4231
-	-delta_H	103.547	kJ/mol	# Calculated enthalpy of reaction	I2(g)
+        I2 + H2O = 0.5 O2 + 2 H+ + 2 I-
+        log_k -21.4231
+	-delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g)
 #	Enthalpy of formation:	62.42 kJ/mol
-        -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002
+        -analytic -2.0271e+1 -2.189e-2 -6.0267e+3 1.0339e+1 -1.0233e+2
 #       -Range:  0-200
 
 K(g)
-        K +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 K+ 
-        log_k           81.5815
-	-delta_H	-481.055	kJ/mol	# Calculated enthalpy of reaction	K(g)
+        K + H+ + 0.25 O2 = 0.5 H2O + K+
+        log_k 81.5815
+	-delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g)
 #	Enthalpy of formation:	89 kJ/mol
-        -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002
+        -analytic 1.0278e+1 3.07e-3 2.4729e+4 -5.0763e+0 4.1994e+2
 #       -Range:  0-200
 
 Kr(g)
-        Kr  =  + 1.0000 Kr       
-        log_k           -2.6051
-	-delta_H	-15.2716	kJ/mol	# Calculated enthalpy of reaction	Kr(g)
+        Kr = Kr
+        log_k -2.6051
+	-delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005
+        -analytic -2.1251e+1 4.8308e-3 4.2971e+2 5.3591e+0 2.2304e+5
 #       -Range:  0-300
 
 Li(g)
-        Li +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Li+ 
-        log_k           94.9423
-	-delta_H	-577.639	kJ/mol	# Calculated enthalpy of reaction	Li(g)
+        Li + H+ + 0.25 O2 = 0.5 H2O + Li+
+        log_k 94.9423
+	-delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g)
 #	Enthalpy of formation:	159.3 kJ/mol
-        -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002
+        -analytic -2.5692e+1 -1.4385e-3 3.0936e+4 6.9899e+0 5.2535e+2
 #       -Range:  0-200
 
 Mg(g)
-        Mg +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Mg++ 
-        log_k           142.2494
-	-delta_H	-892.831	kJ/mol	# Calculated enthalpy of reaction	Mg(g)
+        Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
+        log_k 142.2494
+	-delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g)
 #	Enthalpy of formation:	147.1 kJ/mol
-        -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002
+        -analytic -1.347e+0 -7.7402e-4 4.5992e+4 -4.2207e+0 7.8101e+2
 #       -Range:  0-200
 
 N2(g)
-#        N2 +3.0000 H2O  =  + 1.5000 O2 + 2.0000 NH3   
+#        N2 +3.0000 H2O  =  + 1.5000 O2 + 2.0000 NH3
 #        log_k           -119.6473
 #        -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005
 #       -Range:  0-300
 	N2 = N2
-	log_k 		-3.1864 
-	-delta_H	-10.4391	kJ/mol	# Calculated enthalpy of reaction	N2(g)
+	log_k -3.1864
+	-delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.6452e+000    7.9606e-003    0.0000e+000    0.0000e+000    1.8604e+005
+        -analytic -7.6452e+0 7.9606e-3 0e+0 0e+0 1.8604e+5
 #       -Range:  0-300
 NH3(g)
-        NH3  =  + 1.0000 NH3       
-        log_k           1.7966
-	-delta_H	-35.2251	kJ/mol	# Calculated enthalpy of reaction	NH3(g)
+        NH3 = NH3
+        log_k 1.7966
+	-delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g)
 #	Enthalpy of formation:	-11.021 kcal/mol
-        -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001
+        -analytic -1.8758e+1 3.367e-4 2.5113e+3 4.8619e+0 3.9192e+1
 #       -Range:  0-300
 
 NO(g)
-        NO +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO2- 
-        log_k           0.7554
-	-delta_H	-48.8884	kJ/mol	# Calculated enthalpy of reaction	NO(g)
+        NO + 0.5 H2O + 0.25 O2 = H+ + NO2-
+        log_k 0.7554
+	-delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g)
 #	Enthalpy of formation:	90.241 kJ/mol
-        -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001
+        -analytic 8.2147e+0 -1.2708e-1 -6.0593e+3 2.0504e+1 -9.4551e+1
 #       -Range:  0-300
 
 NO2(g)
-        NO2 +0.5000 H2O +0.2500 O2  =  + 1.0000 H+ + 1.0000 NO3- 
-        log_k           8.3673
-	-delta_H	-94.0124	kJ/mol	# Calculated enthalpy of reaction	NO2(g)
+        NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3-
+        log_k 8.3673
+	-delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g)
 #	Enthalpy of formation:	33.154 kJ/mol
-        -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002
+        -analytic 9.4389e+1 -2.7511e-1 -1.6783e+4 2.1127e+1 -2.6191e+2
 #       -Range:  0-300
 
 Na(g)
-        Na +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Na+ 
-        log_k           80.8640
-	-delta_H	-487.685	kJ/mol	# Calculated enthalpy of reaction	Na(g)
+        Na + H+ + 0.25 O2 = 0.5 H2O + Na+
+        log_k 80.864
+	-delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g)
 #	Enthalpy of formation:	107.5 kJ/mol
-        -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000
+        -analytic -6.0156e+0 2.4712e-3 2.5682e+4 0e+0 0e+0
 #       -Range:  0-200
 
 Ne(g)
-        Ne  =  + 1.0000 Ne       
-        log_k           -3.3462
-	-delta_H	-3.64008	kJ/mol	# Calculated enthalpy of reaction	Ne(g)
+        Ne = Ne
+        log_k -3.3462
+	-delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005
+        -analytic -6.5169e+0 6.3991e-3 0e+0 0e+0 1.1271e+5
 #       -Range:  0-300
 
 O2(g)
-        O2  =  + 1.0000 O2       
-        log_k           -2.8983
-	-delta_H	-12.1336	kJ/mol	# Calculated enthalpy of reaction	O2(g)
+        O2 = O2
+        log_k -2.8983
+	-delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
+        -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
 #       -Range:  0-300
 
 Pb(g)
-        Pb +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Pb++ 
-        log_k           75.6090
-	-delta_H	-474.051	kJ/mol	# Calculated enthalpy of reaction	Pb(g)
+        Pb + 2 H+ + 0.5 O2 = H2O + Pb+2
+        log_k 75.609
+	-delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g)
 #	Enthalpy of formation:	195.2 kJ/mol
-        -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002
+        -analytic 2.5752e+1 2.1307e-3 2.3397e+4 -1.1825e+1 3.973e+2
 #       -Range:  0-200
 
 Rb(g)
-        Rb +1.0000 H+ +0.2500 O2  =  + 0.5000 H2O + 1.0000 Rb+ 
-        log_k           80.4976
-	-delta_H	-471.909	kJ/mol	# Calculated enthalpy of reaction	Rb(g)
+        Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+
+        log_k 80.4976
+	-delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g)
 #	Enthalpy of formation:	80.9 kJ/mol
-        -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002
+        -analytic 2.6839e+1 5.9775e-3 2.372e+4 -1.1189e+1 4.0279e+2
 #       -Range:  0-200
 
 Rn(g)
-        Rn  =  + 1.0000 Rn       
-        log_k           -2.0451
-	-delta_H	-20.92	kJ/mol	# Calculated enthalpy of reaction	Rn(g)
+        Rn = Rn
+        log_k -2.0451
+	-delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005
+        -analytic -3.0258e+1 4.9893e-3 1.4118e+2 8.8798e+0 3.8095e+5
 #       -Range:  0-300
 
 RuCl3(g)
-        RuCl3  =  + 1.0000 Ru+++ + 3.0000 Cl-     
-        log_k           41.5503
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	RuCl3(g)
+        RuCl3 = Ru+3 + 3 Cl-
+        log_k 41.5503
+	-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g)
 #	Enthalpy of formation:	16.84 kJ/mol
 
 RuO3(g)
-        RuO3 +1.0000 H2O  =  + 1.0000 RuO4-- + 2.0000 H+   
-        log_k           2.3859
-	-delta_H	-100.369	kJ/mol	# Calculated enthalpy of reaction	RuO3(g)
+        RuO3 + H2O = RuO4-2 + 2 H+
+        log_k 2.3859
+	-delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g)
 #	Enthalpy of formation:	-70.868 kJ/mol
-        -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001
+        -analytic 1.1106e+2 1.7191e-2 6.8526e+2 -4.6922e+1 1.1598e+1
 #       -Range:  0-200
 
 S2(g)
-        S2 +2.0000 H2O  =  + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+ 
-        log_k           -7.1449
-	-delta_H	-35.656	kJ/mol	# Calculated enthalpy of reaction	S2(g)
+        S2 + 2 H2O = 0.5 SO4-2 + 1.5 HS- + 2.5 H+
+        log_k -7.1449
+	-delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g)
 #	Enthalpy of formation:	30.681 kcal/mol
-        -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001
+        -analytic -1.8815e+2 -7.7069e-2 4.8816e+3 7.5802e+1 7.6228e+1
 #       -Range:  0-300
 
 SO2(g)
 	SO2 = SO2
-	log_k	0.1700
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SO2(g)
+	log_k 0.17
+	-delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g)
 #	Enthalpy of formation:	0 kcal/mol
-	-analytic   -2.0205e+001    2.8861e-003    1.4862e+003    5.2958e+000    1.2721e+005
+	-analytic -2.0205e+1 2.8861e-3 1.4862e+3 5.2958e+0 1.2721e+5
 #       -Range:  0-300
 
 Si(g)
-        Si +1.0000 O2  =  + 1.0000 SiO2     
-        log_k           219.9509
-	-delta_H	-1315.57	kJ/mol	# Calculated enthalpy of reaction	Si(g)
+        Si + O2 = SiO2
+        log_k 219.9509
+	-delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g)
 #	Enthalpy of formation:	450 kJ/mol
-        -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002
+        -analytic 4.1998e+2 8.0113e-2 5.4468e+4 -1.6433e+2 9.248e+2
 #       -Range:  0-200
 
 SiF4(g)
-        SiF4 +2.0000 H2O  =  + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+ 
-        log_k           -15.1931
-	-delta_H	-32.4123	kJ/mol	# Calculated enthalpy of reaction	SiF4(g)
+        SiF4 + 2 H2O = SiO2 + 4 F- + 4 H+
+        log_k -15.1931
+	-delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g)
 #	Enthalpy of formation:	-1615 kJ/mol
-        -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002
+        -analytic 3.4941e+2 3.3668e-2 -1.278e+4 -1.341e+2 -2.1714e+2
 #       -Range:  0-200
 
 Sn(g)
-        Sn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Sn++ 
-        log_k           94.5019
-	-delta_H	-589.758	kJ/mol	# Calculated enthalpy of reaction	Sn(g)
+        Sn + 2 H+ + 0.5 O2 = H2O + Sn+2
+        log_k 94.5019
+	-delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g)
 #	Enthalpy of formation:	301.2 kJ/mol
-        -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002
+        -analytic 1.4875e+1 -5.6877e-5 2.9728e+4 -8.1131e+0 5.0482e+2
 #       -Range:  0-200
 
 Tc2O7(g)
-        Tc2O7 +1.0000 H2O  =  + 2.0000 H+ + 2.0000 TcO4-   
-        log_k           21.3593
-	-delta_H	-158.131	kJ/mol	# Calculated enthalpy of reaction	Tc2O7(g)
+        Tc2O7 + H2O = 2 H+ + 2 TcO4-
+        log_k 21.3593
+	-delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g)
 #	Enthalpy of formation:	-988.569 kJ/mol
-        -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001
+        -analytic 7.414e+1 1.5668e-2 5.636e+3 -3.086e+1 9.5682e+1
 #       -Range:  0-200
 
 Th(g)
-        Th +4.0000 H+ +1.0000 O2  =  + 1.0000 Th++++ + 2.0000 H2O 
-        log_k           307.8413
-	-delta_H	-1930.56	kJ/mol	# Calculated enthalpy of reaction	Th(g)
+        Th + 4 H+ + O2 = Th+4 + 2 H2O
+        log_k 307.8413
+	-delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g)
 #	Enthalpy of formation:	602 kJ/mol
-        -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003
+        -analytic 1.8496e+1 2.7318e-3 9.8807e+4 -1.7332e+1 1.6779e+3
 #       -Range:  0-200
 
 Ti(g)
-        Ti +2.0000 H2O +1.0000 O2  =  + 1.0000 Ti(OH)4   
-        log_k           224.3510
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ti(g)
+        Ti + 2 H2O + O2 = Ti(OH)4
+        log_k 224.351
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g)
 #	Enthalpy of formation:	473 kJ/mol
 
 TiBr4(g)
-        TiBr4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ 
-        log_k           36.6695
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiBr4(g)
+        TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+
+        log_k 36.6695
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g)
 #	Enthalpy of formation:	-549.339 kJ/mol
 
 TiCl4(g)
-        TiCl4 +4.0000 H2O  =  + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+ 
-        log_k           28.0518
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiCl4(g)
+        TiCl4 + 4 H2O = Ti(OH)4 + 4 Cl- + 4 H+
+        log_k 28.0518
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g)
 #	Enthalpy of formation:	-763.2 kJ/mol
 
 TiO(g)
-        TiO +2.0000 H2O +0.5000 O2  =  + 1.0000 Ti(OH)4   
-        log_k           145.5711
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	TiO(g)
+        TiO + 2 H2O + 0.5 O2 = Ti(OH)4
+        log_k 145.5711
+	-delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g)
 #	Enthalpy of formation:	17.144 kJ/mol
 
 U(g)
-        U +2.0000 H+ +1.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           298.3441
-	-delta_H	-1819.64	kJ/mol	# Calculated enthalpy of reaction	U(g)
+        U + 2 H+ + 1.5 O2 = H2O + UO2+2
+        log_k 298.3441
+	-delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g)
 #	Enthalpy of formation:	533 kJ/mol
-        -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003
+        -analytic 3.7536e+1 -6.3804e-3 9.2048e+4 -1.8614e+1 1.4363e+3
 #       -Range:  0-300
 
 U2Cl10(g)
-        U2Cl10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl- 
-        log_k           82.7621
-	-delta_H	-609.798	kJ/mol	# Calculated enthalpy of reaction	U2Cl10(g)
+        U2Cl10 + 4 H2O = 2 UO2+ + 8 H+ + 10 Cl-
+        log_k 82.7621
+	-delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g)
 #	Enthalpy of formation:	-1967.9 kJ/mol
-        -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002
+        -analytic -7.5513e+2 -3.007e-1 4.5824e+4 3.1267e+2 7.1526e+2
 #       -Range:  0-300
 
 U2Cl8(g)
-        U2Cl8  =  + 2.0000 U++++ + 8.0000 Cl-     
-        log_k           82.4059
-	-delta_H	-769.437	kJ/mol	# Calculated enthalpy of reaction	U2Cl8(g)
+        U2Cl8 = 2 U+4 + 8 Cl-
+        log_k 82.4059
+	-delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g)
 #	Enthalpy of formation:	-1749.6 kJ/mol
-        -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002
+        -analytic -7.4441e+2 -2.6943e-1 5.4358e+4 2.9287e+2 8.4843e+2
 #       -Range:  0-300
 
 U2F10(g)
-        U2F10 +4.0000 H2O  =  + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F- 
-        log_k           -12.2888
-	-delta_H	-239.377	kJ/mol	# Calculated enthalpy of reaction	U2F10(g)
+        U2F10 + 4 H2O = 2 UO2+ + 8 H+ + 10 F-
+        log_k -12.2888
+	-delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g)
 #	Enthalpy of formation:	-4021 kJ/mol
-        -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002
+        -analytic -9.1542e+2 -3.204e-1 3.1047e+4 3.6143e+2 4.8473e+2
 #       -Range:  0-300
 
 UBr(g)
-        UBr +1.0000 O2  =  + 1.0000 Br- + 1.0000 UO2+   
-        log_k           224.8412
-	-delta_H	-1381.5	kJ/mol	# Calculated enthalpy of reaction	UBr(g)
+        UBr + O2 = Br- + UO2+
+        log_k 224.8412
+	-delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g)
 #	Enthalpy of formation:	247 kJ/mol
-        -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006
+        -analytic -3.1193e+2 -6.3059e-2 8.7633e+4 1.1032e+2 -1.0104e+6
 #       -Range:  0-300
 
 UBr2(g)
-        UBr2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Br-   
-        log_k           192.6278
-	-delta_H	-1218.87	kJ/mol	# Calculated enthalpy of reaction	UBr2(g)
+        UBr2 + O2 = UO2+2 + 2 Br-
+        log_k 192.6278
+	-delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g)
 #	Enthalpy of formation:	-31 kJ/mol
-        -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003
+        -analytic -1.2277e+2 -6.4613e-2 6.4196e+4 4.8209e+1 1.0018e+3
 #       -Range:  0-300
 
 UBr3(g)
-        UBr3  =  + 1.0000 U+++ + 3.0000 Br-     
-        log_k           67.8918
-	-delta_H	-489.61	kJ/mol	# Calculated enthalpy of reaction	UBr3(g)
+        UBr3 = U+3 + 3 Br-
+        log_k 67.8918
+	-delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g)
 #	Enthalpy of formation:	-364 kJ/mol
-        -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002
+        -analytic -2.5784e+2 -9.7583e-2 3.0225e+4 1.024e+2 4.7171e+2
 #       -Range:  0-300
 
 UBr4(g)
-        UBr4  =  + 1.0000 U++++ + 4.0000 Br-     
-        log_k           54.2926
-	-delta_H	-467.113	kJ/mol	# Calculated enthalpy of reaction	UBr4(g)
+        UBr4 = U+4 + 4 Br-
+        log_k 54.2926
+	-delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g)
 #	Enthalpy of formation:	-610.1 kJ/mol
-        -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002
+        -analytic -3.5205e+2 -1.2867e-1 3.0898e+4 1.3781e+2 4.8223e+2
 #       -Range:  0-300
 
 UBr5(g)
-        UBr5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- 
-        log_k           61.4272
-	-delta_H	-423.222	kJ/mol	# Calculated enthalpy of reaction	UBr5(g)
+        UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br-
+        log_k 61.4272
+	-delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g)
 #	Enthalpy of formation:	-637.745 kJ/mol
-        -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002
+        -analytic -3.4693e+2 -1.4298e-1 2.8151e+4 1.4406e+2 4.3938e+2
 #       -Range:  0-300
 
 UCl(g)
-        UCl +1.0000 O2  =  + 1.0000 Cl- + 1.0000 UO2+   
-        log_k           221.7887
-	-delta_H	-1368.27	kJ/mol	# Calculated enthalpy of reaction	UCl(g)
+        UCl + O2 = Cl- + UO2+
+        log_k 221.7887
+	-delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g)
 #	Enthalpy of formation:	188.2 kJ/mol
-        -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003
+        -analytic -4.1941e+1 -2.7879e-2 7.08e+4 1.3954e+1 1.1048e+3
 #       -Range:  0-300
 
 UCl2(g)
-        UCl2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 Cl-   
-        log_k           183.7912
-	-delta_H	-1178.03	kJ/mol	# Calculated enthalpy of reaction	UCl2(g)
+        UCl2 + O2 = UO2+2 + 2 Cl-
+        log_k 183.7912
+	-delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g)
 #	Enthalpy of formation:	-163 kJ/mol
-        -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002
+        -analytic -1.3677e+2 -6.7829e-2 6.2413e+4 5.31e+1 9.7394e+2
 #       -Range:  0-300
 
 UCl3(g)
-        UCl3  =  + 1.0000 U+++ + 3.0000 Cl-     
-        log_k           58.6335
-	-delta_H	-453.239	kJ/mol	# Calculated enthalpy of reaction	UCl3(g)
+        UCl3 = U+3 + 3 Cl-
+        log_k 58.6335
+	-delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g)
 #	Enthalpy of formation:	-537.1 kJ/mol
-        -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002
+        -analytic -2.7942e+2 -1.0243e-1 2.8859e+4 1.0982e+2 4.504e+2
 #       -Range:  0-300
 
 UCl4(g)
-        UCl4  =  + 1.0000 U++++ + 4.0000 Cl-     
-        log_k           46.3988
-	-delta_H	-441.419	kJ/mol	# Calculated enthalpy of reaction	UCl4(g)
+        UCl4 = U+4 + 4 Cl-
+        log_k 46.3988
+	-delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g)
 #	Enthalpy of formation:	-818.1 kJ/mol
-        -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002
+        -analytic -3.7971e+2 -1.3504e-1 3.0243e+4 1.4746e+2 4.7202e+2
 #       -Range:  0-300
 
 UCl5(g)
-        UCl5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- 
-        log_k           54.5311
-	-delta_H	-406.349	kJ/mol	# Calculated enthalpy of reaction	UCl5(g)
+        UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl-
+        log_k 54.5311
+	-delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g)
 #	Enthalpy of formation:	-882.5 kJ/mol
-        -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002
+        -analytic -3.8234e+2 -1.5109e-1 2.817e+4 1.5654e+2 4.3968e+2
 #       -Range:  0-300
 
 UCl6(g)
-        UCl6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- 
-        log_k           63.4791
-	-delta_H	-462.301	kJ/mol	# Calculated enthalpy of reaction	UCl6(g)
+        UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
+        log_k 63.4791
+	-delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g)
 #	Enthalpy of formation:	-987.5 kJ/mol
-        -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002
+        -analytic -4.7128e+2 -1.9133e-1 3.2528e+4 1.9503e+2 5.0771e+2
 #       -Range:  0-300
 
 UF(g)
-        UF +1.0000 O2  =  + 1.0000 F- + 1.0000 UO2+   
-        log_k           206.2684
-	-delta_H	-1296.34	kJ/mol	# Calculated enthalpy of reaction	UF(g)
+        UF + O2 = F- + UO2+
+        log_k 206.2684
+	-delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g)
 #	Enthalpy of formation:	-52 kJ/mol
-        -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003
+        -analytic -6.1248e+1 -3.036e-2 6.7619e+4 2.0095e+1 1.0551e+3
 #       -Range:  0-300
 
 UF2(g)
-        UF2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 F-   
-        log_k           172.3563
-	-delta_H	-1147.56	kJ/mol	# Calculated enthalpy of reaction	UF2(g)
+        UF2 + O2 = UO2+2 + 2 F-
+        log_k 172.3563
+	-delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g)
 #	Enthalpy of formation:	-530 kJ/mol
-        -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005
+        -analytic -4.3462e+2 -1.0881e-1 7.6778e+4 1.5835e+2 -8.8536e+5
 #       -Range:  0-300
 
 UF3(g)
-        UF3  =  + 1.0000 U+++ + 3.0000 F-     
-        log_k           47.2334
-	-delta_H	-440.943	kJ/mol	# Calculated enthalpy of reaction	UF3(g)
+        UF3 = U+3 + 3 F-
+        log_k 47.2334
+	-delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g)
 #	Enthalpy of formation:	-1054.2 kJ/mol
-        -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002
+        -analytic -3.3058e+2 -1.0866e-1 2.9694e+4 1.2551e+2 4.6344e+2
 #       -Range:  0-300
 
 UF4(g)
-        UF4  =  + 1.0000 U++++ + 4.0000 F-     
-        log_k           14.5980
-	-delta_H	-331.39	kJ/mol	# Calculated enthalpy of reaction	UF4(g)
+        UF4 = U+4 + 4 F-
+        log_k 14.598
+	-delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g)
 #	Enthalpy of formation:	-1601.2 kJ/mol
-        -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002
+        -analytic -4.4692e+2 -1.4314e-1 2.6427e+4 1.6791e+2 4.125e+2
 #       -Range:  0-300
 
 UF5(g)
-        UF5 +2.0000 H2O  =  + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- 
-        log_k           6.3801
-	-delta_H	-220.188	kJ/mol	# Calculated enthalpy of reaction	UF5(g)
+        UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
+        log_k 6.3801
+	-delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g)
 #	Enthalpy of formation:	-1910 kJ/mol
-        -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002
+        -analytic -4.6981e+2 -1.6177e-1 2.0986e+4 1.8345e+2 3.276e+2
 #       -Range:  0-300
 
 UF6(g)
-        UF6 +2.0000 H2O  =  + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- 
-        log_k           18.2536
-	-delta_H	-310.809	kJ/mol	# Calculated enthalpy of reaction	UF6(g)
+        UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F-
+        log_k 18.2536
+	-delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g)
 #	Enthalpy of formation:	-2148.6 kJ/mol
-        -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002
+        -analytic -5.7661e+2 -2.0409e-1 2.768e+4 2.2743e+2 4.3209e+2
 #       -Range:  0-300
 
 UI(g)
-        UI +1.0000 O2  =  + 1.0000 I- + 1.0000 UO2+   
-        log_k           230.8161
-	-delta_H	-1410.9	kJ/mol	# Calculated enthalpy of reaction	UI(g)
+        UI + O2 = I- + UO2+
+        log_k 230.8161
+	-delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g)
 #	Enthalpy of formation:	341 kJ/mol
-        -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003
+        -analytic -3.5819e+1 -2.6631e-2 7.2899e+4 1.2133e+1 1.1375e+3
 #       -Range:  0-300
 
 UI2(g)
-        UI2 +1.0000 O2  =  + 1.0000 UO2++ + 2.0000 I-   
-        log_k           194.5395
-	-delta_H	-1220.67	kJ/mol	# Calculated enthalpy of reaction	UI2(g)
+        UI2 + O2 = UO2+2 + 2 I-
+        log_k 194.5395
+	-delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g)
 #	Enthalpy of formation:	100 kJ/mol
-        -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005
+        -analytic -3.3543e+2 -9.5116e-2 7.6218e+4 1.2543e+2 -6.8683e+5
 #       -Range:  0-300
 
 UI3(g)
-        UI3  =  + 1.0000 U+++ + 3.0000 I-     
-        log_k           75.6033
-	-delta_H	-519.807	kJ/mol	# Calculated enthalpy of reaction	UI3(g)
+        UI3 = U+3 + 3 I-
+        log_k 75.6033
+	-delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g)
 #	Enthalpy of formation:	-140 kJ/mol
-        -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002
+        -analytic -2.6095e+2 -9.8782e-2 3.1972e+4 1.0456e+2 4.9897e+2
 #       -Range:  0-300
 
 UI4(g)
-        UI4  =  + 1.0000 U++++ + 4.0000 I-     
-        log_k           64.3272
-	-delta_H	-510.01	kJ/mol	# Calculated enthalpy of reaction	UI4(g)
+        UI4 = U+4 + 4 I-
+        log_k 64.3272
+	-delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g)
 #	Enthalpy of formation:	-308.8 kJ/mol
-        -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002
+        -analytic -3.5645e+2 -1.3022e-1 3.3347e+4 1.4051e+2 5.2046e+2
 #       -Range:  0-300
 
 UO(g)
-        UO +2.0000 H+ +1.0000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           211.6585
-	-delta_H	-1323.2	kJ/mol	# Calculated enthalpy of reaction	UO(g)
+        UO + 2 H+ + O2 = H2O + UO2+2
+        log_k 211.6585
+	-delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g)
 #	Enthalpy of formation:	30.5 kJ/mol
-        -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005
+        -analytic -1.8007e+2 -3.1985e-2 7.8469e+4 5.8892e+1 -6.8071e+5
 #       -Range:  0-300
 
 UO2(g)
-        UO2 +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 UO2++ 
-        log_k           125.6027
-	-delta_H	-820.972	kJ/mol	# Calculated enthalpy of reaction	UO2(g)
+        UO2 + 2 H+ + 0.5 O2 = H2O + UO2+2
+        log_k 125.6027
+	-delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g)
 #	Enthalpy of formation:	-477.8 kJ/mol
-        -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002
+        -analytic -5.2789e+0 -3.5754e-3 4.2074e+4 -3.7117e+0 6.5653e+2
 #       -Range:  0-300
 
 UO2Cl2(g)
-        UO2Cl2  =  + 1.0000 UO2++ + 2.0000 Cl-     
-        log_k           47.9630
-	-delta_H	-381.559	kJ/mol	# Calculated enthalpy of reaction	UO2Cl2(g)
+        UO2Cl2 = UO2+2 + 2 Cl-
+        log_k 47.963
+	-delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g)
 #	Enthalpy of formation:	-971.6 kJ/mol
-        -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002
+        -analytic -1.8035e+2 -6.5574e-2 2.3064e+4 6.8894e+1 3.5994e+2
 #       -Range:  0-300
 
 UO2F2(g)
-        UO2F2  =  + 1.0000 UO2++ + 2.0000 F-     
-        log_k           34.6675
-	-delta_H	-337.195	kJ/mol	# Calculated enthalpy of reaction	UO2F2(g)
+        UO2F2 = UO2+2 + 2 F-
+        log_k 34.6675
+	-delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g)
 #	Enthalpy of formation:	-1352.5 kJ/mol
-        -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002
+        -analytic -2.1498e+2 -6.9882e-2 2.1774e+4 7.978e+1 3.3983e+2
 #       -Range:  0-300
 
 UO3(g)
-        UO3 +2.0000 H+  =  + 1.0000 H2O + 1.0000 UO2++   
-        log_k           70.9480
-	-delta_H	-505.638	kJ/mol	# Calculated enthalpy of reaction	UO3(g)
+        UO3 + 2 H+ = H2O + UO2+2
+        log_k 70.948
+	-delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g)
 #	Enthalpy of formation:	-799.2 kJ/mol
-        -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002
+        -analytic -3.282e+1 -2.6807e-3 2.6914e+4 5.7767e+0 4.1997e+2
 #       -Range:  0-300
 
 UOF4(g)
-        UOF4 +1.0000 H2O  =  + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- 
-        log_k           24.2848
-	-delta_H	-312.552	kJ/mol	# Calculated enthalpy of reaction	UOF4(g)
+        UOF4 + H2O = UO2+2 + 2 H+ + 4 F-
+        log_k 24.2848
+	-delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g)
 #	Enthalpy of formation:	-1762 kJ/mol
-        -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002
+        -analytic -3.9592e+2 -1.3699e-1 2.4127e+4 1.5359e+2 3.766e+2
 #       -Range:  0-300
 
 Xe(g)
-        Xe  =  + 1.0000 Xe       
-        log_k           -2.3640
-	-delta_H	-18.8698	kJ/mol	# Calculated enthalpy of reaction	Xe(g)
+        Xe = Xe
+        log_k -2.364
+	-delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g)
 #	Enthalpy of formation:	0 kcal/mol
-        -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005
+        -analytic -2.0636e+1 5.1389e-3 2.049e+2 5.1913e+0 2.8556e+5
 #       -Range:  0-300
 
 Zn(g)
-        Zn +2.0000 H+ +0.5000 O2  =  + 1.0000 H2O + 1.0000 Zn++ 
-        log_k           85.4140
-	-delta_H	-563.557	kJ/mol	# Calculated enthalpy of reaction	Zn(g)
+        Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
+        log_k 85.414
+	-delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g)
 #	Enthalpy of formation:	130.4 kJ/mol
-        -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000
+        -analytic -1.0898e+1 -3.9871e-3 2.9068e+4 0e+0 0e+0
 #       -Range:  0-200
 
 Zr(g)
-        Zr +4.0000 H+ +1.0000 O2  =  + 1.0000 Zr++++ + 2.0000 H2O 
-        log_k           277.1324
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Zr(g)
+        Zr + 4 H+ + O2 = Zr+4 + 2 H2O
+        log_k 277.1324
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g)
 #	Enthalpy of formation:	608.948 kJ/mol
 
 ZrF4(g)
-        ZrF4  =  + 1.0000 Zr++++ + 4.0000 F-     
-        log_k           142.9515
-	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	ZrF4(g)
+        ZrF4 = Zr+4 + 4 F-
+        log_k 142.9515
+	-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g)
 #	Enthalpy of formation:	-858.24 kJ/mol
 
 EXCHANGE_MASTER_SPECIES
-        X       X-
+        X X-
 EXCHANGE_SPECIES
         X- = X-
-        log_k           0.0
+        log_k 0
 
         Na+ + X- = NaX
-        log_k   0.0
-        -llnl_gamma  4.0     
+        log_k 0
+        -llnl_gamma 4
 
         K+ + X- = KX
-        log_k   0.7
-        -llnl_gamma  3.0
-        delta_h  -4.3   # Jardine & Sparks, 1984
+        log_k 0.7
+        -llnl_gamma 3
+        delta_h -4.3 # Jardine & Sparks, 1984
 
         Li+ + X- = LiX
-        log_k   -0.08
-        -llnl_gamma  6.0     
-        delta_h  1.4    # Merriam & Thomas, 1956
+        log_k -0.08
+        -llnl_gamma 6
+        delta_h 1.4 # Merriam & Thomas, 1956
 
         NH4+ + X- = NH4X
-        log_k   0.6
-        -llnl_gamma  2.5     
-        delta_h  -2.4   # Laudelout et al., 1968
+        log_k 0.6
+        -llnl_gamma 2.5
+        delta_h -2.4 # Laudelout et al., 1968
 
-        Ca+2 + 2X- = CaX2
-        log_k   0.8
-        -llnl_gamma  6.0     
-        delta_h  7.2    # Van Bladel & Gheyl, 1980
+        Ca+2 + 2 X- = CaX2
+        log_k 0.8
+        -llnl_gamma 6
+        delta_h 7.2 # Van Bladel & Gheyl, 1980
 
-        Mg+2 + 2X- = MgX2
-        log_k   0.6
-        -llnl_gamma  8.0
-        delta_h  7.4    # Laudelout et al., 1968
+        Mg+2 + 2 X- = MgX2
+        log_k 0.6
+        -llnl_gamma 8
+        delta_h 7.4 # Laudelout et al., 1968
 
-        Sr+2 + 2X- = SrX2
-        log_k   0.91
-        -llnl_gamma  5.0
-        delta_h  5.5    # Laudelout et al., 1968
+        Sr+2 + 2 X- = SrX2
+        log_k 0.91
+        -llnl_gamma 5
+        delta_h 5.5 # Laudelout et al., 1968
 
-        Ba+2 + 2X- = BaX2
-        log_k   0.91
-        -llnl_gamma  5.0     
-        delta_h  4.5    # Laudelout et al., 1968
+        Ba+2 + 2 X- = BaX2
+        log_k 0.91
+        -llnl_gamma 5
+        delta_h 4.5 # Laudelout et al., 1968
 
-        Mn+2 + 2X- = MnX2
-        log_k   0.52
-        -llnl_gamma  6.0     
+        Mn+2 + 2 X- = MnX2
+        log_k 0.52
+        -llnl_gamma 6
 
-        Fe+2 + 2X- = FeX2
-        log_k   0.44
-        -llnl_gamma  6.0     
+        Fe+2 + 2 X- = FeX2
+        log_k 0.44
+        -llnl_gamma 6
 
-        Cu+2 + 2X- = CuX2
-        log_k   0.6
-        -llnl_gamma  6.0     
+        Cu+2 + 2 X- = CuX2
+        log_k 0.6
+        -llnl_gamma 6
 
-        Zn+2 + 2X- = ZnX2
-        log_k   0.8
-        -llnl_gamma  6.0     
+        Zn+2 + 2 X- = ZnX2
+        log_k 0.8
+        -llnl_gamma 6
 
-        Cd+2 + 2X- = CdX2
-        log_k   0.8
-        -llnl_gamma  5.0     
+        Cd+2 + 2 X- = CdX2
+        log_k 0.8
+        -llnl_gamma 5
 
-        Pb+2 + 2X- = PbX2
-        log_k   1.05
-        -llnl_gamma  4.5
+        Pb+2 + 2 X- = PbX2
+        log_k 1.05
+        -llnl_gamma 4.5
 
-        Al+3 + 3X- = AlX3
-        log_k   0.41
-        -llnl_gamma  9.0     
+        Al+3 + 3 X- = AlX3
+        log_k 0.41
+        -llnl_gamma 9
 
-        AlOH+2 + 2X- = AlOHX2
-        log_k   0.89
-        -llnl_gamma  4.5
+        AlOH+2 + 2 X- = AlOHX2
+        log_k 0.89
+        -llnl_gamma 4.5
 
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 SURFACE_SPECIES
 #   All surface data from
 #   Dzombak and Morel, 1990
@@ -18884,24 +18888,24 @@ SURFACE_SPECIES
 #   strong binding site--Hfo_s,
 
         Hfo_sOH = Hfo_sOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_sOH  + H+ = Hfo_sOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_sOH + H+ = Hfo_sOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_sOH = Hfo_sO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 #   weak binding site--Hfo_w
 
         Hfo_wOH = Hfo_wOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_wOH  + H+ = Hfo_wOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_wOH + H+ = Hfo_wOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_wOH = Hfo_wO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 ###############################################
 #             CATIONS                         #
@@ -18911,52 +18915,52 @@ SURFACE_SPECIES
 #
 #   Calcium
         Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k  4.97
+        log_k 4.97
 
         Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
         log_k -5.85
 #   Strontium
         Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-        log_k  5.01
+        log_k 5.01
 
         Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
         log_k -6.58
 
-        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
-        log_k -17.60
+        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+        log_k -17.6
 #   Barium
         Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-        log_k  5.46
+        log_k 5.46
 
         Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-        log_k  -7.2                     # table 10.5
+        log_k -7.2 # table 10.5
 #
 #   Cations from table 10.2
 #
 #   Cadmium
         Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-        log_k  0.47
+        log_k 0.47
 
         Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-        log_k   -2.91
+        log_k -2.91
 #   Zinc
         Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-        log_k  0.99
+        log_k 0.99
 
         Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-        log_k   -1.99
+        log_k -1.99
 #   Copper
         Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-        log_k  2.89
+        log_k 2.89
 
         Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-        log_k  0.6                      # table 10.5
+        log_k 0.6 # table 10.5
 #   Lead
         Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-        log_k  4.65
+        log_k 4.65
 
         Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-        log_k  0.3                      # table 10.5
+        log_k 0.3 # table 10.5
 #
 #   Derived constants table 10.5
 #
@@ -18965,16 +18969,16 @@ SURFACE_SPECIES
         log_k -4.6
 #   Manganese
         Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-        log_k  -0.4                     # table 10.5
+        log_k -0.4 # table 10.5
 
         Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-        log_k -3.5                      # table 10.5
+        log_k -3.5 # table 10.5
 # Iron
         Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-        log_k   0.7     # LFER using table 10.5
+        log_k 0.7 # LFER using table 10.5
 
         Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-        log_k -2.5      # LFER using table 10.5
+        log_k -2.5 # LFER using table 10.5
 
 ###############################################
 #             ANIONS                          #
@@ -18983,44 +18987,44 @@ SURFACE_SPECIES
 #   Anions from table 10.6
 #
 #   Phosphate
-        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-        log_k   31.29
+        Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+        log_k 31.29
 
-        Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-        log_k   25.39
+        Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+        log_k 25.39
 
         Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-        log_k   17.72
+        log_k 17.72
 #
 #   Anions from table 10.7
 #
 #   Borate
         Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
-        log_k   0.62
+        log_k 0.62
 #
 #   Anions from table 10.8
 #
 #   Sulfate
         Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-        log_k   7.78
+        log_k 7.78
 
         Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
+        log_k 0.79
 #
 #   Derived constants table 10.10
 #
         Hfo_wOH + F- + H+ = Hfo_wF + H2O
-        log_k   8.7
+        log_k 8.7
 
         Hfo_wOH + F- = Hfo_wOHF-
-        log_k   1.6
+        log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for HFO
 # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
 #
 #        Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
 #        log_k   12.56
-# 
+#
 #        Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
 #        log_k   20.62
 
@@ -19070,38 +19074,38 @@ RATES
 
 K-feldspar
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM K-Feldspar parameters
-10  DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -19145,38 +19149,38 @@ K-feldspar
 
 Albite
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Albite m^2/mol Albite
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM Albite parameters
-10  DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -19184,7 +19188,7 @@ Albite
 #Calcite
 ########
 # Example of KINETICS data block for calcite rate,
-#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
 # KINETICS 1
 # Calcite
 # -tol   1e-8
@@ -19195,16 +19199,16 @@ Albite
 
 Calcite
    -start
-1   REM   PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2   REM   PARM(2) = exponent for M/M0
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
 
-10  si_cc = SI("Calcite")
-20  IF (M <= 0  and si_cc < 0) THEN GOTO 200
-30  k1 = 10^(0.198 - 444.0 / TK )
-40  k2 = 10^(2.84 - 2177.0 /TK )
-50  IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60  IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80  IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
 120 rate = rate * (1 - 10^(2/3*si_cc))
 130 moles = rate * 0.001 * TIME # convert from mmol to mol
@@ -19229,18 +19233,18 @@ Calcite
 #               -time 1 day in 10
 Pyrite
   -start
-1   REM        Williamson and Rimstidt, 1994
-2   REM        PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3   REM        PARM(2) = exp for (M/M0)
-4   REM        PARM(3) = exp for O2
-5   REM        PARM(4) = exp for H+
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
 
-10  REM Dissolution in presence of DO
-20  if (M <= 0) THEN GOTO 200
-30  if (SI("Pyrite") >= 0) THEN GOTO 200
-40  log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50  log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60  moles = 10^(log_area + log_rate) * TIME
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
 200 SAVE moles
   -end
 
@@ -19257,19 +19261,19 @@ Pyrite
 #               -time 30 year in 15
 Organic_C
  -start
-1   REM      Additive Monod kinetics for SOC (sediment organic carbon)
-2   REM      Electron acceptors: O2, NO3, and SO4
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
 
-10  if (M <= 0) THEN GOTO 200
-20  mO2   = MOL("O2")
-30  mNO3  = TOT("N(5)")
-40  mSO4  = TOT("S(6)")
-50  k_O2  = 1.57e-9    # 1/sec
-60  k_NO3 = 1.67e-11   # 1/sec
-70  k_SO4 = 1.e-13     # 1/sec
-80  rate  = k_O2 * mO2/(2.94e-4 + mO2)
-90  rate  = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate  = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
 110 moles = rate * M * (M/M0) * TIME
 200 SAVE moles
  -end
@@ -19290,14 +19294,14 @@ Organic_C
 #               -time 0.5 day in 10
 Pyrolusite
   -start
-10  if (M <= 0) THEN GOTO 200
-20  sr_pl = SR("Pyrolusite")
-30  if (sr_pl > 1) THEN GOTO 100
-40  REM sr_pl <= 1, undersaturated
-50  Fe_t = TOT("Fe(2)")
-60  if Fe_t < 1e-8 then goto 200
-70  moles = 6.98e-5 * Fe_t  * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80  GOTO 200
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
 100 REM sr_pl > 1, supersaturated
 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
 200 SAVE moles * SOLN_VOL
diff --git a/database/minimum.dat b/database/minimum.dat
index 9234591c..6f9d3b05 100644
--- a/database/minimum.dat
+++ b/database/minimum.dat
@@ -1,66 +1,70 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\minimum.dat, 19/11/2023  20:31, 66 lines, 2360 bytes, md5=7edb88ba80cce39d28c29b0da2e5527d
+# Created 17 May 2024 14:30:40
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "minimum.dat"
+
 SOLUTION_MASTER_SPECIES
-H		H+	-1.0	H		1.008
-H(0)		H2	0	H
-H(1)		H+	-1.0	0           1
-E		e-	0	0.0		0
-O		H2O	0	O		16.0
-O(0)		O2	0	O
-O(-2)		H2O	0	0
-C		CO3-2	2.0	HCO3		12.0111       60                12
-Ca          Ca+2            0        40.08             40.08
-Al          Al+3             0        27               27
-Si          H4SiO4             0      SiO2      28.0843
+H H+ -1 H 1.008
+H(0) H2 0 H
+H(1) H+ -1 0 1
+E e- 1 0 0
+O H2O 0 O 16
+O(0) O2 0 O
+O(-2) H2O 0 0
+C CO3-2 2 HCO3 12.0111
+Ca Ca+2 0 40.08 40.08
+Al Al+3 0 27 27
+Si H4SiO4 0 SiO2 28.0843
 SOLUTION_SPECIES
 H+ = H+
-	-gamma	9.0	0
-	-dw	9.31e-9  1000  0.46  1e-10 # The dw parameters are defined in ref. 3.
+	-gamma 9 0
+	-dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3
 # Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
 # Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
 e- = e-
 H2O = H2O
 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence
 Ca+2 = Ca+2
-	-gamma	5.0	0.1650
-	-dw	0.793e-9  97  3.4  24.6
-	-Vm  -0.3456  -7.252  6.149  -2.479  1.239  5  1.60  -57.1  -6.12e-3  1 # The apparent volume parameters are defined in ref. 1 & 2
+	-gamma 5 0.165
+	-dw 0.793e-9 97 3.4 24.6
+	-Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2
 Al+3 = Al+3
-	-gamma	9.0	0
-	-dw	 0.559e-9
-	-Vm   -2.28  -17.1  10.9  -2.07  2.87  9  0  0  5.5e-3  1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
+	-gamma 9 0
+	-dw 0.559e-9
+	-Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353
 H4SiO4 = H4SiO4
-	-dw	 1.10e-9
-	-Vm  10.5  1.7  20  -2.7  0.1291 # supcrt + 2*H2O in a1
+	-dw 1.1e-9
+	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
 H2O = OH- + H+
-	-analytic  293.29227  0.1360833  -10576.913  -123.73158  0  -6.996455e-5
-	-gamma	3.5	0
-	-dw	 5.27e-9  548  0.52  1e-10
-	-Vm  -9.66  28.5  80.0 -22.9 1.89 0 1.09 0 0 1
+	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
+	-gamma 3.5 0
+	-dw 5.27e-9 548 0.52 1e-10
+	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
 2 H2O = O2 + 4 H+ + 4 e-
-	-log_k	-86.08
+	-log_k -86.08
 	-delta_h 134.79 kcal
-	-dw	 2.35e-9
-	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+	-dw 2.35e-9
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
 2 H+ + 2 e- = H2
-	-log_k	-3.15
+	-log_k -3.15
 	-delta_h -1.759 kcal
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-dw 5.13e-9
+	-Vm 6.52 0.78 0.12 # supcrt
 CO3-2 = CO3-2
-	-gamma	5.4	0
-        -dw	0.955e-9  28.9  14.3  98.1
-	-Vm  8.69  -10.2  -20.31  -0.131  4.65  0  3.75  0  -4.04e-2  0.678
+	-gamma 5.4 0
+        -dw 0.955e-9 28.9 14.3 98.1
+	-Vm 8.69 -10.2 -20.31 -0.131 4.65 0 3.75 0 -4.04e-2 0.678
 CO3-2 + H+ = HCO3-
-	-log_k	10.329
-	-delta_h -3.561	kcal
-	-analytic  107.8871  0.03252849  -5151.79  -38.92561  563713.9
-	-gamma	5.4      0
-	-dw	1.18e-9  -182  0.351  -4.94
-	-Vm  9.03  -7.03e-2  -13.38  0  2.05  0  0  128  0  0.8242
+	-log_k 10.329
+	-delta_h -3.561 kcal
+	-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
+	-dw 1.18e-9 -182 0.351 -4.94
+	-Vm 9.03 -7.03e-2 -13.38 0 2.05 0 0 128 0 0.8242
 CO3-2 + 2 H+ = CO2 + H2O
-	-log_k	16.681
-	-delta_h -5.738	kcal
-	-analytic	464.1965	0.09344813	-26986.16	-165.75951	2248628.9
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   7.29  0.92  2.07  -1.23  -1.60 # McBride et al. 2015, JCED 60, 171
+	-log_k 16.681
+	-delta_h -5.738 kcal
+	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
 END
diff --git a/database/minteq.dat b/database/minteq.dat
index d2c70653..2a356840 100644
--- a/database/minteq.dat
+++ b/database/minteq.dat
@@ -1,1834 +1,1838 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.dat, 15/03/2024  15:27, 5650 lines, 159592 bytes, md5=4c6f21f3073c15690f089901794039db
+# Created 17 May 2024 14:30:40
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "minteq.dat"
+
 #  $Id: minteq.dat 11091 2016-04-21 15:20:05Z dlpark $
 SOLUTION_MASTER_SPECIES
 #######################################################
 #               essential definitions
 #######################################################
-Alkalinity	CO3-2		2.0     61.0173         61.0173
-E               e-		0       0               0
-H               H+		-1.     1.008           1.008
-H(0)            H2		0.0     1.008
-H(1)            H+		-1.     1.008
-O               H2O		0       16.00           16.00
-O(-2)           H2O		0       16.00           16.00
-O(0)            O2		0       16.00           16.00
+Alkalinity CO3-2 2 61.0173 61.0173
+E e- 1 0 0
+H H+ -1 1.008 1.008
+H(0) H2 0 1.008
+H(1) H+ -1 1.008
+O H2O 0 16 16
+O(-2) H2O 0 16 16
+O(0) O2 0 16 16
 #######################################################
-Ag              Ag+		0	107.868         107.868
-Al              Al+3		0	26.9815         26.9815
-As              H3AsO4		-1.0    74.9216         74.9216
-As(+3)          H3AsO3		0.0	74.9216
-As(+5)          H3AsO4		-1.0    74.9216
-B               H3BO3		0.0	10.81           10.81
-Ba              Ba+2		0	137.34          137.34
-Be              Be+2		0	9.0122          9.0122
-Br              Br-		0	79.904          79.904
-C               CO3-2		2.0     61.0173         12.0111
-C(+4)           CO3-2		2.0     61.0173
+Ag Ag+ 0 107.868 107.868
+Al Al+3 0 26.9815 26.9815
+As H3AsO4 -1 74.9216 74.9216
+As(+3) H3AsO3 0 74.9216
+As(+5) H3AsO4 -1 74.9216
+B H3BO3 0 10.81 10.81
+Ba Ba+2 0 137.34 137.34
+Be Be+2 0 9.0122 9.0122
+Br Br- 0 79.904 79.904
+C CO3-2 2 61.0173 12.0111
+C(+4) CO3-2 2 61.0173
 #C(-4)          CH4		0.0     16.042
-Cyanide		Cyanide-	0       26.018          26.018
-Cyanate		Cyanate-	0       42.017          42.017
+Cyanide Cyanide- 0 26.018 26.018
+Cyanate Cyanate- 0 42.017 42.017
 #DOM            DOM-2.8		0       0               0
 #ClIG2          ClIG2		0       0               0
-Ca              Ca+2		0       40.08           40.08
-Cd              Cd+2		0       112.399         112.399
-Cl              Cl-		0       35.453          35.453
-Cr              CrO4-2		1       51.996          51.996
-Cr(2)           Cr+2		0       51.996  
-Cr(3)		Cr(OH)2+	1       51.996  
-Cr(6)           CrO4-2		1       51.996  
-Cu              Cu+2		0       63.546          63.546
-Cu(1)           Cu+		0       63.546  
-Cu(2)           Cu+2		0       63.546  
-F               F-		0       18.9984         18.9984
-Fe              Fe+3		0.0     55.847          55.847
-Fe(+2)          Fe+2		0.0     55.847
-Fe(+3)          Fe+3		-2.0    55.847
-Hg              Hg(OH)2		0       200.59          200.59
-Hg(2)           Hg(OH)2		0       200.59
-Hg(1)           Hg2+2		0       200.59
-Hg(0)           Hg		0       200.59
-I               I-		0       126.904         126.904
-K               K+		0       39.102          39.102
-Li              Li+		0       6.939           6.939
-Mg              Mg+2		0       24.312          24.312
-Mn              Mn+3		0.0     54.938          54.938
-Mn(2)           Mn+2		0.0     54.938
-Mn(3)           Mn+3		0.0     54.938
-Mn(6)           MnO4-2		0.0     54.938
-Mn(7)           MnO4-		0.0     54.938
-N               NO3-		0.0     14.0067         14.0067
-N(-3)           NH4+		0.0     14.0067
+Ca Ca+2 0 40.08 40.08
+Cd Cd+2 0 112.399 112.399
+Cl Cl- 0 35.453 35.453
+Cr CrO4-2 1 51.996 51.996
+Cr(2) Cr+2 0 51.996
+Cr(3) Cr(OH)2+ 1 51.996
+Cr(6) CrO4-2 1 51.996
+Cu Cu+2 0 63.546 63.546
+Cu(1) Cu+ 0 63.546
+Cu(2) Cu+2 0 63.546
+F F- 0 18.9984 18.9984
+Fe Fe+3 0 55.847 55.847
+Fe(+2) Fe+2 0 55.847
+Fe(+3) Fe+3 -2 55.847
+Hg Hg(OH)2 0 200.59 200.59
+Hg(2) Hg(OH)2 0 200.59
+Hg(1) Hg2+2 0 200.59
+Hg(0) Hg 0 200.59
+I I- 0 126.904 126.904
+K K+ 0 39.102 39.102
+Li Li+ 0 6.939 6.939
+Mg Mg+2 0 24.312 24.312
+Mn Mn+3 0 54.938 54.938
+Mn(2) Mn+2 0 54.938
+Mn(3) Mn+3 0 54.938
+Mn(6) MnO4-2 0 54.938
+Mn(7) MnO4- 0 54.938
+N NO3- 0 14.0067 14.0067
+N(-3) NH4+ 0 14.0067
 #N(0)           N2		0.0     14.0067
-N(+3)           NO2-		0.0     14.0067
-N(+5)           NO3-		0.0     14.0067
-Na              Na+		0       22.9898         22.9898
-Ni              Ni+2		0       58.71           58.71
-P               PO4-3		2.0     30.9738         30.9738
-Pb              Pb+2		0       207.19          207.19
-Rb              Rb+		0       85.4699         85.4699
-S               SO4-2		0.0     96.0616         32.064
-S(-2)           HS-		1.0     32.064
-S(6)            SO4-2		0.0     96.0616
-Sb             Sb(OH)6-		0.      Sb              121.75
-Sb(3)           Sb(OH)3		0.      Sb
-Sb(5)          Sb(OH)6-		0       Sb
-Se              SeO4-2		0.0     78.96           78.96
-Se(-2)          HSe-		0.0     78.96
-Se(4)           SeO3-2		0.0     78.96
-Se(6)           SeO4-2		0.0     78.96
-Si              H4SiO4		0       96.1155         28.0843
-Sr              Sr+2		0       87.62           87.62
-Tl              Tl(OH)3		0       204.37          204.37
-Tl(1)           Tl+		0       204.37  
-Tl(3)           Tl(OH)3		0       204.37
-U               UO2+2		0.0     238.0290        238.0290
-U(3)            U+3		0.0     238.0290
-U(4)            U+4		0.0     238.0290
-U(5)            UO2+		0.0     238.0290
-U(6)            UO2+2		0.0     238.0290
-V               VO2+		-2.0    50.94           50.94
-V(2)            V+2		0       50.94   
-V(3)            V+3		-3.0    50.94   
-V(4)            VO+2		0       50.94
-V(5)            VO2+		-2.0    50.94
-Zn              Zn+2		0       65.37           65.37
-Benzoate                Benzoate-		0       121.12  121.12
-Para_acetate            Para_acetate-		1       134.14  134.14
-Isophthalate            Isophthalate-2		1       164.12  164.12
-Diethylamine            Diethylamine		0       73      73
-Nbutylamine             Nbutylamine		1       73      73
-Methylamine             Methylamine		1       31.018  31.018
-Dimethylamine           Dimethylamine		1       45.028  45.028
-Tributylphosphate       Tributylphosphate       0       265.97  265.97
-Hexylamine              Hexylamine		1       101     101
-Ethylenediamine         Ethylenediamine		2       60.12   60.12
-Npropylamine            Npropylamine		1       59.04   59.04
-Isopropylamine          Isopropylamine		1       59.04   59.04
-Trimethylamine          Trimethylamine		1       59.04   59.04
-Citrate                 Citrate-3		2       189.06  189.06
-Nta                     Nta-3			1       188.06  188.06
-Edta                    Edta-4			2       276     276
-Propanoate              Propanoate-		1       73.032  73.032
-Butanoate               Butanoate-		0       87.043  87.043
-Isobutyrate             Isobutyrate-		1       87.043  87.043
-Two_methylpyridine      Two_methylpyridine      1       94      94
-Three_methylpyridine    Three_methylpyridine    1       94      94
-Four_methylpyridine     Four_methylpyridine     1       94      94
-Formate                 Formate-		0       45.02   45.02
-Isovalerate             Isovalerate-		1       101.13  101.13
-Valerate                Valerate-		1       101.13  101.13
-Acetate                 Acetate-		1       59.05   59.05
-Tartrate                Tartrate-2		0       148.09  148.09
-Glycine                 Glycine-		1       74.07   74.07
-Salicylate              Salicylate-2		1       136.12  136.12
-Glutamate               Glutamate-2		1       145.13  145.13
-Phthalate               Phthalate-2		1       164.13  164.13
+N(+3) NO2- 0 14.0067
+N(+5) NO3- 0 14.0067
+Na Na+ 0 22.9898 22.9898
+Ni Ni+2 0 58.71 58.71
+P PO4-3 2 30.9738 30.9738
+Pb Pb+2 0 207.19 207.19
+Rb Rb+ 0 85.4699 85.4699
+S SO4-2 0 96.0616 32.064
+S(-2) HS- 1 32.064
+S(6) SO4-2 0 96.0616
+Sb Sb(OH)6- 0 Sb 121.75
+Sb(3) Sb(OH)3 0 Sb
+Sb(5) Sb(OH)6- 0 Sb
+Se SeO4-2 0 78.96 78.96
+Se(-2) HSe- 0 78.96
+Se(4) SeO3-2 0 78.96
+Se(6) SeO4-2 0 78.96
+Si H4SiO4 0 96.1155 28.0843
+Sr Sr+2 0 87.62 87.62
+Tl Tl(OH)3 0 204.37 204.37
+Tl(1) Tl+ 0 204.37
+Tl(3) Tl(OH)3 0 204.37
+U UO2+2 0 238.029 238.029
+U(3) U+3 0 238.029
+U(4) U+4 0 238.029
+U(5) UO2+ 0 238.029
+U(6) UO2+2 0 238.029
+V VO2+ -2 50.94 50.94
+V(2) V+2 0 50.94
+V(3) V+3 -3 50.94
+V(4) VO+2 0 50.94
+V(5) VO2+ -2 50.94
+Zn Zn+2 0 65.37 65.37
+Benzoate Benzoate- 0 121.12 121.12
+Para_acetate Para_acetate- 1 134.14 134.14
+Isophthalate Isophthalate-2 1 164.12 164.12
+Diethylamine Diethylamine 0 73 73
+Nbutylamine Nbutylamine 1 73 73
+Methylamine Methylamine 1 31.018 31.018
+Dimethylamine Dimethylamine 1 45.028 45.028
+Tributylphosphate Tributylphosphate 0 265.97 265.97
+Hexylamine Hexylamine 1 101 101
+Ethylenediamine Ethylenediamine 2 60.12 60.12
+Npropylamine Npropylamine 1 59.04 59.04
+Isopropylamine Isopropylamine 1 59.04 59.04
+Trimethylamine Trimethylamine 1 59.04 59.04
+Citrate Citrate-3 2 189.06 189.06
+Nta Nta-3 1 188.06 188.06
+Edta Edta-4 2 276 276
+Propanoate Propanoate- 1 73.032 73.032
+Butanoate Butanoate- 0 87.043 87.043
+Isobutyrate Isobutyrate- 1 87.043 87.043
+Two_methylpyridine Two_methylpyridine 1 94 94
+Three_methylpyridine Three_methylpyridine 1 94 94
+Four_methylpyridine Four_methylpyridine 1 94 94
+Formate Formate- 0 45.02 45.02
+Isovalerate Isovalerate- 1 101.13 101.13
+Valerate Valerate- 1 101.13 101.13
+Acetate Acetate- 1 59.05 59.05
+Tartrate Tartrate-2 0 148.09 148.09
+Glycine Glycine- 1 74.07 74.07
+Salicylate Salicylate-2 1 136.12 136.12
+Glutamate Glutamate-2 1 145.13 145.13
+Phthalate Phthalate-2 1 164.13 164.13
 SOLUTION_SPECIES
 #######################################################
 #             essential definitions
 #######################################################
 e- = e-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 H+ = H+
-        log_k   0
-        delta_h 0       kcal
-        -gamma  9.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 9 0
 H2O = H2O
-        log_k   0
-        delta_h 0       kcal
-2H2O = O2 + 4H+ + 4e- 
-        log_k           -86.08
+        log_k 0
+        delta_h 0 kcal
+2 H2O = O2 + 4 H+ + 4 e-
+        log_k -86.08
         delta_h 134.79 kcal
 2 H+ + 2 e- = H2
-        log_k           -3.15
-        delta_h -1.759  kcal
+        log_k -3.15
+        delta_h -1.759 kcal
 CO3-2 = CO3-2
-        log_k   0
-        delta_h 0       kcal
-        -gamma 5.4  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 5.4 0
 #######################################################
 Ag+ = Ag+
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Al+3 = Al+3
-        log_k   0
-        delta_h 0       kcal
-        -gamma  9.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 9 0
 H3AsO4 = H3AsO4
-        log_k   0
-        delta_h 0       kcal
-H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
-        log_k   19.444
+        log_k 0
+        delta_h 0 kcal
+H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O
+        log_k 19.444
         delta_h -30.015 kcal
 H3BO3 = H3BO3
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Ba+2 = Ba+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  5.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 5 0
 Be+2 = Be+2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Br- = Br-
-        log_k   0
-        delta_h 0       kcal
-        -gamma  4.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 4 0
 Cyanide- = Cyanide-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Cyanate- = Cyanate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Ca+2 = Ca+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  6.0  .165
+        log_k 0
+        delta_h 0 kcal
+        -gamma 6 .165
 Cd+2 = Cd+2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Cl- = Cl-
-        log_k   0
-        delta_h 0       kcal
-        -gamma  3.0  .015
+        log_k 0
+        delta_h 0 kcal
+        -gamma 3 .015
 CrO4-2 = CrO4-2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  4.0  0.0
-Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
-        log_k   2.947
-        delta_h 6.36    kcal
-CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
-        log_k   67.376
-        delta_h -103    kcal
+        log_k 0
+        delta_h 0 kcal
+        -gamma 4 0
+Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O
+        log_k 2.947
+        delta_h 6.36 kcal
+CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O
+        log_k 67.376
+        delta_h -103 kcal
 Cu+2 = Cu+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  2.5  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 2.5 0
 Cu+2 + e- = Cu+
-        log_k   2.72
-        delta_h 1.65    kcal
-        -gamma  2.5  0.0
+        log_k 2.72
+        delta_h 1.65 kcal
+        -gamma 2.5 0
 F- = F-
-        log_k   0
-        delta_h 0       kcal
-        -gamma  3.5  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 3.5 0
 Fe+3 = Fe+3
-        log_k   0
-        delta_h 0       kcal
-        -gamma  9.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 9 0
 Fe+3 + e- = Fe+2
-        log_k   13.032
-        delta_h -10     kcal
-        -gamma  6.0  0.0
+        log_k 13.032
+        delta_h -10 kcal
+        -gamma 6 0
 Hg(OH)2 = Hg(OH)2
-        log_k   0
-        delta_h 0       kcal
-2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
-        log_k   42.987
-        delta_h -63.59  kcal
-        -gamma  4.0  0.0
-0.5Hg2+2 + e- = Hg
-        log_k   6.9316
+        log_k 0
+        delta_h 0 kcal
+2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O
+        log_k 42.987
+        delta_h -63.59 kcal
+        -gamma 4 0
+0.5 Hg2+2 + e- = Hg
+        log_k 6.9316
         delta_h -16.605 kcal
 I- = I-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 K+ = K+
-        log_k   0
-        delta_h 0       kcal
-        -gamma  3.0  .015
+        log_k 0
+        delta_h 0 kcal
+        -gamma 3 .015
 Li+ = Li+
-        log_k   0
-        delta_h 0       kcal
-        -gamma  6.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 6 0
 Mg+2 = Mg+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  6.5  .20
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
-        log_k   -127.824
-        delta_h 176.62  kcal
-        -gamma  3.0   0
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
-        log_k   -118.44
-        delta_h 150.02  kcal
-        -gamma  5.0   0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 6.5 .2
+Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+        log_k -127.824
+        delta_h 176.62 kcal
+        -gamma 3 0
+Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+        log_k -118.44
+        delta_h 150.02 kcal
+        -gamma 5 0
 Mn+3 = Mn+3
-        log_k   0
-        delta_h 0       kcal
-        -gamma  9.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 9 0
 Mn+3 + e- = Mn+2
-        log_k   25.507
-        delta_h 25.76   kcal
-        -gamma  6.0  0.0
+        log_k 25.507
+        delta_h 25.76 kcal
+        -gamma 6 0
 NO3- = NO3-
-        log_k   0
-        delta_h 0       kcal
-        -gamma  3.0  0.0
-NO3- + 2H+ + 2e- = NO2- + H2O
-        log_k   28.57
-        delta_h -43.76  kcal
-NO3- + 10H+ + 8e- = NH4+ + 3H2O
-        log_k   119.077
-        delta_h -187.055        kcal
-        -gamma  2.5  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 3 0
+NO3- + 2 H+ + 2 e- = NO2- + H2O
+        log_k 28.57
+        delta_h -43.76 kcal
+NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+        log_k 119.077
+        delta_h -187.055 kcal
+        -gamma 2.5 0
 Na+ = Na+
-        log_k   0
-        delta_h 0       kcal
-        -gamma  4.0  .075
+        log_k 0
+        delta_h 0 kcal
+        -gamma 4 .075
 Ni+2 = Ni+2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 PO4-3 = PO4-3
-        log_k   0
-        delta_h 0       kcal
-        -gamma  5.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 5 0
 Pb+2 = Pb+2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Rb+ = Rb+
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 SO4-2 = SO4-2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  4.0  -.04
-SO4-2 + 9H+ + 8e- = HS- + 4H2O
-        log_k   33.66
-        delta_h -60.14  kcal
-        -gamma  3.5  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 4 -.04
+SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
+        log_k 33.66
+        delta_h -60.14 kcal
+        -gamma 3.5 0
 Sb(OH)6- = Sb(OH)6-
-        log_k   0
-        delta_h 0       kcal
-Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
-        log_k   25.7791
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
+Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O
+        log_k 25.7791
+        delta_h 0 kcal
 SeO4-2 = SeO4-2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  4.0  0.0
-HSeO3- + 6e- + 6H+ = HSe- + 3H2O
-        log_k   35.38
-        delta_h -78.17  kcal
-SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
-        log_k   36.319
+        log_k 0
+        delta_h 0 kcal
+        -gamma 4 0
+HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O
+        log_k 35.38
+        delta_h -78.17 kcal
+SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O
+        log_k 36.319
         delta_h -48.095 kcal
 H4SiO4 = H4SiO4
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Sr+2 = Sr+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  5.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 5 0
 Tl(OH)3 = Tl(OH)3
-        log_k   0
-        delta_h 0       kcal
-Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
-        log_k   48.0178
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
+Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O
+        log_k 48.0178
+        delta_h 0 kcal
 UO2+2 = UO2+2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 UO2+2 + e- = UO2+
-        log_k   2.785
-        delta_h -3.3    kcal
-UO2+2 + 2e- + 4H+ = U+4 + 2H2O
-        log_k   9.216
-        delta_h -34.43  kcal
-UO2+2 + 3e- + 4H+ = U+3 + 2H2O
-        log_k   0.42
-        delta_h -10.03  kcal
+        log_k 2.785
+        delta_h -3.3 kcal
+UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O
+        log_k 9.216
+        delta_h -34.43 kcal
+UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O
+        log_k 0.42
+        delta_h -10.03 kcal
 VO2+ = VO2+
-        log_k   0
-        delta_h 0       kcal
-VO2+ + e- + 2H+ = VO+2 + H2O
-        log_k   16.93
-        delta_h -29.32  kcal
-VO2+ + 2e- + 4H+ = V+3 + 2H2O
-        log_k   22.61
-        delta_h -44.23  kcal
-VO2+ + 3e- + 4H+ = V+2 + 2H2O
-        log_k   18.38
-        delta_h -35.33  kcal
+        log_k 0
+        delta_h 0 kcal
+VO2+ + e- + 2 H+ = VO+2 + H2O
+        log_k 16.93
+        delta_h -29.32 kcal
+VO2+ + 2 e- + 4 H+ = V+3 + 2 H2O
+        log_k 22.61
+        delta_h -44.23 kcal
+VO2+ + 3 e- + 4 H+ = V+2 + 2 H2O
+        log_k 18.38
+        delta_h -35.33 kcal
 Zn+2 = Zn+2
-        log_k   0
-        delta_h 0       kcal
-        -gamma  6.0  0.0
+        log_k 0
+        delta_h 0 kcal
+        -gamma 6 0
 Benzoate- = Benzoate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Para_acetate- = Para_acetate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Isophthalate-2 = Isophthalate-2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Diethylamine = Diethylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Nbutylamine = Nbutylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Methylamine = Methylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Dimethylamine = Dimethylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Tributylphosphate = Tributylphosphate
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Hexylamine = Hexylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Ethylenediamine = Ethylenediamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Npropylamine = Npropylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Isopropylamine = Isopropylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Trimethylamine = Trimethylamine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Citrate-3 = Citrate-3
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Nta-3 = Nta-3
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Edta-4 = Edta-4
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Propanoate- = Propanoate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Butanoate- = Butanoate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Isobutyrate- = Isobutyrate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Two_methylpyridine = Two_methylpyridine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Three_methylpyridine = Three_methylpyridine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Four_methylpyridine = Four_methylpyridine
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Formate- = Formate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Isovalerate- = Isovalerate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Valerate- = Valerate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Acetate- = Acetate-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Tartrate-2 = Tartrate-2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Glycine- = Glycine-
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Salicylate-2 = Salicylate-2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Glutamate-2 = Glutamate-2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 Phthalate-2 = Phthalate-2
-        log_k   0
-        delta_h 0       kcal
+        log_k 0
+        delta_h 0 kcal
 SOLUTION_SPECIES
 H2O = OH- + H+
-        log_k   -13.998
-        delta_h 13.345  kcal
-        -gamma  3.5     0
+        log_k -13.998
+        delta_h 13.345 kcal
+        -gamma 3.5 0
 H4SiO4 = H3SiO4- + H+
-        log_k   -9.93
-        delta_h 8.935   kcal
-        -gamma  4       0
-        -analytical 6.368      -0.016346  -3405.9
-H4SiO4 = H2SiO4-2 + 2H+
-        log_k   -21.619
-        delta_h 29.714  kcal
-        -gamma  5.4     0
-        -analytical 39.478     -0.065927  -12355.1
-H4SiO4 + 6F- + 4H+ = SiF6-2 + 4H2O
-        log_k   30.18
-        delta_h -16.26  kcal
-        -gamma  5       0
+        log_k -9.93
+        delta_h 8.935 kcal
+        -gamma 4 0
+        -analytical 6.368 -0.016346 -3405.9
+H4SiO4 = H2SiO4-2 + 2 H+
+        log_k -21.619
+        delta_h 29.714 kcal
+        -gamma 5.4 0
+        -analytical 39.478 -0.065927 -12355.1
+H4SiO4 + 6 F- + 4 H+ = SiF6-2 + 4 H2O
+        log_k 30.18
+        delta_h -16.26 kcal
+        -gamma 5 0
 H3BO3 = H2BO3- + H+
-        log_k   -9.24
-        delta_h 3.224   kcal
-        -gamma  2.5     0
-        -analytical 24.3919    0.012078   -1343.9    -13.2258
+        log_k -9.24
+        delta_h 3.224 kcal
+        -gamma 2.5 0
+        -analytical 24.3919 0.012078 -1343.9 -13.2258
 H3BO3 + F- = BF(OH)3-
-        log_k   -0.399
-        delta_h 1.85    kcal
-        -gamma  2.5     0
-H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
-        log_k   7.63
-        delta_h 1.635   kcal
-        -gamma  2.5     0
-H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
-        log_k   13.667
-        delta_h -1.58   kcal
-        -gamma  2.5     0
-H3BO3 + 4F- + 3H+ = BF4- + 3H2O
-        log_k   20.274
-        delta_h -1.795  kcal
-        -gamma  2.5     0
+        log_k -0.399
+        delta_h 1.85 kcal
+        -gamma 2.5 0
+H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
+        log_k 7.63
+        delta_h 1.635 kcal
+        -gamma 2.5 0
+H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O
+        log_k 13.667
+        delta_h -1.58 kcal
+        -gamma 2.5 0
+H3BO3 + 4 F- + 3 H+ = BF4- + 3 H2O
+        log_k 20.274
+        delta_h -1.795 kcal
+        -gamma 2.5 0
 NH4+ = NH3 + H+
-        log_k   -9.252
-        delta_h 12.48   kcal
-        -analytical 0.6322     -0.001225  -2835.76
+        log_k -9.252
+        delta_h 12.48 kcal
+        -analytical 0.6322 -0.001225 -2835.76
 NH4+ + SO4-2 = NH4SO4-
-        log_k   1.11
-        delta_h 0       kcal
-        -gamma  5       0
+        log_k 1.11
+        delta_h 0 kcal
+        -gamma 5 0
 Mg+2 + H2O = MgOH+ + H+
-        log_k   -11.79
-        delta_h 15.935  kcal
-        -gamma  6.5     0
-        -analytical -3.53      0.00513    -2917.1
+        log_k -11.79
+        delta_h 15.935 kcal
+        -gamma 6.5 0
+        -analytical -3.53 0.00513 -2917.1
 Mg+2 + F- = MgF+
-        log_k   1.82
-        delta_h 4.674   kcal
-        -gamma  4.5     0
+        log_k 1.82
+        delta_h 4.674 kcal
+        -gamma 4.5 0
 Mg+2 + CO3-2 = MgCO3
-        log_k   2.98
-        delta_h 2.022   kcal
-        -analytical 0.991      0.00667
+        log_k 2.98
+        delta_h 2.022 kcal
+        -analytical 0.991 0.00667
 Mg+2 + CO3-2 + H+ = MgHCO3+
-        log_k   11.4
-        delta_h -2.43   kcal
-        -gamma  4       0
-# Minteq a_e has more constants than phreeqc, can not use     
+        log_k 11.4
+        delta_h -2.43 kcal
+        -gamma 4 0
+# Minteq a_e has more constants than phreeqc, can not use
 #       -analytical_expression -4.179     0.012734   2902.39    0.0        2.29812E-5
 Mg+2 + SO4-2 = MgSO4
-        log_k   2.25
-        delta_h 1.399   kcal
+        log_k 2.25
+        delta_h 1.399 kcal
 Mg+2 + PO4-3 = MgPO4-
-        log_k   6.589
-        delta_h 3.1     kcal
-        -gamma  5.4     0
-Mg+2 + PO4-3 + 2H+ = MgH2PO4+
-        log_k   21.066
-        delta_h -1.12   kcal
-        -gamma  5.4     0
+        log_k 6.589
+        delta_h 3.1 kcal
+        -gamma 5.4 0
+Mg+2 + PO4-3 + 2 H+ = MgH2PO4+
+        log_k 21.066
+        delta_h -1.12 kcal
+        -gamma 5.4 0
 Mg+2 + PO4-3 + H+ = MgHPO4
-        log_k   15.22
-        delta_h -0.23   kcal
+        log_k 15.22
+        delta_h -0.23 kcal
 Ca+2 + H2O = CaOH+ + H+
-        log_k   -12.598
-        delta_h 14.535  kcal
-        -gamma  6       0
+        log_k -12.598
+        delta_h 14.535 kcal
+        -gamma 6 0
 Ca+2 + CO3-2 + H+ = CaHCO3+
-        log_k   11.33
-        delta_h 1.79    kcal
-        -gamma  6       0
-        -analytical -9.448     0.03709    2902.39
+        log_k 11.33
+        delta_h 1.79 kcal
+        -gamma 6 0
+        -analytical -9.448 0.03709 2902.39
 Ca+2 + CO3-2 = CaCO3
-        log_k   3.15
-        delta_h 4.03    kcal
-        -analytical -27.393    0.05617    4114.0
+        log_k 3.15
+        delta_h 4.03 kcal
+        -analytical -27.393 0.05617 4114
 Ca+2 + SO4-2 = CaSO4
-        log_k   2.309
-        delta_h 1.47    kcal
+        log_k 2.309
+        delta_h 1.47 kcal
 Ca+2 + PO4-3 + H+ = CaHPO4
-        log_k   15.085
-        delta_h -0.23   kcal
+        log_k 15.085
+        delta_h -0.23 kcal
 Ca+2 + PO4-3 = CaPO4-
-        log_k   6.459
-        delta_h 3.1     kcal
-        -gamma  5.4     0
-Ca+2 + PO4-3 + 2H+ = CaH2PO4+
-        log_k   20.96
-        delta_h -1.12   kcal
-        -gamma  5.4     0
+        log_k 6.459
+        delta_h 3.1 kcal
+        -gamma 5.4 0
+Ca+2 + PO4-3 + 2 H+ = CaH2PO4+
+        log_k 20.96
+        delta_h -1.12 kcal
+        -gamma 5.4 0
 Ca+2 + F- = CaF+
-        log_k   0.94
-        delta_h 3.798   kcal
-        -gamma  5       0
+        log_k 0.94
+        delta_h 3.798 kcal
+        -gamma 5 0
 Na+ + CO3-2 = NaCO3-
-        log_k   1.268
-        delta_h 8.911   kcal
-        -gamma  5.4     0
+        log_k 1.268
+        delta_h 8.911 kcal
+        -gamma 5.4 0
 Na+ + CO3-2 + H+ = NaHCO3
-        log_k   10.08
-        delta_h 0       kcal
+        log_k 10.08
+        delta_h 0 kcal
 Na+ + SO4-2 = NaSO4-
-        log_k   0.7
-        delta_h 1.12    kcal
-        -gamma  5.4     0
+        log_k 0.7
+        delta_h 1.12 kcal
+        -gamma 5.4 0
 Na+ + PO4-3 + H+ = NaHPO4-
-        log_k   12.636
-        delta_h 0       kcal
-        -gamma  5.4     0
+        log_k 12.636
+        delta_h 0 kcal
+        -gamma 5.4 0
 Na+ + F- = NaF
-        log_k   -0.79
-        delta_h 0       kcal
+        log_k -0.79
+        delta_h 0 kcal
 K+ + SO4-2 = KSO4-
-        log_k   0.85
-        delta_h 2.25    kcal
-        -gamma  5.4     0
-        -analytical 3.106      0.00       -673.6
+        log_k 0.85
+        delta_h 2.25 kcal
+        -gamma 5.4 0
+        -analytical 3.106 0 -673.6
 K+ + PO4-3 + H+ = KHPO4-
-        log_k   12.64
-        -gamma  5.4     0
-        delta_h 0       kcal
+        log_k 12.64
+        -gamma 5.4 0
+        delta_h 0 kcal
 Al+3 + H2O = AlOH+2 + H+
-        log_k   -4.99
-        delta_h 11.899  kcal
-        -gamma  5.4     0
-Al+3 + 2H2O = Al(OH)2+ + 2H+
-        log_k   -10.1
-        delta_h 0       kcal
-        -gamma  5.4     0
-Al+3 + 4H2O = Al(OH)4- + 4H+
-        log_k   -23
-        delta_h 44.06   kcal
-        -gamma  4.5     0
+        log_k -4.99
+        delta_h 11.899 kcal
+        -gamma 5.4 0
+Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+        log_k -10.1
+        delta_h 0 kcal
+        -gamma 5.4 0
+Al+3 + 4 H2O = Al(OH)4- + 4 H+
+        log_k -23
+        delta_h 44.06 kcal
+        -gamma 4.5 0
 Al+3 + F- = AlF+2
-        log_k   7.01
-        delta_h 0       kcal
-        -gamma  5.4     0
-Al+3 + 2F- = AlF2+
-        log_k   12.75
-        delta_h 20      kcal
-        -gamma  5.4     0
-Al+3 + 3F- = AlF3
-        log_k   17.02
-        delta_h 2.5     kcal
-Al+3 + 4F- = AlF4-
-        log_k   19.72
-        delta_h 0       kcal
-        -gamma  4.5     0
+        log_k 7.01
+        delta_h 0 kcal
+        -gamma 5.4 0
+Al+3 + 2 F- = AlF2+
+        log_k 12.75
+        delta_h 20 kcal
+        -gamma 5.4 0
+Al+3 + 3 F- = AlF3
+        log_k 17.02
+        delta_h 2.5 kcal
+Al+3 + 4 F- = AlF4-
+        log_k 19.72
+        delta_h 0 kcal
+        -gamma 4.5 0
 Al+3 + SO4-2 = AlSO4+
-        log_k   3.02
-        delta_h 2.15    kcal
-        -gamma  4.5     0
-Al+3 + 2SO4-2 = Al(SO4)2-
-        log_k   4.92
-        delta_h 2.84    kcal
-        -gamma  4.5     0
-Al+3 + 3H2O = Al(OH)3 + 3H+
-        log_k   -16
-        delta_h 0       kcal
+        log_k 3.02
+        delta_h 2.15 kcal
+        -gamma 4.5 0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+        log_k 4.92
+        delta_h 2.84 kcal
+        -gamma 4.5 0
+Al+3 + 3 H2O = Al(OH)3 + 3 H+
+        log_k -16
+        delta_h 0 kcal
 Fe+2 + H2O = FeOH+ + H+
-        log_k   -9.5
-        delta_h 13.199  kcal
-        -gamma  5       0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
-        log_k   -31
-        delta_h 30.3    kcal
-        -gamma  5       0
+        log_k -9.5
+        delta_h 13.199 kcal
+        -gamma 5 0
+Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+        log_k -31
+        delta_h 30.3 kcal
+        -gamma 5 0
 Fe+2 + SO4-2 = FeSO4
-        log_k   2.25
-        delta_h 3.23    kcal
-Fe+2 + PO4-3 + 2H+ = FeH2PO4+
-        log_k   22.253
-        delta_h 0       kcal
-        -gamma  5.4     0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
-        log_k   -20.57
-        delta_h 28.565  kcal
+        log_k 2.25
+        delta_h 3.23 kcal
+Fe+2 + PO4-3 + 2 H+ = FeH2PO4+
+        log_k 22.253
+        delta_h 0 kcal
+        -gamma 5.4 0
+Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+        log_k -20.57
+        delta_h 28.565 kcal
 Fe+2 + PO4-3 + H+ = FeHPO4
-        log_k   15.95
-        delta_h 0       kcal
-Fe+2 + 2HS- = Fe(HS)2
-        log_k   8.95
-        delta_h 0       kcal
-Fe+2 + 3HS- = Fe(HS)3-
-        log_k   10.987
-        delta_h 0       kcal
+        log_k 15.95
+        delta_h 0 kcal
+Fe+2 + 2 HS- = Fe(HS)2
+        log_k 8.95
+        delta_h 0 kcal
+Fe+2 + 3 HS- = Fe(HS)3-
+        log_k 10.987
+        delta_h 0 kcal
 Fe+3 + H2O = FeOH+2 + H+
-        log_k   -2.19
-        delta_h 10.399  kcal
-        -gamma  5       0
+        log_k -2.19
+        delta_h 10.399 kcal
+        -gamma 5 0
 Fe+3 + PO4-3 + H+ = FeHPO4+
-        log_k   17.78
-        delta_h -7.3    kcal
-        -gamma  5.4     0
+        log_k 17.78
+        delta_h -7.3 kcal
+        -gamma 5.4 0
 Fe+3 + SO4-2 = FeSO4+
-        log_k   3.92
-        delta_h 3.91    kcal
-        -gamma  5       0
+        log_k 3.92
+        delta_h 3.91 kcal
+        -gamma 5 0
 Fe+3 + Cl- = FeCl+2
-        log_k   1.48
-        delta_h 5.6     kcal
-        -gamma  5       0
-Fe+3 + 2Cl- = FeCl2+
-        log_k   2.13
-        delta_h 0       kcal
-        -gamma  5       0
-Fe+3 + 3Cl- = FeCl3
-        log_k   1.13
-        delta_h 0       kcal
-Fe+3 + 2H2O = Fe(OH)2+ + 2H+
-        log_k   -5.67
-        delta_h 0       kcal
-        -gamma  5.4     0
-Fe+3 + 3H2O = Fe(OH)3 + 3H+
-        log_k   -13.6
-        delta_h 0       kcal
-Fe+3 + 4H2O = Fe(OH)4- + 4H+
-        log_k   -21.6
-        delta_h 0       kcal
-        -gamma  5.4     0
-Fe+3 + PO4-3 + 2H+ = FeH2PO4+2
-        log_k   24.98
-        delta_h 0       kcal
-        -gamma  5.4     0
+        log_k 1.48
+        delta_h 5.6 kcal
+        -gamma 5 0
+Fe+3 + 2 Cl- = FeCl2+
+        log_k 2.13
+        delta_h 0 kcal
+        -gamma 5 0
+Fe+3 + 3 Cl- = FeCl3
+        log_k 1.13
+        delta_h 0 kcal
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+        log_k -5.67
+        delta_h 0 kcal
+        -gamma 5.4 0
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+        log_k -13.6
+        delta_h 0 kcal
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+        log_k -21.6
+        delta_h 0 kcal
+        -gamma 5.4 0
+Fe+3 + PO4-3 + 2 H+ = FeH2PO4+2
+        log_k 24.98
+        delta_h 0 kcal
+        -gamma 5.4 0
 Fe+3 + F- = FeF+2
-        log_k   6.199
-        delta_h 2.699   kcal
-        -gamma  5       0
-Fe+3 + 2F- = FeF2+
-        log_k   10.8
-        delta_h 4.8     kcal
-        -gamma  5       0
-Fe+3 + 3F- = FeF3
-        log_k   14
-        delta_h 5.399   kcal
-Fe+3 + 2SO4-2 = Fe(SO4)2-
-        log_k   5.42
-        delta_h 4.6     kcal
-2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
-        log_k   -2.95
-        delta_h 13.5    kcal
-3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
-        log_k   -6.3
-        delta_h 14.3    kcal
+        log_k 6.199
+        delta_h 2.699 kcal
+        -gamma 5 0
+Fe+3 + 2 F- = FeF2+
+        log_k 10.8
+        delta_h 4.8 kcal
+        -gamma 5 0
+Fe+3 + 3 F- = FeF3
+        log_k 14
+        delta_h 5.399 kcal
+Fe+3 + 2 SO4-2 = Fe(SO4)2-
+        log_k 5.42
+        delta_h 4.6 kcal
+2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+        log_k -2.95
+        delta_h 13.5 kcal
+3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+        log_k -6.3
+        delta_h 14.3 kcal
 Li+ + SO4-2 = LiSO4-
-        log_k   0.64
-        delta_h 0       kcal
-        -gamma  5       0
+        log_k 0.64
+        delta_h 0 kcal
+        -gamma 5 0
 Sr+2 + H2O = SrOH+ + H+
-        log_k   -13.178
-        delta_h 14.495  kcal
-        -gamma  5       0
+        log_k -13.178
+        delta_h 14.495 kcal
+        -gamma 5 0
 Ba+2 + H2O = BaOH+ + H+
-        log_k   -13.358
-        delta_h 15.095  kcal
-        -gamma  5       0
+        log_k -13.358
+        delta_h 15.095 kcal
+        -gamma 5 0
 Mn+2 + Cl- = MnCl+
-        log_k   0.607
-        delta_h 0       kcal
-        -gamma  5       0
-Mn+2 + 2Cl- = MnCl2
-        log_k   0.041
-        delta_h 0       kcal
-Mn+2 + 3Cl- = MnCl3-
-        log_k   -0.305
-        delta_h 0       kcal
-        -gamma  5       0
+        log_k 0.607
+        delta_h 0 kcal
+        -gamma 5 0
+Mn+2 + 2 Cl- = MnCl2
+        log_k 0.041
+        delta_h 0 kcal
+Mn+2 + 3 Cl- = MnCl3-
+        log_k -0.305
+        delta_h 0 kcal
+        -gamma 5 0
 Mn+2 + H2O = MnOH+ + H+
-        log_k   -10.59
-        delta_h 14.399  kcal
-        -gamma  5       0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
-        log_k   -34.8
-        delta_h 0       kcal
-        -gamma  5       0
+        log_k -10.59
+        delta_h 14.399 kcal
+        -gamma 5 0
+Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+        log_k -34.8
+        delta_h 0 kcal
+        -gamma 5 0
 Mn+2 + F- = MnF+
-        log_k   0.85
-        delta_h 0       kcal
-        -gamma  5       0
+        log_k 0.85
+        delta_h 0 kcal
+        -gamma 5 0
 Mn+2 + SO4-2 = MnSO4
-        log_k   2.26
-        delta_h 2.17    kcal
-Mn+2 + 2NO3- = Mn(NO3)2
-        log_k   0.6
-        delta_h -0.396  kcal
+        log_k 2.26
+        delta_h 2.17 kcal
+Mn+2 + 2 NO3- = Mn(NO3)2
+        log_k 0.6
+        delta_h -0.396 kcal
 Mn+2 + CO3-2 + H+ = MnHCO3+
-        log_k   11.6
-        delta_h 0       kcal
-        -gamma  5       0
-Cu+ + 2Cl- = CuCl2-
-        log_k   5.5
-        delta_h -0.42   kcal
-        -gamma  4       0
-Cu+ + 3Cl- = CuCl3-2
-        log_k   5.7
-        delta_h 0.26    kcal
-        -gamma  5       0
-Cu+ + 2HS- = Cu(S4)2-3 + 2H+ 
-        log_k   3.39
-        delta_h 0       kcal
-        -gamma  23      0
+        log_k 11.6
+        delta_h 0 kcal
+        -gamma 5 0
+Cu+ + 2 Cl- = CuCl2-
+        log_k 5.5
+        delta_h -0.42 kcal
+        -gamma 4 0
+Cu+ + 3 Cl- = CuCl3-2
+        log_k 5.7
+        delta_h 0.26 kcal
+        -gamma 5 0
+Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+
+        log_k 3.39
+        delta_h 0 kcal
+        -gamma 23 0
         -no_check
         -mass_balance Cu(1)(S(-2)4)2
-Cu+ + 2HS- = CuS4S5-3 + 2H+ 
-        log_k   2.66
-        delta_h 0       kcal
-        -gamma  25      0
+Cu+ + 2 HS- = CuS4S5-3 + 2 H+
+        log_k 2.66
+        delta_h 0 kcal
+        -gamma 25 0
         -no_check
         -mass_balance Cu(1)S(-2)4S(-2)5
 Cu+2 + Acetate- = CuAcetate+
-        log_k   2.22
-        delta_h 0       kcal
+        log_k 2.22
+        delta_h 0 kcal
 Cu+2 + Glycine- = CuGlycine+
-        log_k   8.62
-        delta_h 0       kcal
-2Cu+2 + Glycine- = Cu2Glycine+3
-        log_k   15.64
-        delta_h 0       kcal
+        log_k 8.62
+        delta_h 0 kcal
+2 Cu+2 + Glycine- = Cu2Glycine+3
+        log_k 15.64
+        delta_h 0 kcal
 Cu+2 + Salicylate-2 = CuSalicylate
-        log_k   10.64
-        delta_h 0       kcal
-2Cu+2 + Salicylate-2 = Cu2Salicylate+2
-        log_k   16.94
-        delta_h 0       kcal
+        log_k 10.64
+        delta_h 0 kcal
+2 Cu+2 + Salicylate-2 = Cu2Salicylate+2
+        log_k 16.94
+        delta_h 0 kcal
 Cu+2 + Glutamate-2 = CuGlutamate
-        log_k   8.33
-        delta_h 0       kcal
-2Cu+2 + Glutamate-2 = Cu2Glutamate+2
-        log_k   14.84
-        delta_h 0       kcal
-2Cu+2 + Phthalate-2 = Cu2Phthalate+2
-        log_k   5.3
-        delta_h 0       kcal
+        log_k 8.33
+        delta_h 0 kcal
+2 Cu+2 + Glutamate-2 = Cu2Glutamate+2
+        log_k 14.84
+        delta_h 0 kcal
+2 Cu+2 + Phthalate-2 = Cu2Phthalate+2
+        log_k 5.3
+        delta_h 0 kcal
 Cu+2 + CO3-2 = CuCO3
-        log_k   6.73
-        delta_h 0       kcal
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
-        log_k   9.83
-        delta_h 0       kcal
+        log_k 6.73
+        delta_h 0 kcal
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+        log_k 9.83
+        delta_h 0 kcal
 Cu+2 + Cl- = CuCl+
-        log_k   0.43
-        delta_h 8.65    kcal
-        -gamma  4       0
-Cu+2 + 2Cl- = CuCl2
-        log_k   0.16
-        delta_h 10.56   kcal
-Cu+2 + 3Cl- = CuCl3-
-        log_k   -2.29
-        delta_h 13.69   kcal
-        -gamma  4       0
-Cu+2 + 4Cl- = CuCl4-2
-        log_k   -4.59
-        delta_h 7.78    kcal
-        -gamma  5       0
+        log_k 0.43
+        delta_h 8.65 kcal
+        -gamma 4 0
+Cu+2 + 2 Cl- = CuCl2
+        log_k 0.16
+        delta_h 10.56 kcal
+Cu+2 + 3 Cl- = CuCl3-
+        log_k -2.29
+        delta_h 13.69 kcal
+        -gamma 4 0
+Cu+2 + 4 Cl- = CuCl4-2
+        log_k -4.59
+        delta_h 7.78 kcal
+        -gamma 5 0
 Cu+2 + F- = CuF+
-        log_k   1.26
-        delta_h 1.62    kcal
+        log_k 1.26
+        delta_h 1.62 kcal
 Cu+2 + H2O = CuOH+ + H+
-        log_k   -8
-        delta_h 0       kcal
-        -gamma  4       0
-Cu+2 + 2H2O = Cu(OH)2 + 2H+
-        log_k   -13.68
-        delta_h 0       kcal
-Cu+2 + 3H2O = Cu(OH)3- + 3H+
-        log_k   -26.899
-        delta_h 0       kcal
-Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
-        log_k   -39.6
-        delta_h 0       kcal
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
-        log_k   -10.359
-        delta_h 17.539  kcal
-        -analytical 2.497      0.0        -3833.0
+        log_k -8
+        delta_h 0 kcal
+        -gamma 4 0
+Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+        log_k -13.68
+        delta_h 0 kcal
+Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+        log_k -26.899
+        delta_h 0 kcal
+Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+        log_k -39.6
+        delta_h 0 kcal
+2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+        log_k -10.359
+        delta_h 17.539 kcal
+        -analytical 2.497 0 -3833
 Cu+2 + SO4-2 = CuSO4
-        log_k   2.31
-        delta_h 1.22    kcal
-Cu+2 + 3HS- = Cu(HS)3-
-        log_k   25.899
-        delta_h 0       kcal
+        log_k 2.31
+        delta_h 1.22 kcal
+Cu+2 + 3 HS- = Cu(HS)3-
+        log_k 25.899
+        delta_h 0 kcal
 Cu+2 + CO3-2 + H+ = CuHCO3+
-        log_k   13
-        delta_h 0       kcal
+        log_k 13
+        delta_h 0 kcal
 Zn+2 + Cl- = ZnCl+
-        log_k   0.43
-        delta_h 7.79    kcal
-        -gamma  4       0
-Zn+2 + 2Cl- = ZnCl2
-        log_k   0.45
-        delta_h 8.5     kcal
-Zn+2 + 3Cl- = ZnCl3-
-        log_k   0.5
-        delta_h 9.56    kcal
-        -gamma  4       0
-Zn+2 + 4Cl- = ZnCl4-2
-        log_k   0.199
-        delta_h 10.96   kcal
-        -gamma  5       0
+        log_k 0.43
+        delta_h 7.79 kcal
+        -gamma 4 0
+Zn+2 + 2 Cl- = ZnCl2
+        log_k 0.45
+        delta_h 8.5 kcal
+Zn+2 + 3 Cl- = ZnCl3-
+        log_k 0.5
+        delta_h 9.56 kcal
+        -gamma 4 0
+Zn+2 + 4 Cl- = ZnCl4-2
+        log_k 0.199
+        delta_h 10.96 kcal
+        -gamma 5 0
 Zn+2 + F- = ZnF+
-        log_k   1.15
-        delta_h 2.22    kcal
+        log_k 1.15
+        delta_h 2.22 kcal
 Zn+2 + H2O = ZnOH+ + H+
-        log_k   -8.96
-        delta_h 13.399  kcal
-Zn+2 + 2H2O = Zn(OH)2 + 2H+
-        log_k   -16.899
-        delta_h 0       kcal
-Zn+2 + 3H2O = Zn(OH)3- + 3H+
-        log_k   -28.399
-        delta_h 0       kcal
-Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
-        log_k   -41.199
-        delta_h 0       kcal
+        log_k -8.96
+        delta_h 13.399 kcal
+Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+        log_k -16.899
+        delta_h 0 kcal
+Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+        log_k -28.399
+        delta_h 0 kcal
+Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+        log_k -41.199
+        delta_h 0 kcal
 Zn+2 + H2O + Cl- = ZnOHCl + H+
-        log_k   -7.48
-        delta_h 0       kcal
-Zn+2 + 2HS- = Zn(HS)2
-        log_k   14.94
-        delta_h 0       kcal
-Zn+2 + 3HS- = Zn(HS)3-
-        log_k   16.1
-        delta_h 0       kcal
+        log_k -7.48
+        delta_h 0 kcal
+Zn+2 + 2 HS- = Zn(HS)2
+        log_k 14.94
+        delta_h 0 kcal
+Zn+2 + 3 HS- = Zn(HS)3-
+        log_k 16.1
+        delta_h 0 kcal
 Zn+2 + SO4-2 = ZnSO4
-        log_k   2.37
-        delta_h 1.36    kcal
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
-        log_k   3.28
-        delta_h 0       kcal
+        log_k 2.37
+        delta_h 1.36 kcal
+Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+        log_k 3.28
+        delta_h 0 kcal
 Zn+2 + Br- = ZnBr+
-        log_k   -0.58
-        delta_h 0       kcal
-Zn+2 + 2Br- = ZnBr2
-        log_k   -0.98
-        delta_h 0       kcal
+        log_k -0.58
+        delta_h 0 kcal
+Zn+2 + 2 Br- = ZnBr2
+        log_k -0.98
+        delta_h 0 kcal
 Zn+2 + I- = ZnI+
-        log_k   -2.91
-        delta_h 0       kcal
-Zn+2 + 2I- = ZnI2
-        log_k   -1.69
-        delta_h 0       kcal
+        log_k -2.91
+        delta_h 0 kcal
+Zn+2 + 2 I- = ZnI2
+        log_k -1.69
+        delta_h 0 kcal
 Zn+2 + CO3-2 + H+ = ZnHCO3+
-        log_k   12.4
-        delta_h 0       kcal
+        log_k 12.4
+        delta_h 0 kcal
 Zn+2 + CO3-2 = ZnCO3
-        log_k   5.3
-        delta_h 0       kcal
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
-        log_k   9.63
-        delta_h 0       kcal
+        log_k 5.3
+        delta_h 0 kcal
+Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+        log_k 9.63
+        delta_h 0 kcal
 Cd+2 + Cl- = CdCl+
-        log_k   1.98
-        delta_h 0.59    kcal
-Cd+2 + 2Cl- = CdCl2
-        log_k   2.6
-        delta_h 1.24    kcal
-Cd+2 + 3Cl- = CdCl3-
-        log_k   2.399
-        delta_h 3.9     kcal
+        log_k 1.98
+        delta_h 0.59 kcal
+Cd+2 + 2 Cl- = CdCl2
+        log_k 2.6
+        delta_h 1.24 kcal
+Cd+2 + 3 Cl- = CdCl3-
+        log_k 2.399
+        delta_h 3.9 kcal
 Cd+2 + F- = CdF+
-        log_k   1.1
-        delta_h 0       kcal
-Cd+2 + 2F- = CdF2
-        log_k   1.5
-        delta_h 0       kcal
-Cd+2 + 3CO3-2 = Cd(CO3)3-4
-        log_k   6.22
-        delta_h 0       kcal
+        log_k 1.1
+        delta_h 0 kcal
+Cd+2 + 2 F- = CdF2
+        log_k 1.5
+        delta_h 0 kcal
+Cd+2 + 3 CO3-2 = Cd(CO3)3-4
+        log_k 6.22
+        delta_h 0 kcal
 Cd+2 + H2O = CdOH+ + H+
-        log_k   -10.08
-        delta_h 13.1    kcal
-Cd+2 + 2H2O = Cd(OH)2 + 2H+
-        log_k   -20.35
-        delta_h 0       kcal
-Cd+2 + 3H2O = Cd(OH)3- + 3H+
-        log_k   -33.3
-        delta_h 0       kcal
-Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
-        log_k   -47.35
-        delta_h 0       kcal
-2Cd+2 + H2O = Cd2OH+3 + H+
-        log_k   -9.39
-        delta_h 10.899  kcal
+        log_k -10.08
+        delta_h 13.1 kcal
+Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+        log_k -20.35
+        delta_h 0 kcal
+Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+        log_k -33.3
+        delta_h 0 kcal
+Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+        log_k -47.35
+        delta_h 0 kcal
+2 Cd+2 + H2O = Cd2OH+3 + H+
+        log_k -9.39
+        delta_h 10.899 kcal
 Cd+2 + H2O + Cl- = CdOHCl + H+
-        log_k   -7.404
-        delta_h 4.355   kcal
+        log_k -7.404
+        delta_h 4.355 kcal
 Cd+2 + NO3- = CdNO3+
-        log_k   0.399
-        delta_h -5.2    kcal
+        log_k 0.399
+        delta_h -5.2 kcal
 Cd+2 + SO4-2 = CdSO4
-        log_k   2.46
-        delta_h 1.08    kcal
+        log_k 2.46
+        delta_h 1.08 kcal
 Cd+2 + HS- = CdHS+
-        log_k   10.17
-        delta_h 0       kcal
-Cd+2 + 2HS- = Cd(HS)2
-        log_k   16.53
-        delta_h 0       kcal
-Cd+2 + 3HS- = Cd(HS)3-
-        log_k   18.71
-        delta_h 0       kcal
-Cd+2 + 4HS- = Cd(HS)4-2
-        log_k   20.9
-        delta_h 0       kcal
+        log_k 10.17
+        delta_h 0 kcal
+Cd+2 + 2 HS- = Cd(HS)2
+        log_k 16.53
+        delta_h 0 kcal
+Cd+2 + 3 HS- = Cd(HS)3-
+        log_k 18.71
+        delta_h 0 kcal
+Cd+2 + 4 HS- = Cd(HS)4-2
+        log_k 20.9
+        delta_h 0 kcal
 Cd+2 + Br- = CdBr+
-        log_k   2.17
-        delta_h -0.81   kcal
-Cd+2 + 2Br- = CdBr2
-        log_k   2.899
-        delta_h 0       kcal
+        log_k 2.17
+        delta_h -0.81 kcal
+Cd+2 + 2 Br- = CdBr2
+        log_k 2.899
+        delta_h 0 kcal
 Cd+2 + I- = CdI+
-        log_k   2.15
-        delta_h -2.37   kcal
-Cd+2 + 2I- = CdI2
-        log_k   3.59
-        delta_h 0       kcal
+        log_k 2.15
+        delta_h -2.37 kcal
+Cd+2 + 2 I- = CdI2
+        log_k 3.59
+        delta_h 0 kcal
 Cd+2 + CO3-2 + H+ = CdHCO3+
-        log_k   12.4
-        delta_h 0       kcal
+        log_k 12.4
+        delta_h 0 kcal
 Cd+2 + CO3-2 = CdCO3
-        log_k   5.399
-        delta_h 0       kcal
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
-        log_k   3.5
-        delta_h 0       kcal
+        log_k 5.399
+        delta_h 0 kcal
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+        log_k 3.5
+        delta_h 0 kcal
 Pb+2 + Cl- = PbCl+
-        log_k   1.6
-        delta_h 4.38    kcal
-Pb+2 + 2Cl- = PbCl2
-        log_k   1.8
-        delta_h 1.08    kcal
-Pb+2 + 3Cl- = PbCl3-
-        log_k   1.699
-        delta_h 2.17    kcal
-Pb+2 + 4Cl- = PbCl4-2
-        log_k   1.38
-        delta_h 3.53    kcal
-Pb+2 + 2CO3-2 = Pb(CO3)2-2
-        log_k   10.64
-        delta_h 0       kcal
+        log_k 1.6
+        delta_h 4.38 kcal
+Pb+2 + 2 Cl- = PbCl2
+        log_k 1.8
+        delta_h 1.08 kcal
+Pb+2 + 3 Cl- = PbCl3-
+        log_k 1.699
+        delta_h 2.17 kcal
+Pb+2 + 4 Cl- = PbCl4-2
+        log_k 1.38
+        delta_h 3.53 kcal
+Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+        log_k 10.64
+        delta_h 0 kcal
 Pb+2 + F- = PbF+
-        log_k   1.25
-        delta_h 0       kcal
-Pb+2 + 2F- = PbF2
-        log_k   2.56
-        delta_h 0       kcal
-Pb+2 + 3F- = PbF3-
-        log_k   3.42
-        delta_h 0       kcal
-Pb+2 + 4F- = PbF4-2
-        log_k   3.1
-        delta_h 0       kcal
+        log_k 1.25
+        delta_h 0 kcal
+Pb+2 + 2 F- = PbF2
+        log_k 2.56
+        delta_h 0 kcal
+Pb+2 + 3 F- = PbF3-
+        log_k 3.42
+        delta_h 0 kcal
+Pb+2 + 4 F- = PbF4-2
+        log_k 3.1
+        delta_h 0 kcal
 Pb+2 + H2O = PbOH+ + H+
-        log_k   -7.71
-        delta_h 0       kcal
-Pb+2 + 2H2O = Pb(OH)2 + 2H+
-        log_k   -17.12
-        delta_h 0       kcal
-Pb+2 + 3H2O = Pb(OH)3- + 3H+
-        log_k   -28.06
-        delta_h 0       kcal
-2Pb+2 + H2O = Pb2OH+3 + H+
-        log_k   -6.36
-        delta_h 0       kcal
+        log_k -7.71
+        delta_h 0 kcal
+Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+        log_k -17.12
+        delta_h 0 kcal
+Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+        log_k -28.06
+        delta_h 0 kcal
+2 Pb+2 + H2O = Pb2OH+3 + H+
+        log_k -6.36
+        delta_h 0 kcal
 Pb+2 + NO3- = PbNO3+
-        log_k   1.17
-        delta_h 0       kcal
+        log_k 1.17
+        delta_h 0 kcal
 Pb+2 + SO4-2 = PbSO4
-        log_k   2.75
-        delta_h 0       kcal
-Pb+2 + 2HS- = Pb(HS)2
-        log_k   15.27
-        delta_h 0       kcal
-Pb+2 + 3HS- = Pb(HS)3-
-        log_k   16.57
-        delta_h 0       kcal
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
-        log_k   -23.88
-        delta_h 26.5    kcal
+        log_k 2.75
+        delta_h 0 kcal
+Pb+2 + 2 HS- = Pb(HS)2
+        log_k 15.27
+        delta_h 0 kcal
+Pb+2 + 3 HS- = Pb(HS)3-
+        log_k 16.57
+        delta_h 0 kcal
+3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+        log_k -23.88
+        delta_h 26.5 kcal
 Pb+2 + Br- = PbBr+
-        log_k   1.77
-        delta_h 2.88    kcal
-Pb+2 + 2Br- = PbBr2
-        log_k   1.44
-        delta_h 0       kcal
+        log_k 1.77
+        delta_h 2.88 kcal
+Pb+2 + 2 Br- = PbBr2
+        log_k 1.44
+        delta_h 0 kcal
 Pb+2 + I- = PbI+
-        log_k   1.94
-        delta_h 0       kcal
-Pb+2 + 2I- = PbI2
-        log_k   3.199
-        delta_h 0       kcal
+        log_k 1.94
+        delta_h 0 kcal
+Pb+2 + 2 I- = PbI2
+        log_k 3.199
+        delta_h 0 kcal
 Pb+2 + CO3-2 = PbCO3
-        log_k   7.24
-        delta_h 0       kcal
-Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
-        log_k   -39.699
-        delta_h 0       kcal
-Pb+2 + 2SO4-2 = Pb(SO4)2-2
-        log_k   3.47
-        delta_h 0       kcal
+        log_k 7.24
+        delta_h 0 kcal
+Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+        log_k -39.699
+        delta_h 0 kcal
+Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+        log_k 3.47
+        delta_h 0 kcal
 Pb+2 + CO3-2 + H+ = PbHCO3+
-        log_k   13.2
-        delta_h 0       kcal
+        log_k 13.2
+        delta_h 0 kcal
 Ni+2 + Br- = NiBr+
-        log_k   0.5
-        delta_h 0       kcal
+        log_k 0.5
+        delta_h 0 kcal
 Ni+2 + Cl- = NiCl+
-        log_k   0.399
-        delta_h 0       kcal
+        log_k 0.399
+        delta_h 0 kcal
 Ni+2 + F- = NiF+
-        log_k   1.3
-        delta_h 0       kcal
+        log_k 1.3
+        delta_h 0 kcal
 Ni+2 + H2O = NiOH+ + H+
-        log_k   -9.86
-        delta_h 12.42   kcal
-Ni+2 + 2H2O = Ni(OH)2 + 2H+
-        log_k   -19
-        delta_h 0       kcal
-Ni+2 + 3H2O = Ni(OH)3- + 3H+
-        log_k   -30
-        delta_h 0       kcal
+        log_k -9.86
+        delta_h 12.42 kcal
+Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
+        log_k -19
+        delta_h 0 kcal
+Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
+        log_k -30
+        delta_h 0 kcal
 Ni+2 + SO4-2 = NiSO4
-        log_k   2.29
-        delta_h 1.52    kcal
-Ni+2 + 2Cl- = NiCl2
-        log_k   0.96
-        delta_h 0       kcal
+        log_k 2.29
+        delta_h 1.52 kcal
+Ni+2 + 2 Cl- = NiCl2
+        log_k 0.96
+        delta_h 0 kcal
 Ni+2 + CO3-2 + H+ = NiHCO3+
-        log_k   12.47
-        delta_h 0       kcal
+        log_k 12.47
+        delta_h 0 kcal
 Ni+2 + CO3-2 = NiCO3
-        log_k   6.87
-        delta_h 0       kcal
-Ni+2 + 2CO3-2 = Ni(CO3)2-2
-        log_k   10.11
-        delta_h 0       kcal
-Ni+2 + 2SO4-2 = Ni(SO4)2-2
-        log_k   1.02
-        delta_h 0       kcal
+        log_k 6.87
+        delta_h 0 kcal
+Ni+2 + 2 CO3-2 = Ni(CO3)2-2
+        log_k 10.11
+        delta_h 0 kcal
+Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+        log_k 1.02
+        delta_h 0 kcal
 Ni+2 + Acetate- = NiAcetate+
-        log_k   1.43
-        delta_h 0       kcal
+        log_k 1.43
+        delta_h 0 kcal
 Ni+2 + Glycine- = NiGlycine+
-        log_k   6.18
-        delta_h 0       kcal
-2Ni+2 + Glycine- = Ni2Glycine+3
-        log_k   11.13
-        delta_h 0       kcal
+        log_k 6.18
+        delta_h 0 kcal
+2 Ni+2 + Glycine- = Ni2Glycine+3
+        log_k 11.13
+        delta_h 0 kcal
 Ni+2 + Salicylate-2 = NiSalicylate
-        log_k   6.95
-        delta_h 0       kcal
-2Ni+2 + Salicylate-2 = Ni2Salicylate+2
-        log_k   11.75
-        delta_h 0       kcal
+        log_k 6.95
+        delta_h 0 kcal
+2 Ni+2 + Salicylate-2 = Ni2Salicylate+2
+        log_k 11.75
+        delta_h 0 kcal
 Ni+2 + Glutamate-2 = NiGlutamate
-        log_k   5.9
-        delta_h 0       kcal
-2Ni+2 + Glutamate-2 = Ni2Glutamate+2
-        log_k   10.34
-        delta_h 0       kcal
+        log_k 5.9
+        delta_h 0 kcal
+2 Ni+2 + Glutamate-2 = Ni2Glutamate+2
+        log_k 10.34
+        delta_h 0 kcal
 Ni+2 + Phthalate-2 = NiPhthalate
-        log_k   2.95
-        delta_h 0       kcal
+        log_k 2.95
+        delta_h 0 kcal
 Ag+ + Br- = AgBr
-        log_k   4.24
-        delta_h 0       kcal
-Ag+ + 2Br- = AgBr2-
-        log_k   7.28
-        delta_h 0       kcal
+        log_k 4.24
+        delta_h 0 kcal
+Ag+ + 2 Br- = AgBr2-
+        log_k 7.28
+        delta_h 0 kcal
 Ag+ + Cl- = AgCl
-        log_k   3.27
-        delta_h -2.68   kcal
-Ag+ + 2Cl- = AgCl2-
-        log_k   5.27
-        delta_h -3.93   kcal
-Ag+ + 3Cl- = AgCl3-2
-        log_k   5.29
-        delta_h 0       kcal
-Ag+ + 4Cl- = AgCl4-3
-        log_k   5.51
-        delta_h 0       kcal
+        log_k 3.27
+        delta_h -2.68 kcal
+Ag+ + 2 Cl- = AgCl2-
+        log_k 5.27
+        delta_h -3.93 kcal
+Ag+ + 3 Cl- = AgCl3-2
+        log_k 5.29
+        delta_h 0 kcal
+Ag+ + 4 Cl- = AgCl4-3
+        log_k 5.51
+        delta_h 0 kcal
 Ag+ + F- = AgF
-        log_k   0.36
-        delta_h -2.83   kcal
+        log_k 0.36
+        delta_h -2.83 kcal
 Ag+ + HS- = AgHS
-        log_k   14.05
-        delta_h 0       kcal
-Ag+ + 2HS- = Ag(HS)2-
-        log_k   18.45
-        delta_h 0       kcal
+        log_k 14.05
+        delta_h 0 kcal
+Ag+ + 2 HS- = Ag(HS)2-
+        log_k 18.45
+        delta_h 0 kcal
 Ag+ + I- = AgI
-        log_k   6.6
-        delta_h 0       kcal
-Ag+ + 2I- = AgI2-
-        log_k   10.68
-        delta_h 0       kcal
+        log_k 6.6
+        delta_h 0 kcal
+Ag+ + 2 I- = AgI2-
+        log_k 10.68
+        delta_h 0 kcal
 Ag+ + H2O = AgOH + H+
-        log_k   -12
-        delta_h 0       kcal
-Ag+ + 2H2O = Ag(OH)2- + 2H+
-        log_k   -24
-        delta_h 0       kcal
+        log_k -12
+        delta_h 0 kcal
+Ag+ + 2 H2O = Ag(OH)2- + 2 H+
+        log_k -24
+        delta_h 0 kcal
 Ag+ + SO4-2 = AgSO4-
-        log_k   1.29
-        delta_h 1.49    kcal
+        log_k 1.29
+        delta_h 1.49 kcal
 Ag+ + NO3- = AgNO3
-        log_k   -0.29
-        delta_h 0       kcal
-Ag+ + 2NO2- = Ag(NO2)2-
-        log_k   2.22
-        delta_h 0       kcal
-Ag+ + 3Br- = AgBr3-2
-        log_k   8.71
-        delta_h 0       kcal
-Ag+ + 3I- = AgI3-2
-        log_k   13.37
-        delta_h -27.03  kcal
-Ag+ + 4I- = AgI4-3
-        log_k   14.08
-        delta_h 0       kcal
-Ag+ + 2HS- = Ag(S4)2-3 + 2H+ 
-        log_k   0.991
-        delta_h 0       kcal
-        -gamma  22      0
+        log_k -0.29
+        delta_h 0 kcal
+Ag+ + 2 NO2- = Ag(NO2)2-
+        log_k 2.22
+        delta_h 0 kcal
+Ag+ + 3 Br- = AgBr3-2
+        log_k 8.71
+        delta_h 0 kcal
+Ag+ + 3 I- = AgI3-2
+        log_k 13.37
+        delta_h -27.03 kcal
+Ag+ + 4 I- = AgI4-3
+        log_k 14.08
+        delta_h 0 kcal
+Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+
+        log_k 0.991
+        delta_h 0 kcal
+        -gamma 22 0
         -no_check
         -mass_balance Ag(S(-2)4)2
-Ag+ + 2HS- = AgS4S5-3 + 2H+ 
-        log_k   0.68
-        delta_h 0       kcal
-        -gamma  24      0
+Ag+ + 2 HS- = AgS4S5-3 + 2 H+
+        log_k 0.68
+        delta_h 0 kcal
+        -gamma 24 0
         -no_check
         -mass_balance AgS(-2)4S(-2)5
-Ag+ + 2HS- = Ag(HS)S4-2 + H+ 
-        log_k   10.431
-        delta_h 0       kcal
-        -gamma  15      0
+Ag+ + 2 HS- = Ag(HS)S4-2 + H+
+        log_k 10.431
+        delta_h 0 kcal
+        -gamma 15 0
         -no_check
         -mass_balance Ag(HS(-2))S(-2)4
 H3AsO3 = H2AsO3- + H+
-        log_k   -9.228
-        delta_h 6.56    kcal
-H3AsO3 = HAsO3-2 + 2H+
-        log_k   -21.33
-        delta_h 14.199  kcal
-H3AsO3 = AsO3-3 + 3H+
-        log_k   -34.744
-        delta_h 20.25   kcal
+        log_k -9.228
+        delta_h 6.56 kcal
+H3AsO3 = HAsO3-2 + 2 H+
+        log_k -21.33
+        delta_h 14.199 kcal
+H3AsO3 = AsO3-3 + 3 H+
+        log_k -34.744
+        delta_h 20.25 kcal
 H3AsO3 + H+ = H4AsO3+
-        log_k   -0.305
-        delta_h 0       kcal
+        log_k -0.305
+        delta_h 0 kcal
 H3AsO4 = H2AsO4- + H+
-        log_k   -2.243
-        delta_h -1.69   kcal
-H3AsO4 = HAsO4-2 + 2H+
-        log_k   -9.001
-        delta_h -0.92   kcal
-H3AsO4 = AsO4-3 + 3H+
-        log_k   -20.597
-        delta_h 3.43    kcal
+        log_k -2.243
+        delta_h -1.69 kcal
+H3AsO4 = HAsO4-2 + 2 H+
+        log_k -9.001
+        delta_h -0.92 kcal
+H3AsO4 = AsO4-3 + 3 H+
+        log_k -20.597
+        delta_h 3.43 kcal
 Sb(OH)3 = HSbO2 + H2O
-        log_k   -0.0073
-        delta_h -0.015  kcal
-Sb(OH)3 + F- + H+ = SbOF + 2H2O
-        log_k   6.1864
-        delta_h 0       kcal
+        log_k -0.0073
+        delta_h -0.015 kcal
+Sb(OH)3 + F- + H+ = SbOF + 2 H2O
+        log_k 6.1864
+        delta_h 0 kcal
 Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
-        log_k   6.1937
-        delta_h 0       kcal
-Sb(OH)3 + H+ = SbO+ + 2H2O
-        log_k   0.9228
-        delta_h 1.97    kcal
+        log_k 6.1937
+        delta_h 0 kcal
+Sb(OH)3 + H+ = SbO+ + 2 H2O
+        log_k 0.9228
+        delta_h 1.97 kcal
 Sb(OH)3 = SbO2- + H2O + H+
-        log_k   -11.8011
-        delta_h 16.775  kcal
+        log_k -11.8011
+        delta_h 16.775 kcal
 Sb(OH)3 + H+ = Sb(OH)2+ + H2O
-        log_k   1.3853
-        delta_h 0       kcal
-2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
-        log_k   49.3005
-        delta_h -75.68  kcal
-Sb(OH)6- = SbO3- + 3H2O
-        log_k   2.9319
-        delta_h 0       kcal
-Sb(OH)6- + 2H+ = SbO2+ + 4H2O
-        log_k   2.3895
-        delta_h 0       kcal
+        log_k 1.3853
+        delta_h 0 kcal
+2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O
+        log_k 49.3005
+        delta_h -75.68 kcal
+Sb(OH)6- = SbO3- + 3 H2O
+        log_k 2.9319
+        delta_h 0 kcal
+Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O
+        log_k 2.3895
+        delta_h 0 kcal
 Sb(OH)3 + H2O = Sb(OH)4- + H+
-        log_k   -12.0429
-        delta_h 16.695  kcal
+        log_k -12.0429
+        delta_h 16.695 kcal
 CO3-2 + H+ = HCO3-
-        log_k   10.33
-        delta_h -3.617  kcal
-        -gamma  5.4     0
-        -analytical -6.498     0.02379    2902.39
-CO3-2 + 2H+ = H2CO3
-        log_k   16.681
-        delta_h -2.247  kcal
+        log_k 10.33
+        delta_h -3.617 kcal
+        -gamma 5.4 0
+        -analytical -6.498 0.02379 2902.39
+CO3-2 + 2 H+ = H2CO3
+        log_k 16.681
+        delta_h -2.247 kcal
 SO4-2 + H+ = HSO4-
-        log_k   1.987
-        delta_h 4.91    kcal
-        -gamma  4.5     0
-        -analytical -5.3505    0.0183412  557.2461
+        log_k 1.987
+        delta_h 4.91 kcal
+        -gamma 4.5 0
+        -analytical -5.3505 0.0183412 557.2461
 F- + H+ = HF
-        log_k   3.169
-        delta_h 3.46    kcal
-2F- + H+ = HF2-
-        log_k   3.749
-        delta_h 4.55    kcal
-        -gamma  3.5     0
-2F- + 2H+ = H2F2
-        log_k   6.768
-        delta_h 0       kcal
+        log_k 3.169
+        delta_h 3.46 kcal
+2 F- + H+ = HF2-
+        log_k 3.749
+        delta_h 4.55 kcal
+        -gamma 3.5 0
+2 F- + 2 H+ = H2F2
+        log_k 6.768
+        delta_h 0 kcal
 PO4-3 + H+ = HPO4-2
-        log_k   12.346
-        delta_h -3.53   kcal
-        -gamma  5       0
-PO4-3 + 2H+ = H2PO4-
-        log_k   19.553
-        delta_h -4.52   kcal
-        -gamma  5.4     0
-PO4-3 + 3H+ = H3PO4
-        log_k   21.7
-        delta_h 0       kcal
+        log_k 12.346
+        delta_h -3.53 kcal
+        -gamma 5 0
+PO4-3 + 2 H+ = H2PO4-
+        log_k 19.553
+        delta_h -4.52 kcal
+        -gamma 5.4 0
+PO4-3 + 3 H+ = H3PO4
+        log_k 21.7
+        delta_h 0 kcal
 HS- + H+ = H2S
-        log_k   6.994
-        delta_h -5.3    kcal
-        -analytical -11.17     0.02386    3279.0
+        log_k 6.994
+        delta_h -5.3 kcal
+        -analytical -11.17 0.02386 3279
 HS- = S-2 + H+
-        log_k   -12.918
-        delta_h 12.1    kcal
-        -gamma  5       0
+        log_k -12.918
+        delta_h 12.1 kcal
+        -gamma 5 0
 U+4 + H2O = UOH+3 + H+
-        log_k   -0.656
-        delta_h 11.715  kcal
-        -analytical -9.16      0.0285
-U+4 + 2H2O = U(OH)2+2 + 2H+
-        log_k   -2.27
-        delta_h 17.73   kcal
-U+4 + 3H2O = U(OH)3+ + 3H+
-        log_k   -4.935
-        delta_h 22.645  kcal
-U+4 + 4H2O = U(OH)4 + 4H+
-        log_k   -8.498
-        delta_h 24.76   kcal
-U+4 + 5H2O = U(OH)5- + 5H+
-        log_k   -13.12
-        delta_h 27.575  kcal
-6U+4 + 15H2O = U6(OH)15+9 + 15H+
-        log_k   -17.229
-        delta_h 0       kcal
+        log_k -0.656
+        delta_h 11.715 kcal
+        -analytical -9.16 0.0285
+U+4 + 2 H2O = U(OH)2+2 + 2 H+
+        log_k -2.27
+        delta_h 17.73 kcal
+U+4 + 3 H2O = U(OH)3+ + 3 H+
+        log_k -4.935
+        delta_h 22.645 kcal
+U+4 + 4 H2O = U(OH)4 + 4 H+
+        log_k -8.498
+        delta_h 24.76 kcal
+U+4 + 5 H2O = U(OH)5- + 5 H+
+        log_k -13.12
+        delta_h 27.575 kcal
+6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
+        log_k -17.229
+        delta_h 0 kcal
 U+4 + F- = UF+3
-        log_k   8.659
-        delta_h 5.05    kcal
-U+4 + 2F- = UF2+2
-        log_k   14.457
-        delta_h 7.2     kcal
-U+4 + 3F- = UF3+
-        log_k   19.115
-        delta_h 7.15    kcal
-U+4 + 4F- = UF4
-        log_k   23.64
-        delta_h 4.6     kcal
-U+4 + 5F- = UF5-
-        log_k   25.238
-        delta_h 4.85    kcal
-U+4 + 6F- = UF6-2
-        log_k   27.718
-        delta_h 3.3     kcal
+        log_k 8.659
+        delta_h 5.05 kcal
+U+4 + 2 F- = UF2+2
+        log_k 14.457
+        delta_h 7.2 kcal
+U+4 + 3 F- = UF3+
+        log_k 19.115
+        delta_h 7.15 kcal
+U+4 + 4 F- = UF4
+        log_k 23.64
+        delta_h 4.6 kcal
+U+4 + 5 F- = UF5-
+        log_k 25.238
+        delta_h 4.85 kcal
+U+4 + 6 F- = UF6-2
+        log_k 27.718
+        delta_h 3.3 kcal
 U+4 + Cl- = UCl+3
-        log_k   1.338
-        delta_h 9.933   kcal
+        log_k 1.338
+        delta_h 9.933 kcal
 U+4 + SO4-2 = USO4+2
-        log_k   5.461
-        delta_h 3.7     kcal
-U+4 + 2SO4-2 = U(SO4)2
-        log_k   9.749
-        delta_h 7.6     kcal
+        log_k 5.461
+        delta_h 3.7 kcal
+U+4 + 2 SO4-2 = U(SO4)2
+        log_k 9.749
+        delta_h 7.6 kcal
 U+4 + PO4-3 + H+ = UHPO4+2
-        log_k   24.443
-        delta_h 7.5     kcal
-U+4 + 2PO4-3 + 2H+ = U(HPO4)2
-        log_k   46.833
-        delta_h 1.7     kcal
-U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
-        log_k   67.564
-        delta_h -7.8    kcal
-U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
-        log_k   88.483
-        delta_h -26.5   kcal
+        log_k 24.443
+        delta_h 7.5 kcal
+U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2
+        log_k 46.833
+        delta_h 1.7 kcal
+U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2
+        log_k 67.564
+        delta_h -7.8 kcal
+U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4
+        log_k 88.483
+        delta_h -26.5 kcal
 UO2+2 + H2O = UO2OH+ + H+
-        log_k   -5.09
-        delta_h 10.216  kcal
-2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
-        log_k   -5.645
-        delta_h 10.23   kcal
-3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
-        log_k   -15.593
-        delta_h 25.075  kcal
+        log_k -5.09
+        delta_h 10.216 kcal
+2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+        log_k -5.645
+        delta_h 10.23 kcal
+3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
+        log_k -15.593
+        delta_h 25.075 kcal
 UO2+2 + CO3-2 = UO2CO3
-        log_k   10.071
-        delta_h 0.84    kcal
-        -analytical -9.56      0.03434    2809.0
-UO2+2 + 2CO3-2 = UO2(CO3)2-2
-        log_k   17.008
-        delta_h 3.48    kcal
-        -analytical 14.14      0.0096
-UO2+2 + 3CO3-2 = UO2(CO3)3-4
-        log_k   21.384
-        delta_h -8.78   kcal
+        log_k 10.071
+        delta_h 0.84 kcal
+        -analytical -9.56 0.03434 2809
+UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+        log_k 17.008
+        delta_h 3.48 kcal
+        -analytical 14.14 0.0096
+UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+        log_k 21.384
+        delta_h -8.78 kcal
 UO2+2 + F- = UO2F+
-        log_k   5.105
-        delta_h -0.45   kcal
-UO2+2 + 2F- = UO2F2
-        log_k   8.92
-        delta_h -0.9    kcal
-UO2+2 + 3F- = UO2F3-
-        log_k   11.364
-        delta_h -0.85   kcal
-UO2+2 + 4F- = UO2F4-2
-        log_k   12.607
-        delta_h -1.1    kcal
+        log_k 5.105
+        delta_h -0.45 kcal
+UO2+2 + 2 F- = UO2F2
+        log_k 8.92
+        delta_h -0.9 kcal
+UO2+2 + 3 F- = UO2F3-
+        log_k 11.364
+        delta_h -0.85 kcal
+UO2+2 + 4 F- = UO2F4-2
+        log_k 12.607
+        delta_h -1.1 kcal
 UO2+2 + Cl- = UO2Cl+
-        log_k   0.22
-        delta_h 1.233   kcal
+        log_k 0.22
+        delta_h 1.233 kcal
 UO2+2 + SO4-2 = UO2SO4
-        log_k   2.709
-        delta_h 5.1     kcal
-# Minteq a_e has more constants than phreeqc, can not use     
+        log_k 2.709
+        delta_h 5.1 kcal
+# Minteq a_e has more constants than phreeqc, can not use
 #       -analytical 11.384     -0.07088   0.0        0.0        1.40277E-4
-UO2+2 + 2SO4-2 = UO2(SO4)2-2
-        log_k   4.183
-        delta_h 6.1     kcal
-# Minteq a_e has more constants than phreeqc, can not use     
+UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+        log_k 4.183
+        delta_h 6.1 kcal
+# Minteq a_e has more constants than phreeqc, can not use
 #       -analytical 12.130     -0.068297  0.0        0.0        1.3987E-04
 UO2+2 + PO4-3 + H+ = UO2HPO4
-        log_k   20.814
-        delta_h -2.1    kcal
-UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
-        log_k   42.988
+        log_k 20.814
+        delta_h -2.1 kcal
+UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
+        log_k 42.988
         delta_h -11.399 kcal
-UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
-        log_k   22.643
-        delta_h -3.7    kcal
-UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
-        log_k   44.7
-        delta_h -16.5   kcal
-UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
-        log_k   66.245
-        delta_h -28.6   kcal
+UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+
+        log_k 22.643
+        delta_h -3.7 kcal
+UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
+        log_k 44.7
+        delta_h -16.5 kcal
+UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
+        log_k 66.245
+        delta_h -28.6 kcal
 UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
-        log_k   -2.4
-        delta_h 0       kcal
-HS- = S2-2 + H+ 
-        log_k   -14.528
-        delta_h 11.4    kcal
+        log_k -2.4
+        delta_h 0 kcal
+HS- = S2-2 + H+
+        log_k -14.528
+        delta_h 11.4 kcal
         -no_check
         -mass_balance S(-2)2
-HS- = S3-2 + H+ 
-        log_k   -13.282
-        delta_h 10.4    kcal
+HS- = S3-2 + H+
+        log_k -13.282
+        delta_h 10.4 kcal
         -no_check
         -mass_balance S(-2)3
-HS- = S4-2 + H+ 
-        log_k   -9.829
-        delta_h 9.7     kcal
+HS- = S4-2 + H+
+        log_k -9.829
+        delta_h 9.7 kcal
         -no_check
         -mass_balance S(-2)4
-HS- = S5-2 + H+ 
-        log_k   -9.595
-        delta_h 9.3     kcal
+HS- = S5-2 + H+
+        log_k -9.595
+        delta_h 9.3 kcal
         -no_check
         -mass_balance S(-2)5
-HS- = S6-2 + H+ 
-        log_k   -9.881
-        delta_h 0       kcal
+HS- = S6-2 + H+
+        log_k -9.881
+        delta_h 0 kcal
         -no_check
         -mass_balance S(-2)6
 V+2 + H2O = VOH+ + H+
-        log_k   -5.64
-        delta_h 0       kcal
+        log_k -5.64
+        delta_h 0 kcal
 V+3 + H2O = VOH+2 + H+
-        log_k   -2.3
-        delta_h 9.35    kcal
-V+3 + 2H2O = V(OH)2+ + 2H+
-        log_k   -5.83
-        delta_h 0       kcal
-V+3 + 3H2O = V(OH)3 + 3H+
-        log_k   -11.02
-        delta_h 0       kcal
+        log_k -2.3
+        delta_h 9.35 kcal
+V+3 + 2 H2O = V(OH)2+ + 2 H+
+        log_k -5.83
+        delta_h 0 kcal
+V+3 + 3 H2O = V(OH)3 + 3 H+
+        log_k -11.02
+        delta_h 0 kcal
 V+3 + SO4-2 = VSO4+
-        log_k   1.44
-        delta_h 0       kcal
-2V+3 + 3H2O = V2(OH)3+3 + 3H+
-        log_k   -7.5
-        delta_h 0       kcal
-2V+3 + 2H2O = V2(OH)2+4 + 2H+
-        log_k   -3.75
-        delta_h 0       kcal
-VO+2 + 2H2O = V(OH)3+ + H+
-        log_k   -5.67
-        delta_h 0       kcal
-2VO+2 + 2H2O = H2V2O4+2 + 2H+
-        log_k   -6.44
-        delta_h 0       kcal
+        log_k 1.44
+        delta_h 0 kcal
+2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+
+        log_k -7.5
+        delta_h 0 kcal
+2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+
+        log_k -3.75
+        delta_h 0 kcal
+VO+2 + 2 H2O = V(OH)3+ + H+
+        log_k -5.67
+        delta_h 0 kcal
+2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+
+        log_k -6.44
+        delta_h 0 kcal
 VO+2 + F- = VOF+
-        log_k   3.34
-        delta_h 1.9     kcal
-VO+2 + 2F- = VOF2
-        log_k   5.74
-        delta_h 3.5     kcal
-VO+2 + 3F- = VOF3-
-        log_k   7.3
-        delta_h 4.9     kcal
-VO+2 + 4F- = VOF4-2
-        log_k   8.11
-        delta_h 6.4     kcal
+        log_k 3.34
+        delta_h 1.9 kcal
+VO+2 + 2 F- = VOF2
+        log_k 5.74
+        delta_h 3.5 kcal
+VO+2 + 3 F- = VOF3-
+        log_k 7.3
+        delta_h 4.9 kcal
+VO+2 + 4 F- = VOF4-2
+        log_k 8.11
+        delta_h 6.4 kcal
 VO+2 + SO4-2 = VOSO4
-        log_k   2.45
-        delta_h 3.72    kcal
+        log_k 2.45
+        delta_h 3.72 kcal
 VO+2 + Cl- = VOCl+
-        log_k   0.02
-        delta_h 0       kcal
-VO2+ + 2H2O = H3VO4 + H+
-        log_k   -3.3
-        delta_h 10.63   kcal
-VO2+ + 2H2O = H2VO4- + 2H+
-        log_k   -7.09
-        delta_h 11.33   kcal
-VO2+ + 2H2O = HVO4-2 + 3H+
-        log_k   -15.15
-        delta_h 14.93   kcal
-VO2+ + 2H2O = VO4-3 + 4H+
-        log_k   -28.4
-        delta_h 19.53   kcal
-2VO2+ + 3H2O = V2O7-4 + 6H+
-        log_k   -29.08
-        delta_h 0       kcal
-2VO2+ + 3H2O = HV2O7-3 + 5H+
-        log_k   -16.32
-        delta_h 0       kcal
-2VO2+ + 3H2O = H3V2O7- + 3H+
-        log_k   -3.79
-        delta_h 0       kcal
-3VO2+ + 3H2O = V3O9-3 + 6H+
-        log_k   -15.88
-        delta_h 0       kcal
-4VO2+ + 4H2O = V4O12-4 + 8H+
-        log_k   -20.79
-        delta_h 0       kcal
-10VO2+ + 8H2O = V10O28-6 + 16H+
-        log_k   -17.53
-        delta_h 0       kcal
-10VO2+ + 8H2O = HV10O28-5 + 15H+
-        log_k   -11.35
-        delta_h 21.52   kcal
-10VO2+ + 8H2O = H2V10O28-4 + 14H+
-        log_k   -7.71
-        delta_h 0       kcal
+        log_k 0.02
+        delta_h 0 kcal
+VO2+ + 2 H2O = H3VO4 + H+
+        log_k -3.3
+        delta_h 10.63 kcal
+VO2+ + 2 H2O = H2VO4- + 2 H+
+        log_k -7.09
+        delta_h 11.33 kcal
+VO2+ + 2 H2O = HVO4-2 + 3 H+
+        log_k -15.15
+        delta_h 14.93 kcal
+VO2+ + 2 H2O = VO4-3 + 4 H+
+        log_k -28.4
+        delta_h 19.53 kcal
+2 VO2+ + 3 H2O = V2O7-4 + 6 H+
+        log_k -29.08
+        delta_h 0 kcal
+2 VO2+ + 3 H2O = HV2O7-3 + 5 H+
+        log_k -16.32
+        delta_h 0 kcal
+2 VO2+ + 3 H2O = H3V2O7- + 3 H+
+        log_k -3.79
+        delta_h 0 kcal
+3 VO2+ + 3 H2O = V3O9-3 + 6 H+
+        log_k -15.88
+        delta_h 0 kcal
+4 VO2+ + 4 H2O = V4O12-4 + 8 H+
+        log_k -20.79
+        delta_h 0 kcal
+10 VO2+ + 8 H2O = V10O28-6 + 16 H+
+        log_k -17.53
+        delta_h 0 kcal
+10 VO2+ + 8 H2O = HV10O28-5 + 15 H+
+        log_k -11.35
+        delta_h 21.52 kcal
+10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+
+        log_k -7.71
+        delta_h 0 kcal
 VO2+ + F- = VO2F
-        log_k   3.12
-        delta_h 0       kcal
-VO2+ + 2F- = VO2F2-
-        log_k   5.67
-        delta_h 0       kcal
-VO2+ + 3F- = VO2F3-2
-        log_k   6.97
-        delta_h 0       kcal
-VO2+ + 4F- = VO2F4-3
-        log_k   7.07
-        delta_h 0       kcal
+        log_k 3.12
+        delta_h 0 kcal
+VO2+ + 2 F- = VO2F2-
+        log_k 5.67
+        delta_h 0 kcal
+VO2+ + 3 F- = VO2F3-2
+        log_k 6.97
+        delta_h 0 kcal
+VO2+ + 4 F- = VO2F4-3
+        log_k 7.07
+        delta_h 0 kcal
 VO2+ + SO4-2 = VO2SO4-
-        log_k   1.71
-        delta_h 0       kcal
+        log_k 1.71
+        delta_h 0 kcal
 VO2+ + NO3- = VO2NO3
-        log_k   -0.43
-        delta_h 0       kcal
+        log_k -0.43
+        delta_h 0 kcal
 Tl+ + H2O = TlOH + H+
-        log_k   -13.1717
-        delta_h 13.935  kcal
+        log_k -13.1717
+        delta_h 13.935 kcal
 Tl+ + F- = TlF
-        log_k   -0.4251
-        delta_h 0       kcal
+        log_k -0.4251
+        delta_h 0 kcal
 Tl+ + Cl- = TlCl
-        log_k   0.6824
-        delta_h -1.147  kcal
-Tl+ + 2Cl- = TlCl2-
-        log_k   0.2434
-        delta_h 0       kcal
+        log_k 0.6824
+        delta_h -1.147 kcal
+Tl+ + 2 Cl- = TlCl2-
+        log_k 0.2434
+        delta_h 0 kcal
 Tl+ + Br- = TlBr
-        log_k   0.9477
-        delta_h -2.461  kcal
-Tl+ + 2Br- = TlBr2-
-        log_k   0.9719
-        delta_h 2.998   kcal
+        log_k 0.9477
+        delta_h -2.461 kcal
+Tl+ + 2 Br- = TlBr2-
+        log_k 0.9719
+        delta_h 2.998 kcal
 Tl+ + Br- + Cl- = TlBrCl-
-        log_k   0.8165
-        delta_h 0       kcal
+        log_k 0.8165
+        delta_h 0 kcal
 Tl+ + I- = TlI
-        log_k   1.4279
-        delta_h 0       kcal
-Tl+ + 2I- = TlI2-
-        log_k   1.8588
-        delta_h 0       kcal
+        log_k 1.4279
+        delta_h 0 kcal
+Tl+ + 2 I- = TlI2-
+        log_k 1.8588
+        delta_h 0 kcal
 Tl+ + I- + Br- = TlIBr-
-        log_k   2.185
-        delta_h 0       kcal
+        log_k 2.185
+        delta_h 0 kcal
 Tl+ + SO4-2 = TlSO4-
-        log_k   1.3853
-        delta_h -0.22   kcal
+        log_k 1.3853
+        delta_h -0.22 kcal
 Tl+ + NO3- = TlNO3
-        log_k   0.3665
-        delta_h -0.65   kcal
+        log_k 0.3665
+        delta_h -0.65 kcal
 Tl+ + NO2- = TlNO2
-        log_k   0.9969
-        delta_h 0       kcal
+        log_k 0.9969
+        delta_h 0 kcal
 Tl+ + HS- = TlHS
-        log_k   1.8178
-        delta_h 0       kcal
-2Tl+ + HS- = Tl2HS+
-        log_k   7.6979
-        delta_h 0       kcal
-2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
-        log_k   1.0044
-        delta_h 0       kcal
-2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
-        log_k   -11.0681
-        delta_h 0       kcal
-Tl(OH)3 + 3H+ = Tl+3 + 3H2O
-        log_k   4.7424
-        delta_h 0       kcal
-Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
-        log_k   3.577
-        delta_h 0       kcal
+        log_k 1.8178
+        delta_h 0 kcal
+2 Tl+ + HS- = Tl2HS+
+        log_k 7.6979
+        delta_h 0 kcal
+2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+
+        log_k 1.0044
+        delta_h 0 kcal
+2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+
+        log_k -11.0681
+        delta_h 0 kcal
+Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O
+        log_k 4.7424
+        delta_h 0 kcal
+Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O
+        log_k 3.577
+        delta_h 0 kcal
 Tl(OH)3 + H+ = Tl(OH)2+ + H2O
-        log_k   2.1183
-        delta_h 0       kcal
+        log_k 2.1183
+        delta_h 0 kcal
 Tl(OH)3 + H2O = Tl(OH)4- + H+
-        log_k   -10.2545
-        delta_h 0       kcal
-Tl(OH)3 + Cl- + 3H+ = TlCl+2 + 3H2O
-        log_k   12.2342
-        delta_h 0       kcal
-Tl(OH)3 + 2Cl- + 3H+ = TlCl2+ + 3H2O
-        log_k   18.0402
-        delta_h 0       kcal
-Tl(OH)3 + 3Cl- + 3H+ = TlCl3 + 3H2O
-        log_k   21.4273
-        delta_h 0       kcal
-Tl(OH)3 + 4Cl- + 3H+ = TlCl4- + 3H2O
-        log_k   24.2281
-        delta_h 0       kcal
-Tl(OH)3 + Br- + 3H+ = TlBr+2 + 3H2O
-        log_k   14.2221
-        delta_h 0       kcal
-Tl(OH)3 + 2Br- + 3H+ = TlBr2+ + 3H2O
-        log_k   21.5761
-        delta_h 0       kcal
-Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
-        log_k   27.0244
-        delta_h 0       kcal
-Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
-        log_k   31.1533
-        delta_h 0       kcal
-Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
-        log_k   34.7596
-        delta_h 0       kcal
-Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
-        log_k   7.0073
-        delta_h 0       kcal
-Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
-        log_k   10.629
-        delta_h 0       kcal
+        log_k -10.2545
+        delta_h 0 kcal
+Tl(OH)3 + Cl- + 3 H+ = TlCl+2 + 3 H2O
+        log_k 12.2342
+        delta_h 0 kcal
+Tl(OH)3 + 2 Cl- + 3 H+ = TlCl2+ + 3 H2O
+        log_k 18.0402
+        delta_h 0 kcal
+Tl(OH)3 + 3 Cl- + 3 H+ = TlCl3 + 3 H2O
+        log_k 21.4273
+        delta_h 0 kcal
+Tl(OH)3 + 4 Cl- + 3 H+ = TlCl4- + 3 H2O
+        log_k 24.2281
+        delta_h 0 kcal
+Tl(OH)3 + Br- + 3 H+ = TlBr+2 + 3 H2O
+        log_k 14.2221
+        delta_h 0 kcal
+Tl(OH)3 + 2 Br- + 3 H+ = TlBr2+ + 3 H2O
+        log_k 21.5761
+        delta_h 0 kcal
+Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O
+        log_k 27.0244
+        delta_h 0 kcal
+Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O
+        log_k 31.1533
+        delta_h 0 kcal
+Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O
+        log_k 34.7596
+        delta_h 0 kcal
+Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O
+        log_k 7.0073
+        delta_h 0 kcal
+Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O
+        log_k 10.629
+        delta_h 0 kcal
 HSe- = Se-2 + H+
-        log_k   -14.9529
-        delta_h 11.5    kcal
+        log_k -14.9529
+        delta_h 11.5 kcal
 HSe- + H+ = H2Se
-        log_k   3.8115
-        delta_h 0.8     kcal
+        log_k 3.8115
+        delta_h 0.8 kcal
 HSe- + Mn+2 = MnSe + H+
-        log_k   -6.7435
-        delta_h 0       kcal
-HSe- + 2Ag+ = Ag2Se + H+
-        log_k   34.0677
-        delta_h 0       kcal
-2HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3H+
-        log_k   -18.6237
-        delta_h 0       kcal
+        log_k -6.7435
+        delta_h 0 kcal
+HSe- + 2 Ag+ = Ag2Se + H+
+        log_k 34.0677
+        delta_h 0 kcal
+2 HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3 H+
+        log_k -18.6237
+        delta_h 0 kcal
 HSeO3- = SeO3-2 + H+
-        log_k   -8.48
-        delta_h 1.28    kcal
+        log_k -8.48
+        delta_h 1.28 kcal
 HSeO3- + H+ = H2SeO3
-        log_k   2.65
-        delta_h 1.69    kcal
+        log_k 2.65
+        delta_h 1.69 kcal
 HSeO3- + Fe+3 = FeHSeO3+2
-        log_k   3.61
-        delta_h 0       kcal
+        log_k 3.61
+        delta_h 0 kcal
 HSeO3- + Ag+ = AgSeO3- + H+
-        log_k   -5.5985
-        delta_h 0       kcal
-2HSeO3- + Ag+ = Ag(SeO3)2-3 + 2H+
-        log_k   -13.2
-        delta_h 0       kcal
-2HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2H+
-        log_k   -11.189
-        delta_h 0       kcal
+        log_k -5.5985
+        delta_h 0 kcal
+2 HSeO3- + Ag+ = Ag(SeO3)2-3 + 2 H+
+        log_k -13.2
+        delta_h 0 kcal
+2 HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2 H+
+        log_k -11.189
+        delta_h 0 kcal
 SeO4-2 + H+ = HSeO4-
-        log_k   1.9058
-        delta_h 4.2     kcal
+        log_k 1.9058
+        delta_h 4.2 kcal
 SeO4-2 + Mn+2 = MnSeO4
-        log_k   2.4188
-        delta_h 3.46    kcal
+        log_k 2.4188
+        delta_h 3.46 kcal
 SeO4-2 + Ni+2 = NiSeO4
-        log_k   2.6387
-        delta_h 3.5     kcal
+        log_k 2.6387
+        delta_h 3.5 kcal
 SeO4-2 + Cd+2 = CdSeO4
-        log_k   2.2415
-        delta_h 0       kcal
+        log_k 2.2415
+        delta_h 0 kcal
 SeO4-2 + Zn+2 = ZnSeO4
-        log_k   2.2019
-        delta_h 0       kcal
-2SeO4-2 + Zn+2 = Zn(SeO4)2-2
-        log_k   -0.0704
-        delta_h 0       kcal
-Hg(OH)2 + 2H+ = Hg+2 + 2H2O
-        log_k   6.097
-        delta_h -11.06  kcal
-Hg(OH)2 + Br- + 2H+ = HgBr+ + 2H2O
-        log_k   15.8347
-        delta_h 0       kcal
-Hg(OH)2 + 2Br- + 2H+ = HgBr2 + 2H2O
-        log_k   23.6065
+        log_k 2.2019
+        delta_h 0 kcal
+2 SeO4-2 + Zn+2 = Zn(SeO4)2-2
+        log_k -0.0704
+        delta_h 0 kcal
+Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O
+        log_k 6.097
+        delta_h -11.06 kcal
+Hg(OH)2 + Br- + 2 H+ = HgBr+ + 2 H2O
+        log_k 15.8347
+        delta_h 0 kcal
+Hg(OH)2 + 2 Br- + 2 H+ = HgBr2 + 2 H2O
+        log_k 23.6065
         delta_h -30.832 kcal
-Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
-        log_k   25.7857
-        delta_h 0       kcal
-Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
-        log_k   27.0633
-        delta_h 0       kcal
-Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
-        log_k   22.0145
-        delta_h 0       kcal
-Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
-        log_k   27.1212
-        delta_h 0       kcal
-Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
-        log_k   34.2135
-        delta_h 0       kcal
-Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
-        log_k   32.3994
-        delta_h 0       kcal
-Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
-        log_k   30.1528
-        delta_h 0       kcal
+Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O
+        log_k 25.7857
+        delta_h 0 kcal
+Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O
+        log_k 27.0633
+        delta_h 0 kcal
+Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O
+        log_k 22.0145
+        delta_h 0 kcal
+Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O
+        log_k 27.1212
+        delta_h 0 kcal
+Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O
+        log_k 34.2135
+        delta_h 0 kcal
+Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O
+        log_k 32.3994
+        delta_h 0 kcal
+Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O
+        log_k 30.1528
+        delta_h 0 kcal
 Hg(OH)2 + Br- + H+ = HgBrOH + H2O
-        log_k   11.598
-        delta_h 0       kcal
-Hg(OH)2 + Cl- + 2H+ = HgCl+ + 2H2O
-        log_k   12.85
-        delta_h 0       kcal
-Hg(OH)2 + 2Cl- + 2H+ = HgCl2 + 2H2O
-        log_k   19.2203
-        delta_h 0       kcal
-Hg(OH)2 + 3Cl- + 2H+ = HgCl3- + 2H2O
-        log_k   20.1226
-        delta_h 0       kcal
-Hg(OH)2 + 4Cl- + 2H+ = HgCl4-2 + 2H2O
-        log_k   20.5338
-        delta_h 0       kcal
-Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
-        log_k   25.3532
-        delta_h 0       kcal
+        log_k 11.598
+        delta_h 0 kcal
+Hg(OH)2 + Cl- + 2 H+ = HgCl+ + 2 H2O
+        log_k 12.85
+        delta_h 0 kcal
+Hg(OH)2 + 2 Cl- + 2 H+ = HgCl2 + 2 H2O
+        log_k 19.2203
+        delta_h 0 kcal
+Hg(OH)2 + 3 Cl- + 2 H+ = HgCl3- + 2 H2O
+        log_k 20.1226
+        delta_h 0 kcal
+Hg(OH)2 + 4 Cl- + 2 H+ = HgCl4-2 + 2 H2O
+        log_k 20.5338
+        delta_h 0 kcal
+Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O
+        log_k 25.3532
+        delta_h 0 kcal
 Hg(OH)2 + Cl- + H+ = HgClOH + H2O
-        log_k   9.317
+        log_k 9.317
         delta_h -12.482 kcal
-Hg(OH)2 + F- + 2H+ = HgF+ + 2H2O
-        log_k   8.0848
-        delta_h 0       kcal
-Hg(OH)2 + I- + 2H+ = HgI+ + 2H2O
-        log_k   18.8949
-        delta_h 0       kcal
-Hg(OH)2 + 2I- + 2H+ = HgI2 + 2H2O
-        log_k   30.1081
+Hg(OH)2 + F- + 2 H+ = HgF+ + 2 H2O
+        log_k 8.0848
+        delta_h 0 kcal
+Hg(OH)2 + I- + 2 H+ = HgI+ + 2 H2O
+        log_k 18.8949
+        delta_h 0 kcal
+Hg(OH)2 + 2 I- + 2 H+ = HgI2 + 2 H2O
+        log_k 30.1081
         delta_h -44.522 kcal
-Hg(OH)2 + 3I- + 2H+ = HgI3- + 2H2O
-        log_k   33.7935
+Hg(OH)2 + 3 I- + 2 H+ = HgI3- + 2 H2O
+        log_k 33.7935
         delta_h -47.943 kcal
-Hg(OH)2 + 4I- + 2H+ = HgI4-2 + 2H2O
-        log_k   35.7858
-        delta_h 0       kcal
-Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2H2O
-        log_k   5.6139
-        delta_h 0       kcal
-Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
-        log_k   5.0341
-        delta_h 0       kcal
-Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + H+ + 2H2O
-        log_k   -3.2493
-        delta_h 0       kcal
-Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H+ + 2H2O
-        log_k   -11.7307
-        delta_h 0       kcal
-Hg(OH)2 + NO3- + 2H+ = HgNO3+ + 2H2O
-        log_k   6.4503
-        delta_h 0       kcal
-Hg(OH)2 + 2NO3- + 2H+ = Hg(NO3)2 + 2H2O
-        log_k   4.7791
-        delta_h 0       kcal
+Hg(OH)2 + 4 I- + 2 H+ = HgI4-2 + 2 H2O
+        log_k 35.7858
+        delta_h 0 kcal
+Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2 H2O
+        log_k 5.6139
+        delta_h 0 kcal
+Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O
+        log_k 5.0341
+        delta_h 0 kcal
+Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + H+ + 2 H2O
+        log_k -3.2493
+        delta_h 0 kcal
+Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H+ + 2 H2O
+        log_k -11.7307
+        delta_h 0 kcal
+Hg(OH)2 + NO3- + 2 H+ = HgNO3+ + 2 H2O
+        log_k 6.4503
+        delta_h 0 kcal
+Hg(OH)2 + 2 NO3- + 2 H+ = Hg(NO3)2 + 2 H2O
+        log_k 4.7791
+        delta_h 0 kcal
 Hg(OH)2 + H+ = HgOH+ + H2O
-        log_k   2.6974
-        delta_h 0       kcal
+        log_k 2.6974
+        delta_h 0 kcal
 Hg(OH)2 + H2O = Hg(OH)3- + H+
-        log_k   -15.0042
-        delta_h 0       kcal
-Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
-        log_k   31.2398
-        delta_h 0       kcal
-Hg(OH)2 + 2HS- + 2H+ = Hg(HS)2 + 2H2O
-        log_k   43.8178
-        delta_h 0       kcal
-Hg(OH)2 + SO4-2 + 2H+ = HgSO4 + 2H2O
-        log_k   7.4911
-        delta_h 0       kcal
-Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
-        log_k   9.62
-        delta_h -20.14  kcal
+        log_k -15.0042
+        delta_h 0 kcal
+Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O
+        log_k 31.2398
+        delta_h 0 kcal
+Hg(OH)2 + 2 HS- + 2 H+ = Hg(HS)2 + 2 H2O
+        log_k 43.8178
+        delta_h 0 kcal
+Hg(OH)2 + SO4-2 + 2 H+ = HgSO4 + 2 H2O
+        log_k 7.4911
+        delta_h 0 kcal
+Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O
+        log_k 9.62
+        delta_h -20.14 kcal
 Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
-        log_k   5.62
-        delta_h 0       kcal
+        log_k 5.62
+        delta_h 0 kcal
 Cr(OH)2+ + H2O = Cr(OH)3 + H+
-        log_k   -7.13
-        delta_h 0       kcal
-Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
-        log_k   -18.15
-        delta_h 0       kcal
-Cr(OH)2+ = CrO2- + 2H+
-        log_k   -17.7456
-        delta_h 0       kcal
-Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
-        log_k   7.5519
+        log_k -7.13
+        delta_h 0 kcal
+Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+
+        log_k -18.15
+        delta_h 0 kcal
+Cr(OH)2+ = CrO2- + 2 H+
+        log_k -17.7456
+        delta_h 0 kcal
+Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O
+        log_k 7.5519
         delta_h -11.211 kcal
-Cr(OH)2+ + Cl- + 2H+ = CrCl+2 + 2H2O
-        log_k   9.3683
+Cr(OH)2+ + Cl- + 2 H+ = CrCl+2 + 2 H2O
+        log_k 9.3683
         delta_h -13.847 kcal
-Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
-        log_k   8.658
-        delta_h -9.374  kcal
-Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
-        log_k   2.9627
-        delta_h 0       kcal
-Cr(OH)2+ + F- + 2H+ = CrF+2 + 2H2O
-        log_k   14.5424
+Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O
+        log_k 8.658
+        delta_h -9.374 kcal
+Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O
+        log_k 2.9627
+        delta_h 0 kcal
+Cr(OH)2+ + F- + 2 H+ = CrF+2 + 2 H2O
+        log_k 14.5424
         delta_h -16.789 kcal
-Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
-        log_k   4.8289
-        delta_h 0       kcal
-Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 4H+ + 2H2O
-        log_k   -32.5709
-        delta_h 0       kcal
-Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
-        log_k   -30.2759
-        delta_h 0       kcal
-Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
-        log_k   -29.8574
-        delta_h 0       kcal
+Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O
+        log_k 4.8289
+        delta_h 0 kcal
+Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 4 H+ + 2 H2O
+        log_k -32.5709
+        delta_h 0 kcal
+Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O
+        log_k -30.2759
+        delta_h 0 kcal
+Cr(OH)2+ + 4 NH4+ = Cr(NH3)4(OH)2+ + 4 H+
+        log_k -29.8574
+        delta_h 0 kcal
 #  Don't know difference with previous species
 #  MINTEQ had "CCrNH3)4OH2" for one and "TCrNH3)4OH2"
 #  Equations were the same.
@@ -1836,364 +1840,364 @@ Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
 #Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
 #       log_k   -30.5537
 #       delta_h 0       kcal
-Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
-        log_k   -31.7932
-        delta_h 0       kcal
-Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
-        log_k   -31.887
-        delta_h 0       kcal
-Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
-        log_k   -32.008
-        delta_h 0       kcal
-Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
-        log_k   8.2094
-        delta_h -15.64  kcal
-Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
-        log_k   31.9068
-        delta_h 0       kcal
-Cr(OH)2+ + SO4-2 + 2H+ = CrSO4+ + 2H2O
-        log_k   10.9654
-        delta_h -12.62  kcal
+Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+
+        log_k -31.7932
+        delta_h 0 kcal
+Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O
+        log_k -31.887
+        delta_h 0 kcal
+Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O
+        log_k -32.008
+        delta_h 0 kcal
+Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O
+        log_k 8.2094
+        delta_h -15.64 kcal
+Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O
+        log_k 31.9068
+        delta_h 0 kcal
+Cr(OH)2+ + SO4-2 + 2 H+ = CrSO4+ + 2 H2O
+        log_k 10.9654
+        delta_h -12.62 kcal
 Cr(OH)2+ + SO4-2 + H+ = CrOHSO4 + H2O
-        log_k   8.2754
-        delta_h 0       kcal
-2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
-        log_k   14.5278
-        delta_h 0       kcal
+        log_k 8.2754
+        delta_h 0 kcal
+2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O
+        log_k 14.5278
+        delta_h 0 kcal
 #   Not sure about these two species
 #   One was "Cr2OH2SO4)S" other was "Cr2OH2SO42"
 #   Equation was the same
 #2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
 #       log_k   17.9288
 #       delta_h 0       kcal
-2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
-        log_k   16.155
-        delta_h 0       kcal
+2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O
+        log_k 16.155
+        delta_h 0 kcal
 CrO4-2 + H+ = HCrO4-
-        log_k   6.5089
-        delta_h 0.9     kcal
-CrO4-2 + 2H+ = H2CrO4
-        log_k   5.6513
-        delta_h 0       kcal
-2CrO4-2 + 2H+ = Cr2O7-2 + H2O
-        log_k   14.5571
-        delta_h -2.995  kcal
-CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
-        log_k   7.3086
-        delta_h 0       kcal
-CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
-        log_k   29.3634
-        delta_h 0       kcal
-CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
-        log_k   26.6806
-        delta_h 0       kcal
-CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
-        log_k   8.9937
-        delta_h 0       kcal
+        log_k 6.5089
+        delta_h 0.9 kcal
+CrO4-2 + 2 H+ = H2CrO4
+        log_k 5.6513
+        delta_h 0 kcal
+2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O
+        log_k 14.5571
+        delta_h -2.995 kcal
+CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O
+        log_k 7.3086
+        delta_h 0 kcal
+CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O
+        log_k 29.3634
+        delta_h 0 kcal
+CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O
+        log_k 26.6806
+        delta_h 0 kcal
+CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O
+        log_k 8.9937
+        delta_h 0 kcal
 CrO4-2 + Na+ = NaCrO4-
-        log_k   0.6963
-        delta_h 0       kcal
+        log_k 0.6963
+        delta_h 0 kcal
 CrO4-2 + K+ = KCrO4-
-        log_k   0.799
-        delta_h 0       kcal
-Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
-        log_k   55.4356
-        delta_h -69.68  kcal
-Ca+2 + H+ + Fe+2 + 6Cyanide- + e- = CaHFe(Cyanide)6-2
-        log_k   52.7097
-        delta_h -82     kcal
-K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
-        log_k   48.1204
-        delta_h -84     kcal
-2K+ + Fe+2 + 6Cyanide- = K2Fe(Cyanide)6-2
-        log_k   48.978
-        delta_h -77.3   kcal
-K+ + H+ + Fe+2 + 6Cyanide- = KHFe(Cyanide)6-2
-        log_k   51.4702
-        delta_h -78.1   kcal
-2Li+ + Fe+2 + 6Cyanide- = Li2Fe(Cyanide)6-2
-        log_k   48.5338
+        log_k 0.799
+        delta_h 0 kcal
+Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6-
+        log_k 55.4356
+        delta_h -69.68 kcal
+Ca+2 + H+ + Fe+2 + 6 Cyanide- + e- = CaHFe(Cyanide)6-2
+        log_k 52.7097
+        delta_h -82 kcal
+K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3
+        log_k 48.1204
+        delta_h -84 kcal
+2 K+ + Fe+2 + 6 Cyanide- = K2Fe(Cyanide)6-2
+        log_k 48.978
+        delta_h -77.3 kcal
+K+ + H+ + Fe+2 + 6 Cyanide- = KHFe(Cyanide)6-2
+        log_k 51.4702
+        delta_h -78.1 kcal
+2 Li+ + Fe+2 + 6 Cyanide- = Li2Fe(Cyanide)6-2
+        log_k 48.5338
         delta_h -83.498 kcal
-Li+ + H+ + Fe+2 + 6Cyanide- = LiHFe(Cyanide)6-2
-        log_k   51.2188
+Li+ + H+ + Fe+2 + 6 Cyanide- = LiHFe(Cyanide)6-2
+        log_k 51.2188
         delta_h -80.999 kcal
-NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
-        log_k   48.0684
-        delta_h -84.5   kcal
-NH4+ + H+ + Fe+2 + 6Cyanide- = NH5Fe(Cyanide)6-2
-        log_k   51.4035
-        delta_h -83.9   kcal
-Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
-        log_k   47.9885
-        delta_h -84.9   kcal
-2Na+ + Fe+2 + 6Cyanide- = Na2Fe(Cyanide)6-2
-        log_k   48.7435
-        delta_h -85     kcal
-Na+ + H+ + Fe+2 + 6Cyanide- = NaHFe(Cyanide)6-2
-        log_k   51.4335
-        delta_h -85.6   kcal
-2NH4+ + Fe+2 + 6Cyanide- = (NH4)2FeCyanide6-2
-        log_k   48.8666
-        delta_h -83     kcal
+NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3
+        log_k 48.0684
+        delta_h -84.5 kcal
+NH4+ + H+ + Fe+2 + 6 Cyanide- = NH5Fe(Cyanide)6-2
+        log_k 51.4035
+        delta_h -83.9 kcal
+Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3
+        log_k 47.9885
+        delta_h -84.9 kcal
+2 Na+ + Fe+2 + 6 Cyanide- = Na2Fe(Cyanide)6-2
+        log_k 48.7435
+        delta_h -85 kcal
+Na+ + H+ + Fe+2 + 6 Cyanide- = NaHFe(Cyanide)6-2
+        log_k 51.4335
+        delta_h -85.6 kcal
+2 NH4+ + Fe+2 + 6 Cyanide- = (NH4)2FeCyanide6-2
+        log_k 48.8666
+        delta_h -83 kcal
 Cyanide- + Ag+ + H2O = Ag(Cyanide)OH- + H+
-        log_k   -0.56
-        delta_h 0       kcal
-2Cyanide- + Ag+ = Ag(Cyanide)2-
-        log_k   20.3814
+        log_k -0.56
+        delta_h 0 kcal
+2 Cyanide- + Ag+ = Ag(Cyanide)2-
+        log_k 20.3814
         delta_h -32.675 kcal
-6Cyanide- + 2K+ + 2H+ + Fe+2 = K2H2Fe(Cyanide)6
-        log_k   52.3058
-        delta_h -85.86  kcal
-6Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6-
-        log_k   55.473
-        delta_h -69.5   kcal
-6Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2
-        log_k   49.6898
-        delta_h -83.1   kcal
-6Cyanide- + 2Ca+2 + Fe+2 = Ca2Fe(Cyanide)6
-        log_k   50.9952
-        delta_h -83.7   kcal
+6 Cyanide- + 2 K+ + 2 H+ + Fe+2 = K2H2Fe(Cyanide)6
+        log_k 52.3058
+        delta_h -85.86 kcal
+6 Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6-
+        log_k 55.473
+        delta_h -69.5 kcal
+6 Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2
+        log_k 49.6898
+        delta_h -83.1 kcal
+6 Cyanide- + 2 Ca+2 + Fe+2 = Ca2Fe(Cyanide)6
+        log_k 50.9952
+        delta_h -83.7 kcal
 Cyanide- + Cd+2 = CdCyanide+
-        log_k   5.32
-        delta_h 0       kcal
-2Cyanide- + Cd+2 = Cd(Cyanide)2
-        log_k   10.3703
-        delta_h -13     kcal
-3Cyanide- + Cd+2 = Cd(Cyanide)3-
-        log_k   14.8341
-        delta_h -21.6   kcal
-4Cyanide- + Cd+2 = Cd(Cyanide)4-2
-        log_k   18.2938
-        delta_h -23.56  kcal
-4Cyanide- + Cu+ = Cu(Cyanide)4-3
-        log_k   30.3456
-        delta_h -51.4   kcal
-2Cyanide- + Cu+ = Cu(Cyanide)2-
-        log_k   24.0272
-        delta_h -29.1   kcal
-3Cyanide- + Cu+ = Cu(Cyanide)3-2
-        log_k   28.6524
-        delta_h -40.2   kcal
-6Cyanide- + Fe+2 = Fe(Cyanide)6-4
-        log_k   45.6063
-        delta_h -85.8   kcal
-6Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3
-        log_k   49.9969
-        delta_h -84.16  kcal
-6Cyanide- + 2H+ + Fe+2 = H2Fe(Cyanide)6-2
-        log_k   52.445
-        delta_h -83.1   kcal
-6Cyanide- + Fe+3 = Fe(Cyanide)6-3
-        log_k   52.6283
-        delta_h -70.1   kcal
+        log_k 5.32
+        delta_h 0 kcal
+2 Cyanide- + Cd+2 = Cd(Cyanide)2
+        log_k 10.3703
+        delta_h -13 kcal
+3 Cyanide- + Cd+2 = Cd(Cyanide)3-
+        log_k 14.8341
+        delta_h -21.6 kcal
+4 Cyanide- + Cd+2 = Cd(Cyanide)4-2
+        log_k 18.2938
+        delta_h -23.56 kcal
+4 Cyanide- + Cu+ = Cu(Cyanide)4-3
+        log_k 30.3456
+        delta_h -51.4 kcal
+2 Cyanide- + Cu+ = Cu(Cyanide)2-
+        log_k 24.0272
+        delta_h -29.1 kcal
+3 Cyanide- + Cu+ = Cu(Cyanide)3-2
+        log_k 28.6524
+        delta_h -40.2 kcal
+6 Cyanide- + Fe+2 = Fe(Cyanide)6-4
+        log_k 45.6063
+        delta_h -85.8 kcal
+6 Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3
+        log_k 49.9969
+        delta_h -84.16 kcal
+6 Cyanide- + 2 H+ + Fe+2 = H2Fe(Cyanide)6-2
+        log_k 52.445
+        delta_h -83.1 kcal
+6 Cyanide- + Fe+3 = Fe(Cyanide)6-3
+        log_k 52.6283
+        delta_h -70.1 kcal
 Cyanide- + H+ = HCyanide
-        log_k   9.2356
-        delta_h -10.4   kcal
+        log_k 9.2356
+        delta_h -10.4 kcal
 Cyanate- + H+ = HCyanate
-        log_k   3.445
-        delta_h -2      kcal
-Cyanide- + Hg(OH)2 + 2H+ = HgCyanide+ + 2H2O
-        log_k   24.1738
-        delta_h -33.83  kcal
-2Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)2 + 2H2O
-        log_k   40.6513
-        delta_h -57.24  kcal
-3Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)3- + 2H2O
-        log_k   44.4042
-        delta_h -64.83  kcal
-4Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)4-2 + 2H2O
-        log_k   47.4094
-        delta_h -69.93  kcal
-2Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)2Cl- + 2H2O
-        log_k   40.3735
-        delta_h 0       kcal
-3Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Cl-2 + 2H2O
-        log_k   43.8332
-        delta_h 0       kcal
-3Cyanide- + Br- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Br-2 + 2H2O
-        log_k   44.9415
-        delta_h 0       kcal
-Cyanide- + 2I- = I2Cyanide- + 2e-
-        log_k   -11.848
-        delta_h 0       kcal
-2Cyanide- + I- = I(Cyanide)2- + 2e-
-        log_k   -11.458
-        delta_h 0       kcal
-6Cyanide- + 3K+ + H+ + Fe+2 = K3HFe(Cyanide)6
-        log_k   50.2241
-        delta_h -85.99  kcal
-6Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3
-        log_k   47.6858
+        log_k 3.445
+        delta_h -2 kcal
+Cyanide- + Hg(OH)2 + 2 H+ = HgCyanide+ + 2 H2O
+        log_k 24.1738
+        delta_h -33.83 kcal
+2 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2 + 2 H2O
+        log_k 40.6513
+        delta_h -57.24 kcal
+3 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3- + 2 H2O
+        log_k 44.4042
+        delta_h -64.83 kcal
+4 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)4-2 + 2 H2O
+        log_k 47.4094
+        delta_h -69.93 kcal
+2 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2Cl- + 2 H2O
+        log_k 40.3735
+        delta_h 0 kcal
+3 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Cl-2 + 2 H2O
+        log_k 43.8332
+        delta_h 0 kcal
+3 Cyanide- + Br- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Br-2 + 2 H2O
+        log_k 44.9415
+        delta_h 0 kcal
+Cyanide- + 2 I- = I2Cyanide- + 2 e-
+        log_k -11.848
+        delta_h 0 kcal
+2 Cyanide- + I- = I(Cyanide)2- + 2 e-
+        log_k -11.458
+        delta_h 0 kcal
+6 Cyanide- + 3 K+ + H+ + Fe+2 = K3HFe(Cyanide)6
+        log_k 50.2241
+        delta_h -85.99 kcal
+6 Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3
+        log_k 47.6858
         delta_h -80.149 kcal
-6Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6-
-        log_k   55.3916
-        delta_h -69.31  kcal
-6Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2
-        log_k   49.4251
-        delta_h 0       kcal
-4Cyanide- + Ni+2 = Ni(Cyanide)4-2
-        log_k   30.1257
-        delta_h -43.19  kcal
-Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
-        log_k   55.6181
-        delta_h -69.83  kcal
-4Cyanide- + Tl+ = Tl(Cyanide)4- + 2e-
-        log_k   -8.0189
-        delta_h 0       kcal
-6Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3
-        log_k   48.7508
-        delta_h -84.88  kcal
-4Cyanide- + Zn+2 = Zn(Cyanide)4-2
-        log_k   16.715
+6 Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6-
+        log_k 55.3916
+        delta_h -69.31 kcal
+6 Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2
+        log_k 49.4251
+        delta_h 0 kcal
+4 Cyanide- + Ni+2 = Ni(Cyanide)4-2
+        log_k 30.1257
+        delta_h -43.19 kcal
+Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6-
+        log_k 55.6181
+        delta_h -69.83 kcal
+4 Cyanide- + Tl+ = Tl(Cyanide)4- + 2 e-
+        log_k -8.0189
+        delta_h 0 kcal
+6 Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3
+        log_k 48.7508
+        delta_h -84.88 kcal
+4 Cyanide- + Zn+2 = Zn(Cyanide)4-2
+        log_k 16.715
         delta_h -25.539 kcal
-3Cyanide- + Zn+2 = Zn(Cyanide)3-
-        log_k   16.048
+3 Cyanide- + Zn+2 = Zn(Cyanide)3-
+        log_k 16.048
         delta_h -20.199 kcal
-2Cyanide- + Zn+2 = Zn(Cyanide)2
-        log_k   11.071
+2 Cyanide- + Zn+2 = Zn(Cyanide)2
+        log_k 11.071
         delta_h -10.999 kcal
-3Cyanide- + Ni+2 = Ni(Cyanide)3-
-        log_k   22.6346
-        delta_h 0       kcal
-4Cyanide- + Ni+2 + H+ = NiH(Cyanide)4-
-        log_k   36.7482
-        delta_h 0       kcal
-4Cyanide- + Ni+2 + 2H+ = NiH2Cyanide4
-        log_k   41.4576
-        delta_h 0       kcal
-4Cyanide- + Ni+2 + 3H+ = NiH3(Cyanide)4+
-        log_k   43.9498
-        delta_h 0       kcal
-2Cyanide- + Ni+2 = Ni(Cyanide)2
-        log_k   14.5864
-        delta_h 0       kcal
-6Cyanide- + 2Fe+3 = Fe2(Cyanide)6
-        log_k   56.9822
-        delta_h 0       kcal
-2Cyanate- + Ag+ = Ag(Cyanate)2-
-        log_k   5.0034
-        delta_h 0       kcal
-3Cyanide- + Ag+ = Ag(Cyanide)3-2
-        log_k   21.4002
+3 Cyanide- + Ni+2 = Ni(Cyanide)3-
+        log_k 22.6346
+        delta_h 0 kcal
+4 Cyanide- + Ni+2 + H+ = NiH(Cyanide)4-
+        log_k 36.7482
+        delta_h 0 kcal
+4 Cyanide- + Ni+2 + 2 H+ = NiH2Cyanide4
+        log_k 41.4576
+        delta_h 0 kcal
+4 Cyanide- + Ni+2 + 3 H+ = NiH3(Cyanide)4+
+        log_k 43.9498
+        delta_h 0 kcal
+2 Cyanide- + Ni+2 = Ni(Cyanide)2
+        log_k 14.5864
+        delta_h 0 kcal
+6 Cyanide- + 2 Fe+3 = Fe2(Cyanide)6
+        log_k 56.9822
+        delta_h 0 kcal
+2 Cyanate- + Ag+ = Ag(Cyanate)2-
+        log_k 5.0034
+        delta_h 0 kcal
+3 Cyanide- + Ag+ = Ag(Cyanide)3-2
+        log_k 21.4002
         delta_h -33.495 kcal
-6Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2
-        log_k   49.4032
-        delta_h 0       kcal
+6 Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2
+        log_k 49.4032
+        delta_h 0 kcal
 Acetate- + H+ = HAcetate
-        log_k   4.76
-        delta_h 0       kcal
-        -gamma  0       0.06
+        log_k 4.76
+        delta_h 0 kcal
+        -gamma 0 0.06
 Tartrate-2 + H+ = HTartrate-
-        log_k   4.16
-        delta_h 0       kcal
-        -gamma  0       0.01
-Tartrate-2 + 2H+ = H2Tartrate
-        log_k   6.67
-        delta_h 0       kcal
-        -gamma  0       0.01
+        log_k 4.16
+        delta_h 0 kcal
+        -gamma 0 0.01
+Tartrate-2 + 2 H+ = H2Tartrate
+        log_k 6.67
+        delta_h 0 kcal
+        -gamma 0 0.01
 Glycine- + H+ = HGlycine
-        log_k   9.78
-        delta_h 0       kcal
-        -gamma  0       0.07
-Glycine- + 2H+ = H2Glycine+
-        log_k   12.12
-        delta_h 0       kcal
-        -gamma  0       0.07
+        log_k 9.78
+        delta_h 0 kcal
+        -gamma 0 0.07
+Glycine- + 2 H+ = H2Glycine+
+        log_k 12.12
+        delta_h 0 kcal
+        -gamma 0 0.07
 Salicylate-2 + H+ = HSalicylate-
-        log_k   13.4
-        delta_h 0       kcal
-        -gamma  0       0.01
-Salicylate-2 + 2H+ = H2Salicylate
-        log_k   16.4
-        delta_h 0       kcal
-        -gamma  0       0.01
+        log_k 13.4
+        delta_h 0 kcal
+        -gamma 0 0.01
+Salicylate-2 + 2 H+ = H2Salicylate
+        log_k 16.4
+        delta_h 0 kcal
+        -gamma 0 0.01
 Glutamate-2 + H+ = HGlutamate-
-        log_k   9.95
-        delta_h 0       kcal
-        -gamma  0       0.01
-Glutamate-2 + 2H+ = H2Glutamate
-        log_k   14.37
-        delta_h 0       kcal
-        -gamma  0       0.01
+        log_k 9.95
+        delta_h 0 kcal
+        -gamma 0 0.01
+Glutamate-2 + 2 H+ = H2Glutamate
+        log_k 14.37
+        delta_h 0 kcal
+        -gamma 0 0.01
 Phthalate-2 + H+ = HPhthalate-
-        log_k   5.4
-        delta_h 0       kcal
-        -gamma  0       0.01
-Phthalate-2 + 2H+ = H2Phthalate
-        log_k   8.35
-        delta_h 0       kcal
-        -gamma  0       0.01
+        log_k 5.4
+        delta_h 0 kcal
+        -gamma 0 0.01
+Phthalate-2 + 2 H+ = H2Phthalate
+        log_k 8.35
+        delta_h 0 kcal
+        -gamma 0 0.01
 Cd+2 + Acetate- = CdAcetate+
-        log_k   1.93
-        delta_h 0       kcal
-        -gamma  0       0.01
+        log_k 1.93
+        delta_h 0 kcal
+        -gamma 0 0.01
 Cd+2 + Tartrate-2 = CdTartrate
-        log_k   3.9
-        delta_h 0       kcal
-        -gamma  0       0.02
+        log_k 3.9
+        delta_h 0 kcal
+        -gamma 0 0.02
 Cd+2 + Glycine- = CdGlycine+
-        log_k   4.8
-        delta_h 0       kcal
-Cd+2 + 2Glycine- = CdGlycine2
-        log_k   8.4
-        delta_h 0       kcal
+        log_k 4.8
+        delta_h 0 kcal
+Cd+2 + 2 Glycine- = CdGlycine2
+        log_k 8.4
+        delta_h 0 kcal
 Cd+2 + Glutamate-2 = CdGlutamate
-        log_k   4.78
-        delta_h 0       kcal
-Cd+2 + 2Glutamate-2 = CdGlutamate2-2
-        log_k   2.78
-        delta_h 0       kcal
+        log_k 4.78
+        delta_h 0 kcal
+Cd+2 + 2 Glutamate-2 = CdGlutamate2-2
+        log_k 2.78
+        delta_h 0 kcal
 Cd+2 + Phthalate-2 = CdPhthalate
-        log_k   2.5
-        delta_h 0       kcal
+        log_k 2.5
+        delta_h 0 kcal
 Pb+2 + Tartrate-2 = PbTartrate
-        log_k   3.78
-        delta_h 0       kcal
+        log_k 3.78
+        delta_h 0 kcal
 Pb+2 + Glycine- = PbGlycine+
-        log_k   5.47
-        delta_h 0       kcal
-Pb+2 + 2Glycine- = PbGlycine2
-        log_k   8.32
-        delta_h 0       kcal
+        log_k 5.47
+        delta_h 0 kcal
+Pb+2 + 2 Glycine- = PbGlycine2
+        log_k 8.32
+        delta_h 0 kcal
 Ba+2 + Acetate- = BaAcetate+
-        log_k   1.07
-        delta_h 0       kcal
+        log_k 1.07
+        delta_h 0 kcal
 Ba+2 + Tartrate-2 = BaTartrate
-        log_k   2.54
-        delta_h 0       kcal
+        log_k 2.54
+        delta_h 0 kcal
 Ba+2 + Glycine- = BaGlycine+
-        log_k   0.77
-        delta_h 0       kcal
+        log_k 0.77
+        delta_h 0 kcal
 Ba+2 + Salicylate-2 = BaSalicylate
-        log_k   0.21
-        delta_h 0       kcal
+        log_k 0.21
+        delta_h 0 kcal
 Ba+2 + Glutamate-2 = BaGlutamate
-        log_k   1.28
-        delta_h 0       kcal
+        log_k 1.28
+        delta_h 0 kcal
 Ba+2 + Phthalate-2 = BaPhthalate
-        log_k   2.33
-        delta_h 0       kcal
+        log_k 2.33
+        delta_h 0 kcal
 Ag+ + Acetate- = AgAcetate
-        log_k   0.73
-        delta_h 0       kcal
-Ag+ + 2Acetate- = AgAcetate2-
-        log_k   0.64
-        delta_h 0       kcal
+        log_k 0.73
+        delta_h 0 kcal
+Ag+ + 2 Acetate- = AgAcetate2-
+        log_k 0.64
+        delta_h 0 kcal
 Ag+ + Glycine- = AgGlycine
-        log_k   3.51
-        delta_h 0       kcal
-Ag+ + 2Glycine- = AgGlycine2-
-        log_k   3.38
-        delta_h 0       kcal
-Cr(OH)2+ + Acetate- + 2H+ = CrAcetate+2 + 2H2O
-        log_k   14.25
-        delta_h 0       kcal
-Cr(OH)2+ + 2Acetate- + 2H+ = CrAcetate2+ + 2H2O
-        log_k   16.68
-        delta_h 0       kcal
-Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O
-        log_k   19.2
-        delta_h 0       kcal
+        log_k 3.51
+        delta_h 0 kcal
+Ag+ + 2 Glycine- = AgGlycine2-
+        log_k 3.38
+        delta_h 0 kcal
+Cr(OH)2+ + Acetate- + 2 H+ = CrAcetate+2 + 2 H2O
+        log_k 14.25
+        delta_h 0 kcal
+Cr(OH)2+ + 2 Acetate- + 2 H+ = CrAcetate2+ + 2 H2O
+        log_k 16.68
+        delta_h 0 kcal
+Cr(OH)2+ + 3 Acetate- + 2 H+ = CrAcetate3 + 2 H2O
+        log_k 19.2
+        delta_h 0 kcal
 # Could not interpret MINTEQ data
 #Cr(OH)2+ + Glycine- = CrGlycine+2
 #       log_k   8.4
@@ -2204,2654 +2208,2654 @@ Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O
 #Cr(OH)2+ + 3Glycine- = CrGlycine3-
 #       log_k   5.7
 #       delta_h 0       kcal
-Cr(OH)2+ + Phthalate-2 + 2H+ = CrPhthalate+ + 2H2O
-        log_k   15.14
-        delta_h 0       kcal
-Cr(OH)2+ + 2Phthalate-2 + 2H+ = CrPhthalate2- + 2H2O
-        log_k   19.62
-        delta_h 0       kcal
-Cr(OH)2+ + 3Phthalate-2 + 2H+ = CrPhthalate3-3 + 2H2O
-        log_k   22.1
-        delta_h 0       kcal
+Cr(OH)2+ + Phthalate-2 + 2 H+ = CrPhthalate+ + 2 H2O
+        log_k 15.14
+        delta_h 0 kcal
+Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = CrPhthalate2- + 2 H2O
+        log_k 19.62
+        delta_h 0 kcal
+Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = CrPhthalate3-3 + 2 H2O
+        log_k 22.1
+        delta_h 0 kcal
 Tl+ + Tartrate-2 = TlTartrate-
-        log_k   1.39
-        delta_h 0       kcal
+        log_k 1.39
+        delta_h 0 kcal
 Hg2+2 + Glycine- = Hg2Glycine+
-        log_k   10.8
-        delta_h 0       kcal
-Hg2+2 + 2Glycine- = Hg2Glycine2
-        log_k   20
-        delta_h 0       kcal
+        log_k 10.8
+        delta_h 0 kcal
+Hg2+2 + 2 Glycine- = Hg2Glycine2
+        log_k 20
+        delta_h 0 kcal
 Cd+2 + Butanoate- = CdButanoate+
-        log_k   1.25
-        delta_h 0       kcal
+        log_k 1.25
+        delta_h 0 kcal
 Cd+2 + Citrate-3 = CdCitrate-
-        log_k   5.3
-        delta_h 0       kcal
-Cd+2 + Citrate-3 + 2H+ = CdH2Citrate+
-        log_k   2.05
-        delta_h 0       kcal
+        log_k 5.3
+        delta_h 0 kcal
+Cd+2 + Citrate-3 + 2 H+ = CdH2Citrate+
+        log_k 2.05
+        delta_h 0 kcal
 Cd+2 + Citrate-3 + H+ = CdHCitrate
-        log_k   3.37
-        delta_h 0       kcal
-Cd+2 + 2Citrate-3 = CdCitrate2-4
-        log_k   5.34
-        delta_h 0       kcal
+        log_k 3.37
+        delta_h 0 kcal
+Cd+2 + 2 Citrate-3 = CdCitrate2-4
+        log_k 5.34
+        delta_h 0 kcal
 Cd+2 + Edta-4 + H+ = CdHEdta-
-        log_k   2.9
-        delta_h 0       kcal
-Cd+2 + 2Acetate- = CdAcetate2
-        log_k   3.15
-        delta_h 0       kcal
-Cd+2 + 3Acetate- = CdAcetate3-
-        log_k   2.17
-        delta_h 0       kcal
-Cd+2 + 4Acetate- = CdAcetate4-2
-        log_k   2.04
-        delta_h 0       kcal
+        log_k 2.9
+        delta_h 0 kcal
+Cd+2 + 2 Acetate- = CdAcetate2
+        log_k 3.15
+        delta_h 0 kcal
+Cd+2 + 3 Acetate- = CdAcetate3-
+        log_k 2.17
+        delta_h 0 kcal
+Cd+2 + 4 Acetate- = CdAcetate4-2
+        log_k 2.04
+        delta_h 0 kcal
 Cd+2 + Diethylamine = CdDiethylamine+2
-        log_k   2.62
-        delta_h 0       kcal
-Cd+2 + 2Diethylamine = CdDiethylamine2+2
-        log_k   4.86
-        delta_h 0       kcal
-Cd+2 + 3Diethylamine = CdDiethylamine3+2
-        log_k   6.36
-        delta_h 0       kcal
-Cd+2 + 4Diethylamine = CdDiethylamine4+2
-        log_k   7.31
-        delta_h 0       kcal
+        log_k 2.62
+        delta_h 0 kcal
+Cd+2 + 2 Diethylamine = CdDiethylamine2+2
+        log_k 4.86
+        delta_h 0 kcal
+Cd+2 + 3 Diethylamine = CdDiethylamine3+2
+        log_k 6.36
+        delta_h 0 kcal
+Cd+2 + 4 Diethylamine = CdDiethylamine4+2
+        log_k 7.31
+        delta_h 0 kcal
 Cd+2 + Propanoate- = CdPropanoate+
-        log_k   1.19
-        delta_h 0       kcal
-Cd+2 + 2Propanoate- = CdPropanoate2
-        log_k   1.86
-        delta_h 0       kcal
-Cd+2 + 3Propanoate- = CdPropanoate3-
-        log_k   2.345
-        delta_h 0       kcal
-Cd+2 + 4Propanoate- = CdPropanoate4-2
-        log_k   1.98
-        delta_h 0       kcal
-Cd+2 + 2Butanoate- = CdButanoate2
-        log_k   1.98
-        delta_h 0       kcal
-Cd+2 + 3Butanoate- = CdButanoate3-
-        log_k   2.34
-        delta_h 0       kcal
-Cd+2 + 4Butanoate- = CdButanoate4-2
-        log_k   1.98
-        delta_h 0       kcal
+        log_k 1.19
+        delta_h 0 kcal
+Cd+2 + 2 Propanoate- = CdPropanoate2
+        log_k 1.86
+        delta_h 0 kcal
+Cd+2 + 3 Propanoate- = CdPropanoate3-
+        log_k 2.345
+        delta_h 0 kcal
+Cd+2 + 4 Propanoate- = CdPropanoate4-2
+        log_k 1.98
+        delta_h 0 kcal
+Cd+2 + 2 Butanoate- = CdButanoate2
+        log_k 1.98
+        delta_h 0 kcal
+Cd+2 + 3 Butanoate- = CdButanoate3-
+        log_k 2.34
+        delta_h 0 kcal
+Cd+2 + 4 Butanoate- = CdButanoate4-2
+        log_k 1.98
+        delta_h 0 kcal
 Cd+2 + Npropylamine = CdNpropylamine+2
-        log_k   2.62
-        delta_h 0       kcal
-Cd+2 + 2Npropylamine = CdNpropylamine2+2
-        log_k   4.64
-        delta_h 0       kcal
-Cd+2 + 3Npropylamine = CdNpropylamine3+2
-        log_k   6.03
-        delta_h 0       kcal
+        log_k 2.62
+        delta_h 0 kcal
+Cd+2 + 2 Npropylamine = CdNpropylamine2+2
+        log_k 4.64
+        delta_h 0 kcal
+Cd+2 + 3 Npropylamine = CdNpropylamine3+2
+        log_k 6.03
+        delta_h 0 kcal
 Cd+2 + Isopropylamine = CdIsopropylamine+2
-        log_k   2.55
-        delta_h 0       kcal
-Cd+2 + 2Isopropylamine = CdIsopropylamine2+2
-        log_k   4.57
-        delta_h 0       kcal
-Cd+2 + 3Isopropylamine = CdIsopropylamine3+2
-        log_k   6.07
-        delta_h 0       kcal
-Cd+2 + 4Isopropylamine = CdIsopropylamine4+2
-        log_k   6.9
-        delta_h 0       kcal
+        log_k 2.55
+        delta_h 0 kcal
+Cd+2 + 2 Isopropylamine = CdIsopropylamine2+2
+        log_k 4.57
+        delta_h 0 kcal
+Cd+2 + 3 Isopropylamine = CdIsopropylamine3+2
+        log_k 6.07
+        delta_h 0 kcal
+Cd+2 + 4 Isopropylamine = CdIsopropylamine4+2
+        log_k 6.9
+        delta_h 0 kcal
 Benzoate- + H+ = HBenzoate
-        log_k   4.2
-        delta_h 0       kcal
-Para_acetate- + 2H+ = H2Para_acetate+
-        log_k   4.31
-        delta_h 0       kcal
+        log_k 4.2
+        delta_h 0 kcal
+Para_acetate- + 2 H+ = H2Para_acetate+
+        log_k 4.31
+        delta_h 0 kcal
 Isophthalate-2 + H+ = HIsophthalate-
-        log_k   3.5
-        delta_h 0       kcal
-Isophthalate-2 + 2H+ = H2Isophthalate
-        log_k   8
-        delta_h 0       kcal
+        log_k 3.5
+        delta_h 0 kcal
+Isophthalate-2 + 2 H+ = H2Isophthalate
+        log_k 8
+        delta_h 0 kcal
 Propanoate- + Fe+3 = FePropanoate+2
-        log_k   3.4
-        delta_h 0       kcal
+        log_k 3.4
+        delta_h 0 kcal
 Isobutyrate- + Fe+3 = FeIsobutyrate+2
-        log_k   3.6
-        delta_h 0       kcal
+        log_k 3.6
+        delta_h 0 kcal
 Butanoate- + Fe+3 = FeButanoate+2
-        log_k   5.56
-        delta_h 0       kcal
+        log_k 5.56
+        delta_h 0 kcal
 Isovalerate- + Fe+3 = FeIsovalerate+2
-        log_k   5.58
-        delta_h 0       kcal
+        log_k 5.58
+        delta_h 0 kcal
 Valerate- + Fe+3 = FeValerate+2
-        log_k   5.58
-        delta_h 0       kcal
+        log_k 5.58
+        delta_h 0 kcal
 Benzoate- + Cu+2 = CuBenzoate+
-        log_k   2.1
-        delta_h 0       kcal
+        log_k 2.1
+        delta_h 0 kcal
 Para_acetate- + Cu+2 = CuPara_acetate+
-        log_k   1.97
-        delta_h 0       kcal
+        log_k 1.97
+        delta_h 0 kcal
 Isobutyrate- + Ba+2 = BaIsobutyrate+
-        log_k   0.64
-        delta_h 0       kcal
+        log_k 0.64
+        delta_h 0 kcal
 Isovalerate- + Ba+2 = BaIsovalerate+
-        log_k   0.68
-        delta_h 0       kcal
+        log_k 0.68
+        delta_h 0 kcal
 Valerate- + Ba+2 = BaValerate+
-        log_k   0.66
-        delta_h 0       kcal
+        log_k 0.66
+        delta_h 0 kcal
 Isophthalate-2 + Ba+2 = BaIsophthalate
-        log_k   1.55
-        delta_h 0       kcal
+        log_k 1.55
+        delta_h 0 kcal
 Isobutyrate- + Cd+2 = CdIsobutyrate+
-        log_k   1.17
-        delta_h 0       kcal
+        log_k 1.17
+        delta_h 0 kcal
 Valerate- + Cd+2 = CdValerate+
-        log_k   1.19
-        delta_h 0       kcal
+        log_k 1.19
+        delta_h 0 kcal
 Benzoate- + Cd+2 = CdBenzoate+
-        log_k   1.9
-        delta_h 0       kcal
-2Benzoate- + Cd+2 = CdBenzoate2
-        log_k   1.65
-        delta_h 0       kcal
+        log_k 1.9
+        delta_h 0 kcal
+2 Benzoate- + Cd+2 = CdBenzoate2
+        log_k 1.65
+        delta_h 0 kcal
 Para_acetate- + Zn+2 = ZnPara_acetate+
-        log_k   1.67
-        delta_h 0       kcal
+        log_k 1.67
+        delta_h 0 kcal
 Para_acetate- + Cd+2 = CdPara_acetate+
-        log_k   1.15
-        delta_h 0       kcal
-2Para_acetate- + Cd+2 = CdPara_acetate2
-        log_k   1.92
-        delta_h 0       kcal
+        log_k 1.15
+        delta_h 0 kcal
+2 Para_acetate- + Cd+2 = CdPara_acetate2
+        log_k 1.92
+        delta_h 0 kcal
 Isophthalate-2 + Cd+2 = CdIsophthalate
-        log_k   1.33
-        delta_h 0       kcal
-2Isophthalate-2 + Cd+2 = CdIsophthalate2-2
-        log_k   2.17
-        delta_h 0       kcal
-2Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H-
-        log_k   5.32
-        delta_h 0       kcal
-2H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2H2O
-        log_k   12.73
-        delta_h 0       kcal
-2H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2H2O
-        log_k   12.74
-        delta_h 0       kcal
-2H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2H2O
-        log_k   12.76
-        delta_h 0       kcal
-2H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2H2O
-        log_k   12.75
-        delta_h 0       kcal
+        log_k 1.33
+        delta_h 0 kcal
+2 Isophthalate-2 + Cd+2 = CdIsophthalate2-2
+        log_k 2.17
+        delta_h 0 kcal
+2 Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H-
+        log_k 5.32
+        delta_h 0 kcal
+2 H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2 H2O
+        log_k 12.73
+        delta_h 0 kcal
+2 H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2 H2O
+        log_k 12.74
+        delta_h 0 kcal
+2 H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2 H2O
+        log_k 12.76
+        delta_h 0 kcal
+2 H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2 H2O
+        log_k 12.75
+        delta_h 0 kcal
 Isobutyrate- + Pb+2 = PbIsobutyrate+
-        log_k   2.67
-        delta_h 0       kcal
+        log_k 2.67
+        delta_h 0 kcal
 Isovalerate- + Pb+2 = PbIsovalerate+
-        log_k   2.05
-        delta_h 0       kcal
+        log_k 2.05
+        delta_h 0 kcal
 Valerate- + Pb+2 = PbValerate+
-        log_k   2.06
-        delta_h 0       kcal
+        log_k 2.06
+        delta_h 0 kcal
 Benzoate- + Pb+2 = PbBenzoate+
-        log_k   2.5
-        delta_h 0       kcal
+        log_k 2.5
+        delta_h 0 kcal
 Benzoate- + Mg+2 = MgBenzoate+
-        log_k   0.1
-        delta_h 0       kcal
+        log_k 0.1
+        delta_h 0 kcal
 Benzoate- + Ca+2 = CaBenzoate+
-        log_k   0.2
-        delta_h 0       kcal
+        log_k 0.2
+        delta_h 0 kcal
 Benzoate- + Zn+2 = ZnBenzoate+
-        log_k   1.4
-        delta_h 0       kcal
+        log_k 1.4
+        delta_h 0 kcal
 Isophthalate-2 + Pb+2 = PbIsophthalate
-        log_k   2.17
-        delta_h 0       kcal
-2Isophthalate-2 + Pb+2 = PbIsophthalate2-2
-        log_k   3.36
-        delta_h 0       kcal
+        log_k 2.17
+        delta_h 0 kcal
+2 Isophthalate-2 + Pb+2 = PbIsophthalate2-2
+        log_k 3.36
+        delta_h 0 kcal
 Isophthalate-2 + Pb+2 + H+ = PbIsophthalateH+
-        log_k   6.28
-        delta_h 0       kcal
-2H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2H2O
-        log_k   10.687
-        delta_h 0       kcal
-2H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2H2O
-        log_k   10.097
-        delta_h 0       kcal
-2H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2H2O
-        log_k   10.717
-        delta_h 0       kcal
-2H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2H2O
-        log_k   10.727
-        delta_h 0       kcal
-2H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2H2O
-        log_k   10.997
-        delta_h 0       kcal
+        log_k 6.28
+        delta_h 0 kcal
+2 H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2 H2O
+        log_k 10.687
+        delta_h 0 kcal
+2 H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2 H2O
+        log_k 10.097
+        delta_h 0 kcal
+2 H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2 H2O
+        log_k 10.717
+        delta_h 0 kcal
+2 H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2 H2O
+        log_k 10.727
+        delta_h 0 kcal
+2 H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2 H2O
+        log_k 10.997
+        delta_h 0 kcal
 Isobutyrate- + Ni+2 = NiIsobutyrate+
-        log_k   1.23
-        delta_h 0       kcal
+        log_k 1.23
+        delta_h 0 kcal
 Isovalerate- + Ni+2 = NiIsovalerate+
-        log_k   1.27
-        delta_h 0       kcal
+        log_k 1.27
+        delta_h 0 kcal
 Valerate- + Ni+2 = NiValerate+
-        log_k   1.26
-        delta_h 0       kcal
+        log_k 1.26
+        delta_h 0 kcal
 Benzoate- + Ni+2 = NiBenzoate+
-        log_k   1.4
-        delta_h 0       kcal
+        log_k 1.4
+        delta_h 0 kcal
 Para_acetate- + Ni+2 = NiPara_acetate+
-        log_k   0.65
-        delta_h 0       kcal
-2Para_acetate- + Ni+2 = NiPara_acetate2
-        log_k   0.99
-        delta_h 0       kcal
+        log_k 0.65
+        delta_h 0 kcal
+2 Para_acetate- + Ni+2 = NiPara_acetate2
+        log_k 0.99
+        delta_h 0 kcal
 Phthalate-2 + Ni+2 + H+ = NiPhthalateH+
-        log_k   6.1
-        delta_h 0       kcal
+        log_k 6.1
+        delta_h 0 kcal
 Cr+2 + Edta-4 + H+ = CrHEdta-
-        log_k   6.1
-        delta_h 0       kcal
-Cr(OH)2+ + Propanoate- + 2H+ = CrPropanoate+2 + 2H2O
-        log_k   14.32
-        delta_h 0       kcal
-Cr(OH)2+ + 2Propanoate- + 2H+ = CrPropanoate2+ + 2H2O
-        log_k   16.66
-        delta_h 0       kcal
-Cr(OH)2+ + 3Propanoate- + 2H+ = CrPropanoate3 + 2H2O
-        log_k   19.32
-        delta_h 0       kcal
+        log_k 6.1
+        delta_h 0 kcal
+Cr(OH)2+ + Propanoate- + 2 H+ = CrPropanoate+2 + 2 H2O
+        log_k 14.32
+        delta_h 0 kcal
+Cr(OH)2+ + 2 Propanoate- + 2 H+ = CrPropanoate2+ + 2 H2O
+        log_k 16.66
+        delta_h 0 kcal
+Cr(OH)2+ + 3 Propanoate- + 2 H+ = CrPropanoate3 + 2 H2O
+        log_k 19.32
+        delta_h 0 kcal
 Cr+2 + Acetate- = CrAcetate+
-        log_k   1.8
-        delta_h 0       kcal
-Cr+2 + 2Acetate- = CrAcetate2
-        log_k   2.92
-        delta_h 0       kcal
+        log_k 1.8
+        delta_h 0 kcal
+Cr+2 + 2 Acetate- = CrAcetate2
+        log_k 2.92
+        delta_h 0 kcal
 Cu+2 + Edta-4 = CuEdta-2
-        log_k   18.785
-        delta_h 0       kcal
+        log_k 18.785
+        delta_h 0 kcal
 Cu+2 + Edta-4 + H+ = CuHEdta-
-        log_k   11.195
-        delta_h 0       kcal
-Cu+2 + 2Acetate- = CuAcetate2
-        log_k   3.63
-        delta_h 0       kcal
-Cu+2 + 3Acetate- = CuAcetate3-
-        log_k   3.1
-        delta_h 0       kcal
-Cu+2 + 4Acetate- = CuAcetate4-2
-        log_k   2.9
-        delta_h 0       kcal
+        log_k 11.195
+        delta_h 0 kcal
+Cu+2 + 2 Acetate- = CuAcetate2
+        log_k 3.63
+        delta_h 0 kcal
+Cu+2 + 3 Acetate- = CuAcetate3-
+        log_k 3.1
+        delta_h 0 kcal
+Cu+2 + 4 Acetate- = CuAcetate4-2
+        log_k 2.9
+        delta_h 0 kcal
 Cu+2 + Propanoate- = CuPropanoate+
-        log_k   2.22
-        delta_h 0       kcal
-Cu+2 + 2Propanoate- = CuPropanoate2
-        log_k   2.62
-        delta_h 0       kcal
-Cu+2 + 3Propanoate- = CuPropanoate3-
-        log_k   2.3
-        delta_h 0       kcal
-Cu+2 + 4Propanoate- = CuPropanoate4-2
-        log_k   2.7
-        delta_h 0       kcal
-Cu+2 + 2Methylamine = CuMethylamine2+2
-        log_k   7.51
-        delta_h 0       kcal
+        log_k 2.22
+        delta_h 0 kcal
+Cu+2 + 2 Propanoate- = CuPropanoate2
+        log_k 2.62
+        delta_h 0 kcal
+Cu+2 + 3 Propanoate- = CuPropanoate3-
+        log_k 2.3
+        delta_h 0 kcal
+Cu+2 + 4 Propanoate- = CuPropanoate4-2
+        log_k 2.7
+        delta_h 0 kcal
+Cu+2 + 2 Methylamine = CuMethylamine2+2
+        log_k 7.51
+        delta_h 0 kcal
 Cu+2 + Dimethylamine = CuDimethylamine+2
-        log_k   3.21
-        delta_h 0       kcal
-Cu+2 + 2Dimethylamine = CuDimethylamine2+2
-        log_k   5.66
-        delta_h 0       kcal
-Cu+2 + 3Dimethylamine = CuDimethylamine3+2
-        log_k   7.26
-        delta_h 0       kcal
+        log_k 3.21
+        delta_h 0 kcal
+Cu+2 + 2 Dimethylamine = CuDimethylamine2+2
+        log_k 5.66
+        delta_h 0 kcal
+Cu+2 + 3 Dimethylamine = CuDimethylamine3+2
+        log_k 7.26
+        delta_h 0 kcal
 Cu+2 + Butanoate- = CuButanoate+
-        log_k   2.14
-        delta_h 0       kcal
-Cu+2 + 2Butanoate- = CuButanoate2
-        log_k   2.6
-        delta_h 0       kcal
-Cu+2 + 3Butanoate- = CuButanoate3-
-        log_k   2.3
-        delta_h 0       kcal
-Cu+2 + 4Butanoate- = CuButanoate4-2
-        log_k   2.95
-        delta_h 0       kcal
+        log_k 2.14
+        delta_h 0 kcal
+Cu+2 + 2 Butanoate- = CuButanoate2
+        log_k 2.6
+        delta_h 0 kcal
+Cu+2 + 3 Butanoate- = CuButanoate3-
+        log_k 2.3
+        delta_h 0 kcal
+Cu+2 + 4 Butanoate- = CuButanoate4-2
+        log_k 2.95
+        delta_h 0 kcal
 Cu+2 + Isobutyrate- = CuIsobutyrate+
-        log_k   2.17
-        delta_h 0       kcal
-Cu+2 + 2Isobutyrate- = CuIsobutyrate2
-        log_k   2.7
-        delta_h 0       kcal
+        log_k 2.17
+        delta_h 0 kcal
+Cu+2 + 2 Isobutyrate- = CuIsobutyrate2
+        log_k 2.7
+        delta_h 0 kcal
 Pb+2 + Citrate-3 = PbCitrate-
-        log_k   4.34
-        delta_h 0       kcal
-Pb+2 + 2Citrate-3 = PbCitrate2-4
-        log_k   6.08
-        delta_h 0       kcal
-Pb+2 + 3Citrate-3 = PbCitrate3-7
-        log_k   6.97
-        delta_h 0       kcal
+        log_k 4.34
+        delta_h 0 kcal
+Pb+2 + 2 Citrate-3 = PbCitrate2-4
+        log_k 6.08
+        delta_h 0 kcal
+Pb+2 + 3 Citrate-3 = PbCitrate3-7
+        log_k 6.97
+        delta_h 0 kcal
 Pb+2 + Nta-3 = PbNta-
-        log_k   11.6233
-        delta_h 0       kcal
+        log_k 11.6233
+        delta_h 0 kcal
 Pb+2 + Nta-3 + H+ = PbHNta
-        log_k   3.795
-        delta_h 0       kcal
+        log_k 3.795
+        delta_h 0 kcal
 Pb+2 + Edta-4 + H+ = PbHEdta-
-        log_k   9.68
-        delta_h 0       kcal
-Pb+2 + Edta-4 + 2H+ = PbH2Edta
-        log_k   6.22
-        delta_h 0       kcal
+        log_k 9.68
+        delta_h 0 kcal
+Pb+2 + Edta-4 + 2 H+ = PbH2Edta
+        log_k 6.22
+        delta_h 0 kcal
 Pb+2 + Acetate- = PbAcetate+
-        log_k   2.87
-        delta_h 0       kcal
-Pb+2 + 2Acetate- = PbAcetate2
-        log_k   4.08
-        delta_h 0       kcal
-Pb+2 + 3Acetate- = PbAcetate3-
-        log_k   3.59
-        delta_h 0       kcal
+        log_k 2.87
+        delta_h 0 kcal
+Pb+2 + 2 Acetate- = PbAcetate2
+        log_k 4.08
+        delta_h 0 kcal
+Pb+2 + 3 Acetate- = PbAcetate3-
+        log_k 3.59
+        delta_h 0 kcal
 Pb+2 + Propanoate- = PbPropanoate+
-        log_k   2.64
-        delta_h 0       kcal
-Pb+2 + 2Propanoate- = PbPropanoate2
-        log_k   4.15
-        delta_h 0       kcal
-Pb+2 + 3Propanoate- = PbPropanoate3-
-        log_k   2.99
-        delta_h 0       kcal
-Pb+2 + 4Propanoate- = PbPropanoate4-2
-        log_k   4.18
-        delta_h 0       kcal
+        log_k 2.64
+        delta_h 0 kcal
+Pb+2 + 2 Propanoate- = PbPropanoate2
+        log_k 4.15
+        delta_h 0 kcal
+Pb+2 + 3 Propanoate- = PbPropanoate3-
+        log_k 2.99
+        delta_h 0 kcal
+Pb+2 + 4 Propanoate- = PbPropanoate4-2
+        log_k 4.18
+        delta_h 0 kcal
 Pb+2 + Butanoate- = PbButanoate+
-        log_k   2.125
-        delta_h 0       kcal
-Pb+2 + 2Butanoate- = PbButanoate2
-        log_k   3.735
-        delta_h 0       kcal
-Pb+2 + 3Butanoate- = PbButanoate3-
-        log_k   4.125
-        delta_h 0       kcal
-Pb+2 + 4Butanoate- = PbButanoate4-2
-        log_k   4.43
-        delta_h 0       kcal
+        log_k 2.125
+        delta_h 0 kcal
+Pb+2 + 2 Butanoate- = PbButanoate2
+        log_k 3.735
+        delta_h 0 kcal
+Pb+2 + 3 Butanoate- = PbButanoate3-
+        log_k 4.125
+        delta_h 0 kcal
+Pb+2 + 4 Butanoate- = PbButanoate4-2
+        log_k 4.43
+        delta_h 0 kcal
 Ni+2 + Citrate-3 = NiCitrate-
-        log_k   6.62
-        delta_h 0       kcal
+        log_k 6.62
+        delta_h 0 kcal
 Ni+2 + Citrate-3 + H+ = NiCitrateH
-        log_k   4.09
-        delta_h 0       kcal
-Ni+2 + Citrate-3 + 2H+ = NiCitrateH2+
-        log_k   2.13
-        delta_h 0       kcal
+        log_k 4.09
+        delta_h 0 kcal
+Ni+2 + Citrate-3 + 2 H+ = NiCitrateH2+
+        log_k 2.13
+        delta_h 0 kcal
 Ni+2 + Edta-4 = NiEdta-2
-        log_k   20.33
-        delta_h 0       kcal
+        log_k 20.33
+        delta_h 0 kcal
 Ni+2 + Edta-4 + H+ = NiHEdta-
-        log_k   11.56
-        delta_h 0       kcal
+        log_k 11.56
+        delta_h 0 kcal
 Ni+2 + Propanoate- = NiPropanoate+
-        log_k   0.73
-        delta_h 0       kcal
-Ni+2 + 2Propanoate- = NiPropanoate2
-        log_k   0.8
-        delta_h 0       kcal
-Ni+2 + 3Propanoate- = NiPropanoate3-
-        log_k   0.97
-        delta_h 0       kcal
+        log_k 0.73
+        delta_h 0 kcal
+Ni+2 + 2 Propanoate- = NiPropanoate2
+        log_k 0.8
+        delta_h 0 kcal
+Ni+2 + 3 Propanoate- = NiPropanoate3-
+        log_k 0.97
+        delta_h 0 kcal
 Ni+2 + Butanoate- = NiButanoate+
-        log_k   0.77
-        delta_h 0       kcal
-Ni+2 + 2Butanoate- = NiButanoate2
-        log_k   0.85
-        delta_h 0       kcal
-Ni+2 + 3Butanoate- = NiButanoate3-
-        log_k   1.34
-        delta_h 0       kcal
+        log_k 0.77
+        delta_h 0 kcal
+Ni+2 + 2 Butanoate- = NiButanoate2
+        log_k 0.85
+        delta_h 0 kcal
+Ni+2 + 3 Butanoate- = NiButanoate3-
+        log_k 1.34
+        delta_h 0 kcal
 Ni+2 + Npropylamine = NiNpropylamine+2
-        log_k   2.81
-        delta_h 0       kcal
-Ni+2 + 2Npropylamine = NiNpropylamine2+2
-        log_k   5.02
-        delta_h 0       kcal
-Ni+2 + 3Npropylamine = NiNpropylamine3+2
-        log_k   6.79
-        delta_h 0       kcal
-Ni+2 + 4Npropylamine = NiNpropylamine4+2
-        log_k   8.31
-        delta_h 0       kcal
+        log_k 2.81
+        delta_h 0 kcal
+Ni+2 + 2 Npropylamine = NiNpropylamine2+2
+        log_k 5.02
+        delta_h 0 kcal
+Ni+2 + 3 Npropylamine = NiNpropylamine3+2
+        log_k 6.79
+        delta_h 0 kcal
+Ni+2 + 4 Npropylamine = NiNpropylamine4+2
+        log_k 8.31
+        delta_h 0 kcal
 Ni+2 + Isopropylamine = NiIsopropylamine+2
-        log_k   2.71
-        delta_h 0       kcal
-Ni+2 + 2Isopropylamine = NiIsopropylamine2+2
-        log_k   4.86
-        delta_h 0       kcal
-Ni+2 + 3Isopropylamine = NiIsopropylamine3+2
-        log_k   6.57
-        delta_h 0       kcal
-Ni+2 + 4Isopropylamine = NiIsopropylamine4+2
-        log_k   7.83
-        delta_h 0       kcal
-Ni+2 + 5Isopropylamine = NiIsopropylamine5+2
-        log_k   8.43
-        delta_h 0       kcal
+        log_k 2.71
+        delta_h 0 kcal
+Ni+2 + 2 Isopropylamine = NiIsopropylamine2+2
+        log_k 4.86
+        delta_h 0 kcal
+Ni+2 + 3 Isopropylamine = NiIsopropylamine3+2
+        log_k 6.57
+        delta_h 0 kcal
+Ni+2 + 4 Isopropylamine = NiIsopropylamine4+2
+        log_k 7.83
+        delta_h 0 kcal
+Ni+2 + 5 Isopropylamine = NiIsopropylamine5+2
+        log_k 8.43
+        delta_h 0 kcal
 Ag+ + Diethylamine = AgDiethylamine+
-        log_k   3.965
-        delta_h 0       kcal
-Ag+ + 2Diethylamine = AgDiethylamine2+
-        log_k   7.02
-        delta_h 0       kcal
+        log_k 3.965
+        delta_h 0 kcal
+Ag+ + 2 Diethylamine = AgDiethylamine2+
+        log_k 7.02
+        delta_h 0 kcal
 Ag+ + Methylamine = AgMethylamine+
-        log_k   3.18
-        delta_h 0       kcal
-Ag+ + 2Methylamine = AgMethylamine2+
-        log_k   7.14
-        delta_h 0       kcal
+        log_k 3.18
+        delta_h 0 kcal
+Ag+ + 2 Methylamine = AgMethylamine2+
+        log_k 7.14
+        delta_h 0 kcal
 Ag+ + Hexylamine = AgHexylamine+
-        log_k   3.66
-        delta_h 0       kcal
-Ag+ + 2Hexylamine = AgHexylamine2+
-        log_k   7.35
-        delta_h 0       kcal
+        log_k 3.66
+        delta_h 0 kcal
+Ag+ + 2 Hexylamine = AgHexylamine2+
+        log_k 7.35
+        delta_h 0 kcal
 Ag+ + Isopropylamine = AgIsopropylamine+
-        log_k   3.19
-        delta_h 0       kcal
-Ag+ + 2Isopropylamine = AgIsopropylamine2+
-        log_k   6.85
-        delta_h 0       kcal
+        log_k 3.19
+        delta_h 0 kcal
+Ag+ + 2 Isopropylamine = AgIsopropylamine2+
+        log_k 6.85
+        delta_h 0 kcal
 Ag+ + Nbutylamine = AgNbutylamine+
-        log_k   3.55
-        delta_h 0       kcal
-Ag+ + 2Nbutylamine = AgNbutylamine2+
-        log_k   7.77
-        delta_h 0       kcal
+        log_k 3.55
+        delta_h 0 kcal
+Ag+ + 2 Nbutylamine = AgNbutylamine2+
+        log_k 7.77
+        delta_h 0 kcal
 Ag+ + Glutamate-2 = AgGlutamate-
-        log_k   3.79
-        delta_h 0       kcal
-Ag+ + 2Glutamate-2 = AgGlutamate2-3
-        log_k   6.55
-        delta_h 0       kcal
+        log_k 3.79
+        delta_h 0 kcal
+Ag+ + 2 Glutamate-2 = AgGlutamate2-3
+        log_k 6.55
+        delta_h 0 kcal
 Ag+ + Nta-3 = AgNta-2
-        log_k   5.36
-        delta_h 0       kcal
+        log_k 5.36
+        delta_h 0 kcal
 Ag+ + Edta-4 = AgEdta-3
-        log_k   7.355
-        delta_h 0       kcal
-Ag+ + 2Edta-4 = AgEdta2-7
-        log_k   11.355
-        delta_h 0       kcal
+        log_k 7.355
+        delta_h 0 kcal
+Ag+ + 2 Edta-4 = AgEdta2-7
+        log_k 11.355
+        delta_h 0 kcal
 Ag+ + Edta-4 + H+ = AgHEdta-2
-        log_k   3.36
-        delta_h 0       kcal
+        log_k 3.36
+        delta_h 0 kcal
 Ag+ + Two_methylpyridine = AgTwo_methylpyridine+
-        log_k   2.32
-        delta_h 0       kcal
-Ag+ + 2Two_methylpyridine = AgTwo_methylpyridine2+
-        log_k   4.68
-        delta_h 0       kcal
+        log_k 2.32
+        delta_h 0 kcal
+Ag+ + 2 Two_methylpyridine = AgTwo_methylpyridine2+
+        log_k 4.68
+        delta_h 0 kcal
 Ag+ + Three_methylpyridine = AgThree_methylpyridine+
-        log_k   2.2
-        delta_h 0       kcal
-Ag+ + 2Three_methylpyridine = AgThree_methylpyridine2+
-        log_k   4.46
-        delta_h 0       kcal
+        log_k 2.2
+        delta_h 0 kcal
+Ag+ + 2 Three_methylpyridine = AgThree_methylpyridine2+
+        log_k 4.46
+        delta_h 0 kcal
 Ag+ + Four_methylpyridine = AgFour_methylpyridine+
-        log_k   2.21
-        delta_h 0       kcal
-Ag+ + 2Four_methylpyridine = AgFour_methylpyridine2+
-        log_k   4.67
-        delta_h 0       kcal
+        log_k 2.21
+        delta_h 0 kcal
+Ag+ + 2 Four_methylpyridine = AgFour_methylpyridine2+
+        log_k 4.67
+        delta_h 0 kcal
 Ag+ + Npropylamine = AgNpropylamine+
-        log_k   3.47
-        delta_h 0       kcal
-Ag+ + 2Npropylamine = AgNpropylamine2+
-        log_k   7.51
-        delta_h 0       kcal
+        log_k 3.47
+        delta_h 0 kcal
+Ag+ + 2 Npropylamine = AgNpropylamine2+
+        log_k 7.51
+        delta_h 0 kcal
 Zn+2 + Glutamate-2 = ZnGlutamate
-        log_k   3.79
-        delta_h 0       kcal
-Zn+2 + 2Glutamate-2 = ZnGlutamate2-2
-        log_k   8.25
-        delta_h 0       kcal
-Zn+2 + 3Glutamate-2 = ZnGlutamate3-4
-        log_k   9.8
-        delta_h 0       kcal
+        log_k 3.79
+        delta_h 0 kcal
+Zn+2 + 2 Glutamate-2 = ZnGlutamate2-2
+        log_k 8.25
+        delta_h 0 kcal
+Zn+2 + 3 Glutamate-2 = ZnGlutamate3-4
+        log_k 9.8
+        delta_h 0 kcal
 Zn+2 + Three_methylpyridine = ZnThree_methylpyridine+2
-        log_k   1
-        delta_h 0       kcal
-Zn+2 + 2Three_methylpyridine = ZnThree_methylpyridine2+2
-        log_k   2.1
-        delta_h 0       kcal
-Zn+2 + 3Three_methylpyridine = ZnThree_methylpyridine3+2
-        log_k   2.6
-        delta_h 0       kcal
-Zn+2 + 4Three_methylpyridine = ZnThree_methylpyridine4+2
-        log_k   3.7
-        delta_h 0       kcal
+        log_k 1
+        delta_h 0 kcal
+Zn+2 + 2 Three_methylpyridine = ZnThree_methylpyridine2+2
+        log_k 2.1
+        delta_h 0 kcal
+Zn+2 + 3 Three_methylpyridine = ZnThree_methylpyridine3+2
+        log_k 2.6
+        delta_h 0 kcal
+Zn+2 + 4 Three_methylpyridine = ZnThree_methylpyridine4+2
+        log_k 3.7
+        delta_h 0 kcal
 Zn+2 + Glycine- = ZnGlycine+
-        log_k   5.38
-        delta_h 0       kcal
-Zn+2 + 2Glycine- = ZnGlycine2
-        log_k   9.81
-        delta_h 0       kcal
-Zn+2 + 3Glycine- = ZnGlycine3-
-        log_k   12.3
-        delta_h 0       kcal
+        log_k 5.38
+        delta_h 0 kcal
+Zn+2 + 2 Glycine- = ZnGlycine2
+        log_k 9.81
+        delta_h 0 kcal
+Zn+2 + 3 Glycine- = ZnGlycine3-
+        log_k 12.3
+        delta_h 0 kcal
 Zn+2 + Citrate-3 = ZnCitrate-
-        log_k   6.1
-        delta_h 0       kcal
-Zn+2 + 2Citrate-3 = ZnCitrate2-4
-        log_k   6.7
-        delta_h 0       kcal
+        log_k 6.1
+        delta_h 0 kcal
+Zn+2 + 2 Citrate-3 = ZnCitrate2-4
+        log_k 6.7
+        delta_h 0 kcal
 Zn+2 + Citrate-3 + H+ = ZnCitrateH
-        log_k   3.78
-        delta_h 0       kcal
-Zn+2 + Citrate-3 + 2H+ = ZnCitrateH2+
-        log_k   1.68
-        delta_h 0       kcal
+        log_k 3.78
+        delta_h 0 kcal
+Zn+2 + Citrate-3 + 2 H+ = ZnCitrateH2+
+        log_k 1.68
+        delta_h 0 kcal
 Zn+2 + Phthalate-2 = ZnPhthalate
-        log_k   2.91
-        delta_h 0       kcal
-Zn+2 + 2Phthalate-2 = ZnPhthalate2-2
-        log_k   4.2
-        delta_h 0       kcal
+        log_k 2.91
+        delta_h 0 kcal
+Zn+2 + 2 Phthalate-2 = ZnPhthalate2-2
+        log_k 4.2
+        delta_h 0 kcal
 Pb+2 + Glutamate-2 = PbGlutamate
-        log_k   4.7
-        delta_h 0       kcal
-Pb+2 + 2Glutamate-2 = PbGlutamate2-2
-        log_k   7.55
-        delta_h 0       kcal
+        log_k 4.7
+        delta_h 0 kcal
+Pb+2 + 2 Glutamate-2 = PbGlutamate2-2
+        log_k 7.55
+        delta_h 0 kcal
 Pb+2 + Edta-4 = PbEdta-2
-        log_k   17.88
-        delta_h 0       kcal
+        log_k 17.88
+        delta_h 0 kcal
 Pb+2 + Phthalate-2 = PbPhthalate
-        log_k   2.78
-        delta_h 0       kcal
-Pb+2 + 2Phthalate-2 = PbPhthalate2-2
-        log_k   4.01
-        delta_h 0       kcal
+        log_k 2.78
+        delta_h 0 kcal
+Pb+2 + 2 Phthalate-2 = PbPhthalate2-2
+        log_k 4.01
+        delta_h 0 kcal
 Pb+2 + Phthalate-2 + H+ = PbPhthalateH+
-        log_k   6.56
-        delta_h 0       kcal
-Pb+2 + 4Acetate- = PbAcetate4-2
-        log_k   3.4
-        delta_h 0       kcal
+        log_k 6.56
+        delta_h 0 kcal
+Pb+2 + 4 Acetate- = PbAcetate4-2
+        log_k 3.4
+        delta_h 0 kcal
 Cu+2 + Nta-3 = CuNta-
-        log_k   13.1
-        delta_h 0       kcal
-Cu+2 + 2Nta-3 = CuNta2-4
-        log_k   17.5
-        delta_h 0       kcal
+        log_k 13.1
+        delta_h 0 kcal
+Cu+2 + 2 Nta-3 = CuNta2-4
+        log_k 17.5
+        delta_h 0 kcal
 Cu+2 + Methylamine = CuMethylamine+2
-        log_k   4.11
-        delta_h 0       kcal
-Cu+2 + 3Methylamine = CuMethylamine3+2
-        log_k   10.21
-        delta_h 0       kcal
-Cu+2 + 4Methylamine = CuMethylamine4+2
-        log_k   12.08
-        delta_h 0       kcal
+        log_k 4.11
+        delta_h 0 kcal
+Cu+2 + 3 Methylamine = CuMethylamine3+2
+        log_k 10.21
+        delta_h 0 kcal
+Cu+2 + 4 Methylamine = CuMethylamine4+2
+        log_k 12.08
+        delta_h 0 kcal
 Cu+2 + Three_methylpyridine = CuThree_methylpyridine+2
-        log_k   2.74
-        delta_h 0       kcal
-Cu+2 + 2Three_methylpyridine = CuThree_methylpyridine2+2
-        log_k   4.8
-        delta_h 0       kcal
-Cu+2 + 3Three_methylpyridine = CuThree_methylpyridine3+2
-        log_k   6.3
-        delta_h 0       kcal
-Cu+2 + 4Three_methylpyridine = CuThree_methylpyridine4+2
-        log_k   7.2
-        delta_h 0       kcal
+        log_k 2.74
+        delta_h 0 kcal
+Cu+2 + 2 Three_methylpyridine = CuThree_methylpyridine2+2
+        log_k 4.8
+        delta_h 0 kcal
+Cu+2 + 3 Three_methylpyridine = CuThree_methylpyridine3+2
+        log_k 6.3
+        delta_h 0 kcal
+Cu+2 + 4 Three_methylpyridine = CuThree_methylpyridine4+2
+        log_k 7.2
+        delta_h 0 kcal
 Cu+2 + Four_methylpyridine = CuFour_methylpyridine+2
-        log_k   2.88
-        delta_h 0       kcal
-Cu+2 + 2Four_methylpyridine = CuFour_methylpyridine2+2
-        log_k   5.16
-        delta_h 0       kcal
-Cu+2 + 3Four_methylpyridine = CuFour_methylpyridine3+2
-        log_k   6.77
-        delta_h 0       kcal
-Cu+2 + 4Four_methylpyridine = CuFour_methylpyridine4+2
-        log_k   8.08
-        delta_h 0       kcal
-Cu+2 + 5Four_methylpyridine = CuFour_methylpyridine5+2
-        log_k   8.3
-        delta_h 0       kcal
+        log_k 2.88
+        delta_h 0 kcal
+Cu+2 + 2 Four_methylpyridine = CuFour_methylpyridine2+2
+        log_k 5.16
+        delta_h 0 kcal
+Cu+2 + 3 Four_methylpyridine = CuFour_methylpyridine3+2
+        log_k 6.77
+        delta_h 0 kcal
+Cu+2 + 4 Four_methylpyridine = CuFour_methylpyridine4+2
+        log_k 8.08
+        delta_h 0 kcal
+Cu+2 + 5 Four_methylpyridine = CuFour_methylpyridine5+2
+        log_k 8.3
+        delta_h 0 kcal
 # Duplicate entry
 #Cu+2 + Glutamate-2 = CuGlutamate
 #       log_k   8.33
 #       delta_h 0       kcal
 Cu+2 + Citrate-3 = CuCitrate-
-        log_k   7.26
-        delta_h 0       kcal
-Cu+2 + 2Citrate-3 = CuCitrate2-4
-        log_k   8.72
-        delta_h 0       kcal
+        log_k 7.26
+        delta_h 0 kcal
+Cu+2 + 2 Citrate-3 = CuCitrate2-4
+        log_k 8.72
+        delta_h 0 kcal
 Cu+2 + Citrate-3 + H+ = CuHCitrate
-        log_k   4.27
-        delta_h 0       kcal
-Cu+2 + Citrate-3 + 2H+ = CuH2Citrate+
-        log_k   2.2
-        delta_h 0       kcal
+        log_k 4.27
+        delta_h 0 kcal
+Cu+2 + Citrate-3 + 2 H+ = CuH2Citrate+
+        log_k 2.2
+        delta_h 0 kcal
 Cu+2 + Isovalerate- = CuIsovalerate+
-        log_k   2.08
-        delta_h 0       kcal
+        log_k 2.08
+        delta_h 0 kcal
 Cu+2 + Phthalate-2 = CuPhthalate
-        log_k   4.04
-        delta_h 0       kcal
+        log_k 4.04
+        delta_h 0 kcal
 Cu+2 + Phthalate-2 + H+ = CuPhthalateH+
-        log_k   6.74
-        delta_h 0       kcal
-        -gamma  4       0
+        log_k 6.74
+        delta_h 0 kcal
+        -gamma 4 0
 Cu+2 + Valerate- = CuValerate+
-        log_k   2.12
-        delta_h 0       kcal
-Cu+2 + 2Valerate- = CuValerate2
-        log_k   3
-        delta_h 0       kcal
+        log_k 2.12
+        delta_h 0 kcal
+Cu+2 + 2 Valerate- = CuValerate2
+        log_k 3
+        delta_h 0 kcal
 Ba+2 + Edta-4 = BaEdta-2
-        log_k   8
-        delta_h 0       kcal
+        log_k 8
+        delta_h 0 kcal
 Ba+2 + Citrate-3 = BaCitrate-
-        log_k   4.06
-        delta_h 0       kcal
+        log_k 4.06
+        delta_h 0 kcal
 Ba+2 + Citrate-3 + H+ = BaCitrateH
-        log_k   2.7
-        delta_h 0       kcal
-Ba+2 + Citrate-3 + 2H+ = BaCitrateH2+
-        log_k   1.27
-        delta_h 0       kcal
+        log_k 2.7
+        delta_h 0 kcal
+Ba+2 + Citrate-3 + 2 H+ = BaCitrateH2+
+        log_k 1.27
+        delta_h 0 kcal
 Ba+2 + Propanoate- = BaPropanoate+
-        log_k   0.34
-        delta_h 0       kcal
+        log_k 0.34
+        delta_h 0 kcal
 Ba+2 + Butanoate- = BaButanoate+
-        log_k   0.94
-        delta_h 0       kcal
+        log_k 0.94
+        delta_h 0 kcal
 Cr+2 + Edta-4 = CrEdta-2
-        log_k   13.61
-        delta_h 0       kcal
+        log_k 13.61
+        delta_h 0 kcal
 Ni+2 + Two_methylpyridine = NiTwo_methylpyridine+2
-        log_k   0.4
-        delta_h 0       kcal
+        log_k 0.4
+        delta_h 0 kcal
 Ni+2 + Three_methylpyridine = NiThree_methylpyridine+2
-        log_k   2.02
-        delta_h 0       kcal
-Ni+2 + 2Three_methylpyridine = NiThree_methylpyridine2+2
-        log_k   3.3
-        delta_h 0       kcal
-Ni+2 + 3Three_methylpyridine = NiThree_methylpyridine3+2
-        log_k   4.1
-        delta_h 0       kcal
-Ni+2 + 4Three_methylpyridine = NiThree_methylpyridine4+2
-        log_k   4.6
-        delta_h 0       kcal
+        log_k 2.02
+        delta_h 0 kcal
+Ni+2 + 2 Three_methylpyridine = NiThree_methylpyridine2+2
+        log_k 3.3
+        delta_h 0 kcal
+Ni+2 + 3 Three_methylpyridine = NiThree_methylpyridine3+2
+        log_k 4.1
+        delta_h 0 kcal
+Ni+2 + 4 Three_methylpyridine = NiThree_methylpyridine4+2
+        log_k 4.6
+        delta_h 0 kcal
 Ni+2 + Four_methylpyridine = NiFour_methylpyridine+2
-        log_k   2.11
-        delta_h 0       kcal
-Ni+2 + 2Four_methylpyridine = NiFour_methylpyridine2+2
-        log_k   3.59
-        delta_h 0       kcal
-Ni+2 + 3Four_methylpyridine = NiFour_methylpyridine3+2
-        log_k   4.34
-        delta_h 0       kcal
-Ni+2 + 4Four_methylpyridine = NiFour_methylpyridine4+2
-        log_k   4.7
-        delta_h 0       kcal
-        -gamma  0       0.04
-Ni+2 + Diethylamine = NiDiethylamine1+2
-        log_k   2.78
-        delta_h 0       kcal
-Ni+2 + 2Diethylamine = NiDiethylamine2+2
-        log_k   4.97
-        delta_h 0       kcal
-Ni+2 + 3Diethylamine = NiDiethylamine3+2
-        log_k   6.72
-        delta_h 0       kcal
-Ni+2 + 4Diethylamine = NiDiethylamine4+2
-        log_k   7.93
-        delta_h 0       kcal
-Ni+2 + 5Diethylamine = NiDiethylamine5+2
-        log_k   8.87
-        delta_h 0       kcal
-Ni+2 + 3Glycine- = NiGlycine3-
-        log_k   14.2
-        delta_h 0       kcal
+        log_k 2.11
+        delta_h 0 kcal
+Ni+2 + 2 Four_methylpyridine = NiFour_methylpyridine2+2
+        log_k 3.59
+        delta_h 0 kcal
+Ni+2 + 3 Four_methylpyridine = NiFour_methylpyridine3+2
+        log_k 4.34
+        delta_h 0 kcal
+Ni+2 + 4 Four_methylpyridine = NiFour_methylpyridine4+2
+        log_k 4.7
+        delta_h 0 kcal
+        -gamma 0 0.04
+Ni+2 + Diethylamine = NiDiethylamine+2
+        log_k 2.78
+        delta_h 0 kcal
+Ni+2 + 2 Diethylamine = NiDiethylamine2+2
+        log_k 4.97
+        delta_h 0 kcal
+Ni+2 + 3 Diethylamine = NiDiethylamine3+2
+        log_k 6.72
+        delta_h 0 kcal
+Ni+2 + 4 Diethylamine = NiDiethylamine4+2
+        log_k 7.93
+        delta_h 0 kcal
+Ni+2 + 5 Diethylamine = NiDiethylamine5+2
+        log_k 8.87
+        delta_h 0 kcal
+Ni+2 + 3 Glycine- = NiGlycine3-
+        log_k 14.2
+        delta_h 0 kcal
 Cd+2 + Three_methylpyridine = CdThree_methylpyridine+2
-        log_k   1.62
-        delta_h 0       kcal
-Cd+2 + 2Three_methylpyridine = CdThree_methylpyridine2+2
-        log_k   2.8
-        delta_h 0       kcal
-Cd+2 + 3Three_methylpyridine = CdThree_methylpyridine3+2
-        log_k   3.6
-        delta_h 0       kcal
-Cd+2 + 4Three_methylpyridine = CdThree_methylpyridine4+2
-        log_k   4
-        delta_h 0       kcal
+        log_k 1.62
+        delta_h 0 kcal
+Cd+2 + 2 Three_methylpyridine = CdThree_methylpyridine2+2
+        log_k 2.8
+        delta_h 0 kcal
+Cd+2 + 3 Three_methylpyridine = CdThree_methylpyridine3+2
+        log_k 3.6
+        delta_h 0 kcal
+Cd+2 + 4 Three_methylpyridine = CdThree_methylpyridine4+2
+        log_k 4
+        delta_h 0 kcal
 Cd+2 + Four_methylpyridine = CdFour_methylpyridine+2
-        log_k   1.51
-        delta_h 0       kcal
-Cd+2 + 2Four_methylpyridine = CdFour_methylpyridine2+2
-        log_k   2.5
-        delta_h 0       kcal
-Cd+2 + 3Four_methylpyridine = CdFour_methylpyridine3+2
-        log_k   2.9
-        delta_h 0       kcal
-Cd+2 + 4Four_methylpyridine = CdFour_methylpyridine4+2
-        log_k   4
-        delta_h 0       kcal
-Cd+2 + 3Glycine- = CdGlycine3-
-        log_k   10.7
-        delta_h 0       kcal
-Cd+2 + 2Phthalate-2 = CdPhthalate2-2
-        log_k   2.88
-        delta_h 0       kcal
+        log_k 1.51
+        delta_h 0 kcal
+Cd+2 + 2 Four_methylpyridine = CdFour_methylpyridine2+2
+        log_k 2.5
+        delta_h 0 kcal
+Cd+2 + 3 Four_methylpyridine = CdFour_methylpyridine3+2
+        log_k 2.9
+        delta_h 0 kcal
+Cd+2 + 4 Four_methylpyridine = CdFour_methylpyridine4+2
+        log_k 4
+        delta_h 0 kcal
+Cd+2 + 3 Glycine- = CdGlycine3-
+        log_k 10.7
+        delta_h 0 kcal
+Cd+2 + 2 Phthalate-2 = CdPhthalate2-2
+        log_k 2.88
+        delta_h 0 kcal
 Cd+2 + Phthalate-2 + H+ = CdPhthalateH+
-        log_k   5.88
-        delta_h 0       kcal
+        log_k 5.88
+        delta_h 0 kcal
 Cd+2 + Isovalerate- = CdIsovalerate+
-        log_k   1.34
-        delta_h 0       kcal
-Cd+2 + 2Isovalerate- = CdIsovalerate2
-        log_k   2.3
-        delta_h 0       kcal
-Cd+2 + 3Isovalerate- = CdIsovalerate3-
-        log_k   2.5
-        delta_h 0       kcal
-Cd+2 + 4Isovalerate- = CdIsovalerate4-2
-        log_k   2
-        delta_h 0       kcal
-0.5Hg2+2 + Formate- = HgFormate
-        log_k   2.94
-        delta_h 0       kcal
-0.5Hg2+2 + 2Formate- = HgFormate2-
-        log_k   5.45
-        delta_h 0       kcal
-0.5Hg2+2 + Acetate- = HgAcetate
-        log_k   7.14
-        delta_h 0       kcal
-0.5Hg2+2 + 2Acetate- = HgAcetate2-
-        log_k   13.26
-        delta_h 0       kcal
-0.5Hg2+2 + Propanoate- = HgPropanoate
-        log_k   3.72
-        delta_h 0       kcal
-0.5Hg2+2 + 2Propanoate- = HgPropanoate2-
-        log_k   6.99
-        delta_h 0       kcal
-Hg(OH)2 + Propanoate- + 2H+ = HgPropanoate+ + 2H2O
-        log_k   9.417
-        delta_h 0       kcal
-Hg(OH)2 + 2Propanoate- + 2H+ = HgPropanoate2 + 2H2O
-        log_k   13.107
-        delta_h 0       kcal
+        log_k 1.34
+        delta_h 0 kcal
+Cd+2 + 2 Isovalerate- = CdIsovalerate2
+        log_k 2.3
+        delta_h 0 kcal
+Cd+2 + 3 Isovalerate- = CdIsovalerate3-
+        log_k 2.5
+        delta_h 0 kcal
+Cd+2 + 4 Isovalerate- = CdIsovalerate4-2
+        log_k 2
+        delta_h 0 kcal
+0.5 Hg2+2 + Formate- = HgFormate
+        log_k 2.94
+        delta_h 0 kcal
+0.5 Hg2+2 + 2 Formate- = HgFormate2-
+        log_k 5.45
+        delta_h 0 kcal
+0.5 Hg2+2 + Acetate- = HgAcetate
+        log_k 7.14
+        delta_h 0 kcal
+0.5 Hg2+2 + 2 Acetate- = HgAcetate2-
+        log_k 13.26
+        delta_h 0 kcal
+0.5 Hg2+2 + Propanoate- = HgPropanoate
+        log_k 3.72
+        delta_h 0 kcal
+0.5 Hg2+2 + 2 Propanoate- = HgPropanoate2-
+        log_k 6.99
+        delta_h 0 kcal
+Hg(OH)2 + Propanoate- + 2 H+ = HgPropanoate+ + 2 H2O
+        log_k 9.417
+        delta_h 0 kcal
+Hg(OH)2 + 2 Propanoate- + 2 H+ = HgPropanoate2 + 2 H2O
+        log_k 13.107
+        delta_h 0 kcal
 Tl+ + Citrate-3 = TlCitrate-2
-        log_k   1.61
-        delta_h 0       kcal
+        log_k 1.61
+        delta_h 0 kcal
 Tl+ + Nta-3 = TlNta-2
-        log_k   4.71
-        delta_h 0       kcal
+        log_k 4.71
+        delta_h 0 kcal
 Tl+ + Edta-4 = TlEdta-3
-        log_k   6.41
-        delta_h 0       kcal
+        log_k 6.41
+        delta_h 0 kcal
 Tl+ + Acetate- = TlAcetate
-        log_k   -0.11
-        delta_h 0       kcal
+        log_k -0.11
+        delta_h 0 kcal
 Zn+2 + Edta-4 = ZnEdta-2
-        log_k   16.44
-        delta_h 0       kcal
+        log_k 16.44
+        delta_h 0 kcal
 Zn+2 + Edta-4 + H+ = ZnHEdta-
-        log_k   9
-        delta_h 0       kcal
+        log_k 9
+        delta_h 0 kcal
 Zn+2 + Acetate- = ZnAcetate+
-        log_k   1.57
-        delta_h 0       kcal
-Zn+2 + 2Acetate- = ZnAcetate2
-        log_k   1.9
-        delta_h 0       kcal
-Zn+2 + 3Acetate- = ZnAcetate3-
-        log_k   1.57
-        delta_h 0       kcal
-Zn+2 + 4Acetate- = ZnAcetate4-2
-        log_k   1.36
-        delta_h 0       kcal
+        log_k 1.57
+        delta_h 0 kcal
+Zn+2 + 2 Acetate- = ZnAcetate2
+        log_k 1.9
+        delta_h 0 kcal
+Zn+2 + 3 Acetate- = ZnAcetate3-
+        log_k 1.57
+        delta_h 0 kcal
+Zn+2 + 4 Acetate- = ZnAcetate4-2
+        log_k 1.36
+        delta_h 0 kcal
 Zn+2 + Diethylamine = ZnDiethylamine+2
-        log_k   2.51
-        delta_h 0       kcal
-Zn+2 + 2Diethylamine = ZnDiethylamine2+2
-        log_k   4.96
-        delta_h 20      kcal
-Zn+2 + 3Diethylamine = ZnDiethylamine3+2
-        log_k   7.49
-        delta_h 0       kcal
-Zn+2 + 4Diethylamine = ZnDiethylamine4+2
-        log_k   9.83
-        delta_h 0       kcal
+        log_k 2.51
+        delta_h 0 kcal
+Zn+2 + 2 Diethylamine = ZnDiethylamine2+2
+        log_k 4.96
+        delta_h 20 kcal
+Zn+2 + 3 Diethylamine = ZnDiethylamine3+2
+        log_k 7.49
+        delta_h 0 kcal
+Zn+2 + 4 Diethylamine = ZnDiethylamine4+2
+        log_k 9.83
+        delta_h 0 kcal
 Zn+2 + Propanoate- = ZnPropanoate+
-        log_k   0.72
-        delta_h 0       kcal
-Zn+2 + 2Propanoate- = ZnPropanoate2
-        log_k   1.23
-        delta_h 0       kcal
-Zn+2 + 3Propanoate- = ZnPropanoate3-
-        log_k   1.82
-        delta_h 0       kcal
-Zn+2 + 4Propanoate- = ZnPropanoate4-2
-        log_k   1.36
-        delta_h 0       kcal
+        log_k 0.72
+        delta_h 0 kcal
+Zn+2 + 2 Propanoate- = ZnPropanoate2
+        log_k 1.23
+        delta_h 0 kcal
+Zn+2 + 3 Propanoate- = ZnPropanoate3-
+        log_k 1.82
+        delta_h 0 kcal
+Zn+2 + 4 Propanoate- = ZnPropanoate4-2
+        log_k 1.36
+        delta_h 0 kcal
 Zn+2 + Butanoate- = ZnButanoate+
-        log_k   0.983
-        delta_h 0       kcal
-Zn+2 + 2Butanoate- = ZnButanoate2
-        log_k   1.65
-        delta_h 0       kcal
-Zn+2 + 3Butanoate- = ZnButanoate3-
-        log_k   1.69
-        delta_h 0       kcal
-Zn+2 + 4Butanoate- = ZnButanoate4-2
-        log_k   2.05
-        delta_h 0       kcal
+        log_k 0.983
+        delta_h 0 kcal
+Zn+2 + 2 Butanoate- = ZnButanoate2
+        log_k 1.65
+        delta_h 0 kcal
+Zn+2 + 3 Butanoate- = ZnButanoate3-
+        log_k 1.69
+        delta_h 0 kcal
+Zn+2 + 4 Butanoate- = ZnButanoate4-2
+        log_k 2.05
+        delta_h 0 kcal
 Zn+2 + Npropylamine = ZnNpropylamine+2
-        log_k   2.42
-        delta_h 0       kcal
-Zn+2 + 2Npropylamine = ZnNpropylamine2+2
-        log_k   4.85
-        delta_h 0       kcal
-Zn+2 + 3Npropylamine = ZnNpropylamine3+2
-        log_k   7.38
-        delta_h 0       kcal
-Zn+2 + 4Npropylamine = ZnNpropylamine4+2
-        log_k   9.49
-        delta_h 0       kcal
-Zn+2 + Isopropylamine = ZnIsopropylamine1+2
-        log_k   2.37
-        delta_h 0       kcal
-Zn+2 + 2Isopropylamine = ZnIsopropylamine2+2
-        log_k   4.67
-        delta_h 0       kcal
-Zn+2 + 3Isopropylamine = ZnIsopropylamine3+2
-        log_k   7.14
-        delta_h 0       kcal
-Zn+2 + 4Isopropylamine = ZnIsopropylamine4+2
-        log_k   9.44
-        delta_h 0       kcal
+        log_k 2.42
+        delta_h 0 kcal
+Zn+2 + 2 Npropylamine = ZnNpropylamine2+2
+        log_k 4.85
+        delta_h 0 kcal
+Zn+2 + 3 Npropylamine = ZnNpropylamine3+2
+        log_k 7.38
+        delta_h 0 kcal
+Zn+2 + 4 Npropylamine = ZnNpropylamine4+2
+        log_k 9.49
+        delta_h 0 kcal
+Zn+2 + Isopropylamine = ZnIsopropylamine+2
+        log_k 2.37
+        delta_h 0 kcal
+Zn+2 + 2 Isopropylamine = ZnIsopropylamine2+2
+        log_k 4.67
+        delta_h 0 kcal
+Zn+2 + 3 Isopropylamine = ZnIsopropylamine3+2
+        log_k 7.14
+        delta_h 0 kcal
+Zn+2 + 4 Isopropylamine = ZnIsopropylamine4+2
+        log_k 9.44
+        delta_h 0 kcal
 H+ + Citrate-3 = CitrateH-2
-        log_k   6.33
-        delta_h 0       kcal
-2H+ + Citrate-3 = CitrateH2-
-        log_k   11.05
-        delta_h 0       kcal
-3H+ + Citrate-3 = CitrateH3
-        log_k   14.18
-        delta_h 0       kcal
+        log_k 6.33
+        delta_h 0 kcal
+2 H+ + Citrate-3 = CitrateH2-
+        log_k 11.05
+        delta_h 0 kcal
+3 H+ + Citrate-3 = CitrateH3
+        log_k 14.18
+        delta_h 0 kcal
 Ca+2 + Citrate-3 = CaCitrate-
-        log_k   4.73
-        delta_h 0       kcal
+        log_k 4.73
+        delta_h 0 kcal
 Ca+2 + Citrate-3 + H+ = CaCitrateH
-        log_k   3.02
-        delta_h 0       kcal
-Ca+2 + Citrate-3 + 2H+ = CaCitrateH2+
-        log_k   1.29
-        delta_h 0       kcal
+        log_k 3.02
+        delta_h 0 kcal
+Ca+2 + Citrate-3 + 2 H+ = CaCitrateH2+
+        log_k 1.29
+        delta_h 0 kcal
 Mn+2 + Citrate-3 = MnCitrate-
-        log_k   5.28
-        delta_h 0       kcal
+        log_k 5.28
+        delta_h 0 kcal
 Mn+2 + Citrate-3 + H+ = MnCitrateH
-        log_k   3.02
-        delta_h 0       kcal
+        log_k 3.02
+        delta_h 0 kcal
 Fe+2 + Citrate-3 = FeCitrate-
-        log_k   5.7
-        delta_h 0       kcal
+        log_k 5.7
+        delta_h 0 kcal
 Fe+2 + Citrate-3 + H+ = FeCitrateH
-        log_k   3.5
-        delta_h 0       kcal
+        log_k 3.5
+        delta_h 0 kcal
 Fe+3 + Citrate-3 = FeCitrate
-        log_k   12.55
-        delta_h 0       kcal
+        log_k 12.55
+        delta_h 0 kcal
 Fe+3 + Citrate-3 + H+ = FeCitrateH+
-        log_k   19.8
-        delta_h 0       kcal
+        log_k 19.8
+        delta_h 0 kcal
 H+ + Ethylenediamine = HEthylenediamine+
-        log_k   9.96
-        delta_h 0       kcal
-2H+ + Ethylenediamine = H2Ethylenediamine+2
-        log_k   16.85
-        delta_h 0       kcal
+        log_k 9.96
+        delta_h 0 kcal
+2 H+ + Ethylenediamine = H2Ethylenediamine+2
+        log_k 16.85
+        delta_h 0 kcal
 Cu+2 + Ethylenediamine = CuEthylenediamine+2
-        log_k   10.49
-        delta_h 0       kcal
-Cu+2 + 2Ethylenediamine = CuEthylenediamine2+2
-        log_k   19.62
-        delta_h 0       kcal
+        log_k 10.49
+        delta_h 0 kcal
+Cu+2 + 2 Ethylenediamine = CuEthylenediamine2+2
+        log_k 19.62
+        delta_h 0 kcal
 Cd+2 + Ethylenediamine = CdEthylenediamine+2
-        log_k   5.61
-        delta_h 0       kcal
-Cd+2 + 2Ethylenediamine = CdEthylenediamine2+2
-        log_k   10.34
-        delta_h 0       kcal
-Cd+2 + 3Ethylenediamine = CdEthylenediamine3+2
-        log_k   12.26
-        delta_h 0       kcal
+        log_k 5.61
+        delta_h 0 kcal
+Cd+2 + 2 Ethylenediamine = CdEthylenediamine2+2
+        log_k 10.34
+        delta_h 0 kcal
+Cd+2 + 3 Ethylenediamine = CdEthylenediamine3+2
+        log_k 12.26
+        delta_h 0 kcal
 Ag+ + Ethylenediamine = AgEthylenediamine+
-        log_k   4.7
-        delta_h 0       kcal
-Ag+ + 2Ethylenediamine = AgEthylenediamine2+
-        log_k   7.7
-        delta_h 0       kcal
+        log_k 4.7
+        delta_h 0 kcal
+Ag+ + 2 Ethylenediamine = AgEthylenediamine2+
+        log_k 7.7
+        delta_h 0 kcal
 Ag+ + Ethylenediamine + H+ = AgEthylenediamineH+2
-        log_k   7.31
-        delta_h 0       kcal
-2Ag+ + Ethylenediamine = Ag2Ethylenediamine+2
-        log_k   1.43
-        delta_h 0       kcal
-2Ag+ + 2Ethylenediamine = Ag2Ethylenediamine2+2
-        log_k   12.73
-        delta_h 0       kcal
+        log_k 7.31
+        delta_h 0 kcal
+2 Ag+ + Ethylenediamine = Ag2Ethylenediamine+2
+        log_k 1.43
+        delta_h 0 kcal
+2 Ag+ + 2 Ethylenediamine = Ag2Ethylenediamine2+2
+        log_k 12.73
+        delta_h 0 kcal
 Ni+2 + Ethylenediamine = NiEthylenediamine+2
-        log_k   7.24
-        delta_h 0       kcal
-Ni+2 + 2Ethylenediamine = NiEthylenediamine2+2
-        log_k   13.36
-        delta_h 0       kcal
-Ni+2 + 3Ethylenediamine = NiEthylenediamine3+2
-        log_k   17.54
-        delta_h 0       kcal
+        log_k 7.24
+        delta_h 0 kcal
+Ni+2 + 2 Ethylenediamine = NiEthylenediamine2+2
+        log_k 13.36
+        delta_h 0 kcal
+Ni+2 + 3 Ethylenediamine = NiEthylenediamine3+2
+        log_k 17.54
+        delta_h 0 kcal
 Pb+2 + Ethylenediamine = PbEthylenediamine+2
-        log_k   7
-        delta_h 0       kcal
-Pb+2 + 2Ethylenediamine = PbEthylenediamine2+2
-        log_k   8.45
-        delta_h 0       kcal
+        log_k 7
+        delta_h 0 kcal
+Pb+2 + 2 Ethylenediamine = PbEthylenediamine2+2
+        log_k 8.45
+        delta_h 0 kcal
 Zn+2 + Ethylenediamine = ZnEthylenediamine+2
-        log_k   5.65
-        delta_h 0       kcal
-Zn+2 + 2Ethylenediamine = ZnEthylenediamine2+2
-        log_k   10.62
-        delta_h 0       kcal
-Zn+2 + 3Ethylenediamine = ZnEthylenediamine3+2
-        log_k   13.83
-        delta_h 0       kcal
+        log_k 5.65
+        delta_h 0 kcal
+Zn+2 + 2 Ethylenediamine = ZnEthylenediamine2+2
+        log_k 10.62
+        delta_h 0 kcal
+Zn+2 + 3 Ethylenediamine = ZnEthylenediamine3+2
+        log_k 13.83
+        delta_h 0 kcal
 Mn+2 + Ethylenediamine = MnEthylenediamine+2
-        log_k   2.67
-        delta_h 0       kcal
-Mn+2 + 2Ethylenediamine = MnEthylenediamine2+2
-        log_k   4.2
-        delta_h 0       kcal
+        log_k 2.67
+        delta_h 0 kcal
+Mn+2 + 2 Ethylenediamine = MnEthylenediamine2+2
+        log_k 4.2
+        delta_h 0 kcal
 Fe+2 + Ethylenediamine = FeEthylenediamine+2
-        log_k   4.36
-        delta_h 0       kcal
-Fe+2 + 2Ethylenediamine = FeEthylenediamine2+2
-        log_k   7.65
-        delta_h 0       kcal
-Fe+2 + 3Ethylenediamine = FeEthylenediamine3+2
-        log_k   9.68
-        delta_h 0       kcal
+        log_k 4.36
+        delta_h 0 kcal
+Fe+2 + 2 Ethylenediamine = FeEthylenediamine2+2
+        log_k 7.65
+        delta_h 0 kcal
+Fe+2 + 3 Ethylenediamine = FeEthylenediamine3+2
+        log_k 9.68
+        delta_h 0 kcal
 H+ + Nta-3 = NtaH-2
-        log_k   10.334
-        delta_h 0       kcal
-2H+ + Nta-3 = NtaH2-
-        log_k   13.27
-        delta_h 0       kcal
-3H+ + Nta-3 = NtaH3
-        log_k   14.12
-        delta_h 0       kcal
+        log_k 10.334
+        delta_h 0 kcal
+2 H+ + Nta-3 = NtaH2-
+        log_k 13.27
+        delta_h 0 kcal
+3 H+ + Nta-3 = NtaH3
+        log_k 14.12
+        delta_h 0 kcal
 H+ + Edta-4 = EdtaH-3
-        log_k   9.96
-        delta_h 0       kcal
-2H+ + Edta-4 = EdtaH2-2
-        log_k   16.21
-        delta_h 0       kcal
-3H+ + Edta-4 = EdtaH3-
-        log_k   18.86
-        delta_h 0       kcal
-4H+ + Edta-4 = EdtaH4
-        log_k   20.93
-        delta_h 0       kcal
+        log_k 9.96
+        delta_h 0 kcal
+2 H+ + Edta-4 = EdtaH2-2
+        log_k 16.21
+        delta_h 0 kcal
+3 H+ + Edta-4 = EdtaH3-
+        log_k 18.86
+        delta_h 0 kcal
+4 H+ + Edta-4 = EdtaH4
+        log_k 20.93
+        delta_h 0 kcal
 H+ + Propanoate- = PropanoateH
-        log_k   4.874
-        delta_h 0       kcal
+        log_k 4.874
+        delta_h 0 kcal
 H+ + Methylamine = MethylamineH+
-        log_k   10.72
-        delta_h 0       kcal
+        log_k 10.72
+        delta_h 0 kcal
 H+ + Hexylamine = HexylamineH+
-        log_k   10.63
-        delta_h 0       kcal
+        log_k 10.63
+        delta_h 0 kcal
 H+ + Butanoate- = ButanoateH
-        log_k   4.73
-        delta_h 0       kcal
-4H+ + Nta-3 = NtaH4+
-        log_k   16.224
-        delta_h 0       kcal
-5H+ + Edta-4 = EdtaH5+
-        log_k   23.464
-        delta_h 0       kcal
+        log_k 4.73
+        delta_h 0 kcal
+4 H+ + Nta-3 = NtaH4+
+        log_k 16.224
+        delta_h 0 kcal
+5 H+ + Edta-4 = EdtaH5+
+        log_k 23.464
+        delta_h 0 kcal
 H+ + Diethylamine = DiethylamineH+
-        log_k   10.774
-        delta_h 0       kcal
+        log_k 10.774
+        delta_h 0 kcal
 H+ + Trimethylamine = TrimethylamineH+
-        log_k   9.8
-        delta_h 0       kcal
+        log_k 9.8
+        delta_h 0 kcal
 H+ + Two_methylpyridine = Two_methylpyridineH+
-        log_k   5.95
-        delta_h 0       kcal
+        log_k 5.95
+        delta_h 0 kcal
 H+ + Three_methylpyridine = Three_methylpyridineH+
-        log_k   5.7
-        delta_h 0       kcal
+        log_k 5.7
+        delta_h 0 kcal
 H+ + Four_methylpyridine = Four_methylpyridineH+
-        log_k   6
-        delta_h 0       kcal
+        log_k 6
+        delta_h 0 kcal
 H+ + Npropylamine = NpropylamineH+
-        log_k   10.8
-        delta_h 0       kcal
-3H+ + Glutamate-2 = GlutamateH3+
-        log_k   16.6
-        delta_h 0       kcal
+        log_k 10.8
+        delta_h 0 kcal
+3 H+ + Glutamate-2 = GlutamateH3+
+        log_k 16.6
+        delta_h 0 kcal
 H+ + Formate- = FormateH
-        log_k   3.745
-        delta_h 0       kcal
+        log_k 3.745
+        delta_h 0 kcal
 H+ + Isovalerate- = IsovalerateH
-        log_k   4.781
-        delta_h 0       kcal
+        log_k 4.781
+        delta_h 0 kcal
 H+ + Isobutyrate- = IsobutyrateH
-        log_k   4.849
-        delta_h 0       kcal
+        log_k 4.849
+        delta_h 0 kcal
 H+ + Valerate- = ValerateH
-        log_k   4.843
-        delta_h 0       kcal
+        log_k 4.843
+        delta_h 0 kcal
 Cd+2 + Edta-4 = CdEdta-2
-        log_k   16.275
-        delta_h 0       kcal
+        log_k 16.275
+        delta_h 0 kcal
 Cd+2 + Nta-3 = CdNta-
-        log_k   9.4
-        delta_h 0       kcal
-Cd+2 + 2Nta-3 = CdNta2-4
-        log_k   14.3
-        delta_h 0       kcal
+        log_k 9.4
+        delta_h 0 kcal
+Cd+2 + 2 Nta-3 = CdNta2-4
+        log_k 14.3
+        delta_h 0 kcal
 Mg+2 + Ethylenediamine = MgEthylenediamine+2
-        log_k   0.37
-        delta_h 0       kcal
+        log_k 0.37
+        delta_h 0 kcal
 Ca+2 + Ethylenediamine = CaEthylenediamine+2
-        log_k   0.1
-        delta_h 0       kcal
+        log_k 0.1
+        delta_h 0 kcal
 Mg+2 + Citrate-3 = MgCitrate-
-        log_k   3.37
-        delta_h 0       kcal
+        log_k 3.37
+        delta_h 0 kcal
 Mg+2 + Citrate-3 + H+ = MgCitrateH
-        log_k   8.17
-        delta_h 0       kcal
-Mg+2 + Citrate-3 + 2H+ = MgCitrateH2+
-        log_k   11.59
-        delta_h 0       kcal
+        log_k 8.17
+        delta_h 0 kcal
+Mg+2 + Citrate-3 + 2 H+ = MgCitrateH2+
+        log_k 11.59
+        delta_h 0 kcal
 Na+ + Acetate- = NaAcetate
-        log_k   -0.18
-        delta_h 0       kcal
+        log_k -0.18
+        delta_h 0 kcal
 Na+ + Phthalate-2 = NaPhthalate-
-        log_k   0.7
-        delta_h 0       kcal
+        log_k 0.7
+        delta_h 0 kcal
 Mg+2 + Acetate- = MgAcetate+
-        log_k   1.27
-        delta_h 0       kcal
+        log_k 1.27
+        delta_h 0 kcal
 Mg+2 + Propanoate- = MgPropanoate+
-        log_k   0.54
-        delta_h 0       kcal
+        log_k 0.54
+        delta_h 0 kcal
 Mg+2 + Butanoate- = MgButanoate+
-        log_k   0.53
-        delta_h 0       kcal
+        log_k 0.53
+        delta_h 0 kcal
 Ca+2 + Acetate- = CaAcetate+
-        log_k   1.18
-        delta_h 0       kcal
+        log_k 1.18
+        delta_h 0 kcal
 Ca+2 + Isophthalate-2 = CaIsophthalate
-        log_k   2
-        delta_h 0       kcal
+        log_k 2
+        delta_h 0 kcal
 Ca+2 + Propanoate- = CaPropanoate+
-        log_k   0.5
-        delta_h 0       kcal
+        log_k 0.5
+        delta_h 0 kcal
 Ca+2 + Butanoate- = CaButanoate+
-        log_k   0.51
-        delta_h 0       kcal
+        log_k 0.51
+        delta_h 0 kcal
 Ca+2 + Phthalate-2 = CaPhthalate
-        log_k   2.42
-        delta_h 0       kcal
+        log_k 2.42
+        delta_h 0 kcal
 Mn+2 + Acetate- = MnAcetate+
-        log_k   1.4
-        delta_h 0       kcal
+        log_k 1.4
+        delta_h 0 kcal
 Fe+2 + Acetate- = FeAcetate+
-        log_k   1.4
-        delta_h 0       kcal
-Hg(OH)2 + Acetate- + 2H+ = HgAcetate+ + 2H2O
-        log_k   9.417
-        delta_h 0       kcal
-Hg(OH)2 + 2Acetate- + 2H+ = HgAcetate2 + 2H2O
-        log_k   13.11
-        delta_h 0       kcal
-Hg(OH)2 + 3Acetate- + 2H+ = HgAcetate3- + 2H2O
-        log_k   19.38
-        delta_h 0       kcal
-Hg(OH)2 + 4Acetate- + 2H+ = HgAcetate4-2 + 2H2O
-        log_k   23.16
-        delta_h 0       kcal
+        log_k 1.4
+        delta_h 0 kcal
+Hg(OH)2 + Acetate- + 2 H+ = HgAcetate+ + 2 H2O
+        log_k 9.417
+        delta_h 0 kcal
+Hg(OH)2 + 2 Acetate- + 2 H+ = HgAcetate2 + 2 H2O
+        log_k 13.11
+        delta_h 0 kcal
+Hg(OH)2 + 3 Acetate- + 2 H+ = HgAcetate3- + 2 H2O
+        log_k 19.38
+        delta_h 0 kcal
+Hg(OH)2 + 4 Acetate- + 2 H+ = HgAcetate4-2 + 2 H2O
+        log_k 23.16
+        delta_h 0 kcal
 Fe+3 + Acetate- = FeAcetate+2
-        log_k   3.21
-        delta_h 0       kcal
-Fe+3 + 2Acetate- = FeAcetate2+
-        log_k   6.5
-        delta_h 0       kcal
-Fe+3 + 3Acetate- = FeAcetate3
-        log_k   8.3
-        delta_h 0       kcal
+        log_k 3.21
+        delta_h 0 kcal
+Fe+3 + 2 Acetate- = FeAcetate2+
+        log_k 6.5
+        delta_h 0 kcal
+Fe+3 + 3 Acetate- = FeAcetate3
+        log_k 8.3
+        delta_h 0 kcal
 Ca+2 + Edta-4 = CaEdta-2
-        log_k   12.4
-        delta_h 0       kcal
+        log_k 12.4
+        delta_h 0 kcal
 Ca+2 + Edta-4 + H+ = CaHEdta-
-        log_k   16
-        delta_h 0       kcal
+        log_k 16
+        delta_h 0 kcal
 Mg+2 + Edta-4 = MgEdta-2
-        log_k   10.6
-        delta_h 0       kcal
+        log_k 10.6
+        delta_h 0 kcal
 Mg+2 + Edta-4 + H+ = MgHEdta-
-        log_k   15.1
-        delta_h 0       kcal
+        log_k 15.1
+        delta_h 0 kcal
 Fe+3 + Edta-4 = FeEdta-
-        log_k   27.7
-        delta_h 0       kcal
+        log_k 27.7
+        delta_h 0 kcal
 Fe+2 + Edta-4 = FeEdta-2
-        log_k   16.1
-        delta_h 0       kcal
+        log_k 16.1
+        delta_h 0 kcal
 Fe+3 + Edta-4 + H+ = FeHEdta
-        log_k   29.2
-        delta_h 0       kcal
+        log_k 29.2
+        delta_h 0 kcal
 Fe+2 + Edta-4 + H+ = FeHEdta-
-        log_k   19.3
-        delta_h 0       kcal
+        log_k 19.3
+        delta_h 0 kcal
 Fe+3 + Edta-4 + H2O = FeOHEdta-2 + H+
-        log_k   19.8
-        delta_h 0       kcal
-Fe+3 + Edta-4 + 2H2O = Fe(OH)2Edta-3 + 2H+
-        log_k   9.7
-        delta_h 0       kcal
+        log_k 19.8
+        delta_h 0 kcal
+Fe+3 + Edta-4 + 2 H2O = Fe(OH)2Edta-3 + 2 H+
+        log_k 9.7
+        delta_h 0 kcal
 Fe+2 + Edta-4 + H2O = FeOHEdta-3 + H+
-        log_k   6.4
-        delta_h 0       kcal
-Fe+2 + Edta-4 + 2H2O = Fe(OH)2Edta-4 + 2H+
-        log_k   -4.3
-        delta_h 0       kcal
+        log_k 6.4
+        delta_h 0 kcal
+Fe+2 + Edta-4 + 2 H2O = Fe(OH)2Edta-4 + 2 H+
+        log_k -4.3
+        delta_h 0 kcal
 Al+3 + Edta-4 = AlEdta-
-        log_k   18.9
-        delta_h 0       kcal
+        log_k 18.9
+        delta_h 0 kcal
 Al+3 + Edta-4 + H+ = AlHEdta
-        log_k   21.6
-        delta_h 0       kcal
+        log_k 21.6
+        delta_h 0 kcal
 K+ + Edta-4 = KEdta-3
-        log_k   1.7
-        delta_h 0       kcal
+        log_k 1.7
+        delta_h 0 kcal
 Na+ + Edta-4 = NaEdta-3
-        log_k   2.5
-        delta_h 0       kcal
+        log_k 2.5
+        delta_h 0 kcal
 PHASES
 Uraninite
-        UO2 + 4H+ = U+4 + 2H2O
-        log_k   -4.7
-        delta_h -18.63  kcal
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k -4.7
+        delta_h -18.63 kcal
 UO2(am)
-        UO2 + 4H+ = U+4 + 2H2O
-        log_k   0.934
-        delta_h -26.23  kcal
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k 0.934
+        delta_h -26.23 kcal
 U4O9(C)
-        U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
-        log_k   -3.384
-        delta_h -101.235        kcal
+        U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
+        log_k -3.384
+        delta_h -101.235 kcal
 U3O8(C)
-        U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
-        log_k   21.107
+        U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
+        log_k 21.107
         delta_h -116.02 kcal
 USiO4(C)
-        USiO4 + 4H+ = U+4 + H4SiO4
-        log_k   -7.62
+        USiO4 + 4 H+ = U+4 + H4SiO4
+        log_k -7.62
         delta_h -14.548 kcal
 UF4(C)
-        UF4 = U+4 + 4F-
-        log_k   -18.606
-        delta_h -18.9   kcal
+        UF4 = U+4 + 4 F-
+        log_k -18.606
+        delta_h -18.9 kcal
 UF4:2.5H2O
-        UF4:2.5H2O = U+4 + 4F- + 2.5H2O
-        log_k   -27.57
-        delta_h -0.588  kcal
+        UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
+        log_k -27.57
+        delta_h -0.588 kcal
 U(HPO4)2
 # Minteq equation:
 #       U(HPO4)2 = U+4 + 2PO4-3 + 2H+ + 4H2O
-        U(HPO4)2 = U+4 + 2PO4-3 + 2H+ 
-        log_k   -51.584
-        delta_h 3.84    kcal
+        U(HPO4)2 = U+4 + 2 PO4-3 + 2 H+
+        log_k -51.584
+        delta_h 3.84 kcal
 Ningyoite
-        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
-        log_k   -53.906
-        delta_h -2.27   kcal
+        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
+        log_k -53.906
+        delta_h -2.27 kcal
 UO3(C)
-        UO3 + 2H+ = UO2+2 + H2O
-        log_k   7.719
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 7.719
         delta_h -19.315 kcal
 Gummite
-        UO3 + 2H+ = UO2+2 + H2O
-        log_k   10.403
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 10.403
         delta_h -23.015 kcal
 B_UO2(OH)2
-        UO2(OH)2 + 2H+ = UO2+2 + 2H2O
-        log_k   5.544
-        delta_h -13.73  kcal
+        UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+        log_k 5.544
+        delta_h -13.73 kcal
 Schoepite
-        UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
-        log_k   5.404
+        UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 5.404
         delta_h -12.045 kcal
 Rutherfordine
         UO2CO3 = UO2+2 + CO3-2
-        log_k   -14.439
-        delta_h -1.44   kcal
-        -analytical 4.54      -0.03318    -2716.0
+        log_k -14.439
+        delta_h -1.44 kcal
+        -analytical 4.54 -0.03318 -2716
 (UO2)3(PO4)2
-        (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
-        log_k   -49.037
-        delta_h 94.9    kcal
+        (UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3
+        log_k -49.037
+        delta_h 94.9 kcal
 H-Autunite
-        H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3
-        log_k   -47.931
-        delta_h -3.6    kcal
+        H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.931
+        delta_h -3.6 kcal
 Na-Autunite
-        Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3
-        log_k   -47.409
-        delta_h -0.46   kcal
+        Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.409
+        delta_h -0.46 kcal
 K-Autunite
-        K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3
-        log_k   -48.244
-        delta_h 5.86    kcal
+        K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3
+        log_k -48.244
+        delta_h 5.86 kcal
 Uramphite
-        (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
-        log_k   -51.749
-        delta_h 9.7     kcal
+        (NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3
+        log_k -51.749
+        delta_h 9.7 kcal
 Saleeite
-        Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
-        log_k   -43.646
-        delta_h -20.18  kcal
+        Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3
+        log_k -43.646
+        delta_h -20.18 kcal
 Autunite
-        Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
-        log_k   -43.927
-        delta_h -14.34  kcal
+        Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3
+        log_k -43.927
+        delta_h -14.34 kcal
 Sr-Autunite
-        Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
-        log_k   -44.457
-        delta_h -13.05  kcal
+        Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3
+        log_k -44.457
+        delta_h -13.05 kcal
 Uranocircite
-        Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
-        log_k   -44.631
-        delta_h -10.1   kcal
+        Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3
+        log_k -44.631
+        delta_h -10.1 kcal
 Bassetite
-        Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
-        log_k   -44.485
-        delta_h -19.9   kcal
+        Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3
+        log_k -44.485
+        delta_h -19.9 kcal
 Torbernite
-        Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
-        log_k   -45.279
-        delta_h -15.9   kcal
+        Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3
+        log_k -45.279
+        delta_h -15.9 kcal
 Przhevalskite
-        Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
-        log_k   -44.365
-        delta_h -11     kcal
+        Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3
+        log_k -44.365
+        delta_h -11 kcal
 Uranophane
-        Ca(UO2)2(SiO3OH)2 + 6H+ = 2UO2+2 + Ca+2 + 2H4SiO4
-        log_k   17.49
-        delta_h -0      kcal
+        Ca(UO2)2(SiO3OH)2 + 6 H+ = 2 UO2+2 + Ca+2 + 2 H4SiO4
+        log_k 17.49
+        delta_h -0 kcal
 UO2(NO3)2
-        UO2(NO3)2 = UO2+2 + 2NO3-
-        log_k   12.369
-        delta_h -20.14  kcal
+        UO2(NO3)2 = UO2+2 + 2 NO3-
+        log_k 12.369
+        delta_h -20.14 kcal
 UO2(NO3)2:2H2O
-        UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
-        log_k   4.851
-        delta_h -6.06   kcal
+        UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O
+        log_k 4.851
+        delta_h -6.06 kcal
 UO2(NO3)2:3H2O
-        UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
-        log_k   3.642
-        delta_h -2.405  kcal
+        UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O
+        log_k 3.642
+        delta_h -2.405 kcal
 UO2(NO3)2:6H2O
-        UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
-        log_k   2.3
-        delta_h 4.77    kcal
+        UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+        log_k 2.3
+        delta_h 4.77 kcal
 Al(OH)3(a)
-        Al(OH)3 + 3H+ = Al+3 + 3H2O
-        log_k   10.38
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 10.38
         delta_h -27.045 kcal
 AlOHSO4
         AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
-        log_k   -3.23
-        delta_h -0      kcal
+        log_k -3.23
+        delta_h -0 kcal
 Al4(OH)10SO4
-        Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
-        log_k   22.7
-        delta_h -0      kcal
+        Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
+        log_k 22.7
+        delta_h -0 kcal
 AlumK
-        KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
-        log_k   -5.17
-        delta_h 7.22    kcal
+        KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+        log_k -5.17
+        delta_h 7.22 kcal
 Alunite
-        KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
-        log_k   -1.346
-        delta_h 3.918   kcal
+        KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+        log_k -1.346
+        delta_h 3.918 kcal
 Anhydrite
         CaSO4 = Ca+2 + SO4-2
-        log_k   -4.637
-        delta_h -3.769  kcal
+        log_k -4.637
+        delta_h -3.769 kcal
 Aragonite
         CaCO3 = Ca+2 + CO3-2
-        log_k   -8.36
-        delta_h -2.615  kcal
-# Minteq a_e has more constants than phreeqc, can not use     
+        log_k -8.36
+        delta_h -2.615 kcal
+# Minteq a_e has more constants than phreeqc, can not use
 #       -analytical_expression 10.21      -0.0217    0.0        0.0        5.170E-005
 # This a_e is from wateq4f
-        -analytical     -171.9773       -0.077993       2903.293        71.595  0.0
+        -analytical -171.9773 -0.077993 2903.293 71.595 0
 Artinite
-        MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
-        log_k   9.6
+        MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
+        log_k 9.6
         delta_h -28.742 kcal
 BaF2
-        BaF2 = Ba+2 + 2F-
-        log_k   -5.76
-        delta_h 1       kcal
+        BaF2 = Ba+2 + 2 F-
+        log_k -5.76
+        delta_h 1 kcal
 Barite
         BaSO4 = Ba+2 + SO4-2
-        log_k   -9.976
-        delta_h 6.28    kcal
+        log_k -9.976
+        delta_h 6.28 kcal
 Boehmite
-        AlOOH + 3H+ = Al+3 + 2H2O
-        log_k   8.578
-        delta_h -28.13  kcal
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 8.578
+        delta_h -28.13 kcal
 Brucite
-        Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-        log_k   16.792
-        delta_h -25.84  kcal
+        Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+        log_k 16.792
+        delta_h -25.84 kcal
 Calcite
         CaCO3 = Ca+2 + CO3-2
-        log_k   -8.475
-        delta_h -2.585  kcal
-        -analytical_expression 13.543    -0.0401     -3000.0    
+        log_k -8.475
+        delta_h -2.585 kcal
+        -analytical_expression 13.543 -0.0401 -3000
 Celestite
         SrSO4 = Sr+2 + SO4-2
-        log_k   -6.465
-        delta_h -0.47   kcal
+        log_k -6.465
+        delta_h -0.47 kcal
 Chalcedony
-        SiO2 + 2H2O = H4SiO4
-        log_k   -3.523
-        delta_h 4.615   kcal
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.523
+        delta_h 4.615 kcal
 Chrysotile
-        Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
-        log_k   32.188
+        Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+        log_k 32.188
         delta_h -52.485 kcal
 Clinoenstatite
-        MgSiO3 + H2O + 2H+ = Mg+2 + H4SiO4
-        log_k   11.338
+        MgSiO3 + H2O + 2 H+ = Mg+2 + H4SiO4
+        log_k 11.338
         delta_h -20.015 kcal
 Cristobalite
-        SiO2 + 2H2O = H4SiO4
-        log_k   -3.587
-        delta_h 5.5     kcal
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.587
+        delta_h 5.5 kcal
 Diaspore
-        AlOOH + 3H+ = Al+3 + 2H2O
-        log_k   6.873
-        delta_h -24.63  kcal
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 6.873
+        delta_h -24.63 kcal
 Diopside
-        CaMgSi2O6 + 2H2O + 4H+ = Ca+2 + Mg+2 + 2H4SiO4
-        log_k   19.886
-        delta_h -32.28  kcal
+        CaMgSi2O6 + 2 H2O + 4 H+ = Ca+2 + Mg+2 + 2 H4SiO4
+        log_k 19.886
+        delta_h -32.28 kcal
 Dolomite
-        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
-        log_k   -17
-        delta_h -8.29   kcal
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -17
+        delta_h -8.29 kcal
 Epsomite
-        MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
-        log_k   -2.14
-        delta_h 2.82    kcal
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+        log_k -2.14
+        delta_h 2.82 kcal
 Sepiolite(c)
-        Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
-        log_k   15.913
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 15.913
         delta_h -27.268 kcal
 Ferrihydrite
-        Fe(OH)3 + 3H+ = Fe+3 + 3H2O
-        log_k   4.891
-        delta_h -0      kcal
+        Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+        log_k 4.891
+        delta_h -0 kcal
 Fe3(OH)8
-        Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
-        log_k   20.222
-        delta_h -0      kcal
+        Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
+        log_k 20.222
+        delta_h -0 kcal
 Fe(OH)2.7Cl0.3
-        Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
-        log_k   -3.04
-        delta_h -0      kcal
+        Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
+        log_k -3.04
+        delta_h -0 kcal
 FeS(ppt)
         FeS + H+ = Fe+2 + HS-
-        log_k   -3.915
-        delta_h -0      kcal
+        log_k -3.915
+        delta_h -0 kcal
 Fe2(SO4)3
-        Fe2(SO4)3 = 2Fe+3 + 3SO4-2
-        log_k   3.58
-        delta_h -59.12  kcal
+        Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+        log_k 3.58
+        delta_h -59.12 kcal
 Hydroxyapatite
-        Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
-        log_k   -44.199
-        delta_h -0      kcal
+        Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O
+        log_k -44.199
+        delta_h -0 kcal
 FCO3Apatite
 #       FCO3APATITE = 9.496Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-        log_k   -114.4
-        delta_h 39.39   kcal
+        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
+        log_k -114.4
+        delta_h 39.39 kcal
 Fluorite
-        CaF2 = Ca+2 + 2F-
-        log_k   -10.96
-        delta_h 4.71    kcal
-# Minteq a_e has more constants than phreeqc, can not use     
+        CaF2 = Ca+2 + 2 F-
+        log_k -10.96
+        delta_h 4.71 kcal
+# Minteq a_e has more constants than phreeqc, can not use
 #       -analytical_expression -109.25    -0.0024    3120.98    37.624     4.900E-007 2088.47    298.4
 # This a_e is from wateq4f
-        -analytical     66.348  0.0     -4298.2         -25.271         0.0
+        -analytical 66.348 0 -4298.2 -25.271 0
 
 Forsterite
-        Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
-        log_k   28.298
-        delta_h -48.51  kcal
+        Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
+        log_k 28.298
+        delta_h -48.51 kcal
 Gibbsite(C)
-        Al(OH)3 + 3H+ = Al+3 + 3H2O
-        log_k   8.77
-        delta_h -22.8   kcal
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 8.77
+        delta_h -22.8 kcal
 Al2O3
-        Al2O3 + 6H+ = 2Al+3 + 3H2O
-        log_k   22.98
-        delta_h -0      kcal
+        Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+        log_k 22.98
+        delta_h -0 kcal
 Goethite
-        FeOOH + 3H+ = Fe+3 + 2H2O
-        log_k   0.5
-        delta_h -14.48  kcal
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k 0.5
+        delta_h -14.48 kcal
 Greenalite
-        Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
-        log_k   20.81
-        delta_h -0      kcal
+        Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
+        log_k 20.81
+        delta_h -0 kcal
 Greigite
-        Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
-        log_k   -45.035
-        delta_h -0      kcal
+        Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
+        log_k -45.035
+        delta_h -0 kcal
 Gypsum
-        CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
 #	 	 	   # Log K gives too small a solubility < 10 mmol/L
 #			   # D. Parkhurst 7/13/09, Replacing log K with minteq version 4 log K
-#        log_k   -4.848    
+#        log_k   -4.848
 #        delta_h 0.261   kcal
-	log_k	-4.61
-	delta_h	1	kJ
+	log_k -4.61
+	delta_h 1 kJ
 
 Halite
         NaCl = Na+ + Cl-
-        log_k   1.582
-        delta_h 0.918   kcal
+        log_k 1.582
+        delta_h 0.918 kcal
 Hematite
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-        log_k   -4.008
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k -4.008
         delta_h -30.845 kcal
 Huntite
-        CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
-        log_k   -29.968
-        delta_h -25.76  kcal
+        CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
+        log_k -29.968
+        delta_h -25.76 kcal
 Hydromagnesite
-        Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
-        log_k   -8.766
-        delta_h -52.21  kcal
+        Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
+        log_k -8.766
+        delta_h -52.21 kcal
 Jarosite-Na
-        NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
-        log_k   -11.2
-        delta_h -36.18  kcal
+        NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -11.2
+        delta_h -36.18 kcal
 Jarosite-K
-        KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
-        log_k   -14.8
-        delta_h -31.28  kcal
+        KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -14.8
+        delta_h -31.28 kcal
 Jarosite-H
-        (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
-        log_k   -12.1
-        delta_h -55.15  kcal
+        (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
+        log_k -12.1
+        delta_h -55.15 kcal
 Mackinawite
         FeS + H+ = Fe+2 + HS-
-        log_k   -4.648
-        delta_h -0      kcal
+        log_k -4.648
+        delta_h -0 kcal
 Magadiite
-        NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4
-        log_k   -14.3
-        delta_h -0      kcal
+        NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4
+        log_k -14.3
+        delta_h -0 kcal
 Maghemite
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-        log_k   6.386
-        delta_h -0      kcal
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k 6.386
+        delta_h -0 kcal
 Magnesite
         MgCO3 = Mg+2 + CO3-2
-        log_k   -8.029
-        delta_h -6.169  kcal
+        log_k -8.029
+        delta_h -6.169 kcal
 Magnetite
-        Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
-        log_k   3.737
-        delta_h -50.46  kcal
+        Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+        log_k 3.737
+        delta_h -50.46 kcal
 Melanterite
-        FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
-        log_k   -2.47
-        delta_h 2.86    kcal
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+        log_k -2.47
+        delta_h 2.86 kcal
 Mirabilite
-        Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
-        log_k   -1.114
-        delta_h 18.987  kcal
+        Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+        log_k -1.114
+        delta_h 18.987 kcal
 Natron
-        Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
-        log_k   -1.311
-        delta_h 15.745  kcal
+        Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
+        log_k -1.311
+        delta_h 15.745 kcal
 Nesquehonite
-        MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
-        log_k   -5.621
-        delta_h -5.789  kcal
+        MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
+        log_k -5.621
+        delta_h -5.789 kcal
 Phlogopite
-        KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4
-        log_k   66.3
-        delta_h -86.36  kcal
+        KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4
+        log_k 66.3
+        delta_h -86.36 kcal
 Pyrite
-        FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
-        log_k   -18.479
-        delta_h 11.3    kcal
+        FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+        log_k -18.479
+        delta_h 11.3 kcal
 Quartz
-        SiO2 + 2H2O = H4SiO4
-        log_k   -4.006
-        delta_h 6.22    kcal
+        SiO2 + 2 H2O = H4SiO4
+        log_k -4.006
+        delta_h 6.22 kcal
 Sepiolite(a)
-        Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
-        log_k   18.78
-        delta_h -0      kcal
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 18.78
+        delta_h -0 kcal
 Siderite
         FeCO3 = Fe+2 + CO3-2
-        log_k   -10.55
-        delta_h -5.328  kcal
+        log_k -10.55
+        delta_h -5.328 kcal
 SiO2(a)
-        SiO2 + 2H2O = H4SiO4
-        log_k   -3.018
-        delta_h 4.44    kcal
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.018
+        delta_h 4.44 kcal
 SiO2(am)
-        SiO2 + 2H2O = H4SiO4
-        log_k   -2.71
-        delta_h 3.91    kcal
+        SiO2 + 2 H2O = H4SiO4
+        log_k -2.71
+        delta_h 3.91 kcal
 SrF2
-        SrF2 = Sr+2 + 2F-
-        log_k   -8.54
-        delta_h 1.25    kcal
+        SrF2 = Sr+2 + 2 F-
+        log_k -8.54
+        delta_h 1.25 kcal
 Strengite
-        FePO4:2H2O = Fe+3 + PO4-3 + 2H2O 
-        log_k   -26.4
-        delta_h -2.03   kcal
+        FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
+        log_k -26.4
+        delta_h -2.03 kcal
 
 Strontianite
         SrCO3 = Sr+2 + CO3-2
-        log_k   -9.25
-        delta_h -0.69   kcal
+        log_k -9.25
+        delta_h -0.69 kcal
 Talc
-        Mg3Si4O10(OH)2 + 4H2O + 6H+ = 3Mg+2 + 4H4SiO4
-        log_k   23.055
+        Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+        log_k 23.055
         delta_h -35.005 kcal
 Thenardite
-        Na2SO4 = 2Na+ + SO4-2
-        log_k   -0.179
-        delta_h -0.572  kcal
+        Na2SO4 = 2 Na+ + SO4-2
+        log_k -0.179
+        delta_h -0.572 kcal
 Thermonatrite
-        Na2CO3:H2O = 2Na+ + CO3-2 + H2O
-        log_k   0.125
-        delta_h -2.802  kcal
+        Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
+        log_k 0.125
+        delta_h -2.802 kcal
 Tremolite
-        Ca2Mg5Si8O22(OH)2 + 8H2O + 14H+ = 2Ca+2 + 5Mg+2 + 8H4SiO4
-        log_k   56.546
+        Ca2Mg5Si8O22(OH)2 + 8 H2O + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
+        log_k 56.546
         delta_h -96.615 kcal
 Vivianite
-        Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
-        log_k   -36
-        delta_h -0      kcal
+        Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+        log_k -36
+        delta_h -0 kcal
 Witherite
         BaCO3 = Ba+2 + CO3-2
-        log_k   -8.585
-        delta_h 0.36    kcal
+        log_k -8.585
+        delta_h 0.36 kcal
 Pyrolusite
-        MnO2 + 4H+ + e- = Mn+3 + 2H2O
-        log_k   15.861
-        delta_h -29.18  kcal
+        MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
+        log_k 15.861
+        delta_h -29.18 kcal
 Birnessite
-        MnO2 + 4H+ + e- = Mn+3 + 2H2O
-        log_k   18.091
-        delta_h -0      kcal
+        MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
+        log_k 18.091
+        delta_h -0 kcal
 Nsutite
-        MnO2 + 4H+ + e- = Mn+3 + 2H2O
-        log_k   17.504
-        delta_h -0      kcal
+        MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
+        log_k 17.504
+        delta_h -0 kcal
 Bixbyite
-        Mn2O3 + 6H+ = 2Mn+3 + 3H2O
-        log_k   -0.611
+        Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+        log_k -0.611
         delta_h -15.245 kcal
 Hausmannite
-        Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
-        log_k   61.54
-        delta_h -80.14  kcal
+        Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+        log_k 61.54
+        delta_h -80.14 kcal
 Pyrocroite
-        Mn(OH)2 + 2H+ = Mn+2 + 2H2O
-        log_k   15.088
-        delta_h -22.59  kcal
+        Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+        log_k 15.088
+        delta_h -22.59 kcal
 Manganite
-        MnOOH + 3H+ = Mn+3 + 2H2O
-        log_k   -0.238
-        delta_h -0      kcal
+        MnOOH + 3 H+ = Mn+3 + 2 H2O
+        log_k -0.238
+        delta_h -0 kcal
 Rhodochrosite
         MnCO3 = Mn+2 + CO3-2
-        log_k   -10.41
-        delta_h -2.079  kcal
+        log_k -10.41
+        delta_h -2.079 kcal
 MnCl2:4H2O
-        MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
-        log_k   2.71
-        delta_h 17.38   kcal
+        MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+        log_k 2.71
+        delta_h 17.38 kcal
 MnS(Green)
         MnS + H+ = Mn+2 + HS-
-        log_k   3.8
-        delta_h -5.79   kcal
+        log_k 3.8
+        delta_h -5.79 kcal
 MnSO4
         MnSO4 = Mn+2 + SO4-2
-        log_k   2.669
-        delta_h -15.48  kcal
+        log_k 2.669
+        delta_h -15.48 kcal
 Mn2(SO4)3
-        Mn2(SO4)3 = 2Mn+3 + 3SO4-2
-        log_k   -5.711
-        delta_h -39.06  kcal
+        Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
+        log_k -5.711
+        delta_h -39.06 kcal
 Mn3(PO4)2
-        Mn3(PO4)2 = 3Mn+2 + 2PO4-3
-        log_k   -23.827
-        delta_h 2.12    kcal
+        Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
+        log_k -23.827
+        delta_h 2.12 kcal
 CuMetal
         Cu = Cu+ + e-
-        log_k   -8.76
-        delta_h 17.13   kcal
+        log_k -8.76
+        delta_h 17.13 kcal
 Nantokite
         CuCl = Cu+ + Cl-
-        log_k   -6.76
-        delta_h 9.98    kcal
+        log_k -6.76
+        delta_h 9.98 kcal
 CuF
         CuF = Cu+ + F-
-        log_k   7.08
-        delta_h -12.37  kcal
+        log_k 7.08
+        delta_h -12.37 kcal
 Cuprite
-        Cu2O + 2H+ = 2Cu+ + H2O
-        log_k   -1.55
-        delta_h 6.245   kcal
+        Cu2O + 2 H+ = 2 Cu+ + H2O
+        log_k -1.55
+        delta_h 6.245 kcal
 Chalcocite
-        Cu2S + H+ = 2Cu+ + HS-
-        log_k   -34.619
-        delta_h 49.35   kcal
+        Cu2S + H+ = 2 Cu+ + HS-
+        log_k -34.619
+        delta_h 49.35 kcal
 Djurleite
-        Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
-        log_k   -33.92
-        delta_h 47.881  kcal
+        Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
+        log_k -33.92
+        delta_h 47.881 kcal
 Anilite
-        Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
-        log_k   -31.878
-        delta_h 43.535  kcal
+        Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
+        log_k -31.878
+        delta_h 43.535 kcal
 BlaubleiII
-        Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
-        log_k   -27.279
-        delta_h -0      kcal
+        Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
+        log_k -27.279
+        delta_h -0 kcal
 BlaubleiI
-        Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
-        log_k   -24.162
-        delta_h -0      kcal
+        Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
+        log_k -24.162
+        delta_h -0 kcal
 Covellite
         CuS + H+ = Cu+2 + HS-
-        log_k   -23.038
-        delta_h 24.01   kcal
+        log_k -23.038
+        delta_h 24.01 kcal
 Cu2SO4
-        Cu2SO4 = 2Cu+ + SO4-2
-        log_k   -1.95
-        delta_h -4.56   kcal
+        Cu2SO4 = 2 Cu+ + SO4-2
+        log_k -1.95
+        delta_h -4.56 kcal
 CuprousFerrite
-        CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
-        log_k   -8.92
-        delta_h -3.8    kcal
+        CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+        log_k -8.92
+        delta_h -3.8 kcal
 Melanothallite
-        CuCl2 = Cu+2 + 2Cl-
-        log_k   3.73
-        delta_h -12.32  kcal
+        CuCl2 = Cu+2 + 2 Cl-
+        log_k 3.73
+        delta_h -12.32 kcal
 CuCO3
         CuCO3 = Cu+2 + CO3-2
-        log_k   -9.63
-        delta_h -0      kcal
+        log_k -9.63
+        delta_h -0 kcal
 CuF2
-        CuF2 = Cu+2 + 2F-
-        log_k   -0.62
-        delta_h -13.32  kcal
+        CuF2 = Cu+2 + 2 F-
+        log_k -0.62
+        delta_h -13.32 kcal
 CuF2:2H2O
-        CuF2:2H2O = Cu+2 + 2F- + 2H2O
-        log_k   -4.55
-        delta_h -3.65   kcal
+        CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+        log_k -4.55
+        delta_h -3.65 kcal
 Cu(OH)2
-        Cu(OH)2 + 2H+ = Cu+2 + 2H2O
-        log_k   8.64
-        delta_h -15.25  kcal
+        Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
+        log_k 8.64
+        delta_h -15.25 kcal
 Atacamite
-        Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
-        log_k   7.34
-        delta_h -18.69  kcal
+        Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
+        log_k 7.34
+        delta_h -18.69 kcal
 Cu2(OH)3NO3
-        Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
-        log_k   9.24
-        delta_h -17.35  kcal
+        Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
+        log_k 9.24
+        delta_h -17.35 kcal
 Antlerite
-        Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
-        log_k   8.29
-        delta_h -0      kcal
+        Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
+        log_k 8.29
+        delta_h -0 kcal
 Brochantite
-        Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
-        log_k   15.34
-        delta_h -0      kcal
+        Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
+        log_k 15.34
+        delta_h -0 kcal
 Langite
-        Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
-        log_k   16.79
-        delta_h -39.61  kcal
+        Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
+        log_k 16.79
+        delta_h -39.61 kcal
 Tenorite
-        CuO + 2H+ = Cu+2 + H2O
-        log_k   7.62
-        delta_h -15.24  kcal
+        CuO + 2 H+ = Cu+2 + H2O
+        log_k 7.62
+        delta_h -15.24 kcal
 CuOCuSO4
-        CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
-        log_k   11.53
+        CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
+        log_k 11.53
         delta_h -35.575 kcal
 Cu3(PO4)2
-        Cu3(PO4)2 = 3Cu+2 + 2PO4-3
-        log_k   -36.85
-        delta_h -0      kcal
+        Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
+        log_k -36.85
+        delta_h -0 kcal
 Cu3(PO4)2:3H2O
-        Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
-        log_k   -35.12
-        delta_h -0      kcal
+        Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
+        log_k -35.12
+        delta_h -0 kcal
 CuSO4
         CuSO4 = Cu+2 + SO4-2
-        log_k   3.01
-        delta_h -18.14  kcal
+        log_k 3.01
+        delta_h -18.14 kcal
 Chalcanthite
-        CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
-        log_k   -2.64
-        delta_h 1.44    kcal
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+        log_k -2.64
+        delta_h 1.44 kcal
 Dioptase
-        CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4
-        log_k   6.5
-        delta_h -8.96   kcal
+        CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4
+        log_k 6.5
+        delta_h -8.96 kcal
 CupricFerrite
-        CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
-        log_k   5.88
-        delta_h -38.69  kcal
+        CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+        log_k 5.88
+        delta_h -38.69 kcal
 Chalcopyrite
-        CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
-        log_k   -35.27
-        delta_h 35.48   kcal
+        CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+        log_k -35.27
+        delta_h 35.48 kcal
 CuBr
         CuBr = Cu+ + Br-
-        log_k   -8.21
-        delta_h 13.08   kcal
+        log_k -8.21
+        delta_h 13.08 kcal
 CuI
         CuI = Cu+ + I-
-        log_k   -11.89
-        delta_h 20.14   kcal
+        log_k -11.89
+        delta_h 20.14 kcal
 ZnMetal
-        Zn = Zn+2 + 2e-
-        log_k   25.757
-        delta_h -36.78  kcal
+        Zn = Zn+2 + 2 e-
+        log_k 25.757
+        delta_h -36.78 kcal
 ZnCl2
-        ZnCl2 = Zn+2 + 2Cl-
-        log_k   7.03
-        delta_h -17.48  kcal
+        ZnCl2 = Zn+2 + 2 Cl-
+        log_k 7.03
+        delta_h -17.48 kcal
 Smithsonite
         ZnCO3 = Zn+2 + CO3-2
-        log_k   -10
-        delta_h -4.36   kcal
+        log_k -10
+        delta_h -4.36 kcal
 ZnCO3:H2O
         ZnCO3:H2O = Zn+2 + CO3-2 + H2O
-        log_k   -10.26
-        delta_h -0      kcal
+        log_k -10.26
+        delta_h -0 kcal
 ZnF2
-        ZnF2 = Zn+2 + 2F-
-        log_k   -1.52
-        delta_h -13.08  kcal
+        ZnF2 = Zn+2 + 2 F-
+        log_k -1.52
+        delta_h -13.08 kcal
 Zn(OH)2(A)
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-        log_k   12.45
-        delta_h -0      kcal
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.45
+        delta_h -0 kcal
 Zn(OH)2(C)
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-        log_k   12.2
-        delta_h -0      kcal
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.2
+        delta_h -0 kcal
 Zn(OH)2(B)
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-        log_k   11.75
-        delta_h -0      kcal
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.75
+        delta_h -0 kcal
 Zn(OH)2(G)
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-        log_k   11.71
-        delta_h -0      kcal
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.71
+        delta_h -0 kcal
 Zn(OH)2(E)
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-        log_k   11.5
-        delta_h -0      kcal
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.5
+        delta_h -0 kcal
 Zn2(OH)3Cl
-        Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
-        log_k   15.2
-        delta_h -0      kcal
+        Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
+        log_k 15.2
+        delta_h -0 kcal
 Zn5(OH)8Cl2
-        Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
-        log_k   38.5
-        delta_h -0      kcal
+        Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
+        log_k 38.5
+        delta_h -0 kcal
 Zn2(OH)2SO4
-        Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
-        log_k   7.5
-        delta_h -0      kcal
+        Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
+        log_k 7.5
+        delta_h -0 kcal
 Zn4(OH)6SO4
-        Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
-        log_k   28.4
-        delta_h -0      kcal
+        Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
+        log_k 28.4
+        delta_h -0 kcal
 Zn(NO3)2:6H2O
-        Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
-        log_k   3.44
-        delta_h 5.51    kcal
+        Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+        log_k 3.44
+        delta_h 5.51 kcal
 ZnO(Active)
-        ZnO + 2H+ = Zn+2 + H2O
-        log_k   11.31
-        delta_h -0      kcal
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.31
+        delta_h -0 kcal
 Zincite
-        ZnO + 2H+ = Zn+2 + H2O
-        log_k   11.14
-        delta_h -21.86  kcal
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.14
+        delta_h -21.86 kcal
 Zn3O(SO4)2
-        Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
-        log_k   19.02
-        delta_h -62     kcal
+        Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
+        log_k 19.02
+        delta_h -62 kcal
 Zn3(PO4)2:4H2O
-        Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
-        log_k   -32.04
-        delta_h -0      kcal
+        Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
+        log_k -32.04
+        delta_h -0 kcal
 ZnS(A)
         ZnS + H+ = Zn+2 + HS-
-        log_k   -9.052
-        delta_h 3.67    kcal
+        log_k -9.052
+        delta_h 3.67 kcal
 Sphalerite
         ZnS + H+ = Zn+2 + HS-
-        log_k   -11.618
-        delta_h 8.25    kcal
+        log_k -11.618
+        delta_h 8.25 kcal
 Wurtzite
         ZnS + H+ = Zn+2 + HS-
-        log_k   -9.682
-        delta_h 5.06    kcal
+        log_k -9.682
+        delta_h 5.06 kcal
 ZnSiO3
-        ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4
-        log_k   2.93
-        delta_h -18.27  kcal
+        ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4
+        log_k 2.93
+        delta_h -18.27 kcal
 Willemite
-        Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
-        log_k   15.33
-        delta_h -33.37  kcal
+        Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+        log_k 15.33
+        delta_h -33.37 kcal
 Zincosite
         ZnSO4 = Zn+2 + SO4-2
-        log_k   3.01
-        delta_h -19.2   kcal
+        log_k 3.01
+        delta_h -19.2 kcal
 ZnSO4:H2O
         ZnSO4:H2O = Zn+2 + SO4-2 + H2O
-        log_k   -0.57
-        delta_h -10.64  kcal
+        log_k -0.57
+        delta_h -10.64 kcal
 Bianchite
-        ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
-        log_k   -1.765
-        delta_h -0.16   kcal
+        ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
+        log_k -1.765
+        delta_h -0.16 kcal
 Goslarite
-        ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
-        log_k   -1.96
-        delta_h 3.3     kcal
+        ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
+        log_k -1.96
+        delta_h 3.3 kcal
 ZnBr2:2H2O
-        ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
-        log_k   5.21
-        delta_h -7.51   kcal
+        ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+        log_k 5.21
+        delta_h -7.51 kcal
 ZnI2
-        ZnI2 = Zn+2 + 2I-
-        log_k   7.23
-        delta_h -13.44  kcal
+        ZnI2 = Zn+2 + 2 I-
+        log_k 7.23
+        delta_h -13.44 kcal
 CdMetal
-        Cd = Cd+2 + 2e-
-        log_k   13.49
-        delta_h -18     kcal
+        Cd = Cd+2 + 2 e-
+        log_k 13.49
+        delta_h -18 kcal
 Cd(Gamma)
-        Cd = Cd+2 + 2e-
-        log_k   13.59
-        delta_h -18.14  kcal
+        Cd = Cd+2 + 2 e-
+        log_k 13.59
+        delta_h -18.14 kcal
 Otavite
         CdCO3 = Cd+2 + CO3-2
-        log_k   -13.74
-        delta_h -0.58   kcal
+        log_k -13.74
+        delta_h -0.58 kcal
 CdCl2
-        CdCl2 = Cd+2 + 2Cl-
-        log_k   -0.68
-        delta_h -4.47   kcal
+        CdCl2 = Cd+2 + 2 Cl-
+        log_k -0.68
+        delta_h -4.47 kcal
 CdCl2:H2O
-        CdCl2:H2O = Cd+2 + 2Cl- + H2O
-        log_k   -1.71
-        delta_h -1.82   kcal
+        CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+        log_k -1.71
+        delta_h -1.82 kcal
 CdCl2:2.5H2O
-        CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
-        log_k   -1.94
-        delta_h 1.71    kcal
+        CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+        log_k -1.94
+        delta_h 1.71 kcal
 CdF2
-        CdF2 = Cd+2 + 2F-
-        log_k   -2.98
-        delta_h -9.72   kcal
+        CdF2 = Cd+2 + 2 F-
+        log_k -2.98
+        delta_h -9.72 kcal
 Cd(OH)2(A)
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-        log_k   13.73
-        delta_h -20.77  kcal
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.73
+        delta_h -20.77 kcal
 Cd(OH)2(C)
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-        log_k   13.65
-        delta_h -0      kcal
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.65
+        delta_h -0 kcal
 CdOHCl
         CdOHCl + H+ = Cd+2 + H2O + Cl-
-        log_k   3.52
-        delta_h -7.407  kcal
+        log_k 3.52
+        delta_h -7.407 kcal
 Cd3(OH)4SO4
-        Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
-        log_k   22.56
-        delta_h -0      kcal
+        Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
+        log_k 22.56
+        delta_h -0 kcal
 Cd3(OH)2(SO4)2
-        Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
-        log_k   6.71
-        delta_h -0      kcal
+        Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
+        log_k 6.71
+        delta_h -0 kcal
 Cd4(OH)6SO4
-        Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
-        log_k   28.4
-        delta_h -0      kcal
+        Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
+        log_k 28.4
+        delta_h -0 kcal
 Monteponite
-        CdO + 2H+ = Cd+2 + H2O
-        log_k   15.12
-        delta_h -24.76  kcal
+        CdO + 2 H+ = Cd+2 + H2O
+        log_k 15.12
+        delta_h -24.76 kcal
 Cd3(PO4)2
-        Cd3(PO4)2 = 3Cd+2 + 2PO4-3
-        log_k   -32.6
-        delta_h -0      kcal
+        Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
+        log_k -32.6
+        delta_h -0 kcal
 CdSiO3
-        CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
-        log_k   9.06
-        delta_h -16.63  kcal
+        CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+        log_k 9.06
+        delta_h -16.63 kcal
 CdSO4
         CdSO4 = Cd+2 + SO4-2
-        log_k   -0.1
-        delta_h -14.74  kcal
+        log_k -0.1
+        delta_h -14.74 kcal
 CdSO4:H2O
         CdSO4:H2O = Cd+2 + SO4-2 + H2O
-        log_k   -1.657
-        delta_h -7.52   kcal
+        log_k -1.657
+        delta_h -7.52 kcal
 CdSO4:2.67H2O
-        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
-        log_k   -1.873
-        delta_h -4.3    kcal
+        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+        log_k -1.873
+        delta_h -4.3 kcal
 Greenockite
         CdS + H+ = Cd+2 + HS-
-        log_k   -15.93
-        delta_h 16.36   kcal
+        log_k -15.93
+        delta_h 16.36 kcal
 CdBr2:4H2O
-        CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
-        log_k   -2.42
-        delta_h 7.23    kcal
+        CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+        log_k -2.42
+        delta_h 7.23 kcal
 CdI2
-        CdI2 = Cd+2 + 2I-
-        log_k   -3.61
-        delta_h 4.08    kcal
+        CdI2 = Cd+2 + 2 I-
+        log_k -3.61
+        delta_h 4.08 kcal
 PbMetal
-        Pb = Pb+2 + 2e-
-        log_k   4.27
-        delta_h 0.4     kcal
+        Pb = Pb+2 + 2 e-
+        log_k 4.27
+        delta_h 0.4 kcal
 Cotunnite
-        PbCl2 = Pb+2 + 2Cl-
-        log_k   -4.77
-        delta_h 5.6     kcal
+        PbCl2 = Pb+2 + 2 Cl-
+        log_k -4.77
+        delta_h 5.6 kcal
 Matlockite
         PbClF = Pb+2 + Cl- + F-
-        log_k   -9.43
-        delta_h 7.95    kcal
+        log_k -9.43
+        delta_h 7.95 kcal
 Phosgenite
-        PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
-        log_k   -19.81
-        delta_h -0      kcal
+        PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
+        log_k -19.81
+        delta_h -0 kcal
 Cerussite
         PbCO3 = Pb+2 + CO3-2
-        log_k   -13.13
-        delta_h 4.86    kcal
+        log_k -13.13
+        delta_h 4.86 kcal
 PbF2
-        PbF2 = Pb+2 + 2F-
-        log_k   -7.44
-        delta_h -0.7    kcal
+        PbF2 = Pb+2 + 2 F-
+        log_k -7.44
+        delta_h -0.7 kcal
 Massicot
-        PbO + 2H+ = Pb+2 + H2O
-        log_k   12.91
-        delta_h -16.78  kcal
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.91
+        delta_h -16.78 kcal
 Litharge
-        PbO + 2H+ = Pb+2 + H2O
-        log_k   12.72
-        delta_h -16.38  kcal
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.72
+        delta_h -16.38 kcal
 PbO:0.3H2O
-        PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
-        log_k   12.98
-        delta_h -0      kcal
+        PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
+        log_k 12.98
+        delta_h -0 kcal
 Pb2OCO3
-        Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
-        log_k   -0.5
-        delta_h -11.46  kcal
+        Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2
+        log_k -0.5
+        delta_h -11.46 kcal
 Larnakite
-        PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
-        log_k   -0.28
-        delta_h -6.44   kcal
+        PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
+        log_k -0.28
+        delta_h -6.44 kcal
 Pb3O2SO4
-        Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
-        log_k   10.4
-        delta_h -20.75  kcal
+        Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
+        log_k 10.4
+        delta_h -20.75 kcal
 Pb4O3SO4
-        Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
-        log_k   22.1
-        delta_h -35.07  kcal
+        Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
+        log_k 22.1
+        delta_h -35.07 kcal
 ClPyromorphite
-        Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
-        log_k   -84.43
-        delta_h -0      kcal
+        Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
+        log_k -84.43
+        delta_h -0 kcal
 Hxypyromorphite
-        Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
-        log_k   -62.79
-        delta_h -0      kcal
+        Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
+        log_k -62.79
+        delta_h -0 kcal
 Pb3O2CO3
-        Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
-        log_k   11.02
-        delta_h -26.43  kcal
+        Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
+        log_k 11.02
+        delta_h -26.43 kcal
 Plumbogummite
-        PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
-        log_k   -32.79
-        delta_h -0      kcal
+        PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
+        log_k -32.79
+        delta_h -0 kcal
 Hinsdalite
-        PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
-        log_k   -2.5
-        delta_h -0      kcal
+        PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
+        log_k -2.5
+        delta_h -0 kcal
 Tsumebite
-        Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
-        log_k   -9.79
-        delta_h -0      kcal
+        Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
+        log_k -9.79
+        delta_h -0 kcal
 PbSiO3
-        PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4
-        log_k   7.32
-        delta_h -9.26   kcal
+        PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4
+        log_k 7.32
+        delta_h -9.26 kcal
 Pb2SiO4
-        Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4
-        log_k   19.76
-        delta_h -26     kcal
+        Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4
+        log_k 19.76
+        delta_h -26 kcal
 Anglesite
         PbSO4 = Pb+2 + SO4-2
-        log_k   -7.79
-        delta_h 2.15    kcal
+        log_k -7.79
+        delta_h 2.15 kcal
 Galena
         PbS + H+ = Pb+2 + HS-
-        log_k   -15.132
-        delta_h 19.4    kcal
+        log_k -15.132
+        delta_h 19.4 kcal
 Plattnerite
-        PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
-        log_k   49.3
-        delta_h -70.73  kcal
+        PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
+        log_k 49.3
+        delta_h -70.73 kcal
 Pb2O3
-        Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
-        log_k   61.04
-        delta_h -0      kcal
+        Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
+        log_k 61.04
+        delta_h -0 kcal
 Minium
-        Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
-        log_k   73.69
+        Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
+        log_k 73.69
         delta_h -102.76 kcal
 Pb(OH)2(C)
-        Pb(OH)2 + 2H+ = Pb+2 + 2H2O
-        log_k   8.15
-        delta_h -13.99  kcal
+        Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+        log_k 8.15
+        delta_h -13.99 kcal
 Laurionite
         PbOHCl + H+ = Pb+2 + Cl- + H2O
-        log_k   0.623
-        delta_h -0      kcal
+        log_k 0.623
+        delta_h -0 kcal
 Pb2(OH)3Cl
-        Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
-        log_k   8.793
-        delta_h -0      kcal
+        Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
+        log_k 8.793
+        delta_h -0 kcal
 Hydcerussite
-        Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
-        log_k   -17.46
-        delta_h -0      kcal
+        Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O
+        log_k -17.46
+        delta_h -0 kcal
 Pb2O(OH)2
-        Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
-        log_k   26.2
-        delta_h -0      kcal
+        Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
+        log_k 26.2
+        delta_h -0 kcal
 PbBr2
-        PbBr2 = Pb+2 + 2Br-
-        log_k   -5.18
-        delta_h 8.1     kcal
+        PbBr2 = Pb+2 + 2 Br-
+        log_k -5.18
+        delta_h 8.1 kcal
 PbBrF
         PbBrF = Pb+2 + Br- + F-
-        log_k   -8.49
-        delta_h -0      kcal
+        log_k -8.49
+        delta_h -0 kcal
 PbI2
-        PbI2 = Pb+2 + 2I-
-        log_k   -8.07
-        delta_h 15.16   kcal
+        PbI2 = Pb+2 + 2 I-
+        log_k -8.07
+        delta_h 15.16 kcal
 Pb4(OH)6SO4
-        Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
-        log_k   21.1
-        delta_h -0      kcal
+        Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
+        log_k 21.1
+        delta_h -0 kcal
 NiCO3
         NiCO3 = Ni+2 + CO3-2
-        log_k   -6.84
-        delta_h -9.94   kcal
+        log_k -6.84
+        delta_h -9.94 kcal
 Ni(OH)2
-        Ni(OH)2 + 2H+ = Ni+2 + 2H2O
-        log_k   10.8
-        delta_h 30.45   kcal
+        Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+        log_k 10.8
+        delta_h 30.45 kcal
 Ni4(OH)6SO4
-        Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
-        log_k   32
-        delta_h -0      kcal
+        Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
+        log_k 32
+        delta_h -0 kcal
 Bunsenite
-        NiO + 2H+ = Ni+2 + H2O
-        log_k   12.45
-        delta_h -23.92  kcal
+        NiO + 2 H+ = Ni+2 + H2O
+        log_k 12.45
+        delta_h -23.92 kcal
 Ni3(PO4)2
-        Ni3(PO4)2 = 3Ni+2 + 2PO4-3
-        log_k   -31.3
-        delta_h -0      kcal
+        Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
+        log_k -31.3
+        delta_h -0 kcal
 Millerite
         NiS + H+ = Ni+2 + HS-
-        log_k   -8.042
-        delta_h 2.5     kcal
+        log_k -8.042
+        delta_h 2.5 kcal
 Retgersite
-        NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
-        log_k   -2.04
-        delta_h 1.1     kcal
+        NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+        log_k -2.04
+        delta_h 1.1 kcal
 Morenosite
-        NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
-        log_k   -2.36
-        delta_h 2.94    kcal
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+        log_k -2.36
+        delta_h 2.94 kcal
 Ni2SiO4
-        Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4
-        log_k   14.54
-        delta_h -33.36  kcal
+        Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4
+        log_k 14.54
+        delta_h -33.36 kcal
 AgMetal
         Ag = Ag+ + e-
-        log_k   -13.51
-        delta_h 25.234  kcal
+        log_k -13.51
+        delta_h 25.234 kcal
 Bromyrite
         AgBr = Ag+ + Br-
-        log_k   -12.27
-        delta_h 20.17   kcal
+        log_k -12.27
+        delta_h 20.17 kcal
 Cerargyrite
         AgCl = Ag+ + Cl-
-        log_k   -9.75
-        delta_h 15.652  kcal
+        log_k -9.75
+        delta_h 15.652 kcal
 Ag2CO3
-        Ag2CO3 = 2Ag+ + CO3-2
-        log_k   -11.07
-        delta_h 9.53    kcal
+        Ag2CO3 = 2 Ag+ + CO3-2
+        log_k -11.07
+        delta_h 9.53 kcal
 AgF:4H2O
-        AgF:4H2O = Ag+ + F- + 4H2O
-        log_k   0.55
-        delta_h 4.27    kcal
+        AgF:4H2O = Ag+ + F- + 4 H2O
+        log_k 0.55
+        delta_h 4.27 kcal
 Iodyrite
         AgI = Ag+ + I-
-        log_k   -16.07
-        delta_h 26.82   kcal
+        log_k -16.07
+        delta_h 26.82 kcal
 Ag2O
-        Ag2O + 2H+ = 2Ag+ + H2O
-        log_k   12.58
-        delta_h -10.43  kcal
+        Ag2O + 2 H+ = 2 Ag+ + H2O
+        log_k 12.58
+        delta_h -10.43 kcal
 Ag3PO4
-        Ag3PO4 = 3Ag+ + PO4-3
-        log_k   -17.55
-        delta_h -0      kcal
+        Ag3PO4 = 3 Ag+ + PO4-3
+        log_k -17.55
+        delta_h -0 kcal
 Acanthite
-        Ag2S + H+ = 2Ag+ + HS-
-        log_k   -36.05
-        delta_h 53.3    kcal
+        Ag2S + H+ = 2 Ag+ + HS-
+        log_k -36.05
+        delta_h 53.3 kcal
 Ag2SO4
-        Ag2SO4 = 2Ag+ + SO4-2
-        log_k   -4.92
-        delta_h 4.25    kcal
+        Ag2SO4 = 2 Ag+ + SO4-2
+        log_k -4.92
+        delta_h 4.25 kcal
 Analcime
-        NaAlSi2O6:H2O + H2O + 4H+ = Na+ + Al+3 + 2H4SiO4
-        log_k   6.719
-        delta_h -22.84  kcal
+        NaAlSi2O6:H2O + H2O + 4 H+ = Na+ + Al+3 + 2 H4SiO4
+        log_k 6.719
+        delta_h -22.84 kcal
 Halloysite
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-        log_k   8.994
-        delta_h -39.73  kcal
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 8.994
+        delta_h -39.73 kcal
 Kaolinite
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-        log_k   5.726
-        delta_h -35.28  kcal
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 5.726
+        delta_h -35.28 kcal
 Leonhardite
-        Ca2Al4Si8O24:7H2O + H2O + 16H+ = 2Ca+2 + 8H4SiO4 + 4Al+3
-        log_k   16.49
-        delta_h -85.36  kcal
+        Ca2Al4Si8O24:7H2O + H2O + 16 H+ = 2 Ca+2 + 8 H4SiO4 + 4 Al+3
+        log_k 16.49
+        delta_h -85.36 kcal
 Albite(low)
-        NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4
-        log_k   2.592
-        delta_h -17.4   kcal
+        NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4
+        log_k 2.592
+        delta_h -17.4 kcal
 Albite
-        NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4
-        log_k   3.506
-        delta_h -20     kcal
+        NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4
+        log_k 3.506
+        delta_h -20 kcal
 Muscovite
-        KAl3Si3O10(OH)2 + 10H+ = K+ + 3Al+3 + 3H4SiO4
-        log_k   12.99
-        delta_h -59.34  kcal
+        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+        log_k 12.99
+        delta_h -59.34 kcal
 Annite
-        KFe3AlSi3O10(OH)2 + 10H+ = K+ + 3Fe+2 + Al+3 + 3H4SiO4
-        log_k   23.29
-        delta_h -65.72  kcal
+        KFe3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Fe+2 + Al+3 + 3 H4SiO4
+        log_k 23.29
+        delta_h -65.72 kcal
 Anorthite
-        CaAl2Si2O8 + 8H+ = Ca+2 + 2Al+3 + 2H4SiO4
-        log_k   25.43
-        delta_h -70.66  kcal
+        CaAl2Si2O8 + 8 H+ = Ca+2 + 2 Al+3 + 2 H4SiO4
+        log_k 25.43
+        delta_h -70.66 kcal
 Pyrophyllite
-        Al2Si4O10(OH)2 + 4H2O + 6H+ = 2Al+3 + 4H4SiO4
-        log_k   -1.598
-        delta_h -0      kcal
+        Al2Si4O10(OH)2 + 4 H2O + 6 H+ = 2 Al+3 + 4 H4SiO4
+        log_k -1.598
+        delta_h -0 kcal
 Laumontite
-        CaAl2Si4O12:4H2O + 8H+ = Ca+2 + 2Al+3 + 4H4SiO4
-        log_k   14.46
-        delta_h -50.45  kcal
+        CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 H4SiO4
+        log_k 14.46
+        delta_h -50.45 kcal
 Wairakite
-        CaAl2Si4O12:2H2O + 8H+ + 2H2O = Ca+2 + 2Al+3 + 4H4SiO4
-        log_k   18.87
-        delta_h -63.15  kcal
+        CaAl2Si4O12:2H2O + 8 H+ + 2 H2O = Ca+2 + 2 Al+3 + 4 H4SiO4
+        log_k 18.87
+        delta_h -63.15 kcal
 Malachite
-        Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
-        log_k   -5.18
-        delta_h -15.61  kcal
+        Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2
+        log_k -5.18
+        delta_h -15.61 kcal
 Azurite
-        Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
-        log_k   -16.92
-        delta_h -23.77  kcal
+        Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2
+        log_k -16.92
+        delta_h -23.77 kcal
 Arsenolite
-        As4O6 + 6H2O = 4H3AsO3
-        log_k   -2.801
-        delta_h 14.33   kcal
+        As4O6 + 6 H2O = 4 H3AsO3
+        log_k -2.801
+        delta_h 14.33 kcal
 Claudetite
-        As4O6 + 6H2O = 4H3AsO3
-        log_k   -3.065
-        delta_h 13.29   kcal
+        As4O6 + 6 H2O = 4 H3AsO3
+        log_k -3.065
+        delta_h 13.29 kcal
 AsI3
-        AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
-        log_k   4.155
-        delta_h 1.875   kcal
+        AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
+        log_k 4.155
+        delta_h 1.875 kcal
 Oripment
-        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
-        log_k   -60.971
-        delta_h 82.89   kcal
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+        log_k -60.971
+        delta_h 82.89 kcal
 Realgar
-        AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
-        log_k   -19.747
-        delta_h 30.545  kcal
+        AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
+        log_k -19.747
+        delta_h 30.545 kcal
 As2O5
-        As2O5 + 3H2O = 2H3AsO4
-        log_k   6.699
-        delta_h -5.405  kcal
+        As2O5 + 3 H2O = 2 H3AsO4
+        log_k 6.699
+        delta_h -5.405 kcal
 Sb
-        Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
-        log_k   -11.7058
-        delta_h 20.045  kcal
+        Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e-
+        log_k -11.7058
+        delta_h 20.045 kcal
 Stibnite
-        Sb2S3 + 6H2O = 2Sb(OH)3 + 3HS- + 3H+
-        log_k   -60.156
-        delta_h 69.29   kcal
+        Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 HS- + 3 H+
+        log_k -60.156
+        delta_h 69.29 kcal
 Sb2Se3
-        Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
-        log_k   -67.7571
-        delta_h 81.99   kcal
+        Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+
+        log_k -67.7571
+        delta_h 81.99 kcal
 NiSb
-        NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
-        log_k   -18.5225
-        delta_h 22.945  kcal
+        NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2
+        log_k -18.5225
+        delta_h 22.945 kcal
 ZnSb
-        ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
-        log_k   11.0138
+        ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+
+        log_k 11.0138
         delta_h -13.116 kcal
 AlSb
-        AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
-        log_k   65.6241
-        delta_h -0      kcal
+        AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+
+        log_k 65.6241
+        delta_h -0 kcal
 CdSb
-        CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
-        log_k   -0.3943
-        delta_h 5.345   kcal
+        CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2
+        log_k -0.3943
+        delta_h 5.345 kcal
 Mg2Sb3
-        Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
-        log_k   74.6838
-        delta_h -0      kcal
+        Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e-
+        log_k 74.6838
+        delta_h -0 kcal
 Ag3Sb
-        Ag3Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
-        log_k   -56.1818
-        delta_h -0      kcal
+        Ag3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 Ag+ + 3 H+
+        log_k -56.1818
+        delta_h -0 kcal
 Na3Sb
-        Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
-        log_k   94.4084
-        delta_h -103.245        kcal
+        Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e-
+        log_k 94.4084
+        delta_h -103.245 kcal
 NaSb
-        NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
-        log_k   23.177
+        NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e-
+        log_k 23.177
         delta_h -22.385 kcal
 Mn2Sb
-        Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
-        log_k   61.0796
-        delta_h -0      kcal
+        Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+
+        log_k 61.0796
+        delta_h -0 kcal
 Ca3Sb2
-        Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
-        log_k   142.974
+        Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e-
+        log_k 142.974
         delta_h -175.13 kcal
 USb2
-        USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
-        log_k   29.5246
-        delta_h -24.68  kcal
+        USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+
+        log_k 29.5246
+        delta_h -24.68 kcal
 Cu2Sb
-        Cu2Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
-        log_k   -34.8827
-        delta_h 55.745  kcal
+        Cu2Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2
+        log_k -34.8827
+        delta_h 55.745 kcal
 MnSb
-        MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
-        log_k   -2.9099
-        delta_h 5.045   kcal
+        MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+
+        log_k -2.9099
+        delta_h 5.045 kcal
 Cu3Sb
-        Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
-        log_k   -42.5937
-        delta_h 73.645  kcal
+        Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+
+        log_k -42.5937
+        delta_h 73.645 kcal
 U3Sb4
-        U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
-        log_k   152.329
+        U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+
+        log_k 152.329
         delta_h -235.72 kcal
 Sb2O4
-        Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
-        log_k   3.4597
-        delta_h -16.27  kcal
+        Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3
+        log_k 3.4597
+        delta_h -16.27 kcal
 Sb4O6II
-        Sb4O6 + 6H2O = 4Sb(OH)3
-        log_k   -19.6586
-        delta_h 14.6    kcal
+        Sb4O6 + 6 H2O = 4 Sb(OH)3
+        log_k -19.6586
+        delta_h 14.6 kcal
 Sb4O6I
-        Sb4O6 + 6H2O = 4Sb(OH)3
-        log_k   -17.0346
-        delta_h 8.99    kcal
+        Sb4O6 + 6 H2O = 4 Sb(OH)3
+        log_k -17.0346
+        delta_h 8.99 kcal
 Sb(OH)3(s)
         Sb(OH)3 = Sb(OH)3
-        log_k   -7.1099
-        delta_h 7.2     kcal
+        log_k -7.1099
+        delta_h 7.2 kcal
 Cu(SbO3)2
-        Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
-        log_k   45.2105
-        delta_h -0      kcal
+        Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2
+        log_k 45.2105
+        delta_h -0 kcal
 Sb2O3
-        Sb2O3 + 3H2O = 2Sb(OH)3
-        log_k   -12.3654
-        delta_h 7.325   kcal
+        Sb2O3 + 3 H2O = 2 Sb(OH)3
+        log_k -12.3654
+        delta_h 7.325 kcal
 Sb2O3
-        Sb2O3 + 3H2O = 2Sb(OH)3
-        log_k   -8.4806
-        delta_h 4.545   kcal
+        Sb2O3 + 3 H2O = 2 Sb(OH)3
+        log_k -8.4806
+        delta_h 4.545 kcal
 Sb2O5
-        Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
-        log_k   -12.4827
-        delta_h -0      kcal
+        Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+
+        log_k -12.4827
+        delta_h -0 kcal
 SbO2
-        SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
-        log_k   -27.8241
-        delta_h -0      kcal
+        SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+
+        log_k -27.8241
+        delta_h -0 kcal
 SbBr3
-        SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
-        log_k   1.0562
-        delta_h -5.072  kcal
+        SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+
+        log_k 1.0562
+        delta_h -5.072 kcal
 SbCl3
-        SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
-        log_k   0.5915
-        delta_h -8.414  kcal
+        SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+
+        log_k 0.5915
+        delta_h -8.414 kcal
 SbF3
-        SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
-        log_k   -10.2251
-        delta_h -1.608  kcal
+        SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F-
+        log_k -10.2251
+        delta_h -1.608 kcal
 SbI3
-        SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
-        log_k   -0.538
-        delta_h 3.248   kcal
+        SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I-
+        log_k -0.538
+        delta_h 3.248 kcal
 Zn(BO2)2
-        Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
-        log_k   8.29
-        delta_h -0      kcal
+        Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
+        log_k 8.29
+        delta_h -0 kcal
 Cd(BO2)2
-        Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
-        log_k   9.84
-        delta_h -0      kcal
+        Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
+        log_k 9.84
+        delta_h -0 kcal
 Pb(BO2)2
-        Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
-        log_k   7.61
-        delta_h -5.8    kcal
+        Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
+        log_k 7.61
+        delta_h -5.8 kcal
 MnHPO4(C)
         MnHPO4 = Mn+2 + PO4-3 + H+
-        log_k   -25.4
-        delta_h -0      kcal
+        log_k -25.4
+        delta_h -0 kcal
 PbHPO4
         PbHPO4 = Pb+2 + PO4-3 + H+
-        log_k   -23.9
-        delta_h -0      kcal
+        log_k -23.9
+        delta_h -0 kcal
 Pb3(PO4)2
-        Pb3(PO4)2 = 3Pb+2 + 2PO4-3
-        log_k   -44.5
-        delta_h -0      kcal
+        Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3
+        log_k -44.5
+        delta_h -0 kcal
 Sulfur
-        S + H+ + 2e- = HS-
-        log_k   -2.11
-        delta_h -4.2    kcal
+        S + H+ + 2 e- = HS-
+        log_k -2.11
+        delta_h -4.2 kcal
 AlAsO4:2H2O
-        AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
-        log_k   4.8
-        delta_h -0      kcal
+        AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O
+        log_k 4.8
+        delta_h -0 kcal
 Ca3(AsO4)2:6H2O
-        Ca3(AsO4)2:6H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 6H2O
-        log_k   22.3
-        delta_h -0      kcal
+        Ca3(AsO4)2:6H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 6 H2O
+        log_k 22.3
+        delta_h -0 kcal
 Cu3(AsO4)2:6H2O
-        Cu3(AsO4)2:6H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 6H2O
-        log_k   6.1
-        delta_h -0      kcal
+        Cu3(AsO4)2:6H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 6 H2O
+        log_k 6.1
+        delta_h -0 kcal
 FeAsO4:2H2O
-        FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
-        log_k   0.4
-        delta_h -0      kcal
+        FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O
+        log_k 0.4
+        delta_h -0 kcal
 Mn3(AsO4)2:8H2O
-        Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
-        log_k   12.5
-        delta_h -0      kcal
+        Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O
+        log_k 12.5
+        delta_h -0 kcal
 Ni3(AsO4)2:8H2O
-        Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
-        log_k   15.7
-        delta_h -0      kcal
+        Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O
+        log_k 15.7
+        delta_h -0 kcal
 Pb3(AsO4)2
-        Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
-        log_k   5.8
-        delta_h -0      kcal
+        Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4
+        log_k 5.8
+        delta_h -0 kcal
 Zn3(AsO4)2:2.5H2O
-        Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
-        log_k   13.65
-        delta_h -0      kcal
+        Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O
+        log_k 13.65
+        delta_h -0 kcal
 Ba3(AsO4)2
-        Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
-        log_k   -8.91
-        delta_h 2.64    kcal
+        Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4
+        log_k -8.91
+        delta_h 2.64 kcal
 VMetal
-        V = V+3 + 3e-
-        log_k   42.35
-        delta_h -62.9   kcal
+        V = V+3 + 3 e-
+        log_k 42.35
+        delta_h -62.9 kcal
 VO
-        VO + 2H+ = V+3 + H2O + e-
-        log_k   13.08
-        delta_h -28.02  kcal
+        VO + 2 H+ = V+3 + H2O + e-
+        log_k 13.08
+        delta_h -28.02 kcal
 VCl2
-        VCl2 = V+3 + 2Cl- + e-
-        log_k   17.97
-        delta_h -35.8   kcal
+        VCl2 = V+3 + 2 Cl- + e-
+        log_k 17.97
+        delta_h -35.8 kcal
 V2O3
-        VO1.5 + 3H+ = V+3 + 1.5H2O
-        log_k   4.9
-        delta_h -19.72  kcal
+        VO1.5 + 3 H+ = V+3 + 1.5 H2O
+        log_k 4.9
+        delta_h -19.72 kcal
 V(OH)3
-        V(OH)3 + 3H+ = V+3 + 3H2O
-        log_k   7.65
-        delta_h -0      kcal
+        V(OH)3 + 3 H+ = V+3 + 3 H2O
+        log_k 7.65
+        delta_h -0 kcal
 VCl3
-        VCl3 = V+3 + 3Cl-
-        log_k   21.73
-        delta_h -43.96  kcal
+        VCl3 = V+3 + 3 Cl-
+        log_k 21.73
+        delta_h -43.96 kcal
 VOCl
-        VOCl + 2H+ = V+3 + Cl- + H2O
-        log_k   9.41
-        delta_h -26.17  kcal
+        VOCl + 2 H+ = V+3 + Cl- + H2O
+        log_k 9.41
+        delta_h -26.17 kcal
 V2O4
-        VO2 + 2H+ = VO+2 + H2O
-        log_k   4.27
-        delta_h -14.07  kcal
+        VO2 + 2 H+ = VO+2 + H2O
+        log_k 4.27
+        delta_h -14.07 kcal
 VO(OH)2
-        VO(OH)2 + 2H+ = VO+2 + 2H2O
-        log_k   5.85
-        delta_h -0      kcal
+        VO(OH)2 + 2 H+ = VO+2 + 2 H2O
+        log_k 5.85
+        delta_h -0 kcal
 VF4
-        VF4 + H2O = VO+2 + 4F- + 2H+
-        log_k   14.93
-        delta_h -47.59  kcal
+        VF4 + H2O = VO+2 + 4 F- + 2 H+
+        log_k 14.93
+        delta_h -47.59 kcal
 VOSO4(C)
         VOSO4 = VO+2 + SO4-2
-        log_k   3.57
-        delta_h -20.72  kcal
+        log_k 3.57
+        delta_h -20.72 kcal
 # equation does not balance
 #(VO)3(PO4)2
 #       (VO)3(PO4)2 = VO+2 + 0.667PO4-3
 #       log_k   -8.37
 #       delta_h -0      kcal
 VOCl2
-        VOCl2 = VO+2 + 2Cl-
-        log_k   12.79
-        delta_h -28.2   kcal
+        VOCl2 = VO+2 + 2 Cl-
+        log_k 12.79
+        delta_h -28.2 kcal
 V2O5
-        VO2.5 + H+ = VO2+ + 0.5H2O
-        log_k   -0.72
-        delta_h -4.16   kcal
+        VO2.5 + H+ = VO2+ + 0.5 H2O
+        log_k -0.72
+        delta_h -4.16 kcal
 Tyuyamunite
-        Ca0.5UO2VO4 + 4H+ = 0.5Ca+2 + UO2+2 + VO2+ + 2H2O
-        log_k   2.04
-        delta_h -18.3   kcal
+        Ca0.5UO2VO4 + 4 H+ = 0.5 Ca+2 + UO2+2 + VO2+ + 2 H2O
+        log_k 2.04
+        delta_h -18.3 kcal
 Ca_Vanadate
-        Ca0.5VO3 + 2H+ = 0.5Ca+2 + VO2+ + H2O
-        log_k   2.83
-        delta_h -10.13  kcal
+        Ca0.5VO3 + 2 H+ = 0.5 Ca+2 + VO2+ + H2O
+        log_k 2.83
+        delta_h -10.13 kcal
 Ca3(VO4)2
-        Ca1.5VO4 + 4H+ = 1.5Ca+2 + VO2+ + 2H2O
-        log_k   19.48
-        delta_h -35.07  kcal
+        Ca1.5VO4 + 4 H+ = 1.5 Ca+2 + VO2+ + 2 H2O
+        log_k 19.48
+        delta_h -35.07 kcal
 Ca2V2O7
-        CaVO3.5 + 3H+ = Ca+2 + VO2+ + 1.5H2O
-        log_k   8.75
-        delta_h -19.06  kcal
+        CaVO3.5 + 3 H+ = Ca+2 + VO2+ + 1.5 H2O
+        log_k 8.75
+        delta_h -19.06 kcal
 Fe_Vanadate
-        Fe0.5VO3 + 2H+ = 0.5Fe+2 + VO2+ + H2O
-        log_k   -1.86
-        delta_h -7.37   kcal
+        Fe0.5VO3 + 2 H+ = 0.5 Fe+2 + VO2+ + H2O
+        log_k -1.86
+        delta_h -7.37 kcal
 Mg_Vanadate
-        Mg0.5VO3 + 2H+ = 0.5Mg+2 + VO2+ + H2O
-        log_k   5.64
-        delta_h -16.33  kcal
+        Mg0.5VO3 + 2 H+ = 0.5 Mg+2 + VO2+ + H2O
+        log_k 5.64
+        delta_h -16.33 kcal
 Mg2V2O7
-        MgVO3.5 + 3H+ = Mg+2 + VO2+ + 1.5H2O
-        log_k   13.18
-        delta_h -30.5   kcal
+        MgVO3.5 + 3 H+ = Mg+2 + VO2+ + 1.5 H2O
+        log_k 13.18
+        delta_h -30.5 kcal
 Mn_Vanadate
-        Mn0.5VO3 + 2H+ = 0.5Mn+2 + VO2+ + H2O
-        log_k   2.45
-        delta_h -11.05  kcal
+        Mn0.5VO3 + 2 H+ = 0.5 Mn+2 + VO2+ + H2O
+        log_k 2.45
+        delta_h -11.05 kcal
 NH4VO3
-        NH4VO3 + 2H+ = NH4+ + VO2+ + H2O
-        log_k   2.69
-        delta_h -3.77   kcal
+        NH4VO3 + 2 H+ = NH4+ + VO2+ + H2O
+        log_k 2.69
+        delta_h -3.77 kcal
 Na_Vanadate
-        NaVO3 + 2H+ = Na+ + VO2+ + H2O
-        log_k   3.71
-        delta_h -7.01   kcal
+        NaVO3 + 2 H+ = Na+ + VO2+ + H2O
+        log_k 3.71
+        delta_h -7.01 kcal
 Na3VO4
-        Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
-        log_k   36.94
-        delta_h -44.42  kcal
+        Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O
+        log_k 36.94
+        delta_h -44.42 kcal
 Na4V2O7
-        Na2VO3.5 + 3H+ = 2Na+ + VO2+ + 1.5H2O
-        log_k   18.7
-        delta_h -24.03  kcal
+        Na2VO3.5 + 3 H+ = 2 Na+ + VO2+ + 1.5 H2O
+        log_k 18.7
+        delta_h -24.03 kcal
 Pb3(VO4)2
-        Pb1.5VO4 + 4H+ = 1.5Pb+2 + VO2+ + 2H2O
-        log_k   3.07
-        delta_h -8.68   kcal
+        Pb1.5VO4 + 4 H+ = 1.5 Pb+2 + VO2+ + 2 H2O
+        log_k 3.07
+        delta_h -8.68 kcal
 Pb2V2O7
-        PbVO3.5 + 3H+ = Pb+2 + VO2+ + 1.5H2O
-        log_k   -0.95
-        delta_h -3.22   kcal
+        PbVO3.5 + 3 H+ = Pb+2 + VO2+ + 1.5 H2O
+        log_k -0.95
+        delta_h -3.22 kcal
 Carnotite
-        KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
-        log_k   0.23
-        delta_h -8.7    kcal
+        KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O
+        log_k 0.23
+        delta_h -8.7 kcal
 Ag_Vanadate
-        AgVO3 + 2H+ = Ag+ + VO2+ + H2O
-        log_k   0.77
-        delta_h -0      kcal
+        AgVO3 + 2 H+ = Ag+ + VO2+ + H2O
+        log_k 0.77
+        delta_h -0 kcal
 Ag2HVO4
-        Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
-        log_k   1.48
-        delta_h -0      kcal
+        Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O
+        log_k 1.48
+        delta_h -0 kcal
 Ag3H2VO5
-        Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
-        log_k   5.18
-        delta_h -0      kcal
+        Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O
+        log_k 5.18
+        delta_h -0 kcal
 VO2Cl
         VO2Cl = VO2+ + Cl-
-        log_k   2.81
-        delta_h -9.65   kcal
+        log_k 2.81
+        delta_h -9.65 kcal
 V3O5
-        V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
-        log_k   1.87
-        delta_h -23.53  kcal
+        V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e-
+        log_k 1.87
+        delta_h -23.53 kcal
 V4O7
-        V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
-        log_k   7.14
-        delta_h -39.15  kcal
+        V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e-
+        log_k 7.14
+        delta_h -39.15 kcal
 V6O13
-        V6O13 + 2H+ = 6VO2+ + H2O + 4e-
-        log_k   -60.86
-        delta_h 64.89   kcal
+        V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e-
+        log_k -60.86
+        delta_h 64.89 kcal
 Lime
-        CaO + 2H+ = Ca+2 + H2O
-        log_k   32.797
+        CaO + 2 H+ = Ca+2 + H2O
+        log_k 32.797
         delta_h -46.265 kcal
 Portlandite
-        Ca(OH)2 + 2H+ = Ca+2 + 2H2O
-        log_k   22.675
-        delta_h -30.69  kcal
+        Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+        log_k 22.675
+        delta_h -30.69 kcal
 
 #       not balanced
 #Wustite
@@ -4859,213 +4863,213 @@ Portlandite
 #       log_k   11.687
 #       delta_h -24.846 kcal
 Periclase
-        MgO + 2H+ = Mg+2 + H2O
-        log_k   21.51
+        MgO + 2 H+ = Mg+2 + H2O
+        log_k 21.51
         delta_h -36.135 kcal
 Hercynite
-        FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
-        log_k   27.162
-        delta_h -78.36  kcal
+        FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+        log_k 27.162
+        delta_h -78.36 kcal
 Spinel
-        MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
-        log_k   36.333
+        MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+        log_k 36.333
         delta_h -89.089 kcal
 Mg-Ferrite
-        MgFe2O4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
-        log_k   16.765
+        MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+        log_k 16.765
         delta_h -66.639 kcal
 Cryolite
-        Na3AlF6 = Al+3 + 3Na+ + 6F-
-        log_k   -31.49
-        delta_h 10.904  kcal
+        Na3AlF6 = Al+3 + 3 Na+ + 6 F-
+        log_k -31.49
+        delta_h 10.904 kcal
 Wollastonite
-        CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2
-        log_k   12.996
+        CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2
+        log_k 12.996
         delta_h -19.498 kcal
 P-Wollstanite
-        CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2
-        log_k   13.846
+        CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2
+        log_k 13.846
         delta_h -21.068 kcal
 Ca-Olivine
-        Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2
-        log_k   37.649
+        Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2
+        log_k 37.649
         delta_h -54.695 kcal
 Larnite
-        Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2
-        log_k   39.141
+        Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2
+        log_k 39.141
         delta_h -57.238 kcal
 Ca3SiO5
-        Ca3SiO5 + 6H+ = H4SiO4 + 3Ca+2 + H2O
-        log_k   73.867
-        delta_h -106.335        kcal
+        Ca3SiO5 + 6 H+ = H4SiO4 + 3 Ca+2 + H2O
+        log_k 73.867
+        delta_h -106.335 kcal
 Monticellite
-        CaMgSiO4 + 4H+ = H4SiO4 + Ca+2 + Mg+2
-        log_k   30.272
+        CaMgSiO4 + 4 H+ = H4SiO4 + Ca+2 + Mg+2
+        log_k 30.272
         delta_h -49.421 kcal
 Akerminite
-        Ca2MgSi2O7 + H2O + 6H+ = 2H4SiO4 + 2Ca+2 + Mg+2
-        log_k   47.472
+        Ca2MgSi2O7 + H2O + 6 H+ = 2 H4SiO4 + 2 Ca+2 + Mg+2
+        log_k 47.472
         delta_h -76.445 kcal
 Merwinite
-        Ca3MgSi2O8 + 8H+ = 2H4SiO4 + Mg+2 + 3Ca+2
-        log_k   68.543
-        delta_h -107.111        kcal
+        Ca3MgSi2O8 + 8 H+ = 2 H4SiO4 + Mg+2 + 3 Ca+2
+        log_k 68.543
+        delta_h -107.111 kcal
 Kalsilite
-        KAlSiO4 + 4H+ = H4SiO4 + Al+3 + K+
-        log_k   12.838
+        KAlSiO4 + 4 H+ = H4SiO4 + Al+3 + K+
+        log_k 12.838
         delta_h -28.919 kcal
 Leucite
-        KAlSi2O6 + 2H2O + 4H+ = 2H4SiO4 + Al+3 + K+
-        log_k   6.423
+        KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+
+        log_k 6.423
         delta_h -22.085 kcal
 Microcline
-        KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+
-        log_k   0.616
+        KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+
+        log_k 0.616
         delta_h -12.309 kcal
 Sanidine(H)
-        KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+
-        log_k   1.062
+        KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+
+        log_k 1.062
         delta_h -14.252 kcal
 Nepheline
-        NaAlSiO4 + 4H+ = H4SiO4 + Al+3 + Na+
-        log_k   14.218
+        NaAlSiO4 + 4 H+ = H4SiO4 + Al+3 + Na+
+        log_k 14.218
         delta_h -33.204 kcal
 Gehlenite
-        Ca2Al2SiO7 + 10H+ = 2Al+3 + H4SiO4 + 2Ca+2 + 3H2O
-        log_k   56.822
-        delta_h -116.125        kcal
+        Ca2Al2SiO7 + 10 H+ = 2 Al+3 + H4SiO4 + 2 Ca+2 + 3 H2O
+        log_k 56.822
+        delta_h -116.125 kcal
 Lepidocrocite
-        FeOOH + 3H+ = Fe+3 + 2H2O
-        log_k   1.371
-        delta_h -0      kcal
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k 1.371
+        delta_h -0 kcal
 Na-Nontronite
-        Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33Na+ + 3.67H4SiO4
-        log_k   -14.504
-        delta_h -0      kcal
+        Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 Na+ + 3.67 H4SiO4
+        log_k -14.504
+        delta_h -0 kcal
 K-Nontronite
-        Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33K+ + 3.67H4SiO4
-        log_k   -15.549
-        delta_h -0      kcal
+        Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 K+ + 3.67 H4SiO4
+        log_k -15.549
+        delta_h -0 kcal
 Ca-Nontronite
-        Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Ca+2 + 3.67H4SiO4
-        log_k   -20.889
-        delta_h -0      kcal
+        Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Ca+2 + 3.67 H4SiO4
+        log_k -20.889
+        delta_h -0 kcal
 Mg-Nontronite
-        Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Mg+2 + 3.67H4SiO4
-        log_k   -20.589
-        delta_h -0      kcal
+        Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Mg+2 + 3.67 H4SiO4
+        log_k -20.589
+        delta_h -0 kcal
 Montmorillonite
-        Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76H+ + 3.24H2O = 3.81H4SiO4 + 0.485Mg+2 + 0.22Fe+3 + 1.71Al+3
-        log_k   2.67
-        delta_h -0      kcal
+        Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76 H+ + 3.24 H2O = 3.81 H4SiO4 + 0.485 Mg+2 + 0.22 Fe+3 + 1.71 Al+3
+        log_k 2.67
+        delta_h -0 kcal
 TlMetal
         Tl = Tl+ + e-
-        log_k   5.6733
-        delta_h 1.28    kcal
+        log_k 5.6733
+        delta_h 1.28 kcal
 Tl2O
-        Tl2O + 2H+ = 2Tl+ + H2O
-        log_k   27.0984
+        Tl2O + 2 H+ = 2 Tl+ + H2O
+        log_k 27.0984
         delta_h -23.055 kcal
 TlOH
         TlOH + H+ = Tl+ + H2O
-        log_k   12.9225
-        delta_h -9.935  kcal
+        log_k 12.9225
+        delta_h -9.935 kcal
 TlCl
         TlCl = Tl+ + Cl-
-        log_k   -3.7243
-        delta_h 10.137  kcal
+        log_k -3.7243
+        delta_h 10.137 kcal
 TlBr
         TlBr = Tl+ + Br-
-        log_k   -5.419
-        delta_h 13.641  kcal
+        log_k -5.419
+        delta_h 13.641 kcal
 TlI
         TlI = Tl+ + I-
-        log_k   -7.1964
-        delta_h 17.281  kcal
+        log_k -7.1964
+        delta_h 17.281 kcal
 Tl2S
-        Tl2S + H+ = 2Tl+ + HS-
-        log_k   -7.1832
-        delta_h 21.56   kcal
+        Tl2S + H+ = 2 Tl+ + HS-
+        log_k -7.1832
+        delta_h 21.56 kcal
 Tl2SO4
-        Tl2SO4 = 2Tl+ + SO4-2
-        log_k   -3.6942
-        delta_h 7.94    kcal
+        Tl2SO4 = 2 Tl+ + SO4-2
+        log_k -3.6942
+        delta_h 7.94 kcal
 Tl2Se
-        Tl2Se + H+ = 2Tl+ + HSe-
-        log_k   -6.6848
-        delta_h 20.36   kcal
+        Tl2Se + H+ = 2 Tl+ + HSe-
+        log_k -6.6848
+        delta_h 20.36 kcal
 Tl2SeO4
-        Tl2SeO4 = 2Tl+ + SeO4-2
-        log_k   -4.0168
-        delta_h 9.76    kcal
+        Tl2SeO4 = 2 Tl+ + SeO4-2
+        log_k -4.0168
+        delta_h 9.76 kcal
 TlNO3
         TlNO3 = Tl+ + NO3-
-        log_k   -1.5319
-        delta_h 10.02   kcal
+        log_k -1.5319
+        delta_h 10.02 kcal
 Tl2CO3
-        Tl2CO3 = 2Tl+ + CO3-2
-        log_k   -3.8482
-        delta_h 8.02    kcal
+        Tl2CO3 = 2 Tl+ + CO3-2
+        log_k -3.8482
+        delta_h 8.02 kcal
 Tl(OH)3
         Tl(OH)3 = Tl(OH)3
-        log_k   -6.4503
-        delta_h -0      kcal
+        log_k -6.4503
+        delta_h -0 kcal
 Avicennite
-        Tl2O3 + 3H2O = 2Tl(OH)3
-        log_k   -16.3236
-        delta_h -0      kcal
+        Tl2O3 + 3 H2O = 2 Tl(OH)3
+        log_k -16.3236
+        delta_h -0 kcal
 Se(hex)
-        Se + H+ + 2e- = HSe-
-        log_k   -7.6963
-        delta_h 3.8     kcal
+        Se + H+ + 2 e- = HSe-
+        log_k -7.6963
+        delta_h 3.8 kcal
 Se(A)
-        Se + H+ + 2e- = HSe-
-        log_k   -7.1099
-        delta_h 2.6     kcal
+        Se + H+ + 2 e- = HSe-
+        log_k -7.1099
+        delta_h 2.6 kcal
 Ferroselite
-        FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
-        log_k   -18.5959
-        delta_h 11.3    kcal
+        FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2
+        log_k -18.5959
+        delta_h 11.3 kcal
 Clausthalite
         PbSe + H+ = HSe- + Pb+2
-        log_k   -21.2162
-        delta_h 28      kcal
+        log_k -21.2162
+        delta_h 28 kcal
 Ag2Se
-        Ag2Se + H+ = HSe- + 2Ag+
-        log_k   -43.6448
-        delta_h 64.95   kcal
+        Ag2Se + H+ = HSe- + 2 Ag+
+        log_k -43.6448
+        delta_h 64.95 kcal
 CdSe
         CdSe + H+ = HSe- + Cd+2
-        log_k   -18.0739
-        delta_h 18.16   kcal
+        log_k -18.0739
+        delta_h 18.16 kcal
 CuSe
         CuSe + H+ = HSe- + Cu+2
-        log_k   -26.5121
-        delta_h 28.95   kcal
+        log_k -26.5121
+        delta_h 28.95 kcal
 Cu2Se(alpha)
-        Cu2Se + H+ = HSe- + 2Cu+
-        log_k   -36.0922
-        delta_h 51.21   kcal
+        Cu2Se + H+ = HSe- + 2 Cu+
+        log_k -36.0922
+        delta_h 51.21 kcal
 CuSe2
-        CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
-        log_k   -33.3655
-        delta_h 33.6    kcal
+        CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2
+        log_k -33.3655
+        delta_h 33.6 kcal
 Cu3Se2
-        Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
-        log_k   -63.4911
-        delta_h 81.34   kcal
+        Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2
+        log_k -63.4911
+        delta_h 81.34 kcal
 FeSe
         FeSe + H+ = HSe- + Fe+2
-        log_k   -7.1466
-        delta_h 0.5     kcal
+        log_k -7.1466
+        delta_h 0.5 kcal
 MnSe
         MnSe + H+ = HSe- + Mn+2
-        log_k   5.3508
-        delta_h -13.46  kcal
+        log_k 5.3508
+        delta_h -13.46 kcal
 ZnSe
         ZnSe + H+ = HSe- + Zn+2
-        log_k   -11.3642
-        delta_h 6.439   kcal
+        log_k -11.3642
+        delta_h 6.439 kcal
 
 #       cobalt not defined
 #CoSe
@@ -5075,52 +5079,52 @@ ZnSe
 
 NiSe
         NiSe + H+ = HSe- + Ni+2
-        log_k   -17.7382
-        delta_h -0      kcal
+        log_k -17.7382
+        delta_h -0 kcal
 SeO2
         SeO2 + H2O = HSeO3- + H+
-        log_k   0.1246
-        delta_h 0.335   kcal
+        log_k 0.1246
+        delta_h 0.335 kcal
 BaSeO3
         BaSeO3 + H+ = HSeO3- + Ba+2
-        log_k   4.1634
-        delta_h -6.28   kcal
+        log_k 4.1634
+        delta_h -6.28 kcal
 CaSeO3:2H2O
-        CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
-        log_k   2.8139
-        delta_h -4.65   kcal
+        CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O
+        log_k 2.8139
+        delta_h -4.65 kcal
 CuSeO3:2H2O
-        CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2H2O
-        log_k   0.4838
-        delta_h -8.81   kcal
+        CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2 H2O
+        log_k 0.4838
+        delta_h -8.81 kcal
 Fe2(SeO3)3:2H2O
-        Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
-        log_k   -20.6262
-        delta_h -0      kcal
+        Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O
+        log_k -20.6262
+        delta_h -0 kcal
 Fe2(OH)4SeO3
-        Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
-        log_k   1.5539
-        delta_h -0      kcal
+        Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O
+        log_k 1.5539
+        delta_h -0 kcal
 MgSeO3:6H2O
-        MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6H2O
-        log_k   4.0314
-        delta_h 1.25    kcal
+        MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6 H2O
+        log_k 4.0314
+        delta_h 1.25 kcal
 MnSeO3:2H2O
-        MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
-        log_k   0.9822
-        delta_h 2.03    kcal
+        MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O
+        log_k 0.9822
+        delta_h 2.03 kcal
 NiSeO3:2H2O
-        NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
-        log_k   2.8147
-        delta_h -7.41   kcal
+        NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O
+        log_k 2.8147
+        delta_h -7.41 kcal
 SrSeO3
         SrSeO3 + H+ = HSeO3- + Sr+2
-        log_k   0.1034
-        delta_h -0      kcal
+        log_k 0.1034
+        delta_h -0 kcal
 MnSeO3
         MnSeO3 + H+ = HSeO3- + Mn+2
-        log_k   1.21
-        delta_h -0      kcal
+        log_k 1.21
+        delta_h -0 kcal
 
 #       cobalt not defined
 #CoSeO3
@@ -5128,181 +5132,181 @@ MnSeO3
 #       log_k   0.1906
 #       delta_h -0      kcal
 Ag2SeO3
-        Ag2SeO3 + H+ = HSeO3- + 2Ag+
-        log_k   -7.07
-        delta_h 9.47    kcal
+        Ag2SeO3 + H+ = HSeO3- + 2 Ag+
+        log_k -7.07
+        delta_h 9.47 kcal
 SeO3
-        SeO3 + H2O = SeO4-2 + 2H+
-        log_k   21.044
+        SeO3 + H2O = SeO4-2 + 2 H+
+        log_k 21.044
         delta_h -34.985 kcal
 Ag2SeO4
-        Ag2SeO4 = SeO4-2 + 2Ag+
-        log_k   -8.9014
-        delta_h 10.45   kcal
+        Ag2SeO4 = SeO4-2 + 2 Ag+
+        log_k -8.9014
+        delta_h 10.45 kcal
 BaSeO4
         BaSeO4 = SeO4-2 + Ba+2
-        log_k   -5.1895
-        delta_h 2       kcal
+        log_k -5.1895
+        delta_h 2 kcal
 CaSeO4:2H2O
-        CaSeO4:2H2O = SeO4-2 + Ca+2 + 2H2O
-        log_k   -2.9473
-        delta_h 0.88    kcal
+        CaSeO4:2H2O = SeO4-2 + Ca+2 + 2 H2O
+        log_k -2.9473
+        delta_h 0.88 kcal
 PbSeO4
         PbSeO4 = SeO4-2 + Pb+2
-        log_k   -6.8387
-        delta_h 3.8     kcal
+        log_k -6.8387
+        delta_h 3.8 kcal
 SrSeO4
         SrSeO4 = SeO4-2 + Sr+2
-        log_k   -6.8747
-        delta_h 2.69    kcal
+        log_k -6.8747
+        delta_h 2.69 kcal
 HgMetal
-        Hg = 0.5Hg2+2 + e-
-        log_k   -13.4552
-        delta_h 19.935  kcal
+        Hg = 0.5 Hg2+2 + e-
+        log_k -13.4552
+        delta_h 19.935 kcal
 Hg2Br2
-        Hg2Br2 = Hg2+2 + 2Br-
-        log_k   -22.2091
-        delta_h 31.252  kcal
+        Hg2Br2 = Hg2+2 + 2 Br-
+        log_k -22.2091
+        delta_h 31.252 kcal
 Hg2CO3
         Hg2CO3 = Hg2+2 + CO3-2
-        log_k   -13.9586
-        delta_h -0      kcal
+        log_k -13.9586
+        delta_h -0 kcal
 Calomel
-        Hg2Cl2 = Hg2+2 + 2Cl-
-        log_k   -17.8427
-        delta_h 23.444  kcal
+        Hg2Cl2 = Hg2+2 + 2 Cl-
+        log_k -17.8427
+        delta_h 23.444 kcal
 Hg2F2
-        Hg2F2 = Hg2+2 + 2F-
-        log_k   -3.0811
-        delta_h -4.432  kcal
+        Hg2F2 = Hg2+2 + 2 F-
+        log_k -3.0811
+        delta_h -4.432 kcal
 Hg2I2
-        Hg2I2 = Hg2+2 + 2I-
-        log_k   -28.2782
-        delta_h -0      kcal
+        Hg2I2 = Hg2+2 + 2 I-
+        log_k -28.2782
+        delta_h -0 kcal
 Hg2(OH)2
-        Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
-        log_k   5.2603
-        delta_h -0      kcal
+        Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O
+        log_k 5.2603
+        delta_h -0 kcal
 Hg2HPO4
         Hg2HPO4 = Hg2+2 + H+ + PO4-3
-        log_k   -25.9795
-        delta_h -0      kcal
+        log_k -25.9795
+        delta_h -0 kcal
 Hg2S
         Hg2S + H+ = Hg2+2 + HS-
-        log_k   -11.6765
-        delta_h 16.67   kcal
+        log_k -11.6765
+        delta_h 16.67 kcal
 Hg2SO4
         Hg2SO4 = Hg2+2 + SO4-2
-        log_k   -6.1593
-        delta_h 0.23    kcal
+        log_k -6.1593
+        delta_h 0.23 kcal
 Hg2SeO3
         Hg2SeO3 + H+ = Hg2+2 + HSeO3-
-        log_k   -4.657
-        delta_h -0      kcal
+        log_k -4.657
+        delta_h -0 kcal
 HgBr2
-        HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-        log_k   -25.373
-        delta_h 34.452  kcal
+        HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
+        log_k -25.373
+        delta_h 34.452 kcal
 HgCO3
-        HgCO3 + 2H2O = Hg(OH)2 + CO3-2 + 2H+
-        log_k   -28.6817
-        delta_h 22.13   kcal
+        HgCO3 + 2 H2O = Hg(OH)2 + CO3-2 + 2 H+
+        log_k -28.6817
+        delta_h 22.13 kcal
 HgCl2
-        HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
-        log_k   -21.7858
-        delta_h 27.264  kcal
+        HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+
+        log_k -21.7858
+        delta_h 27.264 kcal
 Coccinite
-        HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
-        log_k   -34.6599
-        delta_h 49.732  kcal
+        HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+
+        log_k -34.6599
+        delta_h 49.732 kcal
 Montroydite
         HgO + H2O = Hg(OH)2
-        log_k   -3.6503
-        delta_h 5.115   kcal
+        log_k -3.6503
+        delta_h 5.115 kcal
 Hg(OH)2
         Hg(OH)2 = Hg(OH)2
-        log_k   -3.4963
-        delta_h -0      kcal
+        log_k -3.4963
+        delta_h -0 kcal
 Cinnabar
-        HgS + 2H2O = Hg(OH)2 + HS- + H+
-        log_k   -45.1885
-        delta_h 60.43   kcal
+        HgS + 2 H2O = Hg(OH)2 + HS- + H+
+        log_k -45.1885
+        delta_h 60.43 kcal
 Metacinnabar
-        HgS + 2H2O = Hg(OH)2 + HS- + H+
-        log_k   -44.822
-        delta_h 59.53   kcal
+        HgS + 2 H2O = Hg(OH)2 + HS- + H+
+        log_k -44.822
+        delta_h 59.53 kcal
 HgSO4
-        HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
-        log_k   -9.4189
-        delta_h 3.51    kcal
+        HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+
+        log_k -9.4189
+        delta_h 3.51 kcal
 HgSeO3
-        HgSeO3 + 2H2O = Hg(OH)2 + HSeO3- + H+
-        log_k   -12.6953
-        delta_h -0      kcal
+        HgSeO3 + 2 H2O = Hg(OH)2 + HSeO3- + H+
+        log_k -12.6953
+        delta_h -0 kcal
 HgI2:2NH3
-        HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
-        log_k   -16.1066
-        delta_h 32.632  kcal
+        HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+
+        log_k -16.1066
+        delta_h 32.632 kcal
 HgI2:6NH3
-        HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
-        log_k   33.8566
+        HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+
+        log_k 33.8566
         delta_h -20.568 kcal
 Cr(OH)2
-        Cr(OH)2 + 2H+ = Cr+2 + 2H2O
-        log_k   10.8189
-        delta_h -8.51   kcal
+        Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O
+        log_k 10.8189
+        delta_h -8.51 kcal
 CrBr3
-        CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
-        log_k   19.9086
+        CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+
+        log_k 19.9086
         delta_h -33.777 kcal
 CrCl3
-        CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
-        log_k   13.5067
+        CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+
+        log_k 13.5067
         delta_h -27.509 kcal
 CrF3
-        CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
-        log_k   -13.2597
-        delta_h -4.363  kcal
+        CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+
+        log_k -13.2597
+        delta_h -4.363 kcal
 CrI3
-        CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
-        log_k   20.4767
+        CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+
+        log_k 20.4767
         delta_h -32.127 kcal
 FeCr2O4
-        FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
-        log_k   -0.9016
-        delta_h -24.86  kcal
+        FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2
+        log_k -0.9016
+        delta_h -24.86 kcal
 MgCr2O4
-        MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
-        log_k   12.0796
-        delta_h -39.86  kcal
+        MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2
+        log_k 12.0796
+        delta_h -39.86 kcal
 CrMetal
-        Cr = Cr+2 + 2e-
-        log_k   32.244
-        delta_h -34.3   kcal
+        Cr = Cr+2 + 2 e-
+        log_k 32.244
+        delta_h -34.3 kcal
 Cr2O3
-        Cr2O3 + 2H+ + H2O = 2Cr(OH)2+
-        log_k   -3.3937
+        Cr2O3 + 2 H+ + H2O = 2 Cr(OH)2+
+        log_k -3.3937
         delta_h -12.125 kcal
 Cr(OH)3(A)
         Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-        log_k   -0.75
-        delta_h -0      kcal
+        log_k -0.75
+        delta_h -0 kcal
 Cr(OH)3(C)
         Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-        log_k   1.7005
-        delta_h -7.115  kcal
+        log_k 1.7005
+        delta_h -7.115 kcal
 CrCl2
-        CrCl2 = Cr+2 + 2Cl-
-        log_k   15.8676
+        CrCl2 = Cr+2 + 2 Cl-
+        log_k 15.8676
         delta_h -19.666 kcal
 Ag2CrO4
-        Ag2CrO4 = CrO4-2 + 2Ag+
-        log_k   -11.5548
-        delta_h 14.04   kcal
+        Ag2CrO4 = CrO4-2 + 2 Ag+
+        log_k -11.5548
+        delta_h 14.04 kcal
 BaCrO4
         BaCrO4 = CrO4-2 + Ba+2
-        log_k   -9.6681
-        delta_h 6.39    kcal
+        log_k -9.6681
+        delta_h 6.39 kcal
 
 #  Cesium not defined
 #Cs2CrO4
@@ -5316,335 +5320,335 @@ BaCrO4
 
 CuCrO4
         CuCrO4 = CrO4-2 + Cu+2
-        log_k   -5.4754
-        delta_h -0      kcal
+        log_k -5.4754
+        delta_h -0 kcal
 K2CrO4
-        K2CrO4 = CrO4-2 + 2K+
-        log_k   0.0073
-        delta_h 4.25    kcal
+        K2CrO4 = CrO4-2 + 2 K+
+        log_k 0.0073
+        delta_h 4.25 kcal
 K2Cr2O7
-        K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
-        log_k   -15.6712
-        delta_h 18.125  kcal
+        K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+
+        log_k -15.6712
+        delta_h 18.125 kcal
 Li2CrO4
-        Li2CrO4 = CrO4-2 + 2Li+
-        log_k   4.8568
+        Li2CrO4 = CrO4-2 + 2 Li+
+        log_k 4.8568
         delta_h -10.822 kcal
 MgCrO4
         MgCrO4 = CrO4-2 + Mg+2
-        log_k   5.3801
-        delta_h -21.26  kcal
+        log_k 5.3801
+        delta_h -21.26 kcal
 (NH4)2CrO4
-        (NH4)2CrO4 = CrO4-2 + 2NH4+
-        log_k   0.4046
-        delta_h 2.19    kcal
+        (NH4)2CrO4 = CrO4-2 + 2 NH4+
+        log_k 0.4046
+        delta_h 2.19 kcal
 Na2CrO4
-        Na2CrO4 = CrO4-2 + 2Na+
-        log_k   3.2618
-        delta_h -4.61   kcal
+        Na2CrO4 = CrO4-2 + 2 Na+
+        log_k 3.2618
+        delta_h -4.61 kcal
 Na2Cr2O7
-        Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
-        log_k   -9.8953
-        delta_h 5.305   kcal
+        Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+
+        log_k -9.8953
+        delta_h 5.305 kcal
 PbCrO4
         PbCrO4 = CrO4-2 + Pb+2
-        log_k   -13.6848
-        delta_h 10.23   kcal
+        log_k -13.6848
+        delta_h 10.23 kcal
 Rb2CrO4
-        Rb2CrO4 = CrO4-2 + 2Rb+
-        log_k   -0.0968
-        delta_h 5.892   kcal
+        Rb2CrO4 = CrO4-2 + 2 Rb+
+        log_k -0.0968
+        delta_h 5.892 kcal
 SrCrO4
         SrCrO4 = CrO4-2 + Sr+2
-        log_k   -4.8443
-        delta_h -2.42   kcal
+        log_k -4.8443
+        delta_h -2.42 kcal
 CrO3
-        CrO3 + H2O = CrO4-2 + 2H+
-        log_k   -3.2105
-        delta_h -1.245  kcal
+        CrO3 + H2O = CrO4-2 + 2 H+
+        log_k -3.2105
+        delta_h -1.245 kcal
 CaCrO4
         CaCrO4 = Ca+2 + CrO4-2
-        log_k   -2.2657
-        delta_h -6.44   kcal
+        log_k -2.2657
+        delta_h -6.44 kcal
 Hg2CrO4
         Hg2CrO4 = Hg2+2 + CrO4-2
-        log_k   -8.7031
-        delta_h -0      kcal
+        log_k -8.7031
+        delta_h -0 kcal
 Tl2CrO4
-        Tl2CrO4 = 2Tl+ + CrO4-2
-        log_k   -12.0136
-        delta_h 25.31   kcal
+        Tl2CrO4 = 2 Tl+ + CrO4-2
+        log_k -12.0136
+        delta_h 25.31 kcal
 Ag4FeCyanide6:H2O
-        Ag4FeCyanide6:H2O = 6Cyanide- + 4Ag+ + Fe+2 + H2O
-        log_k   -89.6909
-        delta_h -0      kcal
+        Ag4FeCyanide6:H2O = 6 Cyanide- + 4 Ag+ + Fe+2 + H2O
+        log_k -89.6909
+        delta_h -0 kcal
 AgCyanide
         AgCyanide = Cyanide- + Ag+
-        log_k   -16.218
-        delta_h 26.385  kcal
+        log_k -16.218
+        delta_h 26.385 kcal
 Cd2FeCyanide6:7H2O
-        Cd2FeCyanide6:7H2O = 6Cyanide- + 2Cd+2 + Fe+2 + 7H2O
-        log_k   -62.9824
-        delta_h -0      kcal
+        Cd2FeCyanide6:7H2O = 6 Cyanide- + 2 Cd+2 + Fe+2 + 7 H2O
+        log_k -62.9824
+        delta_h -0 kcal
 CrCyanide
         CrCyanide = Cyanide- + Cr+2 + e-
-        log_k   23.888
-        delta_h -0      kcal
+        log_k 23.888
+        delta_h -0 kcal
 Cr2Cyanide
-        Cr2Cyanide = Cyanide- + 2Cr+2 + 3e-
-        log_k   56.645
-        delta_h -0      kcal
+        Cr2Cyanide = Cyanide- + 2 Cr+2 + 3 e-
+        log_k 56.645
+        delta_h -0 kcal
 CuCyanide
         CuCyanide = Cyanide- + Cu+
-        log_k   -19.4974
-        delta_h 30.2    kcal
+        log_k -19.4974
+        delta_h 30.2 kcal
 Cu2FeCyanide6
-        Cu2FeCyanide6 = 6Cyanide- + 2Cu+2 + Fe+2
-        log_k   -61.4168
-        delta_h -0      kcal
+        Cu2FeCyanide6 = 6 Cyanide- + 2 Cu+2 + Fe+2
+        log_k -61.4168
+        delta_h -0 kcal
 CyanideI
-        CyanideI + 2e- = Cyanide- + I-
-        log_k   11.3114
+        CyanideI + 2 e- = Cyanide- + I-
+        log_k 11.3114
         delta_h -17.309 kcal
 K12Ni8(FeCyanide6)7
-        K12Ni8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Ni+2 + 7Fe+2
-        log_k   -431.09
-        delta_h -0      kcal
+        K12Ni8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Ni+2 + 7 Fe+2
+        log_k -431.09
+        delta_h -0 kcal
 KCyanide(I)
         KCyanide = Cyanide- + K+
-        log_k   1.4403
-        delta_h 2.74    kcal
+        log_k 1.4403
+        delta_h 2.74 kcal
 K2CdFeCyanide6
-        K2CdFeCyanide6 = 6Cyanide- + 2K+ + Cd+2 + Fe+2
-        log_k   -63.0279
-        delta_h -0      kcal
+        K2CdFeCyanide6 = 6 Cyanide- + 2 K+ + Cd+2 + Fe+2
+        log_k -63.0279
+        delta_h -0 kcal
 K4Ni4(FeCyanide6)3
-        K4Ni4(FeCyanide6)3 = 18Cyanide- + 4K+ + 4Ni+2 + 3Fe+2
-        log_k   -183.547
-        delta_h -0      kcal
+        K4Ni4(FeCyanide6)3 = 18 Cyanide- + 4 K+ + 4 Ni+2 + 3 Fe+2
+        log_k -183.547
+        delta_h -0 kcal
 K4FeCyanide6
-        K4FeCyanide6 = 6Cyanide- + 4K+ + Fe+2
-        log_k   -48.8241
-        delta_h 95.62   kcal
+        K4FeCyanide6 = 6 Cyanide- + 4 K+ + Fe+2
+        log_k -48.8241
+        delta_h 95.62 kcal
 K2Mn3(FeCyanide6)2
-        K2Mn3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Mn+2 + 2Fe+2
-        log_k   -121.001
-        delta_h -0      kcal
+        K2Mn3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Mn+2 + 2 Fe+2
+        log_k -121.001
+        delta_h -0 kcal
 K2Ni3(FeCyanide6)2
-        K2Ni3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Ni+2 + 2Fe+2
-        log_k   -123.127
-        delta_h -0      kcal
+        K2Ni3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Ni+2 + 2 Fe+2
+        log_k -123.127
+        delta_h -0 kcal
 K4FeCyanide6:3H2O
-        K4FeCyanide6:3H2O = 6Cyanide- + 4K+ + Fe+2 + 3H2O
-        log_k   -49.5424
-        delta_h 99.175  kcal
+        K4FeCyanide6:3H2O = 6 Cyanide- + 4 K+ + Fe+2 + 3 H2O
+        log_k -49.5424
+        delta_h 99.175 kcal
 K12Cd8(FeCyanide6)7
-        K12Cd8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Cd+2 + 7Fe+2
-        log_k   -441.985
-        delta_h -0      kcal
+        K12Cd8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Cd+2 + 7 Fe+2
+        log_k -441.985
+        delta_h -0 kcal
 KZn1.5FeCyanide6
-        KZn1.5FeCyanide6 = 6Cyanide- + K+ + 1.5Zn+2 + Fe+2
-        log_k   -66.8086
-        delta_h -0      kcal
+        KZn1.5FeCyanide6 = 6 Cyanide- + K+ + 1.5 Zn+2 + Fe+2
+        log_k -66.8086
+        delta_h -0 kcal
 K3FeCyanide6
-        K3FeCyanide6 = 6Cyanide- + 3K+ + Fe+3
-        log_k   -54.644
-        delta_h 83.29   kcal
+        K3FeCyanide6 = 6 Cyanide- + 3 K+ + Fe+3
+        log_k -54.644
+        delta_h 83.29 kcal
 K8Mn6(FeCyanide6)5
-        K8Mn6(FeCyanide6)5 = 30Cyanide- + 8K+ + 6Mn+2 + 5Fe+2
-        log_k   -293.685
-        delta_h -0      kcal
+        K8Mn6(FeCyanide6)5 = 30 Cyanide- + 8 K+ + 6 Mn+2 + 5 Fe+2
+        log_k -293.685
+        delta_h -0 kcal
 K2Cu2FeCyanide6
-        K2Cu2FeCyanide6 = 6Cyanide- + 2K+ + 2Cu+ + Fe+2
-        log_k   -72.5142
-        delta_h -0      kcal
+        K2Cu2FeCyanide6 = 6 Cyanide- + 2 K+ + 2 Cu+ + Fe+2
+        log_k -72.5142
+        delta_h -0 kcal
 Mn2FeCyanide6
-        Mn2FeCyanide6 = 6Cyanide- + 2Mn+2 + Fe+2
-        log_k   -59.0272
-        delta_h -0      kcal
+        Mn2FeCyanide6 = 6 Cyanide- + 2 Mn+2 + Fe+2
+        log_k -59.0272
+        delta_h -0 kcal
 NaCyanide
         NaCyanide = Cyanide- + Na+
-        log_k   2.2869
-        delta_h -0.52   kcal
+        log_k 2.2869
+        delta_h -0.52 kcal
 Pb2FeCyanide6:3H2O
-        Pb2FeCyanide6:3H2O = 6Cyanide- + 2Pb+2 + Fe+2 + 3H2O
-        log_k   -63.6011
-        delta_h -0      kcal
+        Pb2FeCyanide6:3H2O = 6 Cyanide- + 2 Pb+2 + Fe+2 + 3 H2O
+        log_k -63.6011
+        delta_h -0 kcal
 Tl4FeCyanide6:2H2O
-        Tl4FeCyanide6:2H2O = 6Cyanide- + 4Tl+ + Fe+2 + 2H2O
-        log_k   -56.9162
-        delta_h -0      kcal
+        Tl4FeCyanide6:2H2O = 6 Cyanide- + 4 Tl+ + Fe+2 + 2 H2O
+        log_k -56.9162
+        delta_h -0 kcal
 Zn2FeCyanide6:2H2O
-        Zn2FeCyanide6:2H2O = 6Cyanide- + 2Zn+2 + Fe+2 + 2H2O
-        log_k   -61.2321
-        delta_h -0      kcal
+        Zn2FeCyanide6:2H2O = 6 Cyanide- + 2 Zn+2 + Fe+2 + 2 H2O
+        log_k -61.2321
+        delta_h -0 kcal
 AgCyanate
         AgCyanate = Cyanate- + Ag+
-        log_k   -6.6159
-        delta_h 13.175  kcal
+        log_k -6.6159
+        delta_h 13.175 kcal
 Ag4Fe(Cyanide)6
-        Ag4Fe(Cyanide)6 = 6Cyanide- + 4Ag+ + Fe+2
-        log_k   -193.914
-        delta_h 260.91  kcal
+        Ag4Fe(Cyanide)6 = 6 Cyanide- + 4 Ag+ + Fe+2
+        log_k -193.914
+        delta_h 260.91 kcal
 Cd2Fe(Cyanide)6
-        Cd2Fe(Cyanide)6 = 6Cyanide- + 2Cd+2 + Fe+2
-        log_k   -28.2243
-        delta_h -0      kcal
+        Cd2Fe(Cyanide)6 = 6 Cyanide- + 2 Cd+2 + Fe+2
+        log_k -28.2243
+        delta_h -0 kcal
 Hg(Cyanide)2
-        Hg(Cyanide)2 + 2H2O = Hg(OH)2 + 2Cyanide- + 2H+
-        log_k   -45.3791
-        delta_h 60.73   kcal
+        Hg(Cyanide)2 + 2 H2O = Hg(OH)2 + 2 Cyanide- + 2 H+
+        log_k -45.3791
+        delta_h 60.73 kcal
 Pb2Fe(Cyanide)6
-        Pb2Fe(Cyanide)6 = 6Cyanide- + 2Pb+2 + Fe+2
-        log_k   -27.5895
-        delta_h -0      kcal
+        Pb2Fe(Cyanide)6 = 6 Cyanide- + 2 Pb+2 + Fe+2
+        log_k -27.5895
+        delta_h -0 kcal
 Zn2Fe(Cyanide)6
-        Zn2Fe(Cyanide)6 = 6Cyanide- + 2Zn+2 + Fe+2
-        log_k   -29.9263
-        delta_h -0      kcal
+        Zn2Fe(Cyanide)6 = 6 Cyanide- + 2 Zn+2 + Fe+2
+        log_k -29.9263
+        delta_h -0 kcal
 CH4(g)
-        CH4 + 3H2O = CO3-2 + 8e- + 10H+
-        log_k   -40.1
-        delta_h 61      kcal
+        CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+
+        log_k -40.1
+        delta_h 61 kcal
 CO2(g)
-        CO2 + H2O = CO3-2 + 2H+
-        log_k   -18.16
-        delta_h 0.53    kcal
+        CO2 + H2O = CO3-2 + 2 H+
+        log_k -18.16
+        delta_h 0.53 kcal
 O2(g)
-        O2 + 4H+ + 4e- = 2H2O
-        log_k   83.12
+        O2 + 4 H+ + 4 e- = 2 H2O
+        log_k 83.12
         delta_h -133.83 kcal
 Hg(g)
-        Hg = 0.5Hg2+2 + e-
-        log_k   -7.8708
-        delta_h 5.265   kcal
+        Hg = 0.5 Hg2+2 + e-
+        log_k -7.8708
+        delta_h 5.265 kcal
 Hg2(g)
-        Hg2 = Hg2+2 + 2e-
-        log_k   -14.963
-        delta_h 13.87   kcal
+        Hg2 = Hg2+2 + 2 e-
+        log_k -14.963
+        delta_h 13.87 kcal
 Hg(CH3)2(g)
-        Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
-        log_k   -73.724
-        delta_h 115.4   kcal
+        Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+
+        log_k -73.724
+        delta_h 115.4 kcal
 HgBr(g)
-        HgBr = 0.5Hg2+2 + Br-
-        log_k   16.79
+        HgBr = 0.5 Hg2+2 + Br-
+        log_k 16.79
         delta_h -34.004 kcal
 HgCl(g)
-        HgCl = 0.5Hg2+2 + Cl-
-        log_k   20.5
+        HgCl = 0.5 Hg2+2 + Cl-
+        log_k 20.5
         delta_h -40.098 kcal
 HgF(g)
-        HgF = 0.5Hg2+2 + F-
-        log_k   32.72
+        HgF = 0.5 Hg2+2 + F-
+        log_k 32.72
         delta_h -60.916 kcal
 HgI(g)
-        HgI = 0.5Hg2+2 + I-
-        log_k   11.15
+        HgI = 0.5 Hg2+2 + I-
+        log_k 11.15
         delta_h -25.264 kcal
 HgBr2(g)
-        HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-        log_k   -18.47
-        delta_h 14.35   kcal
+        HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
+        log_k -18.47
+        delta_h 14.35 kcal
 HgF2(g)
-        HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
-        log_k   0.38
-        delta_h -0      kcal
+        HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+
+        log_k 0.38
+        delta_h -0 kcal
 HgI2(g)
-        HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
-        log_k   -27.28
-        delta_h 28.63   kcal
+        HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+
+        log_k -27.28
+        delta_h 28.63 kcal
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 SURFACE_SPECIES
-Hfo_wOH = Hfo_wOH 
-        log_k 0.0
-Hfo_sOH = Hfo_sOH 
-        log_k 0.0
-Hfo_wOH = Hfo_wO- + H+ 
-        log_k   -8.93
-Hfo_wOH + H+  = Hfo_wOH2+
-        log_k   7.29
-Hfo_sOH = Hfo_sO- + H+ 
-        log_k   -8.93
-Hfo_sOH + H+  = Hfo_sOH2+
-        log_k   7.29
-Hfo_wOH  + Zn+2 = Hfo_wOZn+ + H+
-        log_k   -1.99
-Hfo_sOH  + Zn+2 = Hfo_sOZn+ + H+
-        log_k   0.97
-Hfo_wOH  + Cd+2 = Hfo_wOCd+ + H+
-        log_k   -2.9
-Hfo_sOH  + Cd+2 = Hfo_sOCd+ + H+
-        log_k   0.43
-Hfo_sOH  + Cu+2 = Hfo_sOCu+ + H+
-        log_k   2.85
-Hfo_wOH  + Cu+2 = Hfo_wOCu+ + H+
-        log_k   0.6
-Hfo_sOH  + Be+2 = Hfo_sOBe+ + H+
-        log_k   1.898
-Hfo_wOH  + Be+2 = Hfo_wOBe+ + H+
-        log_k   -0.8626
-Hfo_sOH  + Ni+2 = Hfo_sONi+ + H+
-        log_k   0.15
-Hfo_wOH  + Ni+2 = Hfo_wONi+ + H+
-        log_k   -2.5
-Hfo_sOH  + Pb+2 = Hfo_sOPb+ + H+
-        log_k   4.71
-Hfo_wOH  + Pb+2 = Hfo_wOPb+ + H+
-        log_k   0.3
-Hfo_wOH  + Ca+2 = Hfo_wOCa+ + H+
-        log_k   -5.85
+Hfo_wOH = Hfo_wOH
+        log_k 0
+Hfo_sOH = Hfo_sOH
+        log_k 0
+Hfo_wOH = Hfo_wO- + H+
+        log_k -8.93
+Hfo_wOH + H+ = Hfo_wOH2+
+        log_k 7.29
+Hfo_sOH = Hfo_sO- + H+
+        log_k -8.93
+Hfo_sOH + H+ = Hfo_sOH2+
+        log_k 7.29
+Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
+        log_k -1.99
+Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
+        log_k 0.97
+Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
+        log_k -2.9
+Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
+        log_k 0.43
+Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
+        log_k 2.85
+Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
+        log_k 0.6
+Hfo_sOH + Be+2 = Hfo_sOBe+ + H+
+        log_k 1.898
+Hfo_wOH + Be+2 = Hfo_wOBe+ + H+
+        log_k -0.8626
+Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
+        log_k 0.15
+Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
+        log_k -2.5
+Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
+        log_k 4.71
+Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
+        log_k 0.3
+Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
+        log_k -5.85
 Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k   4.97
+        log_k 4.97
 Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-        log_k   5.46
+        log_k 5.46
 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-        log_k   -7.2
-Hfo_sOH + H+ + SO4-2 = Hfo_sSO4-  + H2O
-        log_k   7.78
-Hfo_wOH + H+ + SO4-2 = Hfo_wSO4-  + H2O
-        log_k   7.78
+        log_k -7.2
+Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O
+        log_k 7.78
+Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O
+        log_k 7.78
 Hfo_sOH + SO4-2 = Hfo_sOHSO4-2
-        log_k   0.79
+        log_k 0.79
 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
-Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O
-        log_k   31.29
-Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-        log_k   31.29
-Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4-  + H2O
-        log_k   25.39
-Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4-  + H2O
-        log_k   25.39
+        log_k 0.79
+Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O
+        log_k 31.29
+Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+        log_k 31.29
+Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O
+        log_k 25.39
+Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+        log_k 25.39
 Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O
-        log_k   17.72
+        log_k 17.72
 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-        log_k   17.72
+        log_k 17.72
 Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O
-        log_k   5.41
+        log_k 5.41
 Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
-        log_k   5.41
+        log_k 5.41
 Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O
-        log_k   8.67
+        log_k 8.67
 Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O
-        log_k   8.67
-Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ 
-        log_k   2.99
-Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+  
-        log_k   2.99
-Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2H+ 
-        log_k   -4.7
-Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2H+ 
-        log_k   -4.7
-Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+
-        log_k   -10.15
-Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+
-        log_k   -10.15
+        log_k 8.67
+Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+
+        log_k 2.99
+Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+
+        log_k 2.99
+Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2 H+
+        log_k -4.7
+Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2 H+
+        log_k -4.7
+Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+
+        log_k -10.15
+Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+
+        log_k -10.15
 Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O
-        log_k   0.62
+        log_k 0.62
 Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-        log_k   0.62
+        log_k 0.62
 END
 
diff --git a/database/minteq.v4.dat b/database/minteq.v4.dat
index 48f51bca..3e81fd8f 100644
--- a/database/minteq.v4.dat
+++ b/database/minteq.v4.dat
@@ -1,127 +1,131 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.v4.dat, 15/03/2024  15:27, 13208 lines, 399299 bytes, md5=fa307060a8f8affd6f41cb15d2225ff6
+# Created 17 May 2024 14:30:41
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "minteq.v4.dat"
+
 #  $Id: minteq.v4.dat 11091 2016-04-21 15:20:05Z dlpark $
 SOLUTION_MASTER_SPECIES
-Alkalinity	CO3-2		2.0     HCO3    61.0173
-E		e-		0	0	0
-O		H2O		0	O	16.00
-O(-2)		H2O		0	O
-O(0)		O2		0	O
-Ag		Ag+		0.0	Ag	107.868
-Al		Al+3		0.0	Al	26.9815
-As		H3AsO4		-1.0	As	74.9216
-As(3)		H3AsO3		0.0	As
-As(5)		H3AsO4		-1.0	As
-B		H3BO3		0.0	B	10.81
-Ba		Ba+2		0.0	Ba	137.33
-Be		Be+2		0.0	Be	9.0122
-Br		Br-		0.0	Br	79.904
-C		CO3-2		2.0	CO3	12.0111
-C(4)		CO3-2		2.0	CO3	12.0111
-Cyanide		Cyanide-	1.0	Cyanide	26.0177
-Dom_a		Dom_a		0.0	C	12.0111
-Dom_b		Dom_b		0.0	C	12.0111
-Dom_c		Dom_c		0.0	C	12.0111
-Ca		Ca+2		0.0	Ca	40.078
-Cd		Cd+2		0.0	Cd	112.41
-Cl		Cl-		0.0	Cl	35.453
-Co		Co+3		-1.0	Co	58.9332
-Co(2)		Co+2		0.0	Co
-Co(3)		Co+3		-1.0	Co
-Cr		CrO4-2		1.0	Cr	51.996
-Cr(2)		Cr+2		0.0	Cr
-Cr(3)		Cr(OH)2+	0.0	Cr
-Cr(6)		CrO4-2		1.0	Cr
-Cu		Cu+2		0.0	Cu	63.546
-Cu(1)		Cu+		0.0	Cu
-Cu(2)		Cu+2		0.0	Cu
-F		F-		0.0	F	18.9984
-Fe		Fe+3		-2.0	Fe	55.847
-Fe(2)		Fe+2		0.0	Fe
-Fe(3)		Fe+3		-2.0	Fe
-H		H+		-1.0	H	1.0079
-H(0)		H2		0	H
-H(1)		H+		-1.0	H
-Hg		Hg(OH)2		0.0	Hg	200.59
-Hg(0)           Hg		0.0	Hg
-Hg(1)		Hg2+2		0.0	Hg
-Hg(2)		Hg(OH)2		0.0	Hg
-I		I-		0.0	I	126.904
-K		K+		0.0	K	39.0983
-Li		Li+		0.0	Li	6.941
-Mg		Mg+2		0.0	Mg	24.305
-Mn		Mn+3		0.0	Mn	54.938
-Mn(2)		Mn+2		0.0	Mn
-Mn(3)		Mn+3		0.0	Mn
-Mn(6)		MnO4-2		0.0	Mn
-Mn(7)		MnO4-		0.0	Mn
-Mo		MoO4-2		0.0	Mo	95.94
-N		NO3-		0.0	N	14.0067
-N(-3)		NH4+		0.0	N
-N(3)		NO2-		0.0	N
-N(5)		NO3-		0.0	N
-Na		Na+		0.0	Na	22.9898
-Ni		Ni+2		0.0	Ni	58.69
-P		PO4-3		2.0	P	30.9738
-Pb		Pb+2		0.0	Pb	207.2
-S		SO4-2		0.0	SO4	32.066
-S(-2)		HS-		1.0	S
+Alkalinity CO3-2 2 HCO3 61.0173
+E e- 1 0 0
+O H2O 0 O 16
+O(-2) H2O 0 O
+O(0) O2 0 O
+Ag Ag+ 0 Ag 107.868
+Al Al+3 0 Al 26.9815
+As H3AsO4 -1 As 74.9216
+As(3) H3AsO3 0 As
+As(5) H3AsO4 -1 As
+B H3BO3 0 B 10.81
+Ba Ba+2 0 Ba 137.33
+Be Be+2 0 Be 9.0122
+Br Br- 0 Br 79.904
+C CO3-2 2 CO3 12.0111
+C(4) CO3-2 2 CO3 12.0111
+Cyanide Cyanide- 1 Cyanide 26.0177
+Dom_a Dom_a 0 C 12.0111
+Dom_b Dom_b 0 C 12.0111
+Dom_c Dom_c 0 C 12.0111
+Ca Ca+2 0 Ca 40.078
+Cd Cd+2 0 Cd 112.41
+Cl Cl- 0 Cl 35.453
+Co Co+3 -1 Co 58.9332
+Co(2) Co+2 0 Co
+Co(3) Co+3 -1 Co
+Cr CrO4-2 1 Cr 51.996
+Cr(2) Cr+2 0 Cr
+Cr(3) Cr(OH)2+ 0 Cr
+Cr(6) CrO4-2 1 Cr
+Cu Cu+2 0 Cu 63.546
+Cu(1) Cu+ 0 Cu
+Cu(2) Cu+2 0 Cu
+F F- 0 F 18.9984
+Fe Fe+3 -2 Fe 55.847
+Fe(2) Fe+2 0 Fe
+Fe(3) Fe+3 -2 Fe
+H H+ -1 H 1.0079
+H(0) H2 0 H
+H(1) H+ -1 H
+Hg Hg(OH)2 0 Hg 200.59
+Hg(0) Hg 0 Hg
+Hg(1) Hg2+2 0 Hg
+Hg(2) Hg(OH)2 0 Hg
+I I- 0 I 126.904
+K K+ 0 K 39.0983
+Li Li+ 0 Li 6.941
+Mg Mg+2 0 Mg 24.305
+Mn Mn+3 0 Mn 54.938
+Mn(2) Mn+2 0 Mn
+Mn(3) Mn+3 0 Mn
+Mn(6) MnO4-2 0 Mn
+Mn(7) MnO4- 0 Mn
+Mo MoO4-2 0 Mo 95.94
+N NO3- 0 N 14.0067
+N(-3) NH4+ 0 N
+N(3) NO2- 0 N
+N(5) NO3- 0 N
+Na Na+ 0 Na 22.9898
+Ni Ni+2 0 Ni 58.69
+P PO4-3 2 P 30.9738
+Pb Pb+2 0 Pb 207.2
+S SO4-2 0 SO4 32.066
+S(-2) HS- 1 S
 #S(0)		S		0.0	S
-S(6)		SO4-2		0.0	SO4
-Sb		Sb(OH)6-	0.0	Sb	121.75
-Sb(3)		Sb(OH)3		0.0	Sb
-Sb(5)		Sb(OH)6-	0.0	Sb
-Se		SeO4-2		0.0	Se	78.96
-Se(-2)		HSe-		0.0	Se
-Se(4)		HSeO3-		0.0	Se
-Se(6)		SeO4-2		0.0	Se
-Si		H4SiO4		0.0	SiO2	28.0843
-Sn		Sn(OH)6-2	0.0	Sn	118.71
-Sn(2)		Sn(OH)2		0.0	Sn
-Sn(4)		Sn(OH)6-2	0.0	Sn
-Sr		Sr+2		0.0	Sr	87.62
-Tl		Tl(OH)3		0.0	Tl	204.383
-Tl(1)		Tl+		0.0	Tl
-Tl(3)		Tl(OH)3		0.0	Tl
-U		UO2+2		0.0	U	238.029
-U(3)		U+3		0.0	U
-U(4)		U+4		-4.0	U
-U(5)		UO2+		0.0	U
-U(6)		UO2+2		0.0	U
-V		VO2+		-2.0	V	50.94
-V(2)		V+2		0.0	V
-V(3)		V+3		-3.0	V
-V(4)		VO+2		0.0	V
-V(5)		VO2+		-2.0	V
-Zn		Zn+2		0.0	Zn	65.39
-Benzoate	Benzoate-	0.0	121.116	121.116
-Phenylacetate	Phenylacetate-	0.0	135.142	135.142
-Isophthalate	Isophthalate-2	0.0	164.117	164.117
-Diethylamine	Diethylamine	1.0	73.138	73.138
-Butylamine	Butylamine	1.0	73.138	73.138
-Methylamine	Methylamine	1.0	31.057	31.057
-Dimethylamine	Dimethylamine	1.0	45.084	45.084
-Hexylamine	Hexylamine	1.0	101.192	101.192
-Ethylenediamine	Ethylenediamine	2.0	60.099	60.099
-Propylamine	Propylamine	1.0	59.111	59.111
-Isopropylamine	Isopropylamine	1.0	59.111	59.111
-Trimethylamine	Trimethylamine	1.0	59.111	59.111
-Citrate		Citrate-3	2.0	189.102	189.102
-Nta		Nta-3		1.0	188.117	188.117
-Edta		Edta-4		2.0	288.214	288.214
-Propionate	Propionate-	1.0	73.072	73.072
-Butyrate	Butyrate-	1.0	87.098	87.098
-Isobutyrate	Isobutyrate-	1.0	87.098	87.098
-Two_picoline	Two_picoline	1.0	93.128	93.128
-Three_picoline	Three_picoline	1.0	93.128	93.128
-Four_picoline	Four_picoline	1.0	93.128	93.128
-Formate		Formate-	0.0	45.018	45.018
-Isovalerate	Isovalerate-	1.0	101.125	101.125
-Valerate	Valerate-	1.0	101.125	101.125
-Acetate		Acetate-	1.0	59.045	59.045
-Tartarate	Tartarate-2	0.0	148.072	148.072
-Glycine		Glycine-	1.0	74.059	74.059
-Salicylate	Salicylate-2	1.0	136.107	136.107
-Glutamate	Glutamate-2	1.0	145.115	145.115
-Phthalate	Phthalate-2	1.0	164.117	164.117
+S(6) SO4-2 0 SO4
+Sb Sb(OH)6- 0 Sb 121.75
+Sb(3) Sb(OH)3 0 Sb
+Sb(5) Sb(OH)6- 0 Sb
+Se SeO4-2 0 Se 78.96
+Se(-2) HSe- 0 Se
+Se(4) HSeO3- 0 Se
+Se(6) SeO4-2 0 Se
+Si H4SiO4 0 SiO2 28.0843
+Sn Sn(OH)6-2 0 Sn 118.71
+Sn(2) Sn(OH)2 0 Sn
+Sn(4) Sn(OH)6-2 0 Sn
+Sr Sr+2 0 Sr 87.62
+Tl Tl(OH)3 0 Tl 204.383
+Tl(1) Tl+ 0 Tl
+Tl(3) Tl(OH)3 0 Tl
+U UO2+2 0 U 238.029
+U(3) U+3 0 U
+U(4) U+4 -4 U
+U(5) UO2+ 0 U
+U(6) UO2+2 0 U
+V VO2+ -2 V 50.94
+V(2) V+2 0 V
+V(3) V+3 -3 V
+V(4) VO+2 0 V
+V(5) VO2+ -2 V
+Zn Zn+2 0 Zn 65.39
+Benzoate Benzoate- 0 121.116 121.116
+Phenylacetate Phenylacetate- 0 135.142 135.142
+Isophthalate Isophthalate-2 0 164.117 164.117
+Diethylamine Diethylamine 1 73.138 73.138
+Butylamine Butylamine 1 73.138 73.138
+Methylamine Methylamine 1 31.057 31.057
+Dimethylamine Dimethylamine 1 45.084 45.084
+Hexylamine Hexylamine 1 101.192 101.192
+Ethylenediamine Ethylenediamine 2 60.099 60.099
+Propylamine Propylamine 1 59.111 59.111
+Isopropylamine Isopropylamine 1 59.111 59.111
+Trimethylamine Trimethylamine 1 59.111 59.111
+Citrate Citrate-3 2 189.102 189.102
+Nta Nta-3 1 188.117 188.117
+Edta Edta-4 2 288.214 288.214
+Propionate Propionate- 1 73.072 73.072
+Butyrate Butyrate- 1 87.098 87.098
+Isobutyrate Isobutyrate- 1 87.098 87.098
+Two_picoline Two_picoline 1 93.128 93.128
+Three_picoline Three_picoline 1 93.128 93.128
+Four_picoline Four_picoline 1 93.128 93.128
+Formate Formate- 0 45.018 45.018
+Isovalerate Isovalerate- 1 101.125 101.125
+Valerate Valerate- 1 101.125 101.125
+Acetate Acetate- 1 59.045 59.045
+Tartarate Tartarate-2 0 148.072 148.072
+Glycine Glycine- 1 74.059 74.059
+Salicylate Salicylate-2 1 136.107 136.107
+Glutamate Glutamate-2 1 145.115 145.115
+Phthalate Phthalate-2 1 164.117 164.117
 SOLUTION_SPECIES
 e- = e-
 	log_k 0
@@ -143,7 +147,7 @@ Br- = Br-
 	log_k 0
 CO3-2 = CO3-2
 	log_k 0
-Cyanide- = Cyanide- 
+Cyanide- = Cyanide-
 	log_k 0
 Dom_a = Dom_a
 	log_k 0
@@ -275,12933 +279,12933 @@ Phthalate-2 = Phthalate-2
 	log_k 0
 SOLUTION_SPECIES
 Fe+3 + e- = Fe+2
-	log_k	13.032
-	delta_h	-42.7	kJ
-	-gamma	0	0
+	log_k 13.032
+	delta_h -42.7 kJ
+	-gamma 0 0
 		#                  Id:	2802810
-		#        log K source:	Bard85                        
-		#      Delta H source:	Bard85                        
-		#T and ionic strength:	          
-H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O
-	log_k	18.898
-	delta_h	-125.6	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	Bard85
+		#T and ionic strength:	
+H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O
+	log_k 18.898
+	delta_h -125.6 kJ
+	-gamma 0 0
 		#                  Id:	600610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O
-	log_k	24.31
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O
+	log_k 24.31
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7407410
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 3e- + 4H+ = U+3 + 2H2O
-	log_k	0.42
-	delta_h	-42	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O
+	log_k 0.42
+	delta_h -42 kJ
+	-gamma 0 0
 		#                  Id:	8908930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 2e- + 4H+ = U+4 + 2H2O
-	log_k	9.216
-	delta_h	-144.1	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O
+	log_k 9.216
+	delta_h -144.1 kJ
+	-gamma 0 0
 		#                  Id:	8918930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 UO2+2 + e- = UO2+
-	log_k	2.785
-	delta_h	-13.8	kJ
-	-gamma	0	0
+	log_k 2.785
+	delta_h -13.8 kJ
+	-gamma 0 0
 		#                  Id:	8928930
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 e- + Mn+3 = Mn+2
-	log_k	25.35
-	delta_h	-107.8	kJ
-	-gamma	0	0
+	log_k 25.35
+	delta_h -107.8 kJ
+	-gamma 0 0
 		#                  Id:	4704710
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Co+3 + e- = Co+2
-	log_k	32.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 32.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2002010
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cu+2 + e- = Cu+
-	log_k	2.69
-	delta_h	6.9	kJ
-	-gamma	0	0
+	log_k 2.69
+	delta_h 6.9 kJ
+	-gamma 0 0
 		#                  Id:	2302310
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 V+3 + e- = V+2
-	log_k	-4.31
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -4.31
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9009010
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-VO+2 + e- + 2H+ = V+3 + H2O
-	log_k	5.696
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+VO+2 + e- + 2 H+ = V+3 + H2O
+	log_k 5.696
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9019020
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-VO2+ + e- + 2H+ = VO+2 + H2O
-	log_k	16.903
-	delta_h	-122.7	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+VO2+ + e- + 2 H+ = VO+2 + H2O
+	log_k 16.903
+	delta_h -122.7 kJ
+	-gamma 0 0
 		#                  Id:	9029030
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-SO4-2 + 9H+ + 8e- = HS- + 4H2O
-	log_k	33.66
-	delta_h	-60.14	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
+	log_k 33.66
+	delta_h -60.14 kJ
+	-gamma 0 0
 		#                  Id:	7307320
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O
-	log_k	19.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Sn(OH)6-2 + 2 e- + 4 H+ = Sn(OH)2 + 4 H2O
+	log_k 19.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7907910
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O
-	log_k	45.55
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O
+	log_k 45.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8708710
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-HSeO3- + 6e- + 6H+ = HSe- + 3H2O
-	log_k	44.86
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O
+	log_k 44.86
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7607610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-SeO4-2 + 2e- + 3H+ = HSeO3- + H2O
-	log_k	36.308
-	delta_h	-201.2	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O
+	log_k 36.308
+	delta_h -201.2 kJ
+	-gamma 0 0
 		#                  Id:	7617620
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-0.5Hg2+2 + e- = Hg
-	log_k	6.5667
-	delta_h	-45.735	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+0.5 Hg2+2 + e- = Hg
+	log_k 6.5667
+	delta_h -45.735 kJ
+	-gamma 0 0
 		#                  Id:	3600000
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 
-2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O
-	log_k	43.185
-	delta_h	-63.59	kJ
-	-gamma	0	0
+2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O
+	log_k 43.185
+	delta_h -63.59 kJ
+	-gamma 0 0
 		#                  Id:	3603610
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O
-	log_k	2.947
-	delta_h	6.36	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O
+	log_k 2.947
+	delta_h 6.36 kJ
+	-gamma 0 0
 		#                  Id:	2102110
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O
-	log_k	67.376
-	delta_h	-103	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O
+	log_k 67.376
+	delta_h -103 kJ
+	-gamma 0 0
 		#                  Id:	2112120
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 
-2H2O =  O2 + 4H+ + 4e-  
+2 H2O = O2 + 4 H+ + 4 e-
 #   Adjusted for equation to aqueous species	
- 	log_k      -85.9951
-        -analytic   38.0229    7.99407E-03   -2.7655e+004  -1.4506e+001  199838.45
+ 	log_k -85.9951
+        -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45
 
 2 H+ + 2 e- = H2
-        log_k           -3.15
+        log_k -3.15
         delta_h -1.759 kcal
 
 NO3- + 2 H+ + 2 e- = NO2- + H2O
-        log_k           28.570
-        delta_h -43.760 kcal
-        -gamma    3.0000    0.0000
+        log_k 28.57
+        delta_h -43.76 kcal
+        -gamma 3 0
 
 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
-        log_k           119.077
-        delta_h -187.055        kcal
-        -gamma    2.5000    0.0000
+        log_k 119.077
+        delta_h -187.055 kcal
+        -gamma 2.5 0
 
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
-	log_k	-127.794
-	delta_h	822.67	kJ
-	-gamma	3	0
+Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+	log_k -127.794
+	delta_h 822.67 kJ
+	-gamma 3 0
 		#                  Id:	4700020
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
-	log_k	-118.422
-	delta_h	711.07	kJ
-	-gamma	5	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+	log_k -118.422
+	delta_h 711.07 kJ
+	-gamma 5 0
 		#                  Id:	4700021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 HS- = S-2 + H+
-	log_k	-17.3
-	delta_h	49.4	kJ
-	-gamma	5	0
+	log_k -17.3
+	delta_h 49.4 kJ
+	-gamma 5 0
 		#                  Id:	3307301
-		#        log K source:	LMa1987                       
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	LMa1987
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.00 25.0
 HSe- = Se-2 + H+
-	log_k	-15
-	delta_h	48.116	kJ
-	-gamma	0	0
+	log_k -15
+	delta_h 48.116 kJ
+	-gamma 0 0
 		#                  Id:	3307601
-		#        log K source:	SCD3.02 (1968 DKa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1968 DKa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ = Tl+3 + 3H2O
-	log_k	3.291
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O
+	log_k 3.291
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8713300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-0.5Hg2+2 + e- = Hg
-	log_k	6.5667
-	delta_h	-45.735	kJ
-	-gamma	0	0
+0.5 Hg2+2 + e- = Hg
+	log_k 6.5667
+	delta_h -45.735 kJ
+	-gamma 0 0
 		#                  Id:	3600000
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ = Hg+2 + 2H2O
-	log_k	6.194
-	delta_h	-39.72	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O
+	log_k 6.194
+	delta_h -39.72 kJ
+	-gamma 0 0
 		#                  Id:	3613300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ = Cr+3 + 2H2O
-	log_k	9.5688
-	delta_h	-129.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O
+	log_k 9.5688
+	delta_h -129.62 kJ
+	-gamma 0 0
 		#                  Id:	2113300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.10 20.0
 H2O = OH- + H+
-	log_k	-13.997
-	delta_h	55.81	kJ
-	-gamma	3.5	0
+	log_k -13.997
+	delta_h 55.81 kJ
+	-gamma 3.5 0
 		#                  Id:	3300020
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ = Sn+2 + 2H2O
-	log_k	7.094
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O
+	log_k 7.094
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Sn(OH)2 + H+ = SnOH+ + H2O
-	log_k	3.697
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.697
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Sn(OH)2 + H2O = Sn(OH)3- + H+
-	log_k	-9.497
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.497
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O
-	log_k	9.394
-	delta_h	0	kJ
-	-gamma	0	0
+2 Sn(OH)2 + 2 H+ = Sn2(OH)2+2 + 2 H2O
+	log_k 9.394
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O
-	log_k	14.394
-	delta_h	0	kJ
-	-gamma	0	0
+3 Sn(OH)2 + 2 H+ = Sn3(OH)4+2 + 2 H2O
+	log_k 14.394
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903305
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Sn(OH)2 = HSnO2- + H+
-	log_k	-8.9347
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -8.9347
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7903306
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O
-	log_k	21.2194
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Sn(OH)6-2 + 6 H+ = Sn+4 + 6 H2O
+	log_k 21.2194
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7913301
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sn(OH)6-2 = SnO3-2 + 3H2O
-	log_k	-2.2099
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Sn(OH)6-2 = SnO3-2 + 3 H2O
+	log_k -2.2099
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7913302
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Pb+2 + H2O = PbOH+ + H+
-	log_k	-7.597
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -7.597
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2H2O = Pb(OH)2 + 2H+
-	log_k	-17.094
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+	log_k -17.094
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 3H2O = Pb(OH)3- + 3H+
-	log_k	-28.091
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+	log_k -28.091
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Pb+2 + H2O = Pb2OH+3 + H+
-	log_k	-6.397
-	delta_h	0	kJ
-	-gamma	0	0
+2 Pb+2 + H2O = Pb2OH+3 + H+
+	log_k -6.397
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+
-	log_k	-23.888
-	delta_h	115.24	kJ
-	-gamma	0	0
+3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+	log_k -23.888
+	delta_h 115.24 kJ
+	-gamma 0 0
 		#                  Id:	6003304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4H2O = Pb(OH)4-2 + 4H+
-	log_k	-39.699
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+	log_k -39.699
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003305
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+
-	log_k	-19.988
-	delta_h	88.24	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+
+	log_k -19.988
+	delta_h 88.24 kJ
+	-gamma 0 0
 		#                  Id:	6003306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 H3BO3 + F- = BF(OH)3-
-	log_k	-0.399
-	delta_h	7.7404	kJ
-	-gamma	2.5	0
+	log_k -0.399
+	delta_h 7.7404 kJ
+	-gamma 2.5 0
 		#                  Id:	902700
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3BO3 + 2F- + H+ = BF2(OH)2- + H2O
-	log_k	7.63
-	delta_h	6.8408	kJ
-	-gamma	2.5	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
+	log_k 7.63
+	delta_h 6.8408 kJ
+	-gamma 2.5 0
 		#                  Id:	902701
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O
-	log_k	13.22
-	delta_h	-20.4897	kJ
-	-gamma	2.5	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O
+	log_k 13.22
+	delta_h -20.4897 kJ
+	-gamma 2.5 0
 		#                  Id:	902702
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 Al+3 + H2O = AlOH+2 + H+
-	log_k	-4.997
-	delta_h	47.81	kJ
-	-gamma	5.4	0
+	log_k -4.997
+	delta_h 47.81 kJ
+	-gamma 5.4 0
 		#                  Id:	303300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 2H2O = Al(OH)2+ + 2H+
-	log_k	-10.094
-	delta_h	0	kJ
-	-gamma	5.4	0
+Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+	log_k -10.094
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	303301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 3H2O = Al(OH)3 + 3H+
-	log_k	-16.791
-	delta_h	0	kJ
-	-gamma	0	0
+Al+3 + 3 H2O = Al(OH)3 + 3 H+
+	log_k -16.791
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	303303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 4H2O = Al(OH)4- + 4H+
-	log_k	-22.688
-	delta_h	173.24	kJ
-	-gamma	4.5	0
+Al+3 + 4 H2O = Al(OH)4- + 4 H+
+	log_k -22.688
+	delta_h 173.24 kJ
+	-gamma 4.5 0
 		#                  Id:	303302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Tl+ + H2O = TlOH + H+
-	log_k	-13.207
-	delta_h	56.81	kJ
-	-gamma	0	0
+	log_k -13.207
+	delta_h 56.81 kJ
+	-gamma 0 0
 		#                  Id:	8703300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 2H+ = TlOH+2 + 2H2O
-	log_k	2.694
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O
+	log_k 2.694
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8713301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Tl(OH)3 + H+ = Tl(OH)2+ + H2O
-	log_k	1.897
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.897
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8713302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Tl(OH)3 + H2O = Tl(OH)4- + H+
-	log_k	-11.697
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -11.697
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8713303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + H2O = ZnOH+ + H+
-	log_k	-8.997
-	delta_h	55.81	kJ
-	-gamma	0	0
+	log_k -8.997
+	delta_h 55.81 kJ
+	-gamma 0 0
 		#                  Id:	9503300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2H2O = Zn(OH)2 + 2H+
-	log_k	-17.794
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+	log_k -17.794
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9503301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3H2O = Zn(OH)3- + 3H+
-	log_k	-28.091
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+	log_k -28.091
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9503302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 4H2O = Zn(OH)4-2 + 4H+
-	log_k	-40.488
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+	log_k -40.488
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9503303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Cd+2 + H2O = CdOH+ + H+
-	log_k	-10.097
-	delta_h	54.81	kJ
-	-gamma	0	0
+	log_k -10.097
+	delta_h 54.81 kJ
+	-gamma 0 0
 		#                  Id:	1603300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2H2O = Cd(OH)2 + 2H+
-	log_k	-20.294
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+	log_k -20.294
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1603301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3H2O = Cd(OH)3- + 3H+
-	log_k	-32.505
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+	log_k -32.505
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1603302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
-Cd+2 + 4H2O = Cd(OH)4-2 + 4H+
-	log_k	-47.288
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+	log_k -47.288
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1603303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Cd+2 + H2O = Cd2OH+3 + H+
-	log_k	-9.397
-	delta_h	45.81	kJ
-	-gamma	0	0
+2 Cd+2 + H2O = Cd2OH+3 + H+
+	log_k -9.397
+	delta_h 45.81 kJ
+	-gamma 0 0
 		#                  Id:	1603304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Hg(OH)2 + H+ = HgOH+ + H2O
-	log_k	2.797
-	delta_h	-18.91	kJ
-	-gamma	0	0
+	log_k 2.797
+	delta_h -18.91 kJ
+	-gamma 0 0
 		#                  Id:	3613302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Hg(OH)2 + H2O = Hg(OH)3- + H+
-	log_k	-14.897
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -14.897
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3613303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Cu+2 + H2O = CuOH+ + H+
-	log_k	-7.497
-	delta_h	35.81	kJ
-	-gamma	4	0
+	log_k -7.497
+	delta_h 35.81 kJ
+	-gamma 4 0
 		#                  Id:	2313300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2H2O = Cu(OH)2 + 2H+
-	log_k	-16.194
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+	log_k -16.194
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2313301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3H2O = Cu(OH)3- + 3H+
-	log_k	-26.879
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+	log_k -26.879
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2313302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Cu+2 + 4H2O = Cu(OH)4-2 + 4H+
-	log_k	-39.98
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+	log_k -39.98
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2313303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+
-	log_k	-10.594
-	delta_h	76.62	kJ
-	-gamma	0	0
+2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+	log_k -10.594
+	delta_h 76.62 kJ
+	-gamma 0 0
 		#                  Id:	2313304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ag+ + H2O = AgOH + H+
-	log_k	-11.997
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -11.997
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	203300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2H2O = Ag(OH)2- + 2H+
-	log_k	-24.004
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 2 H2O = Ag(OH)2- + 2 H+
+	log_k -24.004
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	203301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + H2O = NiOH+ + H+
-	log_k	-9.897
-	delta_h	51.81	kJ
-	-gamma	0	0
+	log_k -9.897
+	delta_h 51.81 kJ
+	-gamma 0 0
 		#                  Id:	5403300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2H2O = Ni(OH)2 + 2H+
-	log_k	-18.994
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
+	log_k -18.994
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5403301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 3H2O = Ni(OH)3- + 3H+
-	log_k	-29.991
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
+	log_k -29.991
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5403302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Co+2 + H2O = CoOH+ + H+
-	log_k	-9.697
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.697
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2H2O = Co(OH)2 + 2H+
-	log_k	-18.794
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 H2O = Co(OH)2 + 2 H+
+	log_k -18.794
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 3H2O = Co(OH)3- + 3H+
-	log_k	-31.491
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 3 H2O = Co(OH)3- + 3 H+
+	log_k -31.491
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 4H2O = Co(OH)4-2 + 4H+
-	log_k	-46.288
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 4 H2O = Co(OH)4-2 + 4 H+
+	log_k -46.288
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Co+2 + H2O = Co2OH+3 + H+
-	log_k	-10.997
-	delta_h	0	kJ
-	-gamma	0	0
+2 Co+2 + H2O = Co2OH+3 + H+
+	log_k -10.997
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-4Co+2 + 4H2O = Co4(OH)4+4 + 4H+
-	log_k	-30.488
-	delta_h	0	kJ
-	-gamma	0	0
+4 Co+2 + 4 H2O = Co4(OH)4+4 + 4 H+
+	log_k -30.488
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2003306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2H2O = CoOOH- + 3H+
-	log_k	-32.0915
-	delta_h	260.454	kJ
-	-gamma	0	0
+Co+2 + 2 H2O = CoOOH- + 3 H+
+	log_k -32.0915
+	delta_h 260.454 kJ
+	-gamma 0 0
 		#                  Id:	2003305
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Co+3 + H2O = CoOH+2 + H+
-	log_k	-1.291
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -1.291
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2013300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
 Fe+2 + H2O = FeOH+ + H+
-	log_k	-9.397
-	delta_h	55.81	kJ
-	-gamma	5	0
+	log_k -9.397
+	delta_h 55.81 kJ
+	-gamma 5 0
 		#                  Id:	2803300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+
-	log_k	-20.494
-	delta_h	119.62	kJ
-	-gamma	0	0
+Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+	log_k -20.494
+	delta_h 119.62 kJ
+	-gamma 0 0
 		#                  Id:	2803302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+
-	log_k	-28.991
-	delta_h	126.43	kJ
-	-gamma	5	0
+Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+	log_k -28.991
+	delta_h 126.43 kJ
+	-gamma 5 0
 		#                  Id:	2803301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Fe+3 + H2O = FeOH+2 + H+
-	log_k	-2.187
-	delta_h	41.81	kJ
-	-gamma	5	0
+	log_k -2.187
+	delta_h 41.81 kJ
+	-gamma 5 0
 		#                  Id:	2813300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2H2O = Fe(OH)2+ + 2H+
-	log_k	-4.594
-	delta_h	0	kJ
-	-gamma	5.4	0
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+	log_k -4.594
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	2813301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 3H2O = Fe(OH)3 + 3H+
-	log_k	-12.56
-	delta_h	103.8	kJ
-	-gamma	0	0
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+	log_k -12.56
+	delta_h 103.8 kJ
+	-gamma 0 0
 		#                  Id:	2813302
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
+		#        log K source:	Nord90
+		#      Delta H source:	Nord90
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 4H2O = Fe(OH)4- + 4H+
-	log_k	-21.588
-	delta_h	0	kJ
-	-gamma	5.4	0
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+	log_k -21.588
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	2813303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+
-	log_k	-2.854
-	delta_h	57.62	kJ
-	-gamma	0	0
+2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+	log_k -2.854
+	delta_h 57.62 kJ
+	-gamma 0 0
 		#                  Id:	2813304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+
-	log_k	-6.288
-	delta_h	65.24	kJ
-	-gamma	0	0
+3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+	log_k -6.288
+	delta_h 65.24 kJ
+	-gamma 0 0
 		#                  Id:	2813305
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + H2O = MnOH+ + H+
-	log_k	-10.597
-	delta_h	55.81	kJ
-	-gamma	5	0
+	log_k -10.597
+	delta_h 55.81 kJ
+	-gamma 5 0
 		#                  Id:	4703300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+
-	log_k	-34.8
-	delta_h	0	kJ
-	-gamma	5	0
+Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+	log_k -34.8
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4703301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Mn+2 + 4H2O = Mn(OH)4-2 + 4H+
-	log_k	-48.288
-	delta_h	0	kJ
-	-gamma	5	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Mn+2 + 4 H2O = Mn(OH)4-2 + 4 H+
+	log_k -48.288
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4703302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Mn+2 + 4H2O = MnO4- + 8H+ + 5e-
-	log_k	-127.794
-	delta_h	822.67	kJ
-	-gamma	3	0
+Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+	log_k -127.794
+	delta_h 822.67 kJ
+	-gamma 3 0
 		#                  Id:	4700020
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e-
-	log_k	-118.422
-	delta_h	711.07	kJ
-	-gamma	5	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+	log_k -118.422
+	delta_h 711.07 kJ
+	-gamma 5 0
 		#                  Id:	4700021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
-	log_k	5.9118
-	delta_h	-77.91	kJ
-	-gamma	0	0
+	log_k 5.9118
+	delta_h -77.91 kJ
+	-gamma 0 0
 		#                  Id:	2113301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Cr(OH)2+ + H2O = Cr(OH)3 + H+
-	log_k	-8.4222
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -8.4222
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2113302
-		#        log K source:	SCD3.02 (1983 RCa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1983 RCa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+
-	log_k	-17.8192
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+
+	log_k -17.8192
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2113303
-		#        log K source:	SCD3.02 (1983 RCa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1983 RCa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ = CrO2- + 2H+
-	log_k	-17.7456
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ = CrO2- + 2 H+
+	log_k -17.7456
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2113304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 V+2 + H2O = VOH+ + H+
-	log_k	-6.487
-	delta_h	59.81	kJ
-	-gamma	0	0
+	log_k -6.487
+	delta_h 59.81 kJ
+	-gamma 0 0
 		#                  Id:	9003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 V+3 + H2O = VOH+2 + H+
-	log_k	-2.297
-	delta_h	43.81	kJ
-	-gamma	0	0
+	log_k -2.297
+	delta_h 43.81 kJ
+	-gamma 0 0
 		#                  Id:	9013300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-V+3 + 2H2O = V(OH)2+ + 2H+
-	log_k	-6.274
-	delta_h	0	kJ
-	-gamma	0	0
+V+3 + 2 H2O = V(OH)2+ + 2 H+
+	log_k -6.274
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9013301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-V+3 + 3H2O = V(OH)3 + 3H+
-	log_k	-3.0843
-	delta_h	0	kJ
-	-gamma	0	0
+V+3 + 3 H2O = V(OH)3 + 3 H+
+	log_k -3.0843
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9013302
-		#        log K source:	SCD3.02 (1978 TKa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1978 TKa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
-2V+3 + 2H2O = V2(OH)2+4 + 2H+
-	log_k	-3.794
-	delta_h	0	kJ
-	-gamma	0	0
+2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+
+	log_k -3.794
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9013304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2V+3 + 3H2O = V2(OH)3+3 + 3H+
-	log_k	-10.1191
-	delta_h	0	kJ
-	-gamma	0	0
+2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+
+	log_k -10.1191
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9013303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
-VO+2 + 2H2O = V(OH)3+ + H+
-	log_k	-5.697
-	delta_h	0	kJ
-	-gamma	0	0
+VO+2 + 2 H2O = V(OH)3+ + H+
+	log_k -5.697
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9023300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2VO+2 + 2H2O = H2V2O4+2 + 2H+
-	log_k	-6.694
-	delta_h	53.62	kJ
-	-gamma	0	0
+2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+
+	log_k -6.694
+	delta_h 53.62 kJ
+	-gamma 0 0
 		#                  Id:	9023301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 U+4 + H2O = UOH+3 + H+
-	log_k	-0.597
-	delta_h	47.81	kJ
-	-gamma	0	0
+	log_k -0.597
+	delta_h 47.81 kJ
+	-gamma 0 0
 		#                  Id:	8913300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-U+4 + 2H2O = U(OH)2+2 + 2H+
-	log_k	-2.27
-	delta_h	74.1823	kJ
-	-gamma	0	0
+U+4 + 2 H2O = U(OH)2+2 + 2 H+
+	log_k -2.27
+	delta_h 74.1823 kJ
+	-gamma 0 0
 		#                  Id:	8913301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 3H2O = U(OH)3+ + 3H+
-	log_k	-4.935
-	delta_h	94.7467	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 3 H2O = U(OH)3+ + 3 H+
+	log_k -4.935
+	delta_h 94.7467 kJ
+	-gamma 0 0
 		#                  Id:	8913302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 4H2O = U(OH)4 + 4H+
-	log_k	-8.498
-	delta_h	103.596	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 4 H2O = U(OH)4 + 4 H+
+	log_k -8.498
+	delta_h 103.596 kJ
+	-gamma 0 0
 		#                  Id:	8913303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 5H2O = U(OH)5- + 5H+
-	log_k	-13.12
-	delta_h	115.374	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 5 H2O = U(OH)5- + 5 H+
+	log_k -13.12
+	delta_h 115.374 kJ
+	-gamma 0 0
 		#                  Id:	8913304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-6U+4 + 15H2O = U6(OH)15+9 + 15H+
-	log_k	-17.155
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
+	log_k -17.155
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8913305
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 UO2+2 + H2O = UO2OH+ + H+
-	log_k	-5.897
-	delta_h	47.81	kJ
-	-gamma	0	0
+	log_k -5.897
+	delta_h 47.81 kJ
+	-gamma 0 0
 		#                  Id:	8933300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+
-	log_k	-5.574
-	delta_h	41.82	kJ
-	-gamma	0	0
+2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+	log_k -5.574
+	delta_h 41.82 kJ
+	-gamma 0 0
 		#                  Id:	8933301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+
-	log_k	-15.585
-	delta_h	108.05	kJ
-	-gamma	0	0
+3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
+	log_k -15.585
+	delta_h 108.05 kJ
+	-gamma 0 0
 		#                  Id:	8933302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Be+2 + H2O = BeOH+ + H+
-	log_k	-5.397
-	delta_h	0	kJ
-	-gamma	6.5	0
+	log_k -5.397
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Be+2 + 2H2O = Be(OH)2 + 2H+
-	log_k	-13.594
-	delta_h	0	kJ
-	-gamma	6.5	0
+Be+2 + 2 H2O = Be(OH)2 + 2 H+
+	log_k -13.594
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Be+2 + 3H2O = Be(OH)3- + 3H+
-	log_k	-23.191
-	delta_h	0	kJ
-	-gamma	6.5	0
+Be+2 + 3 H2O = Be(OH)3- + 3 H+
+	log_k -23.191
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Be+2 + 4H2O = Be(OH)4-2 + 4H+
-	log_k	-37.388
-	delta_h	0	kJ
-	-gamma	6.5	0
+Be+2 + 4 H2O = Be(OH)4-2 + 4 H+
+	log_k -37.388
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103304
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2Be+2 + H2O = Be2OH+3 + H+
-	log_k	-3.177
-	delta_h	0	kJ
-	-gamma	6.5	0
+2 Be+2 + H2O = Be2OH+3 + H+
+	log_k -3.177
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103305
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-3Be+2 + 3H2O = Be3(OH)3+3 + 3H+
-	log_k	-8.8076
-	delta_h	0	kJ
-	-gamma	6.5	0
+3 Be+2 + 3 H2O = Be3(OH)3+3 + 3 H+
+	log_k -8.8076
+	delta_h 0 kJ
+	-gamma 6.5 0
 		#                  Id:	1103306
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + H2O = MgOH+ + H+
-	log_k	-11.397
-	delta_h	67.81	kJ
-	-gamma	6.5	0
+	log_k -11.397
+	delta_h 67.81 kJ
+	-gamma 6.5 0
 		#                  Id:	4603300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + H2O = CaOH+ + H+
-	log_k	-12.697
-	delta_h	64.11	kJ
-	-gamma	6	0
+	log_k -12.697
+	delta_h 64.11 kJ
+	-gamma 6 0
 		#                  Id:	1503300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + H2O = SrOH+ + H+
-	log_k	-13.177
-	delta_h	60.81	kJ
-	-gamma	5	0
+	log_k -13.177
+	delta_h 60.81 kJ
+	-gamma 5 0
 		#                  Id:	8003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + H2O = BaOH+ + H+
-	log_k	-13.357
-	delta_h	60.81	kJ
-	-gamma	5	0
+	log_k -13.357
+	delta_h 60.81 kJ
+	-gamma 5 0
 		#                  Id:	1003300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 H+ + F- = HF
-	log_k	3.17
-	delta_h	13.3	kJ
-	-gamma	0	0
+	log_k 3.17
+	delta_h 13.3 kJ
+	-gamma 0 0
 		#                  Id:	3302700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-H+ + 2F- = HF2-
-	log_k	3.75
-	delta_h	17.4	kJ
-	-gamma	3.5	0
+H+ + 2 F- = HF2-
+	log_k 3.75
+	delta_h 17.4 kJ
+	-gamma 3.5 0
 		#                  Id:	3302701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-2F- + 2H+ = H2F2
-	log_k	6.768
-	delta_h	0	kJ
-	-gamma	0	0
+2 F- + 2 H+ = H2F2
+	log_k 6.768
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3302702
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Sb(OH)3 + F- + H+ = SbOF + 2H2O
-	log_k	6.1864
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Sb(OH)3 + F- + H+ = SbOF + 2 H2O
+	log_k 6.1864
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7402700
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
 Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
-	log_k	6.1937
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.1937
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7402702
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O
-	log_k	30.18
-	delta_h	-68	kJ
-	-gamma	5	0
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
+H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+	log_k 30.18
+	delta_h -68 kJ
+	-gamma 5 0
 		#                  Id:	7702700
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
+		#        log K source:	Nord90
+		#      Delta H source:	Nord90
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O
-	log_k	11.582
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + F- = SnF+ + 2 H2O
+	log_k 11.582
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7902701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O
-	log_k	14.386
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 2 F- = SnF2 + 2 H2O
+	log_k 14.386
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7902702
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O
-	log_k	17.206
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 3 F- = SnF3- + 2 H2O
+	log_k 17.206
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7902703
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O
-	log_k	33.5844
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)6-2 + 6 H+ + 6 F- = SnF6-2 + 6 H2O
+	log_k 33.5844
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7912701
-		#        log K source:	Bard85                        
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	Bard85
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Pb+2 + F- = PbF+
-	log_k	1.848
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.848
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6002700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Pb+2 + 2F- = PbF2
-	log_k	3.142
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 F- = PbF2
+	log_k 3.142
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6002701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Pb+2 + 3F- = PbF3-
-	log_k	3.42
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 3 F- = PbF3-
+	log_k 3.42
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6002702
-		#        log K source:	SCD3.02 (1956 TKa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1956 TKa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4F- = PbF4-2
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 4 F- = PbF4-2
+	log_k 3.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6002703
-		#        log K source:	SCD3.02 (1956 TKa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1956 TKa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-H3BO3 + 3H+ + 4F- = BF4- + 3H2O
-	log_k	19.912
-	delta_h	-18.67	kJ
-	-gamma	2.5	0
+H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+	log_k 19.912
+	delta_h -18.67 kJ
+	-gamma 2.5 0
 		#                  Id:	902703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 1.00 25.0
 Al+3 + F- = AlF+2
-	log_k	7
-	delta_h	4.6	kJ
-	-gamma	5.4	0
+	log_k 7
+	delta_h 4.6 kJ
+	-gamma 5.4 0
 		#                  Id:	302700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 2F- = AlF2+
-	log_k	12.6
-	delta_h	8.3	kJ
-	-gamma	5.4	0
+Al+3 + 2 F- = AlF2+
+	log_k 12.6
+	delta_h 8.3 kJ
+	-gamma 5.4 0
 		#                  Id:	302701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 3F- = AlF3
-	log_k	16.7
-	delta_h	8.7	kJ
-	-gamma	0	0
+Al+3 + 3 F- = AlF3
+	log_k 16.7
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	302702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 4F- = AlF4-
-	log_k	19.4
-	delta_h	8.7	kJ
-	-gamma	4.5	0
+Al+3 + 4 F- = AlF4-
+	log_k 19.4
+	delta_h 8.7 kJ
+	-gamma 4.5 0
 		#                  Id:	302703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Tl+ + F- = TlF
-	log_k	0.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8702700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + F- = ZnF+
-	log_k	1.3
-	delta_h	11	kJ
-	-gamma	0	0
+	log_k 1.3
+	delta_h 11 kJ
+	-gamma 0 0
 		#                  Id:	9502700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Cd+2 + F- = CdF+
-	log_k	1.2
-	delta_h	5	kJ
-	-gamma	0	0
+	log_k 1.2
+	delta_h 5 kJ
+	-gamma 0 0
 		#                  Id:	1602700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2F- = CdF2
-	log_k	1.5
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 F- = CdF2
+	log_k 1.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1602701
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O
-	log_k	7.763
-	delta_h	-35.72	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Hg(OH)2 + 2 H+ + F- = HgF+ + 2 H2O
+	log_k 7.763
+	delta_h -35.72 kJ
+	-gamma 0 0
 		#                  Id:	3612701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
 Cu+2 + F- = CuF+
-	log_k	1.8
-	delta_h	13	kJ
-	-gamma	0	0
+	log_k 1.8
+	delta_h 13 kJ
+	-gamma 0 0
 		#                  Id:	2312700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ag+ + F- = AgF
-	log_k	0.4
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k 0.4
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	202700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + F- = NiF+
-	log_k	1.4
-	delta_h	7.1	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 7.1 kJ
+	-gamma 0 0
 		#                  Id:	5402700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Co+2 + F- = CoF+
-	log_k	1.5
-	delta_h	9.2	kJ
-	-gamma	0	0
+	log_k 1.5
+	delta_h 9.2 kJ
+	-gamma 0 0
 		#                  Id:	2002700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Fe+3 + F- = FeF+2
-	log_k	6.04
-	delta_h	10	kJ
-	-gamma	5	0
+	log_k 6.04
+	delta_h 10 kJ
+	-gamma 5 0
 		#                  Id:	2812700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2F- = FeF2+
-	log_k	10.4675
-	delta_h	17	kJ
-	-gamma	5	0
+Fe+3 + 2 F- = FeF2+
+	log_k 10.4675
+	delta_h 17 kJ
+	-gamma 5 0
 		#                  Id:	2812701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
-Fe+3 + 3F- = FeF3
-	log_k	13.617
-	delta_h	29	kJ
-	-gamma	0	0
+Fe+3 + 3 F- = FeF3
+	log_k 13.617
+	delta_h 29 kJ
+	-gamma 0 0
 		#                  Id:	2812702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
 Mn+2 + F- = MnF+
-	log_k	1.6
-	delta_h	11	kJ
-	-gamma	5	0
+	log_k 1.6
+	delta_h 11 kJ
+	-gamma 5 0
 		#                  Id:	4702700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O
-	log_k	14.7688
-	delta_h	-70.2452	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + F- = CrF+2 + 2 H2O
+	log_k 14.7688
+	delta_h -70.2452 kJ
+	-gamma 0 0
 		#                  Id:	2112700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 VO+2 + F- = VOF+
-	log_k	3.778
-	delta_h	7.9	kJ
-	-gamma	0	0
+	log_k 3.778
+	delta_h 7.9 kJ
+	-gamma 0 0
 		#                  Id:	9022700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-VO+2 + 2F- = VOF2
-	log_k	6.352
-	delta_h	14	kJ
-	-gamma	0	0
+VO+2 + 2 F- = VOF2
+	log_k 6.352
+	delta_h 14 kJ
+	-gamma 0 0
 		#                  Id:	9022701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-VO+2 + 3F- = VOF3-
-	log_k	7.902
-	delta_h	20	kJ
-	-gamma	0	0
+VO+2 + 3 F- = VOF3-
+	log_k 7.902
+	delta_h 20 kJ
+	-gamma 0 0
 		#                  Id:	9022702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-VO+2 + 4F- = VOF4-2
-	log_k	8.508
-	delta_h	26	kJ
-	-gamma	0	0
+VO+2 + 4 F- = VOF4-2
+	log_k 8.508
+	delta_h 26 kJ
+	-gamma 0 0
 		#                  Id:	9022703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
 VO2+ + F- = VO2F
-	log_k	3.244
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.244
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9032700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-VO2+ + 2F- = VO2F2-
-	log_k	5.804
-	delta_h	0	kJ
-	-gamma	0	0
+VO2+ + 2 F- = VO2F2-
+	log_k 5.804
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9032701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-VO2+ + 3F- = VO2F3-2
-	log_k	6.9
-	delta_h	0	kJ
-	-gamma	0	0
+VO2+ + 3 F- = VO2F3-2
+	log_k 6.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9032702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-VO2+ + 4F- = VO2F4-3
-	log_k	6.592
-	delta_h	0	kJ
-	-gamma	0	0
+VO2+ + 4 F- = VO2F4-3
+	log_k 6.592
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9032703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
 U+4 + F- = UF+3
-	log_k	9.3
-	delta_h	21.1292	kJ
-	-gamma	0	0
+	log_k 9.3
+	delta_h 21.1292 kJ
+	-gamma 0 0
 		#                  Id:	8912700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-U+4 + 2F- = UF2+2
-	log_k	16.4
-	delta_h	30.1248	kJ
-	-gamma	0	0
+U+4 + 2 F- = UF2+2
+	log_k 16.4
+	delta_h 30.1248 kJ
+	-gamma 0 0
 		#                  Id:	8912701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-U+4 + 3F- = UF3+
-	log_k	21.6
-	delta_h	29.9156	kJ
-	-gamma	0	0
+U+4 + 3 F- = UF3+
+	log_k 21.6
+	delta_h 29.9156 kJ
+	-gamma 0 0
 		#                  Id:	8912702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-U+4 + 4F- = UF4
-	log_k	23.64
-	delta_h	19.2464	kJ
-	-gamma	0	0
+U+4 + 4 F- = UF4
+	log_k 23.64
+	delta_h 19.2464 kJ
+	-gamma 0 0
 		#                  Id:	8912703
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 5F- = UF5-
-	log_k	25.238
-	delta_h	20.2924	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 5 F- = UF5-
+	log_k 25.238
+	delta_h 20.2924 kJ
+	-gamma 0 0
 		#                  Id:	8912704
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 6F- = UF6-2
-	log_k	27.718
-	delta_h	13.8072	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 6 F- = UF6-2
+	log_k 27.718
+	delta_h 13.8072 kJ
+	-gamma 0 0
 		#                  Id:	8912705
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 UO2+2 + F- = UO2F+
-	log_k	5.14
-	delta_h	1	kJ
-	-gamma	0	0
+	log_k 5.14
+	delta_h 1 kJ
+	-gamma 0 0
 		#                  Id:	8932700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2F- = UO2F2
-	log_k	8.6
-	delta_h	2	kJ
-	-gamma	0	0
+UO2+2 + 2 F- = UO2F2
+	log_k 8.6
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	8932701
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 3F- = UO2F3-
-	log_k	11
-	delta_h	2	kJ
-	-gamma	0	0
+UO2+2 + 3 F- = UO2F3-
+	log_k 11
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	8932702
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 4F- = UO2F4-2
-	log_k	11.9
-	delta_h	0.4	kJ
-	-gamma	0	0
+UO2+2 + 4 F- = UO2F4-2
+	log_k 11.9
+	delta_h 0.4 kJ
+	-gamma 0 0
 		#                  Id:	8932703
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Be+2 + F- = BeF+
-	log_k	5.249
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.249
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1102701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Be+2 + 2F- = BeF2
-	log_k	9.1285
-	delta_h	-4	kJ
-	-gamma	0	0
+Be+2 + 2 F- = BeF2
+	log_k 9.1285
+	delta_h -4 kJ
+	-gamma 0 0
 		#                  Id:	1102702
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Be+2 + 3F- = BeF3-
-	log_k	11.9085
-	delta_h	-8	kJ
-	-gamma	0	0
+Be+2 + 3 F- = BeF3-
+	log_k 11.9085
+	delta_h -8 kJ
+	-gamma 0 0
 		#                  Id:	1102703
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
 Mg+2 + F- = MgF+
-	log_k	2.05
-	delta_h	13	kJ
-	-gamma	4.5	0
+	log_k 2.05
+	delta_h 13 kJ
+	-gamma 4.5 0
 		#                  Id:	4602700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + F- = CaF+
-	log_k	1.038
-	delta_h	14	kJ
-	-gamma	5	0
+	log_k 1.038
+	delta_h 14 kJ
+	-gamma 5 0
 		#                  Id:	1502700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
 Sr+2 + F- = SrF+
-	log_k	0.548
-	delta_h	16	kJ
-	-gamma	0	0
+	log_k 0.548
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	8002701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 1.00 25.0
 Na+ + F- = NaF
-	log_k	-0.2
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k -0.2
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	5002700
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O
-	log_k	8.734
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + Cl- = SnCl+ + 2 H2O
+	log_k 8.734
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O
-	log_k	9.524
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 2 Cl- = SnCl2 + 2 H2O
+	log_k 9.524
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O
-	log_k	8.3505
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 3 Cl- = SnCl3- + 2 H2O
+	log_k 8.3505
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 2.00 25.0
 Pb+2 + Cl- = PbCl+
-	log_k	1.55
-	delta_h	8.7	kJ
-	-gamma	0	0
+	log_k 1.55
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	6001800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Cl- = PbCl2
-	log_k	2.2
-	delta_h	12	kJ
-	-gamma	0	0
+Pb+2 + 2 Cl- = PbCl2
+	log_k 2.2
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	6001801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 3Cl- = PbCl3-
-	log_k	1.8
-	delta_h	4	kJ
-	-gamma	0	0
+Pb+2 + 3 Cl- = PbCl3-
+	log_k 1.8
+	delta_h 4 kJ
+	-gamma 0 0
 		#                  Id:	6001802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 4Cl- = PbCl4-2
-	log_k	1.46
-	delta_h	14.7695	kJ
-	-gamma	0	0
+Pb+2 + 4 Cl- = PbCl4-2
+	log_k 1.46
+	delta_h 14.7695 kJ
+	-gamma 0 0
 		#                  Id:	6001803
-		#        log K source:	SCD3.02 (1984 SEa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1984 SEa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Tl+ + Cl- = TlCl
-	log_k	0.51
-	delta_h	-6.2	kJ
-	-gamma	0	0
+	log_k 0.51
+	delta_h -6.2 kJ
+	-gamma 0 0
 		#                  Id:	8701800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl+ + 2Cl- = TlCl2-
-	log_k	0.28
-	delta_h	0	kJ
-	-gamma	0	0
+Tl+ + 2 Cl- = TlCl2-
+	log_k 0.28
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8701801
-		#        log K source:	SCD3.02 (1992 RAb)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1992 RAb)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O
-	log_k	11.011
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ + Cl- = TlCl+2 + 3 H2O
+	log_k 11.011
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O
-	log_k	16.771
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ + 2 Cl- = TlCl2+ + 3 H2O
+	log_k 16.771
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O
-	log_k	19.791
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ + 3 Cl- = TlCl3 + 3 H2O
+	log_k 19.791
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O
-	log_k	21.591
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ + 4 Cl- = TlCl4- + 3 H2O
+	log_k 21.591
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O
-	log_k	10.629
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O
+	log_k 10.629
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Zn+2 + Cl- = ZnCl+
-	log_k	0.4
-	delta_h	5.4	kJ
-	-gamma	4	0
+	log_k 0.4
+	delta_h 5.4 kJ
+	-gamma 4 0
 		#                  Id:	9501800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Cl- = ZnCl2
-	log_k	0.6
-	delta_h	37	kJ
-	-gamma	0	0
+Zn+2 + 2 Cl- = ZnCl2
+	log_k 0.6
+	delta_h 37 kJ
+	-gamma 0 0
 		#                  Id:	9501801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3Cl- = ZnCl3-
-	log_k	0.5
-	delta_h	39.999	kJ
-	-gamma	4	0
+Zn+2 + 3 Cl- = ZnCl3-
+	log_k 0.5
+	delta_h 39.999 kJ
+	-gamma 4 0
 		#                  Id:	9501802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 4Cl- = ZnCl4-2
-	log_k	0.199
-	delta_h	45.8566	kJ
-	-gamma	5	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Zn+2 + 4 Cl- = ZnCl4-2
+	log_k 0.199
+	delta_h 45.8566 kJ
+	-gamma 5 0
 		#                  Id:	9501803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Zn+2 + H2O + Cl- = ZnOHCl + H+
-	log_k	-7.48
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -7.48
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9501804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cd+2 + Cl- = CdCl+
-	log_k	1.98
-	delta_h	1	kJ
-	-gamma	0	0
+	log_k 1.98
+	delta_h 1 kJ
+	-gamma 0 0
 		#                  Id:	1601800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Cl- = CdCl2
-	log_k	2.6
-	delta_h	3	kJ
-	-gamma	0	0
+Cd+2 + 2 Cl- = CdCl2
+	log_k 2.6
+	delta_h 3 kJ
+	-gamma 0 0
 		#                  Id:	1601801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3Cl- = CdCl3-
-	log_k	2.4
-	delta_h	10	kJ
-	-gamma	0	0
+Cd+2 + 3 Cl- = CdCl3-
+	log_k 2.4
+	delta_h 10 kJ
+	-gamma 0 0
 		#                  Id:	1601802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Cd+2 + H2O + Cl- = CdOHCl + H+
-	log_k	-7.404
-	delta_h	18.2213	kJ
-	-gamma	0	0
+	log_k -7.404
+	delta_h 18.2213 kJ
+	-gamma 0 0
 		#                  Id:	1601803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O
-	log_k	13.494
-	delta_h	-62.72	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Hg(OH)2 + 2 H+ + Cl- = HgCl+ + 2 H2O
+	log_k 13.494
+	delta_h -62.72 kJ
+	-gamma 0 0
 		#                  Id:	3611800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O
-	log_k	20.194
-	delta_h	-92.42	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 Cl- = HgCl2 + 2 H2O
+	log_k 20.194
+	delta_h -92.42 kJ
+	-gamma 0 0
 		#                  Id:	3611801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O
-	log_k	21.194
-	delta_h	-94.02	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 3 Cl- = HgCl3- + 2 H2O
+	log_k 21.194
+	delta_h -94.02 kJ
+	-gamma 0 0
 		#                  Id:	3611802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O
-	log_k	21.794
-	delta_h	-100.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 4 Cl- = HgCl4-2 + 2 H2O
+	log_k 21.794
+	delta_h -100.72 kJ
+	-gamma 0 0
 		#                  Id:	3611803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O
-	log_k	25.532
-	delta_h	-135.3	kJ
-	-gamma	0	0
+Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O
+	log_k 25.532
+	delta_h -135.3 kJ
+	-gamma 0 0
 		#                  Id:	3611804
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 Hg(OH)2 + H+ + Cl- = HgClOH + H2O
-	log_k	10.444
-	delta_h	-42.72	kJ
-	-gamma	0	0
+	log_k 10.444
+	delta_h -42.72 kJ
+	-gamma 0 0
 		#                  Id:	3611805
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
 Cu+2 + Cl- = CuCl+
-	log_k	0.2
-	delta_h	8.3	kJ
-	-gamma	4	0
+	log_k 0.2
+	delta_h 8.3 kJ
+	-gamma 4 0
 		#                  Id:	2311800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Cl- = CuCl2
-	log_k	-0.26
-	delta_h	44.183	kJ
-	-gamma	0	0
+Cu+2 + 2 Cl- = CuCl2
+	log_k -0.26
+	delta_h 44.183 kJ
+	-gamma 0 0
 		#                  Id:	2311801
-		#        log K source:	SCD3.02 (1989 IPa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1989 IPa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3Cl- = CuCl3-
-	log_k	-2.29
-	delta_h	57.279	kJ
-	-gamma	4	0
+Cu+2 + 3 Cl- = CuCl3-
+	log_k -2.29
+	delta_h 57.279 kJ
+	-gamma 4 0
 		#                  Id:	2311802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+2 + 4Cl- = CuCl4-2
-	log_k	-4.59
-	delta_h	32.5515	kJ
-	-gamma	5	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cu+2 + 4 Cl- = CuCl4-2
+	log_k -4.59
+	delta_h 32.5515 kJ
+	-gamma 5 0
 		#                  Id:	2311803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+ + 2Cl- = CuCl2-
-	log_k	5.42
-	delta_h	-1.7573	kJ
-	-gamma	4	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cu+ + 2 Cl- = CuCl2-
+	log_k 5.42
+	delta_h -1.7573 kJ
+	-gamma 4 0
 		#                  Id:	2301800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cu+ + 3Cl- = CuCl3-2
-	log_k	4.75
-	delta_h	1.0878	kJ
-	-gamma	5	0
+Cu+ + 3 Cl- = CuCl3-2
+	log_k 4.75
+	delta_h 1.0878 kJ
+	-gamma 5 0
 		#                  Id:	2301801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Cu+ + Cl- = CuCl
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2301802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ag+ + Cl- = AgCl
-	log_k	3.31
-	delta_h	-12	kJ
-	-gamma	0	0
+	log_k 3.31
+	delta_h -12 kJ
+	-gamma 0 0
 		#                  Id:	201800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Cl- = AgCl2-
-	log_k	5.25
-	delta_h	-16	kJ
-	-gamma	0	0
+Ag+ + 2 Cl- = AgCl2-
+	log_k 5.25
+	delta_h -16 kJ
+	-gamma 0 0
 		#                  Id:	201801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Cl- = AgCl3-2
-	log_k	5.2
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 3 Cl- = AgCl3-2
+	log_k 5.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 4Cl- = AgCl4-3
-	log_k	5.51
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 4 Cl- = AgCl4-3
+	log_k 5.51
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Ni+2 + Cl- = NiCl+
-	log_k	0.408
-	delta_h	2	kJ
-	-gamma	0	0
+	log_k 0.408
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	5401800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-Ni+2 + 2Cl- = NiCl2
-	log_k	-1.89
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 2 Cl- = NiCl2
+	log_k -1.89
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401801
-		#        log K source:	SCD3.02 (1989 IPa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1989 IPa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Co+2 + Cl- = CoCl+
-	log_k	0.539
-	delta_h	2	kJ
-	-gamma	0	0
+	log_k 0.539
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	2001800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
 Co+3 + Cl- = CoCl+2
-	log_k	2.3085
-	delta_h	16	kJ
-	-gamma	0	0
+	log_k 2.3085
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	2011800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
 Fe+3 + Cl- = FeCl+2
-	log_k	1.48
-	delta_h	23	kJ
-	-gamma	5	0
+	log_k 1.48
+	delta_h 23 kJ
+	-gamma 5 0
 		#                  Id:	2811800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2Cl- = FeCl2+
-	log_k	2.13
-	delta_h	0	kJ
-	-gamma	5	0
+Fe+3 + 2 Cl- = FeCl2+
+	log_k 2.13
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	2811801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 3Cl- = FeCl3
-	log_k	1.13
-	delta_h	0	kJ
-	-gamma	0	0
+Fe+3 + 3 Cl- = FeCl3
+	log_k 1.13
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2811802
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	Nord90
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + Cl- = MnCl+
-	log_k	0.1
-	delta_h	0	kJ
-	-gamma	5	0
+	log_k 0.1
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4701800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 20.0
-Mn+2 + 2Cl- = MnCl2
-	log_k	0.25
-	delta_h	0	kJ
-	-gamma	0	0
+Mn+2 + 2 Cl- = MnCl2
+	log_k 0.25
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4701801
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	Nord90
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Mn+2 + 3Cl- = MnCl3-
-	log_k	-0.31
-	delta_h	0	kJ
-	-gamma	5	0
+Mn+2 + 3 Cl- = MnCl3-
+	log_k -0.31
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4701802
-		#        log K source:	Nord90                        
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	Nord90
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O
-	log_k	9.6808
-	delta_h	-103.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + Cl- = CrCl+2 + 2 H2O
+	log_k 9.6808
+	delta_h -103.62 kJ
+	-gamma 0 0
 		#                  Id:	2111800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O
-	log_k	8.658
-	delta_h	-39.2208	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O
+	log_k 8.658
+	delta_h -39.2208 kJ
+	-gamma 0 0
 		#                  Id:	2111801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O
-	log_k	2.9627
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O
+	log_k 2.9627
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2111802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 VO+2 + Cl- = VOCl+
-	log_k	0.448
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.448
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9021800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
 U+4 + Cl- = UCl+3
-	log_k	1.7
-	delta_h	-20	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h -20 kJ
+	-gamma 0 0
 		#                  Id:	8911800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 UO2+2 + Cl- = UO2Cl+
-	log_k	0.21
-	delta_h	16	kJ
-	-gamma	0	0
+	log_k 0.21
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	8931800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Be+2 + Cl- = BeCl+
-	log_k	0.2009
-	delta_h	0	kJ
-	-gamma	5	0
+	log_k 0.2009
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	1101801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.70 20.0
-Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O
-	log_k	8.254
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + Br- = SnBr+ + 2 H2O
+	log_k 8.254
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O
-	log_k	8.794
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 2 Br- = SnBr2 + 2 H2O
+	log_k 8.794
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O
-	log_k	7.48
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 3 Br- = SnBr3- + 2 H2O
+	log_k 7.48
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 3.00 25.0
 Pb+2 + Br- = PbBr+
-	log_k	1.7
-	delta_h	8	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h 8 kJ
+	-gamma 0 0
 		#                  Id:	6001300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Br- = PbBr2
-	log_k	2.6
-	delta_h	-4	kJ
-	-gamma	0	0
+Pb+2 + 2 Br- = PbBr2
+	log_k 2.6
+	delta_h -4 kJ
+	-gamma 0 0
 		#                  Id:	6001301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Tl+ + Br- = TlBr
-	log_k	0.91
-	delta_h	-12	kJ
-	-gamma	0	0
+	log_k 0.91
+	delta_h -12 kJ
+	-gamma 0 0
 		#                  Id:	8701300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl+ + 2Br- = TlBr2-
-	log_k	-0.384
-	delta_h	12.36	kJ
-	-gamma	0	0
+Tl+ + 2 Br- = TlBr2-
+	log_k -0.384
+	delta_h 12.36 kJ
+	-gamma 0 0
 		#                  Id:	8701301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 4.00 25.0
 Tl+ + Br- + Cl- = TlBrCl-
-	log_k	0.8165
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.8165
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8701302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Tl+ + I- + Br- = TlIBr-
-	log_k	2.185
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.185
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8703802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O
-	log_k	12.803
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Tl(OH)3 + 3 H+ + Br- = TlBr+2 + 3 H2O
+	log_k 12.803
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O
-	log_k	20.711
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 H+ + 2 Br- = TlBr2+ + 3 H2O
+	log_k 20.711
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O
-	log_k	27.0244
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O
+	log_k 27.0244
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O
-	log_k	31.1533
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O
+	log_k 31.1533
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8711303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Zn+2 + Br- = ZnBr+
-	log_k	-0.07
-	delta_h	1	kJ
-	-gamma	0	0
+	log_k -0.07
+	delta_h 1 kJ
+	-gamma 0 0
 		#                  Id:	9501300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Br- = ZnBr2
-	log_k	-0.98
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 Br- = ZnBr2
+	log_k -0.98
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9501301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cd+2 + Br- = CdBr+
-	log_k	2.15
-	delta_h	-3	kJ
-	-gamma	0	0
+	log_k 2.15
+	delta_h -3 kJ
+	-gamma 0 0
 		#                  Id:	1601300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Br- = CdBr2
-	log_k	3
-	delta_h	-3	kJ
-	-gamma	0	0
+Cd+2 + 2 Br- = CdBr2
+	log_k 3
+	delta_h -3 kJ
+	-gamma 0 0
 		#                  Id:	1601301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O
-	log_k	15.803
-	delta_h	-81.92	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + Br- = HgBr+ + 2 H2O
+	log_k 15.803
+	delta_h -81.92 kJ
+	-gamma 0 0
 		#                  Id:	3611301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O
-	log_k	24.2725
-	delta_h	-127.12	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 Br- = HgBr2 + 2 H2O
+	log_k 24.2725
+	delta_h -127.12 kJ
+	-gamma 0 0
 		#                  Id:	3611302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O
-	log_k	26.7025
-	delta_h	-138.82	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O
+	log_k 26.7025
+	delta_h -138.82 kJ
+	-gamma 0 0
 		#                  Id:	3611303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O
-	log_k	27.933
-	delta_h	-153.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O
+	log_k 27.933
+	delta_h -153.72 kJ
+	-gamma 0 0
 		#                  Id:	3611304
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O
-	log_k	22.1811
-	delta_h	-113.77	kJ
-	-gamma	0	0
+Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O
+	log_k 22.1811
+	delta_h -113.77 kJ
+	-gamma 0 0
 		#                  Id:	3611305
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O
-	log_k	27.3133
-	delta_h	-151.27	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O
+	log_k 27.3133
+	delta_h -151.27 kJ
+	-gamma 0 0
 		#                  Id:	3611306
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O
-	log_k	34.2135
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O
+	log_k 34.2135
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611307
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O
-	log_k	32.3994
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O
+	log_k 32.3994
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611308
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O
-	log_k	30.1528
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O
+	log_k 30.1528
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611309
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Hg(OH)2 + H+ + Br- = HgBrOH + H2O
-	log_k	12.433
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.433
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3613301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Ag+ + Br- = AgBr
-	log_k	4.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Br- = AgBr2-
-	log_k	7.5
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 2 Br- = AgBr2-
+	log_k 7.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Br- = AgBr3-2
-	log_k	8.1
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 3 Br- = AgBr3-2
+	log_k 8.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + Br- = NiBr+
-	log_k	0.5
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O
-	log_k	7.5519
-	delta_h	-46.9068	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O
+	log_k 7.5519
+	delta_h -46.9068 kJ
+	-gamma 0 0
 		#                  Id:	2111300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Be+2 + Br- = BeBr+
-	log_k	0.1009
-	delta_h	0	kJ
-	-gamma	5	0
+	log_k 0.1009
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	1101301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.70 20.0
 Pb+2 + I- = PbI+
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2I- = PbI2
-	log_k	3.2
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 I- = PbI2
+	log_k 3.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6003801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Tl+ + I- = TlI
-	log_k	1.4279
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4279
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8703800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl+ + 2I- = TlI2-
-	log_k	1.8588
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Tl+ + 2 I- = TlI2-
+	log_k 1.8588
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8703801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O
-	log_k	34.7596
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O
+	log_k 34.7596
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8713800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Zn+2 + I- = ZnI+
-	log_k	-2.0427
-	delta_h	-4	kJ
-	-gamma	0	0
+	log_k -2.0427
+	delta_h -4 kJ
+	-gamma 0 0
 		#                  Id:	9503800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 3.00 25.0
-Zn+2 + 2I- = ZnI2
-	log_k	-1.69
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 I- = ZnI2
+	log_k -1.69
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9503801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cd+2 + I- = CdI+
-	log_k	2.28
-	delta_h	-9.6	kJ
-	-gamma	0	0
+	log_k 2.28
+	delta_h -9.6 kJ
+	-gamma 0 0
 		#                  Id:	1603800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2I- = CdI2
-	log_k	3.92
-	delta_h	-12	kJ
-	-gamma	0	0
+Cd+2 + 2 I- = CdI2
+	log_k 3.92
+	delta_h -12 kJ
+	-gamma 0 0
 		#                  Id:	1603801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O
-	log_k	19.603
-	delta_h	-111.22	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + I- = HgI+ + 2 H2O
+	log_k 19.603
+	delta_h -111.22 kJ
+	-gamma 0 0
 		#                  Id:	3613801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O
-	log_k	30.8225
-	delta_h	-182.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 I- = HgI2 + 2 H2O
+	log_k 30.8225
+	delta_h -182.72 kJ
+	-gamma 0 0
 		#                  Id:	3613802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O
-	log_k	34.6025
-	delta_h	-194.22	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 3 I- = HgI3- + 2 H2O
+	log_k 34.6025
+	delta_h -194.22 kJ
+	-gamma 0 0
 		#                  Id:	3613803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O
-	log_k	36.533
-	delta_h	-220.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 4 I- = HgI4-2 + 2 H2O
+	log_k 36.533
+	delta_h -220.72 kJ
+	-gamma 0 0
 		#                  Id:	3613804
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
 Ag+ + I- = AgI
-	log_k	6.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	203800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 18.0
-Ag+ + 2I- = AgI2-
-	log_k	11.7
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 2 I- = AgI2-
+	log_k 11.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	203801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 18.0
-Ag+ + 3I- = AgI3-2
-	log_k	12.6
-	delta_h	-122	kJ
-	-gamma	0	0
+Ag+ + 3 I- = AgI3-2
+	log_k 12.6
+	delta_h -122 kJ
+	-gamma 0 0
 		#                  Id:	203802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 4I- = AgI4-3
-	log_k	14.229
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 4 I- = AgI4-3
+	log_k 14.229
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	203803
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 25.0
-Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O
-	log_k	4.8289
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O
+	log_k 4.8289
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2113800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 H+ + HS- = H2S
-	log_k	7.02
-	delta_h	-22	kJ
-	-gamma	0	0
+	log_k 7.02
+	delta_h -22 kJ
+	-gamma 0 0
 		#                  Id:	3307300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2HS- = Pb(HS)2
-	log_k	15.27
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 HS- = Pb(HS)2
+	log_k 15.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6007300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Pb+2 + 3HS- = Pb(HS)3-
-	log_k	16.57
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Pb+2 + 3 HS- = Pb(HS)3-
+	log_k 16.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6007301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Tl+ + HS- = TlHS
-	log_k	2.474
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.474
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8707300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-2Tl+ + HS- = Tl2HS+
-	log_k	5.974
-	delta_h	0	kJ
-	-gamma	0	0
+2 Tl+ + HS- = Tl2HS+
+	log_k 5.974
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8707301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+
-	log_k	1.0044
-	delta_h	0	kJ
-	-gamma	0	0
+2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+
+	log_k 1.0044
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8707302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+
-	log_k	-11.0681
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+
+	log_k -11.0681
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8707303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 2HS- = Zn(HS)2
-	log_k	12.82
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Zn+2 + 2 HS- = Zn(HS)2
+	log_k 12.82
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507300
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	DHa1993
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 3HS- = Zn(HS)3-
-	log_k	16.1
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 3 HS- = Zn(HS)3-
+	log_k 16.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Zn+2 + 3HS- = ZnS(HS)2-2 + H+
-	log_k	6.12
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Zn+2 + 3 HS- = ZnS(HS)2-2 + H+
+	log_k 6.12
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507302
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	DHa1993
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2HS- + 2HS- = Zn(HS)4-2
-	log_k	14.64
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 HS- + 2 HS- = Zn(HS)4-2
+	log_k 14.64
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507303
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	DHa1993
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2HS- = ZnS(HS)- + H+
-	log_k	6.81
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 HS- = ZnS(HS)- + H+
+	log_k 6.81
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507304
-		#        log K source:	DHa1993                       
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	DHa1993
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Cd+2 + HS- = CdHS+
-	log_k	8.008
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.008
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Cd+2 + 2HS- = Cd(HS)2
-	log_k	15.212
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 HS- = Cd(HS)2
+	log_k 15.212
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Cd+2 + 3HS- = Cd(HS)3-
-	log_k	17.112
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 3 HS- = Cd(HS)3-
+	log_k 17.112
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Cd+2 + 4HS- = Cd(HS)4-2
-	log_k	19.308
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 4 HS- = Cd(HS)4-2
+	log_k 19.308
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607303
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 2HS- = HgS2-2 + 2H2O
-	log_k	29.414
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O
+	log_k 29.414
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3617300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O
-	log_k	44.516
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 HS- = Hg(HS)2 + 2 H2O
+	log_k 44.516
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3617301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O
-	log_k	38.122
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + H+ + 2 HS- = HgHS2- + 2 H2O
+	log_k 38.122
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3617302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
-Cu+2 + 3HS- = Cu(HS)3-
-	log_k	25.899
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 3 HS- = Cu(HS)3-
+	log_k 25.899
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2317300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Ag+ + HS- = AgHS
-	log_k	13.8145
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.8145
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207300
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
-Ag+ + 2HS- = Ag(HS)2-
-	log_k	17.9145
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 2 HS- = Ag(HS)2-
+	log_k 17.9145
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
-Fe+2 + 2HS- = Fe(HS)2
-	log_k	8.95
-	delta_h	0	kJ
-	-gamma	0	0
+Fe+2 + 2 HS- = Fe(HS)2
+	log_k 8.95
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2807300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Fe+2 + 3HS- = Fe(HS)3-
-	log_k	10.987
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Fe+2 + 3 HS- = Fe(HS)3-
+	log_k 10.987
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2807301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 HS- = S2-2 + H+
-	log_k	-11.7828
-	delta_h	46.4	kJ
-	-gamma	0	0
+	log_k -11.7828
+	delta_h 46.4 kJ
+	-gamma 0 0
 	-no_check
 		#                  Id:	7317300
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 HS- = S3-2 + H+
-	log_k	-10.7667
-	delta_h	42.2	kJ
-	-gamma	0	0
+	log_k -10.7667
+	delta_h 42.2 kJ
+	-gamma 0 0
 	-no_check
 		#                  Id:	7317301
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 HS- = S4-2 + H+
-	log_k	-9.9608
-	delta_h	39.3	kJ
-	-gamma	0	0
+	log_k -9.9608
+	delta_h 39.3 kJ
+	-gamma 0 0
 	-no_check
 		#                  Id:	7317302
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 HS- = S5-2 + H+
-	log_k	-9.3651
-	delta_h	37.6	kJ
-	-gamma	0	0
+	log_k -9.3651
+	delta_h 37.6 kJ
+	-gamma 0 0
 	-no_check
 		#                  Id:	7317303
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 HS- = S6-2 + H+
-	log_k	-9.881
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.881
+	delta_h 0 kJ
+	-gamma 0 0
 	-no_check
 		#                  Id:	7317304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O
-	log_k	49.3886
-	delta_h	-321.78	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O
+	log_k 49.3886
+	delta_h -321.78 kJ
+	-gamma 0 0
 		#                  Id:	7407300
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Cu+ + 2HS- = Cu(S4)2-3 + 2H+
-	log_k	3.39
-	delta_h	0	kJ
-	-gamma	23	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+
+	log_k 3.39
+	delta_h 0 kJ
+	-gamma 23 0
 	-no_check
 		#                  Id:	2307300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cu+ + 2HS- = CuS4S5-3 + 2H+
-	log_k	2.66
-	delta_h	0	kJ
-	-gamma	25	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cu+ + 2 HS- = CuS4S5-3 + 2 H+
+	log_k 2.66
+	delta_h 0 kJ
+	-gamma 25 0
 	-no_check
 		#                  Id:	2307301
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = Ag(S4)2-3 + 2H+
-	log_k	0.991
-	delta_h	0	kJ
-	-gamma	22	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+
+	log_k 0.991
+	delta_h 0 kJ
+	-gamma 22 0
 	-no_check
 		#                  Id:	207302
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = AgS4S5-3 + 2H+
-	log_k	0.68
-	delta_h	0	kJ
-	-gamma	24	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Ag+ + 2 HS- = AgS4S5-3 + 2 H+
+	log_k 0.68
+	delta_h 0 kJ
+	-gamma 24 0
 	-no_check
 		#                  Id:	207303
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Ag+ + 2HS- = Ag(HS)S4-2 + H+
-	log_k	10.431
-	delta_h	0	kJ
-	-gamma	15	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Ag+ + 2 HS- = Ag(HS)S4-2 + H+
+	log_k 10.431
+	delta_h 0 kJ
+	-gamma 15 0
 	-no_check
 		#                  Id:	207304
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 H+ + SO4-2 = HSO4-
-	log_k	1.99
-	delta_h	22	kJ
-	-gamma	4.5	0
+	log_k 1.99
+	delta_h 22 kJ
+	-gamma 4.5 0
 		#                  Id:	3307320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 NH4+ + SO4-2 = NH4SO4-
-	log_k	1.03
-	delta_h	0	kJ
-	-gamma	5	0
+	log_k 1.03
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4907320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Pb+2 + SO4-2 = PbSO4
-	log_k	2.69
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.69
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6007320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2SO4-2 = Pb(SO4)2-2
-	log_k	3.47
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+	log_k 3.47
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6007321
-		#        log K source:	SCD3.02 (1960 RKa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1960 RKa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Al+3 + SO4-2 = AlSO4+
-	log_k	3.89
-	delta_h	28	kJ
-	-gamma	4.5	0
+	log_k 3.89
+	delta_h 28 kJ
+	-gamma 4.5 0
 		#                  Id:	307320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Al+3 + 2SO4-2 = Al(SO4)2-
-	log_k	4.92
-	delta_h	11.9	kJ
-	-gamma	4.5	0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+	log_k 4.92
+	delta_h 11.9 kJ
+	-gamma 4.5 0
 		#                  Id:	307321
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
+		#        log K source:	Nord90
+		#      Delta H source:	Nord90
 		#T and ionic strength:	 0.00 25.0
 Tl+ + SO4-2 = TlSO4-
-	log_k	1.37
-	delta_h	-0.8	kJ
-	-gamma	0	0
+	log_k 1.37
+	delta_h -0.8 kJ
+	-gamma 0 0
 		#                  Id:	8707320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + SO4-2 = ZnSO4
-	log_k	2.34
-	delta_h	6.2	kJ
-	-gamma	0	0
+	log_k 2.34
+	delta_h 6.2 kJ
+	-gamma 0 0
 		#                  Id:	9507320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
-	log_k	3.28
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+	log_k 3.28
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507321
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cd+2 + SO4-2 = CdSO4
-	log_k	2.37
-	delta_h	8.7	kJ
-	-gamma	0	0
+	log_k 2.37
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	1607320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
-	log_k	3.5
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+	log_k 3.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607321
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O
-	log_k	8.612
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Hg(OH)2 + 2 H+ + SO4-2 = HgSO4 + 2 H2O
+	log_k 8.612
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3617320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Cu+2 + SO4-2 = CuSO4
-	log_k	2.36
-	delta_h	8.7	kJ
-	-gamma	0	0
+	log_k 2.36
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	2317320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ag+ + SO4-2 = AgSO4-
-	log_k	1.3
-	delta_h	6.2	kJ
-	-gamma	0	0
+	log_k 1.3
+	delta_h 6.2 kJ
+	-gamma 0 0
 		#                  Id:	207320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + SO4-2 = NiSO4
-	log_k	2.3
-	delta_h	5.8	kJ
-	-gamma	0	0
+	log_k 2.3
+	delta_h 5.8 kJ
+	-gamma 0 0
 		#                  Id:	5407320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2SO4-2 = Ni(SO4)2-2
-	log_k	0.82
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+	log_k 0.82
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5407321
-		#        log K source:	SCD3.02 (1978 BLa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1978 BLa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Co+2 + SO4-2 = CoSO4
-	log_k	2.3
-	delta_h	6.2	kJ
-	-gamma	0	0
+	log_k 2.3
+	delta_h 6.2 kJ
+	-gamma 0 0
 		#                  Id:	2007320
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Fe+2 + SO4-2 = FeSO4
-	log_k	2.39
-	delta_h	8	kJ
-	-gamma	0	0
+	log_k 2.39
+	delta_h 8 kJ
+	-gamma 0 0
 		#                  Id:	2807320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Fe+3 + SO4-2 = FeSO4+
-	log_k	4.05
-	delta_h	25	kJ
-	-gamma	5	0
+	log_k 4.05
+	delta_h 25 kJ
+	-gamma 5 0
 		#                  Id:	2817320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2SO4-2 = Fe(SO4)2-
-	log_k	5.38
-	delta_h	19.2	kJ
-	-gamma	0	0
+Fe+3 + 2 SO4-2 = Fe(SO4)2-
+	log_k 5.38
+	delta_h 19.2 kJ
+	-gamma 0 0
 		#                  Id:	2817321
-		#        log K source:	Nord90                        
-		#      Delta H source:	Nord90                        
+		#        log K source:	Nord90
+		#      Delta H source:	Nord90
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + SO4-2 = MnSO4
-	log_k	2.25
-	delta_h	8.7	kJ
-	-gamma	0	0
+	log_k 2.25
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	4707320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O
-	log_k	12.9371
-	delta_h	-98.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + SO4-2 = CrSO4+ + 2 H2O
+	log_k 12.9371
+	delta_h -98.62 kJ
+	-gamma 0 0
 		#                  Id:	2117320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 50.0
 Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O
-	log_k	8.2871
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.2871
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2117321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O
-	log_k	16.155
-	delta_h	0	kJ
-	-gamma	0	0
+2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O
+	log_k 16.155
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2117323
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
-	log_k	17.9288
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O
+	log_k 17.9288
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2117324
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 U+4 + SO4-2 = USO4+2
-	log_k	6.6
-	delta_h	8	kJ
-	-gamma	0	0
+	log_k 6.6
+	delta_h 8 kJ
+	-gamma 0 0
 		#                  Id:	8917320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-U+4 + 2SO4-2 = U(SO4)2
-	log_k	10.5
-	delta_h	33	kJ
-	-gamma	0	0
+U+4 + 2 SO4-2 = U(SO4)2
+	log_k 10.5
+	delta_h 33 kJ
+	-gamma 0 0
 		#                  Id:	8917321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 UO2+2 + SO4-2 = UO2SO4
-	log_k	3.18
-	delta_h	20	kJ
-	-gamma	0	0
+	log_k 3.18
+	delta_h 20 kJ
+	-gamma 0 0
 		#                  Id:	8937320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2SO4-2 = UO2(SO4)2-2
-	log_k	4.3
-	delta_h	38	kJ
-	-gamma	0	0
+UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+	log_k 4.3
+	delta_h 38 kJ
+	-gamma 0 0
 		#                  Id:	8937321
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 V+3 + SO4-2 = VSO4+
-	log_k	2.674
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.674
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9017320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 VO+2 + SO4-2 = VOSO4
-	log_k	2.44
-	delta_h	17	kJ
-	-gamma	0	0
+	log_k 2.44
+	delta_h 17 kJ
+	-gamma 0 0
 		#                  Id:	9027320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 VO2+ + SO4-2 = VO2SO4-
-	log_k	1.378
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.378
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9037320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
 Be+2 + SO4-2 = BeSO4
-	log_k	2.19
-	delta_h	29	kJ
-	-gamma	0	0
+	log_k 2.19
+	delta_h 29 kJ
+	-gamma 0 0
 		#                  Id:	1107321
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Be+2 + 2SO4-2 = Be(SO4)2-2
-	log_k	2.596
-	delta_h	0	kJ
-	-gamma	0	0
+Be+2 + 2 SO4-2 = Be(SO4)2-2
+	log_k 2.596
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1107322
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Mg+2 + SO4-2 = MgSO4
-	log_k	2.26
-	delta_h	5.8	kJ
-	-gamma	0	0
+	log_k 2.26
+	delta_h 5.8 kJ
+	-gamma 0 0
 		#                  Id:	4607320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + SO4-2 = CaSO4
-	log_k	2.36
-	delta_h	7.1	kJ
-	-gamma	0	0
+	log_k 2.36
+	delta_h 7.1 kJ
+	-gamma 0 0
 		#                  Id:	1507320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + SO4-2 = SrSO4
-	log_k	2.3
-	delta_h	8	kJ
-	-gamma	0	0
+	log_k 2.3
+	delta_h 8 kJ
+	-gamma 0 0
 		#                  Id:	8007321
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Li+ + SO4-2 = LiSO4-
-	log_k	0.64
-	delta_h	0	kJ
-	-gamma	5	0
+	log_k 0.64
+	delta_h 0 kJ
+	-gamma 5 0
 		#                  Id:	4407320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Na+ + SO4-2 = NaSO4-
-	log_k	0.73
-	delta_h	1	kJ
-	-gamma	5.4	0
+	log_k 0.73
+	delta_h 1 kJ
+	-gamma 5.4 0
 		#                  Id:	5007320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 K+ + SO4-2 = KSO4-
-	log_k	0.85
-	delta_h	4.1	kJ
-	-gamma	5.4	0
+	log_k 0.85
+	delta_h 4.1 kJ
+	-gamma 5.4 0
 		#                  Id:	4107320
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 HSe- + H+ = H2Se
-	log_k	3.89
-	delta_h	3.3	kJ
-	-gamma	0	0
+	log_k 3.89
+	delta_h 3.3 kJ
+	-gamma 0 0
 		#                  Id:	3307600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.00 25.0
-2Ag+ + HSe- = Ag2Se + H+
-	log_k	34.911
-	delta_h	0	kJ
-	-gamma	0	0
+2 Ag+ + HSe- = Ag2Se + H+
+	log_k 34.911
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+
-	log_k	-20.509
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + H2O + 2 HSe- = AgOH(Se)2-4 + 3 H+
+	log_k -20.509
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207601
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Mn+2 + HSe- = MnSe + H+
-	log_k	-5.385
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -5.385
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4707600
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 HSeO3- = SeO3-2 + H+
-	log_k	-8.4
-	delta_h	5.02	kJ
-	-gamma	0	0
+	log_k -8.4
+	delta_h 5.02 kJ
+	-gamma 0 0
 		#                  Id:	3307611
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 HSeO3- + H+ = H2SeO3
-	log_k	2.63
-	delta_h	6.2	kJ
-	-gamma	0	0
+	log_k 2.63
+	delta_h 6.2 kJ
+	-gamma 0 0
 		#                  Id:	3307610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+
-	log_k	-10.884
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 HSeO3- = Cd(SeO3)2-2 + 2 H+
+	log_k -10.884
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607610
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Ag+ + HSeO3- = AgSeO3- + H+
-	log_k	-5.592
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -5.592
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+
-	log_k	-13.04
-	delta_h	0	kJ
-	-gamma	0	0
+Ag+ + 2 HSeO3- = Ag(SeO3)2-3 + 2 H+
+	log_k -13.04
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	207611
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Fe+3 + HSeO3- = FeHSeO3+2
-	log_k	3.422
-	delta_h	25	kJ
-	-gamma	0	0
+	log_k 3.422
+	delta_h 25 kJ
+	-gamma 0 0
 		#                  Id:	2817610
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
 SeO4-2 + H+ = HSeO4-
-	log_k	1.7
-	delta_h	23	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h 23 kJ
+	-gamma 0 0
 		#                  Id:	3307620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + SeO4-2 = ZnSeO4
-	log_k	2.19
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.19
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2SeO4-2 = Zn(SeO4)2-2
-	log_k	2.196
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 SeO4-2 = Zn(SeO4)2-2
+	log_k 2.196
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9507621
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Cd+2 + SeO4-2 = CdSeO4
-	log_k	2.27
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1607620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + SeO4-2 = NiSeO4
-	log_k	2.67
-	delta_h	14	kJ
-	-gamma	0	0
+	log_k 2.67
+	delta_h 14 kJ
+	-gamma 0 0
 		#                  Id:	5407620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Co+2 + SeO4-2 = CoSeO4
-	log_k	2.7
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k 2.7
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	2007621
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + SeO4-2 = MnSeO4
-	log_k	2.43
-	delta_h	14	kJ
-	-gamma	0	0
+	log_k 2.43
+	delta_h 14 kJ
+	-gamma 0 0
 		#                  Id:	4707620
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 NH4+ = NH3 + H+
-	log_k	-9.244
-	delta_h	52	kJ
-	-gamma	0	0
+	log_k -9.244
+	delta_h 52 kJ
+	-gamma 0 0
 		#                  Id:	3304900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ag+ + NH4+ = AgNH3+ + H+
-	log_k	-5.934
-	delta_h	-72	kJ
-	-gamma	0	0
+	log_k -5.934
+	delta_h -72 kJ
+	-gamma 0 0
 		#                  Id:	204901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+
-	log_k	-11.268
-	delta_h	-160	kJ
-	-gamma	0	0
+Ag+ + 2 NH4+ = Ag(NH3)2+ + 2 H+
+	log_k -11.268
+	delta_h -160 kJ
+	-gamma 0 0
 		#                  Id:	204902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O
-	log_k	5.75
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2 H2O
+	log_k 5.75
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3614900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 22.0
-Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O
-	log_k	5.506
-	delta_h	-246.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O
+	log_k 5.506
+	delta_h -246.72 kJ
+	-gamma 0 0
 		#                  Id:	3614901
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+
-	log_k	-3.138
-	delta_h	-312.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + 2 H2O + H+
+	log_k -3.138
+	delta_h -312.72 kJ
+	-gamma 0 0
 		#                  Id:	3614902
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 2.00 25.0
-Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+
-	log_k	-11.482
-	delta_h	-379.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H2O + 2 H+
+	log_k -11.482
+	delta_h -379.72 kJ
+	-gamma 0 0
 		#                  Id:	3614903
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.10 25.0
 Cu+2 + NH4+ = CuNH3+2 + H+
-	log_k	-5.234
-	delta_h	-72	kJ
-	-gamma	0	0
+	log_k -5.234
+	delta_h -72 kJ
+	-gamma 0 0
 		#                  Id:	2314901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + NH4+ = NiNH3+2 + H+
-	log_k	-6.514
-	delta_h	-67	kJ
-	-gamma	0	0
+	log_k -6.514
+	delta_h -67 kJ
+	-gamma 0 0
 		#                  Id:	5404901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+
-	log_k	-13.598
-	delta_h	-111.6	kJ
-	-gamma	0	0
+Ni+2 + 2 NH4+ = Ni(NH3)2+2 + 2 H+
+	log_k -13.598
+	delta_h -111.6 kJ
+	-gamma 0 0
 		#                  Id:	5404902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Co+2 + NH4+ = Co(NH3)+2 + H+
-	log_k	-7.164
-	delta_h	-65	kJ
-	-gamma	0	0
+	log_k -7.164
+	delta_h -65 kJ
+	-gamma 0 0
 		#                  Id:	2004900
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+
-	log_k	-14.778
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 NH4+ = Co(NH3)2+2 + 2 H+
+	log_k -14.778
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 25.0
-Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+
-	log_k	-22.922
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 3 NH4+ = Co(NH3)3+2 + 3 H+
+	log_k -22.922
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 25.0
-Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+
-	log_k	-31.446
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 4 NH4+ = Co(NH3)4+2 + 4 H+
+	log_k -31.446
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004903
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 30.0
-Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+
-	log_k	-40.47
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 5 NH4+ = Co(NH3)5+2 + 5 H+
+	log_k -40.47
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004904
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 2.00 30.0
-Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+
-	log_k	-43.7148
-	delta_h	0	kJ
-	-gamma	0	0
+Co+3 + 6 NH4+ + H2O = Co(NH3)6OH+2 + 7 H+
+	log_k -43.7148
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2014901
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+
-	log_k	-17.9584
-	delta_h	113.38	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Co+3 + 5 NH4+ + Cl- = Co(NH3)5Cl+2 + 5 H+
+	log_k -17.9584
+	delta_h 113.38 kJ
+	-gamma 0 0
 		#                  Id:	2014902
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+
-	log_k	-33.9179
-	delta_h	104.34	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Co+3 + 6 NH4+ + Cl- = Co(NH3)6Cl+2 + 6 H+
+	log_k -33.9179
+	delta_h 104.34 kJ
+	-gamma 0 0
 		#                  Id:	2014903
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+
-	log_k	-33.8884
-	delta_h	110.57	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Co+3 + 6 NH4+ + Br- = Co(NH3)6Br+2 + 6 H+
+	log_k -33.8884
+	delta_h 110.57 kJ
+	-gamma 0 0
 		#                  Id:	2014904
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+
-	log_k	-33.4808
-	delta_h	115.44	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Co+3 + 6 NH4+ + I- = Co(NH3)6I+2 + 6 H+
+	log_k -33.4808
+	delta_h 115.44 kJ
+	-gamma 0 0
 		#                  Id:	2014905
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+
-	log_k	-28.9926
-	delta_h	124.5	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Co+3 + 6 NH4+ + SO4-2 = Co(NH3)6SO4+ + 6 H+
+	log_k -28.9926
+	delta_h 124.5 kJ
+	-gamma 0 0
 		#                  Id:	2014906
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+
-	log_k	-32.8952
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
+Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 2 H2O + 4 H+
+	log_k -32.8952
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2114900
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 4.50 25.0
-Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O
-	log_k	-30.2759
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O
+	log_k -30.2759
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2114901
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+
-	log_k	-31.7932
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+
+	log_k -31.7932
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2114904
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O
-	log_k	-31.887
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O
+	log_k -31.887
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2114905
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O
-	log_k	-32.008
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O
+	log_k -32.008
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2114906
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 #Cr(OH)2+ + 4NH4+ = cis+ + 4H+
 #	log_k	-29.8574
 #	delta_h	0	kJ
 #	-gamma	0	0
 #		#                  Id:	4902113
-#		#        log K source:	MTQ3.11                       
-#		#      Delta H source:	MTQ3.11                       
-#		#T and ionic strength:	          
+#		#        log K source:	MTQ3.11
+#		#      Delta H source:	MTQ3.11
+#		#T and ionic strength:	
 #Cr(OH)2+ + 4NH4+ = trans+ + 4H+
 #	log_k	-30.5537
 #	delta_h	0	kJ
 #	-gamma	0	0
 #		#                  Id:	4902114
-#		#        log K source:	MTQ3.11                       
-#		#      Delta H source:	MTQ3.11                       
-#		#T and ionic strength:	          
+#		#        log K source:	MTQ3.11
+#		#      Delta H source:	MTQ3.11
+#		#T and ionic strength:	
 Ca+2 + NH4+ = CaNH3+2 + H+
-	log_k	-9.144
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.144
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1504901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
-Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+
-	log_k	-18.788
-	delta_h	0	kJ
-	-gamma	0	0
+Ca+2 + 2 NH4+ = Ca(NH3)2+2 + 2 H+
+	log_k -18.788
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1504902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Sr+2 + NH4+ = SrNH3+2 + H+
-	log_k	-9.344
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.344
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Ba+2 + NH4+ = BaNH3+2 + H+
-	log_k	-9.444
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -9.444
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1004901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Tl+ + NO2- = TlNO2
-	log_k	0.83
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.83
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8704910
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ag+ + NO2- = AgNO2
-	log_k	2.32
-	delta_h	-29	kJ
-	-gamma	0	0
+	log_k 2.32
+	delta_h -29 kJ
+	-gamma 0 0
 		#                  Id:	204911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2NO2- = Ag(NO2)2-
-	log_k	2.51
-	delta_h	-46	kJ
-	-gamma	0	0
+Ag+ + 2 NO2- = Ag(NO2)2-
+	log_k 2.51
+	delta_h -46 kJ
+	-gamma 0 0
 		#                  Id:	204910
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Cu+2 + NO2- = CuNO2+
-	log_k	2.02
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.02
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2314911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2NO2- = Cu(NO2)2
-	log_k	3.03
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 2 NO2- = Cu(NO2)2
+	log_k 3.03
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2314912
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Co+2 + NO2- = CoNO2+
-	log_k	0.848
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.848
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004911
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O
-	log_k	7.942
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + NO3- = SnNO3+ + 2 H2O
+	log_k 7.942
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7904921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
 Pb+2 + NO3- = PbNO3+
-	log_k	1.17
-	delta_h	2	kJ
-	-gamma	0	0
+	log_k 1.17
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	6004920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2NO3- = Pb(NO3)2
-	log_k	1.4
-	delta_h	-6.6	kJ
-	-gamma	0	0
+Pb+2 + 2 NO3- = Pb(NO3)2
+	log_k 1.4
+	delta_h -6.6 kJ
+	-gamma 0 0
 		#                  Id:	6004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Tl+ + NO3- = TlNO3
-	log_k	0.33
-	delta_h	-2	kJ
-	-gamma	0	0
+	log_k 0.33
+	delta_h -2 kJ
+	-gamma 0 0
 		#                  Id:	8704920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O
-	log_k	7.0073
-	delta_h	0	kJ
-	-gamma	0	0
+Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O
+	log_k 7.0073
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8714920
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Cd+2 + NO3- = CdNO3+
-	log_k	0.5
-	delta_h	-21	kJ
-	-gamma	0	0
+	log_k 0.5
+	delta_h -21 kJ
+	-gamma 0 0
 		#                  Id:	1604920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2NO3- = Cd(NO3)2
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 NO3- = Cd(NO3)2
+	log_k 0.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1604921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O
-	log_k	5.7613
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + NO3- = HgNO3+ + 2 H2O
+	log_k 5.7613
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3614920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
-Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O
-	log_k	5.38
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 NO3- = Hg(NO3)2 + 2 H2O
+	log_k 5.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3614921
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
 Cu+2 + NO3- = CuNO3+
-	log_k	0.5
-	delta_h	-4.1	kJ
-	-gamma	0	0
+	log_k 0.5
+	delta_h -4.1 kJ
+	-gamma 0 0
 		#                  Id:	2314921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2NO3- = Cu(NO3)2
-	log_k	-0.4
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 2 NO3- = Cu(NO3)2
+	log_k -0.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2314922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + NO3- = ZnNO3+
-	log_k	0.4
-	delta_h	-4.6	kJ
-	-gamma	0	0
+	log_k 0.4
+	delta_h -4.6 kJ
+	-gamma 0 0
 		#                  Id:	9504921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2NO3- = Zn(NO3)2
-	log_k	-0.3
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 NO3- = Zn(NO3)2
+	log_k -0.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9504922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ag+ + NO3- = AgNO3
-	log_k	-0.1
-	delta_h	22.6	kJ
-	-gamma	0	0
+	log_k -0.1
+	delta_h 22.6 kJ
+	-gamma 0 0
 		#                  Id:	204920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + NO3- = NiNO3+
-	log_k	0.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5404921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Co+2 + NO3- = CoNO3+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2NO3- = Co(NO3)2
-	log_k	0.5085
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 NO3- = Co(NO3)2
+	log_k 0.5085
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2004922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Fe+3 + NO3- = FeNO3+2
-	log_k	1
-	delta_h	-37	kJ
-	-gamma	0	0
+	log_k 1
+	delta_h -37 kJ
+	-gamma 0 0
 		#                  Id:	2814921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + NO3- = MnNO3+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4704921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Mn+2 + 2NO3- = Mn(NO3)2
-	log_k	0.6
-	delta_h	-1.6569	kJ
-	-gamma	0	0
+Mn+2 + 2 NO3- = Mn(NO3)2
+	log_k 0.6
+	delta_h -1.6569 kJ
+	-gamma 0 0
 		#                  Id:	4704920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O
-	log_k	8.2094
-	delta_h	-65.4378	kJ
-	-gamma	0	0
+Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O
+	log_k 8.2094
+	delta_h -65.4378 kJ
+	-gamma 0 0
 		#                  Id:	2114920
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 UO2+2 + NO3- = UO2NO3+
-	log_k	0.3
-	delta_h	-12	kJ
-	-gamma	0	0
+	log_k 0.3
+	delta_h -12 kJ
+	-gamma 0 0
 		#                  Id:	8934921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 VO2+ + NO3- = VO2NO3
-	log_k	-0.296
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.296
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9034920
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 20.0
 Ca+2 + NO3- = CaNO3+
-	log_k	0.5
-	delta_h	-5.4	kJ
-	-gamma	0	0
+	log_k 0.5
+	delta_h -5.4 kJ
+	-gamma 0 0
 		#                  Id:	1504921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + NO3- = SrNO3+
-	log_k	0.6
-	delta_h	-10	kJ
-	-gamma	0	0
+	log_k 0.6
+	delta_h -10 kJ
+	-gamma 0 0
 		#                  Id:	8004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + NO3- = BaNO3+
-	log_k	0.7
-	delta_h	-13	kJ
-	-gamma	0	0
+	log_k 0.7
+	delta_h -13 kJ
+	-gamma 0 0
 		#                  Id:	1004921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 H+ + Cyanide- = HCyanide
-	log_k	9.21
-	delta_h	-43.63	kJ
-	-gamma	0	0
+	log_k 9.21
+	delta_h -43.63 kJ
+	-gamma 0 0
 		#                  Id:	3301431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Cd+2 + Cyanide- = CdCyanide+
-	log_k	6.01
-	delta_h	-30	kJ
-	-gamma	0	0
+	log_k 6.01
+	delta_h -30 kJ
+	-gamma 0 0
 		#                  Id:	1601431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Cyanide- = Cd(Cyanide)2
-	log_k	11.12
-	delta_h	-54.3	kJ
-	-gamma	0	0
+Cd+2 + 2 Cyanide- = Cd(Cyanide)2
+	log_k 11.12
+	delta_h -54.3 kJ
+	-gamma 0 0
 		#                  Id:	1601432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 3Cyanide- = Cd(Cyanide)3-
-	log_k	15.65
-	delta_h	-90.3	kJ
-	-gamma	0	0
+Cd+2 + 3 Cyanide- = Cd(Cyanide)3-
+	log_k 15.65
+	delta_h -90.3 kJ
+	-gamma 0 0
 		#                  Id:	1601433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 4Cyanide- = Cd(Cyanide)4-2
-	log_k	17.92
-	delta_h	-112	kJ
-	-gamma	0	0
+Cd+2 + 4 Cyanide- = Cd(Cyanide)4-2
+	log_k 17.92
+	delta_h -112 kJ
+	-gamma 0 0
 		#                  Id:	1601434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O
-	log_k	23.194
-	delta_h	-136.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + Cyanide- = HgCyanide+ + 2 H2O
+	log_k 23.194
+	delta_h -136.72 kJ
+	-gamma 0 0
 		#                  Id:	3611431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O
-	log_k	38.944
-	delta_h	154.28	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 Cyanide- = Hg(Cyanide)2 + 2 H2O
+	log_k 38.944
+	delta_h 154.28 kJ
+	-gamma 0 0
 		#                  Id:	3611432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O
-	log_k	42.504
-	delta_h	-262.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 3 Cyanide- = Hg(Cyanide)3- + 2 H2O
+	log_k 42.504
+	delta_h -262.72 kJ
+	-gamma 0 0
 		#                  Id:	3611433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O
-	log_k	45.164
-	delta_h	-288.72	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 4 Cyanide- = Hg(Cyanide)4-2 + 2 H2O
+	log_k 45.164
+	delta_h -288.72 kJ
+	-gamma 0 0
 		#                  Id:	3611434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+ + 2Cyanide- = Cu(Cyanide)2-
-	log_k	21.9145
-	delta_h	-121	kJ
-	-gamma	0	0
+Cu+ + 2 Cyanide- = Cu(Cyanide)2-
+	log_k 21.9145
+	delta_h -121 kJ
+	-gamma 0 0
 		#                  Id:	2301432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Cu+ + 3Cyanide- = Cu(Cyanide)3-2
-	log_k	27.2145
-	delta_h	-167.4	kJ
-	-gamma	0	0
+Cu+ + 3 Cyanide- = Cu(Cyanide)3-2
+	log_k 27.2145
+	delta_h -167.4 kJ
+	-gamma 0 0
 		#                  Id:	2301433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+ + 4Cyanide- = Cu(Cyanide)4-3
-	log_k	28.7145
-	delta_h	-214.2	kJ
-	-gamma	0	0
+Cu+ + 4 Cyanide- = Cu(Cyanide)4-3
+	log_k 28.7145
+	delta_h -214.2 kJ
+	-gamma 0 0
 		#                  Id:	2301431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Cyanide- = Ag(Cyanide)2-
-	log_k	20.48
-	delta_h	-137	kJ
-	-gamma	0	0
+Ag+ + 2 Cyanide- = Ag(Cyanide)2-
+	log_k 20.48
+	delta_h -137 kJ
+	-gamma 0 0
 		#                  Id:	201432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 3Cyanide- = Ag(Cyanide)3-2
-	log_k	21.7
-	delta_h	-140	kJ
-	-gamma	0	0
+Ag+ + 3 Cyanide- = Ag(Cyanide)3-2
+	log_k 21.7
+	delta_h -140 kJ
+	-gamma 0 0
 		#                  Id:	201433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+
-	log_k	-0.777
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.777
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	201431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 4Cyanide- = Ni(Cyanide)4-2
-	log_k	30.2
-	delta_h	-180	kJ
-	-gamma	0	0
+Ni+2 + 4 Cyanide- = Ni(Cyanide)4-2
+	log_k 30.2
+	delta_h -180 kJ
+	-gamma 0 0
 		#                  Id:	5401431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4-
-	log_k	36.0289
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 4 Cyanide- + H+ = NiH(Cyanide)4-
+	log_k 36.0289
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4
-	log_k	40.7434
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 4 Cyanide- + 2 H+ = NiH2Cyanide4
+	log_k 40.7434
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+
-	log_k	43.3434
-	delta_h	0	kJ
-	-gamma	0	0
+Ni+2 + 4 Cyanide- + 3 H+ = NiH3(Cyanide)4+
+	log_k 43.3434
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401434
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 3Cyanide- = Co(Cyanide)3-
-	log_k	14.312
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 3 Cyanide- = Co(Cyanide)3-
+	log_k 14.312
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 1.00 25.0
-Co+2 + 5Cyanide- = Co(Cyanide)5-3
-	log_k	23
-	delta_h	-257	kJ
-	-gamma	0	0
+Co+2 + 5 Cyanide- = Co(Cyanide)5-3
+	log_k 23
+	delta_h -257 kJ
+	-gamma 0 0
 		#                  Id:	2001432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 1.00 25.0
-Fe+2 + 6Cyanide- = Fe(Cyanide)6-4
-	log_k	35.4
-	delta_h	-358	kJ
-	-gamma	0	0
+Fe+2 + 6 Cyanide- = Fe(Cyanide)6-4
+	log_k 35.4
+	delta_h -358 kJ
+	-gamma 0 0
 		#                  Id:	2801431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3
-	log_k	39.71
-	delta_h	-356	kJ
-	-gamma	0	0
+H+ + Fe+2 + 6 Cyanide- = HFe(Cyanide)6-3
+	log_k 39.71
+	delta_h -356 kJ
+	-gamma 0 0
 		#                  Id:	2801432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2
-	log_k	42.11
-	delta_h	-352	kJ
-	-gamma	0	0
+2 H+ + Fe+2 + 6 Cyanide- = H2Fe(Cyanide)6-2
+	log_k 42.11
+	delta_h -352 kJ
+	-gamma 0 0
 		#                  Id:	2801433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 6Cyanide- = Fe(Cyanide)6-3
-	log_k	43.6
-	delta_h	-293	kJ
-	-gamma	0	0
+Fe+3 + 6 Cyanide- = Fe(Cyanide)6-3
+	log_k 43.6
+	delta_h -293 kJ
+	-gamma 0 0
 		#                  Id:	2811431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-2Fe+3 + 6Cyanide- = Fe2(Cyanide)6
-	log_k	47.6355
-	delta_h	-218	kJ
-	-gamma	0	0
+2 Fe+3 + 6 Cyanide- = Fe2(Cyanide)6
+	log_k 47.6355
+	delta_h -218 kJ
+	-gamma 0 0
 		#                  Id:	2811432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O
-	log_k	53.54
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + Fe+3 + 6 Cyanide- + 2 H+ = SnFe(Cyanide)6- + 2 H2O
+	log_k 53.54
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7901431
-		#        log K source:	Ba1987                        
-		#      Delta H source:	                              
+		#        log K source:	Ba1987
+		#      Delta H source:	
 		#T and ionic strength:	 0.00 25.0
-NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3
-	log_k	37.7
-	delta_h	-354	kJ
-	-gamma	0	0
+NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3
+	log_k 37.7
+	delta_h -354 kJ
+	-gamma 0 0
 		#                  Id:	4901431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3
-	log_k	38.4
-	delta_h	-365.5	kJ
-	-gamma	0	0
+Tl+ + Fe+2 + 6 Cyanide- = TlFe(Cyanide)6-3
+	log_k 38.4
+	delta_h -365.5 kJ
+	-gamma 0 0
 		#                  Id:	8701432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6-
-	log_k	46.39
-	delta_h	-290	kJ
-	-gamma	0	0
+Mg+2 + Fe+3 + 6 Cyanide- = MgFe(Cyanide)6-
+	log_k 46.39
+	delta_h -290 kJ
+	-gamma 0 0
 		#                  Id:	4601431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2
-	log_k	39.21
-	delta_h	-346	kJ
-	-gamma	0	0
+Mg+2 + Fe+2 + 6 Cyanide- = MgFe(Cyanide)6-2
+	log_k 39.21
+	delta_h -346 kJ
+	-gamma 0 0
 		#                  Id:	4601432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6-
-	log_k	46.43
-	delta_h	-291	kJ
-	-gamma	0	0
+Ca+2 + Fe+3 + 6 Cyanide- = CaFe(Cyanide)6-
+	log_k 46.43
+	delta_h -291 kJ
+	-gamma 0 0
 		#                  Id:	1501431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2
-	log_k	39.1
-	delta_h	-347	kJ
-	-gamma	0	0
+Ca+2 + Fe+2 + 6 Cyanide- = CaFe(Cyanide)6-2
+	log_k 39.1
+	delta_h -347 kJ
+	-gamma 0 0
 		#                  Id:	1501432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6
-	log_k	40.6
-	delta_h	-350.201	kJ
-	-gamma	0	0
+2 Ca+2 + Fe+2 + 6 Cyanide- = Ca2Fe(Cyanide)6
+	log_k 40.6
+	delta_h -350.201 kJ
+	-gamma 0 0
 		#                  Id:	1501433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6-
-	log_k	46.45
-	delta_h	-292	kJ
-	-gamma	0	0
+Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6-
+	log_k 46.45
+	delta_h -292 kJ
+	-gamma 0 0
 		#                  Id:	8001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2
-	log_k	39.1
-	delta_h	-350	kJ
-	-gamma	0	0
+Sr+2 + Fe+2 + 6 Cyanide- = SrFe(Cyanide)6-2
+	log_k 39.1
+	delta_h -350 kJ
+	-gamma 0 0
 		#                  Id:	8001432
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2
-	log_k	39.19
-	delta_h	-342	kJ
-	-gamma	0	0
+Ba+2 + Fe+2 + 6 Cyanide- = BaFe(Cyanide)6-2
+	log_k 39.19
+	delta_h -342 kJ
+	-gamma 0 0
 		#                  Id:	1001430
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6-
-	log_k	46.48
-	delta_h	-292	kJ
-	-gamma	0	0
+Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6-
+	log_k 46.48
+	delta_h -292 kJ
+	-gamma 0 0
 		#                  Id:	1001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3
-	log_k	37.6
-	delta_h	-354	kJ
-	-gamma	0	0
+Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3
+	log_k 37.6
+	delta_h -354 kJ
+	-gamma 0 0
 		#                  Id:	5001431
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3
-	log_k	37.75
-	delta_h	-353.9	kJ
-	-gamma	0	0
+K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3
+	log_k 37.75
+	delta_h -353.9 kJ
+	-gamma 0 0
 		#                  Id:	4101433
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2
-	log_k	45.04
-	delta_h	-291	kJ
-	-gamma	0	0
+K+ + Fe+3 + 6 Cyanide- = KFe(Cyanide)6-2
+	log_k 45.04
+	delta_h -291 kJ
+	-gamma 0 0
 		#                  Id:	4101430
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 H+ + PO4-3 = HPO4-2
-	log_k	12.375
-	delta_h	-15	kJ
-	-gamma	5	0
+	log_k 12.375
+	delta_h -15 kJ
+	-gamma 5 0
 		#                  Id:	3305800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-2H+ + PO4-3 = H2PO4-
-	log_k	19.573
-	delta_h	-18	kJ
-	-gamma	5.4	0
+2 H+ + PO4-3 = H2PO4-
+	log_k 19.573
+	delta_h -18 kJ
+	-gamma 5.4 0
 		#                  Id:	3305801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-3H+ + PO4-3 = H3PO4
-	log_k	21.721
-	delta_h	-10.1	kJ
-	-gamma	0	0
+3 H+ + PO4-3 = H3PO4
+	log_k 21.721
+	delta_h -10.1 kJ
+	-gamma 0 0
 		#                  Id:	3305802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Co+2 + H+ + PO4-3 = CoHPO4
-	log_k	15.4128
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.4128
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2005800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-Fe+2 + 2H+ + PO4-3 = FeH2PO4+
-	log_k	22.273
-	delta_h	0	kJ
-	-gamma	5.4	0
+Fe+2 + 2 H+ + PO4-3 = FeH2PO4+
+	log_k 22.273
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	2805800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Fe+2 + H+ + PO4-3 = FeHPO4
-	log_k	15.975
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.975
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2805801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Fe+3 + 2H+ + PO4-3 = FeH2PO4+2
-	log_k	23.8515
-	delta_h	0	kJ
-	-gamma	5.4	0
+Fe+3 + 2 H+ + PO4-3 = FeH2PO4+2
+	log_k 23.8515
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	2815801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Fe+3 + H+ + PO4-3 = FeHPO4+
-	log_k	22.292
-	delta_h	-30.5432	kJ
-	-gamma	5.4	0
+	log_k 22.292
+	delta_h -30.5432 kJ
+	-gamma 5.4 0
 		#                  Id:	2815800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O
-	log_k	31.9068
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O
+	log_k 31.9068
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2115800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 U+4 + PO4-3 + H+ = UHPO4+2
-	log_k	24.443
-	delta_h	31.38	kJ
-	-gamma	0	0
+	log_k 24.443
+	delta_h 31.38 kJ
+	-gamma 0 0
 		#                  Id:	8915800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 2PO4-3 + 2H+ = U(HPO4)2
-	log_k	46.833
-	delta_h	7.1128	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2
+	log_k 46.833
+	delta_h 7.1128 kJ
+	-gamma 0 0
 		#                  Id:	8915801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2
-	log_k	67.564
-	delta_h	-32.6352	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2
+	log_k 67.564
+	delta_h -32.6352 kJ
+	-gamma 0 0
 		#                  Id:	8915802
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4
-	log_k	88.483
-	delta_h	-110.876	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4
+	log_k 88.483
+	delta_h -110.876 kJ
+	-gamma 0 0
 		#                  Id:	8915803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 UO2+2 + H+ + PO4-3 = UO2HPO4
-	log_k	19.655
-	delta_h	-8.7864	kJ
-	-gamma	0	0
+	log_k 19.655
+	delta_h -8.7864 kJ
+	-gamma 0 0
 		#                  Id:	8935800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2
-	log_k	42.988
-	delta_h	-47.6934	kJ
-	-gamma	0	0
+UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
+	log_k 42.988
+	delta_h -47.6934 kJ
+	-gamma 0 0
 		#                  Id:	8935801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 2H+ + PO4-3 = UO2H2PO4+
-	log_k	22.833
-	delta_h	-15.4808	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+UO2+2 + 2 H+ + PO4-3 = UO2H2PO4+
+	log_k 22.833
+	delta_h -15.4808 kJ
+	-gamma 0 0
 		#                  Id:	8935802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
-	log_k	44.7
-	delta_h	-69.036	kJ
-	-gamma	0	0
+UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
+	log_k 44.7
+	delta_h -69.036 kJ
+	-gamma 0 0
 		#                  Id:	8935803
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
-	log_k	66.245
-	delta_h	-119.662	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
+	log_k 66.245
+	delta_h -119.662 kJ
+	-gamma 0 0
 		#                  Id:	8935804
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 UO2+2 + PO4-3 = UO2PO4-
-	log_k	13.25
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.25
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8935805
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Mg+2 + PO4-3 = MgPO4-
-	log_k	4.654
-	delta_h	12.9704	kJ
-	-gamma	5.4	0
+	log_k 4.654
+	delta_h 12.9704 kJ
+	-gamma 5.4 0
 		#                  Id:	4605800
-		#        log K source:	SCD3.02 (1993 GMa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1993 GMa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.20 25.0
-Mg+2 + 2H+ + PO4-3 = MgH2PO4+
-	log_k	21.2561
-	delta_h	-4.6861	kJ
-	-gamma	5.4	0
+Mg+2 + 2 H+ + PO4-3 = MgH2PO4+
+	log_k 21.2561
+	delta_h -4.6861 kJ
+	-gamma 5.4 0
 		#                  Id:	4605801
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 37.0
 Mg+2 + H+ + PO4-3 = MgHPO4
-	log_k	15.175
-	delta_h	-3	kJ
-	-gamma	0	0
+	log_k 15.175
+	delta_h -3 kJ
+	-gamma 0 0
 		#                  Id:	4605802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + H+ + PO4-3 = CaHPO4
-	log_k	15.035
-	delta_h	-3	kJ
-	-gamma	0	0
+	log_k 15.035
+	delta_h -3 kJ
+	-gamma 0 0
 		#                  Id:	1505800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + PO4-3 = CaPO4-
-	log_k	6.46
-	delta_h	12.9704	kJ
-	-gamma	5.4	0
+	log_k 6.46
+	delta_h 12.9704 kJ
+	-gamma 5.4 0
 		#                  Id:	1505801
-		#        log K source:	SCD3.02 (1993 GMa)            
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	SCD3.02 (1993 GMa)
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Ca+2 + 2H+ + PO4-3 = CaH2PO4+
-	log_k	20.923
-	delta_h	-6	kJ
-	-gamma	5.4	0
+Ca+2 + 2 H+ + PO4-3 = CaH2PO4+
+	log_k 20.923
+	delta_h -6 kJ
+	-gamma 5.4 0
 		#                  Id:	1505802
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + H+ + PO4-3 = SrHPO4
-	log_k	14.8728
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.8728
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8005800
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
-Sr+2 + 2H+ + PO4-3 = SrH2PO4+
-	log_k	20.4019
-	delta_h	0	kJ
-	-gamma	0	0
+Sr+2 + 2 H+ + PO4-3 = SrH2PO4+
+	log_k 20.4019
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8005801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
 Na+ + H+ + PO4-3 = NaHPO4-
-	log_k	13.445
-	delta_h	0	kJ
-	-gamma	5.4	0
+	log_k 13.445
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	5005800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 K+ + H+ + PO4-3 = KHPO4-
-	log_k	13.255
-	delta_h	0	kJ
-	-gamma	5.4	0
+	log_k 13.255
+	delta_h 0 kJ
+	-gamma 5.4 0
 		#                  Id:	4105800
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-H3AsO3 = AsO3-3 + 3H+
-	log_k	-34.744
-	delta_h	84.726	kJ
-	-gamma	0	0
+H3AsO3 = AsO3-3 + 3 H+
+	log_k -34.744
+	delta_h 84.726 kJ
+	-gamma 0 0
 		#                  Id:	3300602
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3AsO3 = HAsO3-2 + 2H+
-	log_k	-21.33
-	delta_h	59.4086	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+H3AsO3 = HAsO3-2 + 2 H+
+	log_k -21.33
+	delta_h 59.4086 kJ
+	-gamma 0 0
 		#                  Id:	3300601
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 H3AsO3 = H2AsO3- + H+
-	log_k	-9.29
-	delta_h	27.41	kJ
-	-gamma	0	0
+	log_k -9.29
+	delta_h 27.41 kJ
+	-gamma 0 0
 		#                  Id:	3300600
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.00 25.0
 H3AsO3 + H+ = H4AsO3+
-	log_k	-0.305
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.305
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3300603
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-H3AsO4 = AsO4-3 + 3H+
-	log_k	-20.7
-	delta_h	12.9	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+H3AsO4 = AsO4-3 + 3 H+
+	log_k -20.7
+	delta_h 12.9 kJ
+	-gamma 0 0
 		#                  Id:	3300613
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-H3AsO4 = HAsO4-2 + 2H+
-	log_k	-9.2
-	delta_h	-4.1	kJ
-	-gamma	0	0
+H3AsO4 = HAsO4-2 + 2 H+
+	log_k -9.2
+	delta_h -4.1 kJ
+	-gamma 0 0
 		#                  Id:	3300612
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 H3AsO4 = H2AsO4- + H+
-	log_k	-2.24
-	delta_h	-7.1	kJ
-	-gamma	0	0
+	log_k -2.24
+	delta_h -7.1 kJ
+	-gamma 0 0
 		#                  Id:	3300611
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Sb(OH)3 + H2O = Sb(OH)4- + H+
-	log_k	-12.0429
-	delta_h	69.8519	kJ
-	-gamma	0	0
+	log_k -12.0429
+	delta_h 69.8519 kJ
+	-gamma 0 0
 		#                  Id:	7400020
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
 Sb(OH)3 + H+ = Sb(OH)2+ + H2O
-	log_k	1.3853
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.3853
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7403302
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
 Sb(OH)3 = HSbO2 + H2O
-	log_k	-0.0105
-	delta_h	-0.13	kJ
-	-gamma	0	0
+	log_k -0.0105
+	delta_h -0.13 kJ
+	-gamma 0 0
 		#                  Id:	7400021
-		#        log K source:	NIST2.1.1                     
-		#      Delta H source:	NIST2.1.1                     
-		#T and ionic strength:	          
+		#        log K source:	NIST2.1.1
+		#      Delta H source:	NIST2.1.1
+		#T and ionic strength:	
 Sb(OH)3 = SbO2- + H2O + H+
-	log_k	-11.8011
-	delta_h	70.1866	kJ
-	-gamma	0	0
+	log_k -11.8011
+	delta_h 70.1866 kJ
+	-gamma 0 0
 		#                  Id:	7403301
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)3 + H+ = SbO+ + 2H2O
-	log_k	0.9228
-	delta_h	8.2425	kJ
-	-gamma	0	0
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
+Sb(OH)3 + H+ = SbO+ + 2 H2O
+	log_k 0.9228
+	delta_h 8.2425 kJ
+	-gamma 0 0
 		#                  Id:	7403300
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)6- = SbO3- + 3H2O
-	log_k	2.9319
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
+Sb(OH)6- = SbO3- + 3 H2O
+	log_k 2.9319
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7410021
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
-Sb(OH)6- + 2H+ = SbO2+ + 4H2O
-	log_k	2.3895
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
+Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O
+	log_k 2.3895
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7413300
-		#        log K source:	PNL89                         
-		#      Delta H source:	PNL89                         
-		#T and ionic strength:	          
+		#        log K source:	PNL89
+		#      Delta H source:	PNL89
+		#T and ionic strength:	
 H+ + CO3-2 = HCO3-
-	log_k	10.329
-	delta_h	-14.6	kJ
-	-gamma	5.4	0
+	log_k 10.329
+	delta_h -14.6 kJ
+	-gamma 5.4 0
 		#                  Id:	3301400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-2H+ + CO3-2 = H2CO3
-	log_k	16.681
-	delta_h	-23.76	kJ
-	-gamma	0	0
+2 H+ + CO3-2 = H2CO3
+	log_k 16.681
+	delta_h -23.76 kJ
+	-gamma 0 0
 		#                  Id:	3301401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2CO3-2 = Pb(CO3)2-2
-	log_k	9.938
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+	log_k 9.938
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6001400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Pb+2 + CO3-2 = PbCO3
-	log_k	6.478
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.478
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6001401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Pb+2 + CO3-2 + H+ = PbHCO3+
-	log_k	13.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6001402
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 Zn+2 + CO3-2 = ZnCO3
-	log_k	4.76
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.76
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9501401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + H+ + CO3-2 = ZnHCO3+
-	log_k	11.829
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 11.829
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9501400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O
-	log_k	18.272
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + CO3-2 = HgCO3 + 2 H2O
+	log_k 18.272
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O
-	log_k	21.772
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 CO3-2 = Hg(CO3)2-2 + 2 H2O
+	log_k 21.772
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611402
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
-Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O
-	log_k	22.542
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 3 H+ + CO3-2 = HgHCO3+ + 2 H2O
+	log_k 22.542
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3611403
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Cd+2 + CO3-2 = CdCO3
-	log_k	4.3578
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.3578
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1601401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
 Cd+2 + H+ + CO3-2 = CdHCO3+
-	log_k	10.6863
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 10.6863
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1601400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
-	log_k	7.2278
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+	log_k 7.2278
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1601403
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
 Cu+2 + CO3-2 = CuCO3
-	log_k	6.77
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.77
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2311400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Cu+2 + H+ + CO3-2 = CuHCO3+
-	log_k	12.129
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.129
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2311402
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2CO3-2 = Cu(CO3)2-2
-	log_k	10.2
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+	log_k 10.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2311401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + CO3-2 = NiCO3
-	log_k	4.5718
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.5718
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.70 25.0
 Ni+2 + H+ + CO3-2 = NiHCO3+
-	log_k	12.4199
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.4199
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5401400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.70 25.0
 Co+2 + CO3-2 = CoCO3
-	log_k	4.228
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.228
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
 Co+2 + H+ + CO3-2 = CoHCO3+
-	log_k	12.2199
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.2199
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.70 25.0
 Fe+2 + H+ + CO3-2 = FeHCO3+
-	log_k	11.429
-	delta_h	0	kJ
-	-gamma	6	0
+	log_k 11.429
+	delta_h 0 kJ
+	-gamma 6 0
 		#                  Id:	2801400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Mn+2 + H+ + CO3-2 = MnHCO3+
-	log_k	11.629
-	delta_h	-10.6	kJ
-	-gamma	5	0
+	log_k 11.629
+	delta_h -10.6 kJ
+	-gamma 5 0
 		#                  Id:	4701400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 UO2+2 + CO3-2 = UO2CO3
-	log_k	9.6
-	delta_h	4	kJ
-	-gamma	0	0
+	log_k 9.6
+	delta_h 4 kJ
+	-gamma 0 0
 		#                  Id:	8931400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 2CO3-2 = UO2(CO3)2-2
-	log_k	16.9
-	delta_h	16	kJ
-	-gamma	0	0
+UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+	log_k 16.9
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	8931401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-UO2+2 + 3CO3-2 = UO2(CO3)3-4
-	log_k	21.6
-	delta_h	-40	kJ
-	-gamma	0	0
+UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+	log_k 21.6
+	delta_h -40 kJ
+	-gamma 0 0
 		#                  Id:	8931402
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Be+2 + CO3-2 = BeCO3
-	log_k	6.2546
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.2546
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1101401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 3.00 25.0
 Mg+2 + CO3-2 = MgCO3
-	log_k	2.92
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k 2.92
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	4601400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Mg+2 + H+ + CO3-2 = MgHCO3+
-	log_k	11.339
-	delta_h	-10.6	kJ
-	-gamma	4	0
+	log_k 11.339
+	delta_h -10.6 kJ
+	-gamma 4 0
 		#                  Id:	4601401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + H+ + CO3-2 = CaHCO3+
-	log_k	11.599
-	delta_h	5.4	kJ
-	-gamma	6	0
+	log_k 11.599
+	delta_h 5.4 kJ
+	-gamma 6 0
 		#                  Id:	1501400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 CO3-2 + Ca+2 = CaCO3
-	log_k	3.2
-	delta_h	16	kJ
-	-gamma	0	0
+	log_k 3.2
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	1501401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + CO3-2 = SrCO3
-	log_k	2.81
-	delta_h	20	kJ
-	-gamma	0	0
+	log_k 2.81
+	delta_h 20 kJ
+	-gamma 0 0
 		#                  Id:	8001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + H+ + CO3-2 = SrHCO3+
-	log_k	11.539
-	delta_h	10.4	kJ
-	-gamma	6	0
+	log_k 11.539
+	delta_h 10.4 kJ
+	-gamma 6 0
 		#                  Id:	8001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + CO3-2 = BaCO3
-	log_k	2.71
-	delta_h	16	kJ
-	-gamma	0	0
+	log_k 2.71
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	1001401
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + H+ + CO3-2 = BaHCO3+
-	log_k	11.309
-	delta_h	10.4	kJ
-	-gamma	6	0
+	log_k 11.309
+	delta_h 10.4 kJ
+	-gamma 6 0
 		#                  Id:	1001400
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Na+ + CO3-2 = NaCO3-
-	log_k	1.27
-	delta_h	-20.35	kJ
-	-gamma	5.4	0
+	log_k 1.27
+	delta_h -20.35 kJ
+	-gamma 5.4 0
 		#                  Id:	5001400
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.00 25.0
 Na+ + H+ + CO3-2 = NaHCO3
-	log_k	10.079
-	delta_h	-28.3301	kJ
-	-gamma	0	0
+	log_k 10.079
+	delta_h -28.3301 kJ
+	-gamma 0 0
 		#                  Id:	5001401
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST2.1.1                     
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST2.1.1
 		#T and ionic strength:	 0.00 25.0
-H4SiO4 = H2SiO4-2 + 2H+
-	log_k	-23.04
-	delta_h	61	kJ
-	-gamma	5.4	0
+H4SiO4 = H2SiO4-2 + 2 H+
+	log_k -23.04
+	delta_h 61 kJ
+	-gamma 5.4 0
 		#                  Id:	3307701
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 H4SiO4 = H3SiO4- + H+
-	log_k	-9.84
-	delta_h	20	kJ
-	-gamma	4	0
+	log_k -9.84
+	delta_h 20 kJ
+	-gamma 4 0
 		#                  Id:	3307700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
-	log_k	-1.9111
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -1.9111
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8937700
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 25.0
 H3BO3 = H2BO3- + H+
-	log_k	-9.236
-	delta_h	13	kJ
-	-gamma	2.5	0
+	log_k -9.236
+	delta_h 13 kJ
+	-gamma 2.5 0
 		#                  Id:	3300900
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-2H3BO3 = H5(BO3)2- + H+
-	log_k	-9.306
-	delta_h	8.4	kJ
-	-gamma	2.5	0
+2 H3BO3 = H5(BO3)2- + H+
+	log_k -9.306
+	delta_h 8.4 kJ
+	-gamma 2.5 0
 		#                  Id:	3300901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-3H3BO3 = H8(BO3)3- + H+
-	log_k	-7.306
-	delta_h	29.4	kJ
-	-gamma	2.5	0
+3 H3BO3 = H8(BO3)3- + H+
+	log_k -7.306
+	delta_h 29.4 kJ
+	-gamma 2.5 0
 		#                  Id:	3300902
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ag+ + H3BO3 = AgH2BO3 + H+
-	log_k	-8.036
-	delta_h	0	kJ
-	-gamma	2.5	0
+	log_k -8.036
+	delta_h 0 kJ
+	-gamma 2.5 0
 		#                  Id:	200901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Mg+2 + H3BO3 = MgH2BO3+ + H+
-	log_k	-7.696
-	delta_h	13	kJ
-	-gamma	2.5	0
+	log_k -7.696
+	delta_h 13 kJ
+	-gamma 2.5 0
 		#                  Id:	4600901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + H3BO3 = CaH2BO3+ + H+
-	log_k	-7.476
-	delta_h	17	kJ
-	-gamma	2.5	0
+	log_k -7.476
+	delta_h 17 kJ
+	-gamma 2.5 0
 		#                  Id:	1500901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + H3BO3 = SrH2BO3+ + H+
-	log_k	-7.686
-	delta_h	17	kJ
-	-gamma	2.5	0
+	log_k -7.686
+	delta_h 17 kJ
+	-gamma 2.5 0
 		#                  Id:	8000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + H3BO3 = BaH2BO3+ + H+
-	log_k	-7.746
-	delta_h	17	kJ
-	-gamma	2.5	0
+	log_k -7.746
+	delta_h 17 kJ
+	-gamma 2.5 0
 		#                  Id:	1000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Na+ + H3BO3 = NaH2BO3 + H+
-	log_k	-9.036
-	delta_h	0	kJ
-	-gamma	2.5	0
+	log_k -9.036
+	delta_h 0 kJ
+	-gamma 2.5 0
 		#                  Id:	5000901
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 CrO4-2 + H+ = HCrO4-
-	log_k	6.51
-	delta_h	2	kJ
-	-gamma	0	0
+	log_k 6.51
+	delta_h 2 kJ
+	-gamma 0 0
 		#                  Id:	2123300
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-CrO4-2 + 2H+ = H2CrO4
-	log_k	6.4188
-	delta_h	39	kJ
-	-gamma	0	0
+CrO4-2 + 2 H+ = H2CrO4
+	log_k 6.4188
+	delta_h 39 kJ
+	-gamma 0 0
 		#                  Id:	2123301
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 20.0
-2CrO4-2 + 2H+ = Cr2O7-2 + H2O
-	log_k	14.56
-	delta_h	-15	kJ
-	-gamma	0	0
+2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O
+	log_k 14.56
+	delta_h -15 kJ
+	-gamma 0 0
 		#                  Id:	2123302
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O
-	log_k	7.3086
-	delta_h	0	kJ
-	-gamma	0	0
+CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O
+	log_k 7.3086
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2121800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O
-	log_k	8.9937
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O
+	log_k 8.9937
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2127320
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O
-	log_k	29.3634
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O
+	log_k 29.3634
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2125800
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O
-	log_k	26.6806
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O
+	log_k 26.6806
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2125801
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 CrO4-2 + Na+ = NaCrO4-
-	log_k	0.6963
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.6963
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5002120
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
 K+ + CrO4-2 = KCrO4-
-	log_k	0.57
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4102120
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 18.0
 MoO4-2 + H+ = HMoO4-
-	log_k	4.2988
-	delta_h	20	kJ
-	-gamma	0	0
+	log_k 4.2988
+	delta_h 20 kJ
+	-gamma 0 0
 		#                  Id:	3304801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 20.0
-MoO4-2 + 2H+ = H2MoO4
-	log_k	8.1636
-	delta_h	-26	kJ
-	-gamma	0	0
+MoO4-2 + 2 H+ = H2MoO4
+	log_k 8.1636
+	delta_h -26 kJ
+	-gamma 0 0
 		#                  Id:	3304802
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 20.0
-7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O
-	log_k	52.99
-	delta_h	-228	kJ
-	-gamma	0	0
+7 MoO4-2 + 8 H+ = Mo7O24-6 + 4 H2O
+	log_k 52.99
+	delta_h -228 kJ
+	-gamma 0 0
 		#                  Id:	3304803
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O
-	log_k	59.3768
-	delta_h	-218	kJ
-	-gamma	0	0
+7 MoO4-2 + 9 H+ = HMo7O24-5 + 4 H2O
+	log_k 59.3768
+	delta_h -218 kJ
+	-gamma 0 0
 		#                  Id:	3304804
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O
-	log_k	64.159
-	delta_h	-215	kJ
-	-gamma	0	0
+7 MoO4-2 + 10 H+ = H2Mo7O24-4 + 4 H2O
+	log_k 64.159
+	delta_h -215 kJ
+	-gamma 0 0
 		#                  Id:	3304805
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O
-	log_k	67.405
-	delta_h	-217	kJ
-	-gamma	0	0
+7 MoO4-2 + 11 H+ = H3Mo7O24-3 + 4 H2O
+	log_k 67.405
+	delta_h -217 kJ
+	-gamma 0 0
 		#                  Id:	3304806
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 1.00 25.0
-6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O
-	log_k	54.9925
-	delta_h	0	kJ
-	-gamma	0	0
+6 MoO4-2 + Al+3 + 6 H+ = AlMo6O21-3 + 3 H2O
+	log_k 54.9925
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	304801
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.50 25.0
-MoO4-2 + 2Ag+ = Ag2MoO4
-	log_k	-0.4219
-	delta_h	-1.18	kJ
-	-gamma	0	0
+MoO4-2 + 2 Ag+ = Ag2MoO4
+	log_k -0.4219
+	delta_h -1.18 kJ
+	-gamma 0 0
 		#                  Id:	204801
-		#        log K source:	Bard85                        
-		#      Delta H source:	Bard85                        
-		#T and ionic strength:	          
-VO2+ + 2H2O = VO4-3 + 4H+
-	log_k	-30.2
-	delta_h	-25	kJ
-	-gamma	0	0
+		#        log K source:	Bard85
+		#      Delta H source:	Bard85
+		#T and ionic strength:	
+VO2+ + 2 H2O = VO4-3 + 4 H+
+	log_k -30.2
+	delta_h -25 kJ
+	-gamma 0 0
 		#                  Id:	9033303
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = HVO4-2 + 3H+
-	log_k	-15.9
-	delta_h	0	kJ
-	-gamma	0	0
+VO2+ + 2 H2O = HVO4-2 + 3 H+
+	log_k -15.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9033302
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = H2VO4- + 2H+
-	log_k	-7.3
-	delta_h	0	kJ
-	-gamma	0	0
+VO2+ + 2 H2O = H2VO4- + 2 H+
+	log_k -7.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9033301
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-VO2+ + 2H2O = H3VO4 + H+
-	log_k	-3.3
-	delta_h	44.4759	kJ
-	-gamma	0	0
+VO2+ + 2 H2O = H3VO4 + H+
+	log_k -3.3
+	delta_h 44.4759 kJ
+	-gamma 0 0
 		#                  Id:	9033300
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-2VO2+ + 3H2O = V2O7-4 + 6H+
-	log_k	-31.24
-	delta_h	-28	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+2 VO2+ + 3 H2O = V2O7-4 + 6 H+
+	log_k -31.24
+	delta_h -28 kJ
+	-gamma 0 0
 		#                  Id:	9030020
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-2VO2+ + 3H2O = HV2O7-3 + 5H+
-	log_k	-20.67
-	delta_h	0	kJ
-	-gamma	0	0
+2 VO2+ + 3 H2O = HV2O7-3 + 5 H+
+	log_k -20.67
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9030021
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
-2VO2+ + 3H2O = H3V2O7- + 3H+
-	log_k	-3.79
-	delta_h	0	kJ
-	-gamma	0	0
+2 VO2+ + 3 H2O = H3V2O7- + 3 H+
+	log_k -3.79
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9030022
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-3VO2+ + 3H2O = V3O9-3 + 6H+
-	log_k	-15.88
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+3 VO2+ + 3 H2O = V3O9-3 + 6 H+
+	log_k -15.88
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9030023
-		#        log K source:	MTQ3.11                       
-		#      Delta H source:	MTQ3.11                       
-		#T and ionic strength:	          
-4VO2+ + 4H2O = V4O12-4 + 8H+
-	log_k	-20.56
-	delta_h	-87	kJ
-	-gamma	0	0
+		#        log K source:	MTQ3.11
+		#      Delta H source:	MTQ3.11
+		#T and ionic strength:	
+4 VO2+ + 4 H2O = V4O12-4 + 8 H+
+	log_k -20.56
+	delta_h -87 kJ
+	-gamma 0 0
 		#                  Id:	9030024
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	NIST46.3                      
+		#        log K source:	NIST46.3
+		#      Delta H source:	NIST46.3
 		#T and ionic strength:	 0.00 25.0
-10VO2+ + 8H2O = V10O28-6 + 16H+
-	log_k	-24.0943
-	delta_h	0	kJ
-	-gamma	0	0
+10 VO2+ + 8 H2O = V10O28-6 + 16 H+
+	log_k -24.0943
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9030025
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
-10VO2+ + 8H2O = HV10O28-5 + 15H+
-	log_k	-15.9076
-	delta_h	90.0397	kJ
-	-gamma	0	0
+10 VO2+ + 8 H2O = HV10O28-5 + 15 H+
+	log_k -15.9076
+	delta_h 90.0397 kJ
+	-gamma 0 0
 		#                  Id:	9030026
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.10 20.0
-10VO2+ + 8H2O = H2V10O28-4 + 14H+
-	log_k	-10.7
-	delta_h	0	kJ
-	-gamma	0	0
+10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+
+	log_k -10.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9030027
-		#        log K source:	NIST46.3                      
-		#      Delta H source:	MTQ3.11                       
+		#        log K source:	NIST46.3
+		#      Delta H source:	MTQ3.11
 		#T and ionic strength:	 0.00 25.0
 Benzoate- + H+ = H(Benzoate)
-	log_k	4.202
-	delta_h	-0.4602	kJ
-	-gamma	0	0
+	log_k 4.202
+	delta_h -0.4602 kJ
+	-gamma 0 0
 		#                  Id:	3309171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Pb+2 = Pb(Benzoate)+
-	log_k	2.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Al+3 = Al(Benzoate)+2
-	log_k	2.05
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.05
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+
-	log_k	-0.56
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.56
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309172
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Zn+2 = Zn(Benzoate)+
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Benzoate- + Cd+2 = Cd(Benzoate)+
-	log_k	1.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Benzoate- + Cd+2 = Cd(Benzoate)2
-	log_k	1.82
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 Benzoate- + Cd+2 = Cd(Benzoate)2
+	log_k 1.82
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609172
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Benzoate- + Cu+2 = Cu(Benzoate)+
-	log_k	2.19
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.19
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Ag+ = Ag(Benzoate)
-	log_k	0.91
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.91
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Ni+2 = Ni(Benzoate)+
-	log_k	1.86
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.86
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Co+2 + Benzoate- = Co(Benzoate)+
-	log_k	1.0537
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k 1.0537
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	2009171
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 30.0
 Benzoate- + Mn+2 = Mn(Benzoate)+
-	log_k	2.06
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.06
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709171
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Benzoate- + Mg+2 = Mg(Benzoate)+
-	log_k	1.26
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.26
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Benzoate- + Ca+2 = Ca(Benzoate)+
-	log_k	1.55
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509171
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Phenylacetate- + H+ = H(Phenylacetate)
-	log_k	4.31
-	delta_h	2.1757	kJ
-	-gamma	0	0
+	log_k 4.31
+	delta_h 2.1757 kJ
+	-gamma 0 0
 		#                  Id:	3309181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Phenylacetate- + Zn+2 = Zn(Phenylacetate)+
-	log_k	1.57
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Phenylacetate- + Cu+2 = Cu(Phenylacetate)+
-	log_k	1.97
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.97
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319181
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Phenylacetate- = Co(Phenylacetate)+
-	log_k	0.591
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.591
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009181
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Phenylacetate- = Co(Phenylacetate)2
-	log_k	0.4765
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Phenylacetate- = Co(Phenylacetate)2
+	log_k 0.4765
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009182
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
 Isophthalate-2 + H+ = H(Isophthalate)-
-	log_k	4.5
-	delta_h	1.6736	kJ
-	-gamma	0	0
+	log_k 4.5
+	delta_h 1.6736 kJ
+	-gamma 0 0
 		#                  Id:	3309201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Isophthalate-2 + 2H+ = H2(Isophthalate)
-	log_k	8
-	delta_h	1.6736	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Isophthalate-2 + 2 H+ = H2(Isophthalate)
+	log_k 8
+	delta_h 1.6736 kJ
+	-gamma 0 0
 		#                  Id:	3309202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Pb+2 = Pb(Isophthalate)
-	log_k	2.99
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.99
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2
-	log_k	4.18
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2
+	log_k 4.18
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+
-	log_k	6.69
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.69
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009203
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Cd+2 = Cd(Isophthalate)
-	log_k	2.15
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.15
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2
-	log_k	2.99
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2
+	log_k 2.99
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609202
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+
-	log_k	5.73
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.73
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609203
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Ca+2 = Ca(Isophthalate)
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509200
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Isophthalate-2 + Ba+2 = Ba(Isophthalate)
-	log_k	1.55
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009201
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Diethylamine = H(Diethylamine)+
-	log_k	10.933
-	delta_h	-53.1368	kJ
-	-gamma	0	0
+	log_k 10.933
+	delta_h -53.1368 kJ
+	-gamma 0 0
 		#                  Id:	3309551
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Diethylamine = Zn(Diethylamine)+2
-	log_k	2.74
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.74
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2
-	log_k	5.27
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 2 Diethylamine = Zn(Diethylamine)2+2
+	log_k 5.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2
-	log_k	7.71
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 3 Diethylamine = Zn(Diethylamine)3+2
+	log_k 7.71
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2
-	log_k	9.84
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 4 Diethylamine = Zn(Diethylamine)4+2
+	log_k 9.84
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cd+2 + Diethylamine = Cd(Diethylamine)+2
-	log_k	2.73
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.73
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2
-	log_k	4.86
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 2 Diethylamine = Cd(Diethylamine)2+2
+	log_k 4.86
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2
-	log_k	6.37
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 3 Diethylamine = Cd(Diethylamine)3+2
+	log_k 6.37
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2
-	log_k	7.32
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 4 Diethylamine = Cd(Diethylamine)4+2
+	log_k 7.32
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ag+ + Diethylamine = Ag(Diethylamine)+
-	log_k	2.98
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.98
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209551
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Diethylamine = Ag(Diethylamine)2+
-	log_k	6.38
-	delta_h	-44.7688	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Diethylamine = Ag(Diethylamine)2+
+	log_k 6.38
+	delta_h -44.7688 kJ
+	-gamma 0 0
 		#                  Id:	209552
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Diethylamine = Ni(Diethylamine)+2
-	log_k	2.78
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.78
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409551
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2
-	log_k	4.97
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 2 Diethylamine = Ni(Diethylamine)2+2
+	log_k 4.97
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409552
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2
-	log_k	6.72
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 3 Diethylamine = Ni(Diethylamine)3+2
+	log_k 6.72
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409553
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2
-	log_k	7.93
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 4 Diethylamine = Ni(Diethylamine)4+2
+	log_k 7.93
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409554
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2
-	log_k	8.87
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 5 Diethylamine = Ni(Diethylamine)5+2
+	log_k 8.87
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409555
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Butylamine = H(Butylamine)+
-	log_k	10.64
-	delta_h	-58.2831	kJ
-	-gamma	0	0
+	log_k 10.64
+	delta_h -58.2831 kJ
+	-gamma 0 0
 		#                  Id:	3309561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O
-	log_k	14.84
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Butylamine + 2 H+ = Hg(Butylamine)+2 + 2 H2O
+	log_k 14.84
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O
-	log_k	24.24
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 2 Butylamine + 2 H+ = Hg(Butylamine)2+2 + 2 H2O
+	log_k 24.24
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619562
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O
-	log_k	25.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 3 Butylamine + 2 H+ = Hg(Butylamine)3+2 + 2 H2O
+	log_k 25.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619563
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O
-	log_k	26.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 4 Butylamine + 2 H+ = Hg(Butylamine)4+2 + 2 H2O
+	log_k 26.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619564
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Butylamine = Ag(Butylamine)+
-	log_k	3.42
-	delta_h	-16.736	kJ
-	-gamma	0	0
+	log_k 3.42
+	delta_h -16.736 kJ
+	-gamma 0 0
 		#                  Id:	209561
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Butylamine = Ag(Butylamine)2+
-	log_k	7.47
-	delta_h	-52.7184	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Butylamine = Ag(Butylamine)2+
+	log_k 7.47
+	delta_h -52.7184 kJ
+	-gamma 0 0
 		#                  Id:	209562
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Methylamine = H(Methylamine)+
-	log_k	10.64
-	delta_h	-55.2288	kJ
-	-gamma	0	0
+	log_k 10.64
+	delta_h -55.2288 kJ
+	-gamma 0 0
 		#                  Id:	3309581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Methylamine = Cd(Methylamine)+2
-	log_k	2.75
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.75
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Methylamine = Cd(Methylamine)2+2
-	log_k	4.81
-	delta_h	-29.288	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Methylamine = Cd(Methylamine)2+2
+	log_k 4.81
+	delta_h -29.288 kJ
+	-gamma 0 0
 		#                  Id:	1609582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Methylamine = Cd(Methylamine)3+2
-	log_k	5.94
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 3 Methylamine = Cd(Methylamine)3+2
+	log_k 5.94
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 4Methylamine = Cd(Methylamine)4+2
-	log_k	6.55
-	delta_h	-58.576	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 4 Methylamine = Cd(Methylamine)4+2
+	log_k 6.55
+	delta_h -58.576 kJ
+	-gamma 0 0
 		#                  Id:	1609584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O
-	log_k	14.76
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Methylamine + 2 H+ = Hg(Methylamine)+2 + 2 H2O
+	log_k 14.76
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O
-	log_k	23.96
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 2 Methylamine + 2 H+ = Hg(Methylamine)2+2 + 2 H2O
+	log_k 23.96
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O
-	log_k	24.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 3 Methylamine + 2 H+ = Hg(Methylamine)3+2 + 2 H2O
+	log_k 24.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O
-	log_k	24.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 4 Methylamine + 2 H+ = Hg(Methylamine)4+2 + 2 H2O
+	log_k 24.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Methylamine = Cu(Methylamine)+2
-	log_k	4.11
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.11
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Methylamine = Cu(Methylamine)2+2
-	log_k	7.51
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Methylamine = Cu(Methylamine)2+2
+	log_k 7.51
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Methylamine = Cu(Methylamine)3+2
-	log_k	10.21
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 3 Methylamine = Cu(Methylamine)3+2
+	log_k 10.21
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319583
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Methylamine = Cu(Methylamine)4+2
-	log_k	12.08
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 4 Methylamine = Cu(Methylamine)4+2
+	log_k 12.08
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319584
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Methylamine = Ag(Methylamine)+
-	log_k	3.07
-	delta_h	-12.552	kJ
-	-gamma	0	0
+	log_k 3.07
+	delta_h -12.552 kJ
+	-gamma 0 0
 		#                  Id:	209581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Methylamine = Ag(Methylamine)2+
-	log_k	6.89
-	delta_h	-48.9528	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Methylamine = Ag(Methylamine)2+
+	log_k 6.89
+	delta_h -48.9528 kJ
+	-gamma 0 0
 		#                  Id:	209582
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Methylamine = Ni(Methylamine)+2
-	log_k	2.23
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.23
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409581
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Dimethylamine = H(Dimethylamine)+
-	log_k	10.774
-	delta_h	-50.208	kJ
-	-gamma	0	0
+	log_k 10.774
+	delta_h -50.208 kJ
+	-gamma 0 0
 		#                  Id:	3309591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+
-	log_k	5.37
-	delta_h	-40.5848	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Dimethylamine = Ag(Dimethylamine)2+
+	log_k 5.37
+	delta_h -40.5848 kJ
+	-gamma 0 0
 		#                  Id:	209591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Dimethylamine = Ni(Dimethylamine)+2
-	log_k	1.47
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.47
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409591
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Hexylamine = H(Hexylamine)+
-	log_k	10.63
-	delta_h	-58.576	kJ
-	-gamma	0	0
+	log_k 10.63
+	delta_h -58.576 kJ
+	-gamma 0 0
 		#                  Id:	3309611
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Hexylamine = Ag(Hexylamine)+
-	log_k	3.54
-	delta_h	-25.104	kJ
-	-gamma	0	0
+	log_k 3.54
+	delta_h -25.104 kJ
+	-gamma 0 0
 		#                  Id:	209611
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Hexylamine = Ag(Hexylamine)2+
-	log_k	7.55
-	delta_h	-53.1368	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Hexylamine = Ag(Hexylamine)2+
+	log_k 7.55
+	delta_h -53.1368 kJ
+	-gamma 0 0
 		#                  Id:	209612
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Ethylenediamine = H(Ethylenediamine)+
-	log_k	9.928
-	delta_h	-49.7896	kJ
-	-gamma	0	0
+	log_k 9.928
+	delta_h -49.7896 kJ
+	-gamma 0 0
 		#                  Id:	3309631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Ethylenediamine = H2(Ethylenediamine)+2
-	log_k	16.776
-	delta_h	-95.3952	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Ethylenediamine = H2(Ethylenediamine)+2
+	log_k 16.776
+	delta_h -95.3952 kJ
+	-gamma 0 0
 		#                  Id:	3309632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2
-	log_k	5.04
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.04
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Pb+2 + 2 Ethylenediamine = Pb(Ethylenediamine)2+2
+	log_k 8.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2
-	log_k	5.66
-	delta_h	-29.288	kJ
-	-gamma	0	0
+	log_k 5.66
+	delta_h -29.288 kJ
+	-gamma 0 0
 		#                  Id:	9509631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2
-	log_k	10.6
-	delta_h	-48.116	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Ethylenediamine = Zn(Ethylenediamine)2+2
+	log_k 10.6
+	delta_h -48.116 kJ
+	-gamma 0 0
 		#                  Id:	9509632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2
-	log_k	13.9
-	delta_h	-71.5464	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 3 Ethylenediamine = Zn(Ethylenediamine)3+2
+	log_k 13.9
+	delta_h -71.5464 kJ
+	-gamma 0 0
 		#                  Id:	9509633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2
-	log_k	5.41
-	delta_h	-28.4512	kJ
-	-gamma	0	0
+	log_k 5.41
+	delta_h -28.4512 kJ
+	-gamma 0 0
 		#                  Id:	1609631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2
-	log_k	9.9
-	delta_h	-55.6472	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Ethylenediamine = Cd(Ethylenediamine)2+2
+	log_k 9.9
+	delta_h -55.6472 kJ
+	-gamma 0 0
 		#                  Id:	1609632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2
-	log_k	11.6
-	delta_h	-82.4248	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 3 Ethylenediamine = Cd(Ethylenediamine)3+2
+	log_k 11.6
+	delta_h -82.4248 kJ
+	-gamma 0 0
 		#                  Id:	1609633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O
-	log_k	20.4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Ethylenediamine + 2 H+ = Hg(Ethylenediamine)+2 + 2 H2O
+	log_k 20.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O
-	log_k	29.3
-	delta_h	-173.218	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 2 Ethylenediamine + 2 H+ = Hg(Ethylenediamine)2+2 + 2 H2O
+	log_k 29.3
+	delta_h -173.218 kJ
+	-gamma 0 0
 		#                  Id:	3619632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O
-	log_k	34.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 2 Ethylenediamine + 3 H+ = HgH(Ethylenediamine)2+3 + 2 H2O
+	log_k 34.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+
-	log_k	11.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 2 Ethylenediamine = Cu(Ethylenediamine)2+
+	log_k 11.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2
-	log_k	10.5
-	delta_h	-52.7184	kJ
-	-gamma	0	0
+	log_k 10.5
+	delta_h -52.7184 kJ
+	-gamma 0 0
 		#                  Id:	2319631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2
-	log_k	19.6
-	delta_h	-105.437	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Ethylenediamine = Cu(Ethylenediamine)2+2
+	log_k 19.6
+	delta_h -105.437 kJ
+	-gamma 0 0
 		#                  Id:	2319632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Ethylenediamine = Ag(Ethylenediamine)+
-	log_k	4.6
-	delta_h	-48.9528	kJ
-	-gamma	0	0
+	log_k 4.6
+	delta_h -48.9528 kJ
+	-gamma 0 0
 		#                  Id:	209631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+
-	log_k	7.5
-	delta_h	-52.3	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Ethylenediamine = Ag(Ethylenediamine)2+
+	log_k 7.5
+	delta_h -52.3 kJ
+	-gamma 0 0
 		#                  Id:	209632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2
-	log_k	11.99
-	delta_h	-75.312	kJ
-	-gamma	0	0
+	log_k 11.99
+	delta_h -75.312 kJ
+	-gamma 0 0
 		#                  Id:	209633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2
+	log_k 6.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209634
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2
-	log_k	12.7
-	delta_h	-97.0688	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 Ag+ + 2 Ethylenediamine = Ag2(Ethylenediamine)2+2
+	log_k 12.7
+	delta_h -97.0688 kJ
+	-gamma 0 0
 		#                  Id:	209635
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3
-	log_k	24
-	delta_h	-150.206	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Ethylenediamine + 2 H+ = Ag(HEthylenediamine)2+3
+	log_k 24
+	delta_h -150.206 kJ
+	-gamma 0 0
 		#                  Id:	209636
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2
-	log_k	8.4
-	delta_h	-47.6976	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Ethylenediamine + H+ = AgH(Ethylenediamine)2+2
+	log_k 8.4
+	delta_h -47.6976 kJ
+	-gamma 0 0
 		#                  Id:	209637
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2
-	log_k	7.32
-	delta_h	-37.656	kJ
-	-gamma	0	0
+	log_k 7.32
+	delta_h -37.656 kJ
+	-gamma 0 0
 		#                  Id:	5409631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2
-	log_k	13.5
-	delta_h	-76.5672	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Ethylenediamine = Ni(Ethylenediamine)2+2
+	log_k 13.5
+	delta_h -76.5672 kJ
+	-gamma 0 0
 		#                  Id:	5409632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2
-	log_k	17.6
-	delta_h	-117.152	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 3 Ethylenediamine = Ni(Ethylenediamine)3+2
+	log_k 17.6
+	delta_h -117.152 kJ
+	-gamma 0 0
 		#                  Id:	5409633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Ethylenediamine = Co(Ethylenediamine)+2
-	log_k	5.5
-	delta_h	-28	kJ
-	-gamma	0	0
+	log_k 5.5
+	delta_h -28 kJ
+	-gamma 0 0
 		#                  Id:	2009631
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2
-	log_k	10.1
-	delta_h	-58.5	kJ
-	-gamma	0	0
+Co+2 + 2 Ethylenediamine = Co(Ethylenediamine)2+2
+	log_k 10.1
+	delta_h -58.5 kJ
+	-gamma 0 0
 		#                  Id:	2009632
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2
-	log_k	13.2
-	delta_h	-92.8	kJ
-	-gamma	0	0
+Co+2 + 3 Ethylenediamine = Co(Ethylenediamine)3+2
+	log_k 13.2
+	delta_h -92.8 kJ
+	-gamma 0 0
 		#                  Id:	2009633
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3
-	log_k	34.7
-	delta_h	0	kJ
-	-gamma	0	0
+Co+3 + 2 Ethylenediamine = Co(Ethylenediamine)2+3
+	log_k 34.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2019631
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
-Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3
-	log_k	48.69
-	delta_h	0	kJ
-	-gamma	0	0
+Co+3 + 3 Ethylenediamine = Co(Ethylenediamine)3+3
+	log_k 48.69
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2019632
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.50 30.0
 Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2
-	log_k	4.26
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.26
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2
-	log_k	7.73
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+2 + 2 Ethylenediamine = Fe(Ethylenediamine)2+2
+	log_k 7.73
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2
-	log_k	10.17
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+2 + 3 Ethylenediamine = Fe(Ethylenediamine)3+2
+	log_k 10.17
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809633
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2
-	log_k	2.74
-	delta_h	-11.7152	kJ
-	-gamma	0	0
+	log_k 2.74
+	delta_h -11.7152 kJ
+	-gamma 0 0
 		#                  Id:	4709631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2
-	log_k	4.8
-	delta_h	-25.104	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Mn+2 + 2 Ethylenediamine = Mn(Ethylenediamine)2+2
+	log_k 4.8
+	delta_h -25.104 kJ
+	-gamma 0 0
 		#                  Id:	4709632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O
-	log_k	22.57
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)2+3 + 2 H2O
+	log_k 22.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O
-	log_k	29
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + 3 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)3+3 + 2 H2O
+	log_k 29
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119632
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2
-	log_k	0.37
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.37
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2
-	log_k	0.11
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.11
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509631
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Propylamine = H(Propylamine)+
-	log_k	10.566
-	delta_h	-57.53	kJ
-	-gamma	0	0
+	log_k 10.566
+	delta_h -57.53 kJ
+	-gamma 0 0
 		#                  Id:	3309641
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Propylamine = Zn(Propylamine)+2
-	log_k	2.42
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.42
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Propylamine = Zn(Propylamine)2+2
-	log_k	4.85
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 2 Propylamine = Zn(Propylamine)2+2
+	log_k 4.85
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Propylamine = Zn(Propylamine)3+2
-	log_k	7.38
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 3 Propylamine = Zn(Propylamine)3+2
+	log_k 7.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Propylamine = Zn(Propylamine)4+2
-	log_k	9.49
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 4 Propylamine = Zn(Propylamine)4+2
+	log_k 9.49
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509644
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cd+2 + Propylamine = Cd(Propylamine)+2
-	log_k	2.62
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.62
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Propylamine = Cd(Propylamine)2+2
-	log_k	4.64
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 2 Propylamine = Cd(Propylamine)2+2
+	log_k 4.64
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Propylamine = Cd(Propylamine)3+2
-	log_k	6.03
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 3 Propylamine = Cd(Propylamine)3+2
+	log_k 6.03
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ag+ + Propylamine = Ag(Propylamine)+
-	log_k	3.45
-	delta_h	-12.552	kJ
-	-gamma	0	0
+	log_k 3.45
+	delta_h -12.552 kJ
+	-gamma 0 0
 		#                  Id:	209641
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Propylamine = Ag(Propylamine)2+
-	log_k	7.44
-	delta_h	-53.1368	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Propylamine = Ag(Propylamine)2+
+	log_k 7.44
+	delta_h -53.1368 kJ
+	-gamma 0 0
 		#                  Id:	209642
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Propylamine = Ni(Propylamine)+2
-	log_k	2.81
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.81
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409641
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Propylamine = Ni(Propylamine)2+2
-	log_k	5.02
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 2 Propylamine = Ni(Propylamine)2+2
+	log_k 5.02
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409642
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Propylamine = Ni(Propylamine)3+2
-	log_k	6.79
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 3 Propylamine = Ni(Propylamine)3+2
+	log_k 6.79
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409643
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Propylamine = Ni(Propylamine)4+2
-	log_k	8.31
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 4 Propylamine = Ni(Propylamine)4+2
+	log_k 8.31
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409644
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Isopropylamine = H(Isopropylamine)+
-	log_k	10.67
-	delta_h	-58.3668	kJ
-	-gamma	0	0
+	log_k 10.67
+	delta_h -58.3668 kJ
+	-gamma 0 0
 		#                  Id:	3309651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Isopropylamine = Zn(Isopropylamine)+2
-	log_k	2.37
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.37
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2
-	log_k	4.67
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 2 Isopropylamine = Zn(Isopropylamine)2+2
+	log_k 4.67
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2
-	log_k	7.14
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 3 Isopropylamine = Zn(Isopropylamine)3+2
+	log_k 7.14
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2
-	log_k	9.44
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 4 Isopropylamine = Zn(Isopropylamine)4+2
+	log_k 9.44
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cd+2 + Isopropylamine = Cd(Isopropylamine)+2
-	log_k	2.55
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2
-	log_k	4.57
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 2 Isopropylamine = Cd(Isopropylamine)2+2
+	log_k 4.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2
-	log_k	6.07
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 3 Isopropylamine = Cd(Isopropylamine)3+2
+	log_k 6.07
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2
-	log_k	6.9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 4 Isopropylamine = Cd(Isopropylamine)4+2
+	log_k 6.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O
-	log_k	14.85
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Hg(OH)2 + Isopropylamine + 2 H+ = Hg(Isopropylamine)+2 + 2 H2O
+	log_k 14.85
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O
-	log_k	24.37
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + 2 Isopropylamine + 2 H+ = Hg(Isopropylamine)2+2 + 2 H2O
+	log_k 24.37
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619652
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Isopropylamine = Ag(Isopropylamine)+
-	log_k	3.67
-	delta_h	-23.8488	kJ
-	-gamma	0	0
+	log_k 3.67
+	delta_h -23.8488 kJ
+	-gamma 0 0
 		#                  Id:	209651
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+
-	log_k	7.77
-	delta_h	-59.8312	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Isopropylamine = Ag(Isopropylamine)2+
+	log_k 7.77
+	delta_h -59.8312 kJ
+	-gamma 0 0
 		#                  Id:	209652
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Isopropylamine = Ni(Isopropylamine)+2
-	log_k	2.71
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.71
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409651
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2
-	log_k	4.86
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 2 Isopropylamine = Ni(Isopropylamine)2+2
+	log_k 4.86
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409652
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2
-	log_k	6.57
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 3 Isopropylamine = Ni(Isopropylamine)3+2
+	log_k 6.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409653
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2
-	log_k	7.83
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 4 Isopropylamine = Ni(Isopropylamine)4+2
+	log_k 7.83
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409654
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2
-	log_k	8.43
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Ni+2 + 5 Isopropylamine = Ni(Isopropylamine)5+2
+	log_k 8.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409655
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Trimethylamine = H(Trimethylamine)+
-	log_k	9.8
-	delta_h	-36.8192	kJ
-	-gamma	0	0
+	log_k 9.8
+	delta_h -36.8192 kJ
+	-gamma 0 0
 		#                  Id:	3309661
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Trimethylamine = Ag(Trimethylamine)+
-	log_k	1.701
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.701
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209661
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Citrate-3 = H(Citrate)-2
-	log_k	6.396
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 6.396
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	3309671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Citrate-3 = H2(Citrate)-
-	log_k	11.157
-	delta_h	1.297	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Citrate-3 = H2(Citrate)-
+	log_k 11.157
+	delta_h 1.297 kJ
+	-gamma 0 0
 		#                  Id:	3309672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Citrate-3 = H3(Citrate)
-	log_k	14.285
-	delta_h	-2.7614	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+3 H+ + Citrate-3 = H3(Citrate)
+	log_k 14.285
+	delta_h -2.7614 kJ
+	-gamma 0 0
 		#                  Id:	3309673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Citrate-3 = Pb(Citrate)-
-	log_k	7.27
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Citrate-3 = Pb(Citrate)2-4
-	log_k	6.53
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Pb+2 + 2 Citrate-3 = Pb(Citrate)2-4
+	log_k 6.53
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Citrate-3 = Al(Citrate)
-	log_k	9.97
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 9.97
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Citrate-3 = Al(Citrate)2-3
-	log_k	14.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Al+3 + 2 Citrate-3 = Al(Citrate)2-3
+	log_k 14.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Citrate-3 + H+ = AlH(Citrate)+
-	log_k	12.85
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.85
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Citrate-3 = Tl(Citrate)-2
-	log_k	1.48
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.48
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Citrate-3 = Zn(Citrate)-
-	log_k	6.21
-	delta_h	8.368	kJ
-	-gamma	0	0
+	log_k 6.21
+	delta_h 8.368 kJ
+	-gamma 0 0
 		#                  Id:	9509671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Citrate-3 = Zn(Citrate)2-4
-	log_k	7.4
-	delta_h	25.104	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Citrate-3 = Zn(Citrate)2-4
+	log_k 7.4
+	delta_h 25.104 kJ
+	-gamma 0 0
 		#                  Id:	9509672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Citrate-3 + H+ = ZnH(Citrate)
-	log_k	10.2
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 10.2
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	9509673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+
-	log_k	12.84
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + Citrate-3 + 2 H+ = ZnH2(Citrate)+
+	log_k 12.84
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509674
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cd+2 + Citrate-3 = Cd(Citrate)-
-	log_k	4.98
-	delta_h	8.368	kJ
-	-gamma	0	0
+	log_k 4.98
+	delta_h 8.368 kJ
+	-gamma 0 0
 		#                  Id:	1609671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Citrate-3 + H+ = CdH(Citrate)
-	log_k	9.44
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 9.44
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	1609672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+
-	log_k	12.9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + Citrate-3 + 2 H+ = CdH2(Citrate)+
+	log_k 12.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Citrate-3 = Cd(Citrate)2-4
-	log_k	5.9
-	delta_h	20.92	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Citrate-3 = Cd(Citrate)2-4
+	log_k 5.9
+	delta_h 20.92 kJ
+	-gamma 0 0
 		#                  Id:	1609674
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O
-	log_k	18.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Citrate-3 + 2 H+ = Hg(Citrate)- + 2 H2O
+	log_k 18.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Citrate-3 = Cu(Citrate)-
-	log_k	7.57
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.57
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+2 + 2Citrate-3 = Cu(Citrate)2-4
-	log_k	8.9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cu+2 + 2 Citrate-3 = Cu(Citrate)2-4
+	log_k 8.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319672
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cu+2 + Citrate-3 + H+ = CuH(Citrate)
-	log_k	10.87
-	delta_h	11.7152	kJ
-	-gamma	0	0
+	log_k 10.87
+	delta_h 11.7152 kJ
+	-gamma 0 0
 		#                  Id:	2319673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+
-	log_k	13.23
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + Citrate-3 + 2 H+ = CuH2(Citrate)+
+	log_k 13.23
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319674
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2
-	log_k	16.9
-	delta_h	41.84	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+2 Cu+2 + 2 Citrate-3 = Cu2(Citrate)2-2
+	log_k 16.9
+	delta_h 41.84 kJ
+	-gamma 0 0
 		#                  Id:	2319675
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Citrate-3 = Ni(Citrate)-
-	log_k	6.59
-	delta_h	16.736	kJ
-	-gamma	0	0
+	log_k 6.59
+	delta_h 16.736 kJ
+	-gamma 0 0
 		#                  Id:	5409671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Citrate-3 + H+ = NiH(Citrate)
-	log_k	10.5
-	delta_h	15.8992	kJ
-	-gamma	0	0
+	log_k 10.5
+	delta_h 15.8992 kJ
+	-gamma 0 0
 		#                  Id:	5409672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+
-	log_k	13.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + Citrate-3 + 2 H+ = NiH2(Citrate)+
+	log_k 13.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Citrate-3 = Ni(Citrate)2-4
-	log_k	8.77
-	delta_h	12.552	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Citrate-3 = Ni(Citrate)2-4
+	log_k 8.77
+	delta_h 12.552 kJ
+	-gamma 0 0
 		#                  Id:	5409674
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3
-	log_k	14.9
-	delta_h	32.6352	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Citrate-3 + H+ = NiH(Citrate)2-3
+	log_k 14.9
+	delta_h 32.6352 kJ
+	-gamma 0 0
 		#                  Id:	5409675
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Citrate-3 = Co(Citrate)-
-	log_k	6.1867
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.1867
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Co+2 + H+ + Citrate-3 = CoHCitrate
-	log_k	10.4438
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 10.4438
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 2H+ + Citrate-3 = CoH2Citrate+
-	log_k	12.7859
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 H+ + Citrate-3 = CoH2Citrate+
+	log_k 12.7859
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009673
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Fe+2 + Citrate-3 = Fe(Citrate)-
-	log_k	6.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+2 + Citrate-3 + H+ = FeH(Citrate)
-	log_k	10.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 10.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Citrate-3 = Fe(Citrate)
-	log_k	13.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Citrate-3 + H+ = FeH(Citrate)+
-	log_k	14.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Citrate-3 = Mn(Citrate)-
-	log_k	4.28
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.28
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Mn+2 + Citrate-3 + H+ = MnH(Citrate)
-	log_k	9.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 9.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Be+2 + Citrate-3 = Be(Citrate)-
-	log_k	5.534
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.534
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
 Be+2 + H+ + Citrate-3 = BeH(Citrate)
-	log_k	9.442
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 9.442
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
 Ca+2 + Citrate-3 = Ca(Citrate)-
-	log_k	4.87
-	delta_h	-8.368	kJ
-	-gamma	0	0
+	log_k 4.87
+	delta_h -8.368 kJ
+	-gamma 0 0
 		#                  Id:	1509671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Citrate-3 + H+ = CaH(Citrate)
-	log_k	9.26
-	delta_h	-0.8368	kJ
-	-gamma	0	0
+	log_k 9.26
+	delta_h -0.8368 kJ
+	-gamma 0 0
 		#                  Id:	1509672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+
-	log_k	12.257
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ca+2 + Citrate-3 + 2 H+ = CaH2(Citrate)+
+	log_k 12.257
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Mg+2 + Citrate-3 = Mg(Citrate)-
-	log_k	4.89
-	delta_h	8.368	kJ
-	-gamma	0	0
+	log_k 4.89
+	delta_h 8.368 kJ
+	-gamma 0 0
 		#                  Id:	4609671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Citrate-3 + H+ = MgH(Citrate)
-	log_k	8.91
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 8.91
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	4609672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+
-	log_k	12.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Mg+2 + Citrate-3 + 2 H+ = MgH2(Citrate)+
+	log_k 12.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Sr+2 + Citrate-3 = Sr(Citrate)-
-	log_k	4.3367
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.3367
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009671
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Sr+2 + H+ + Citrate-3 = SrH(Citrate)
-	log_k	8.9738
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.9738
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009672
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+
-	log_k	12.4859
-	delta_h	0	kJ
-	-gamma	0	0
+Sr+2 + 2 H+ + Citrate-3 = SrH2(Citrate)+
+	log_k 12.4859
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009673
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Citrate-3 = Ba(Citrate)-
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ba+2 + Citrate-3 + H+ = BaH(Citrate)
-	log_k	8.74
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.74
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009672
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+
-	log_k	12.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ba+2 + Citrate-3 + 2 H+ = BaH2(Citrate)+
+	log_k 12.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009673
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Na+ + Citrate-3 = Na(Citrate)-2
-	log_k	1.03
-	delta_h	-2.8033	kJ
-	-gamma	0	0
+	log_k 1.03
+	delta_h -2.8033 kJ
+	-gamma 0 0
 		#                  Id:	5009671
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Na+ + Citrate-3 = Na2(Citrate)-
-	log_k	1.5
-	delta_h	-5.1045	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+2 Na+ + Citrate-3 = Na2(Citrate)-
+	log_k 1.5
+	delta_h -5.1045 kJ
+	-gamma 0 0
 		#                  Id:	5009672
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Na+ + Citrate-3 + H+ = NaH(Citrate)-
-	log_k	6.45
-	delta_h	-3.5982	kJ
-	-gamma	0	0
+	log_k 6.45
+	delta_h -3.5982 kJ
+	-gamma 0 0
 		#                  Id:	5009673
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 K+ + Citrate-3 = K(Citrate)-2
-	log_k	1.1
-	delta_h	5.4392	kJ
-	-gamma	0	0
+	log_k 1.1
+	delta_h 5.4392 kJ
+	-gamma 0 0
 		#                  Id:	4109671
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Nta-3 = H(Nta)-2
-	log_k	10.278
-	delta_h	-18.828	kJ
-	-gamma	0	0
+	log_k 10.278
+	delta_h -18.828 kJ
+	-gamma 0 0
 		#                  Id:	3309681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Nta-3 = H2(Nta)-
-	log_k	13.22
-	delta_h	-17.9912	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Nta-3 = H2(Nta)-
+	log_k 13.22
+	delta_h -17.9912 kJ
+	-gamma 0 0
 		#                  Id:	3309682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Nta-3 = H3(Nta)
-	log_k	15.22
-	delta_h	-16.3176	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+3 H+ + Nta-3 = H3(Nta)
+	log_k 15.22
+	delta_h -16.3176 kJ
+	-gamma 0 0
 		#                  Id:	3309683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-4H+ + Nta-3 = H4(Nta)+
-	log_k	16.22
-	delta_h	-16.3176	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+4 H+ + Nta-3 = H4(Nta)+
+	log_k 16.22
+	delta_h -16.3176 kJ
+	-gamma 0 0
 		#                  Id:	3309684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Nta-3 = Pb(Nta)-
-	log_k	12.7
-	delta_h	-15.8992	kJ
-	-gamma	0	0
+	log_k 12.7
+	delta_h -15.8992 kJ
+	-gamma 0 0
 		#                  Id:	6009681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Nta-3 + H+ = PbH(Nta)
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Nta-3 = Al(Nta)
-	log_k	13.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Nta-3 + H+ = AlH(Nta)+
-	log_k	15.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+
-	log_k	8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Nta-3 = Tl(Nta)-2
-	log_k	5.39
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.39
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Nta-3 = Zn(Nta)-
-	log_k	11.95
-	delta_h	-3.7656	kJ
-	-gamma	0	0
+	log_k 11.95
+	delta_h -3.7656 kJ
+	-gamma 0 0
 		#                  Id:	9509681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Nta-3 = Zn(Nta)2-4
-	log_k	14.88
-	delta_h	-15.0624	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Nta-3 = Zn(Nta)2-4
+	log_k 14.88
+	delta_h -15.0624 kJ
+	-gamma 0 0
 		#                  Id:	9509682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+
-	log_k	1.46
-	delta_h	46.4424	kJ
-	-gamma	0	0
+	log_k 1.46
+	delta_h 46.4424 kJ
+	-gamma 0 0
 		#                  Id:	9509683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Nta-3 = Cd(Nta)-
-	log_k	11.07
-	delta_h	-16.736	kJ
-	-gamma	0	0
+	log_k 11.07
+	delta_h -16.736 kJ
+	-gamma 0 0
 		#                  Id:	1609681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Nta-3 = Cd(Nta)2-4
-	log_k	15.03
-	delta_h	-38.0744	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Nta-3 = Cd(Nta)2-4
+	log_k 15.03
+	delta_h -38.0744 kJ
+	-gamma 0 0
 		#                  Id:	1609682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+
-	log_k	-0.61
-	delta_h	29.288	kJ
-	-gamma	0	0
+	log_k -0.61
+	delta_h 29.288 kJ
+	-gamma 0 0
 		#                  Id:	1609683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O
-	log_k	21.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Nta-3 + 2 H+ = Hg(Nta)- + 2 H2O
+	log_k 21.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Nta-3 = Cu(Nta)-
-	log_k	14.4
-	delta_h	-7.9496	kJ
-	-gamma	0	0
+	log_k 14.4
+	delta_h -7.9496 kJ
+	-gamma 0 0
 		#                  Id:	2319681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Nta-3 = Cu(Nta)2-4
-	log_k	18.1
-	delta_h	-37.2376	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Nta-3 = Cu(Nta)2-4
+	log_k 18.1
+	delta_h -37.2376 kJ
+	-gamma 0 0
 		#                  Id:	2319682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Nta-3 + H+ = CuH(Nta)
-	log_k	16.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 16.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+
-	log_k	4.8
-	delta_h	25.5224	kJ
-	-gamma	0	0
+	log_k 4.8
+	delta_h 25.5224 kJ
+	-gamma 0 0
 		#                  Id:	2319684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Nta-3 = Ag(Nta)-2
-	log_k	6
-	delta_h	-26.3592	kJ
-	-gamma	0	0
+	log_k 6
+	delta_h -26.3592 kJ
+	-gamma 0 0
 		#                  Id:	209681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Nta-3 = Ni(Nta)-
-	log_k	12.79
-	delta_h	-10.0416	kJ
-	-gamma	0	0
+	log_k 12.79
+	delta_h -10.0416 kJ
+	-gamma 0 0
 		#                  Id:	5409681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Nta-3 = Ni(Nta)2-4
-	log_k	16.96
-	delta_h	-32.6352	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Nta-3 = Ni(Nta)2-4
+	log_k 16.96
+	delta_h -32.6352 kJ
+	-gamma 0 0
 		#                  Id:	5409682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+
-	log_k	1.5
-	delta_h	15.0624	kJ
-	-gamma	0	0
+	log_k 1.5
+	delta_h 15.0624 kJ
+	-gamma 0 0
 		#                  Id:	5409683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Nta-3 = Co(Nta)-
-	log_k	11.6667
-	delta_h	-0.4	kJ
-	-gamma	0	0
+	log_k 11.6667
+	delta_h -0.4 kJ
+	-gamma 0 0
 		#                  Id:	2009681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Nta-3 = Co(Nta)2-4
-	log_k	14.9734
-	delta_h	-20	kJ
-	-gamma	0	0
+Co+2 + 2 Nta-3 = Co(Nta)2-4
+	log_k 14.9734
+	delta_h -20 kJ
+	-gamma 0 0
 		#                  Id:	2009682
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+
-	log_k	0.4378
-	delta_h	45.6	kJ
-	-gamma	0	0
+	log_k 0.4378
+	delta_h 45.6 kJ
+	-gamma 0 0
 		#                  Id:	2009683
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Fe+2 + Nta-3 = Fe(Nta)-
-	log_k	10.19
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 10.19
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Nta-3 = Fe(Nta)2-4
-	log_k	12.62
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+2 + 2 Nta-3 = Fe(Nta)2-4
+	log_k 12.62
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+2 + Nta-3 + H+ = FeH(Nta)
-	log_k	12.29
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 12.29
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+
-	log_k	-1.06
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -1.06
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809684
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Nta-3 = Fe(Nta)
-	log_k	17.8
-	delta_h	13.3888	kJ
-	-gamma	0	0
+	log_k 17.8
+	delta_h 13.3888 kJ
+	-gamma 0 0
 		#                  Id:	2819681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + 2Nta-3 = Fe(Nta)2-3
-	log_k	25.9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+3 + 2 Nta-3 = Fe(Nta)2-3
+	log_k 25.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+
-	log_k	13.23
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.23
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819683
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Nta-3 = Mn(Nta)-
-	log_k	8.573
-	delta_h	5.8576	kJ
-	-gamma	0	0
+	log_k 8.573
+	delta_h 5.8576 kJ
+	-gamma 0 0
 		#                  Id:	4709681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Nta-3 = Mn(Nta)2-4
-	log_k	11.58
-	delta_h	-17.1544	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Mn+2 + 2 Nta-3 = Mn(Nta)2-4
+	log_k 11.58
+	delta_h -17.1544 kJ
+	-gamma 0 0
 		#                  Id:	4709682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O
-	log_k	21.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + Nta-3 + 2 H+ = Cr(Nta) + 2 H2O
+	log_k 21.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119681
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O
-	log_k	29.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Nta-3 + 2 H+ = Cr(Nta)2-3 + 2 H2O
+	log_k 29.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119682
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O
-	log_k	19.5434
-	delta_h	-69	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+MoO4-2 + 2 H+ + Nta-3 = MoO3(Nta)-3 + H2O
+	log_k 19.5434
+	delta_h -69 kJ
+	-gamma 0 0
 		#                  Id:	4809681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O
-	log_k	23.3954
-	delta_h	-71	kJ
-	-gamma	0	0
+MoO4-2 + 3 H+ + Nta-3 = MoO3H(Nta)-2 + H2O
+	log_k 23.3954
+	delta_h -71 kJ
+	-gamma 0 0
 		#                  Id:	4809682
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 1.00 25.0
-MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O
-	log_k	25.3534
-	delta_h	-71	kJ
-	-gamma	0	0
+MoO4-2 + 4 H+ + Nta-3 = MoO3H2(Nta)- + H2O
+	log_k 25.3534
+	delta_h -71 kJ
+	-gamma 0 0
 		#                  Id:	4809683
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 1.00 25.0
 Be+2 + Nta-3 = Be(Nta)-
-	log_k	9.0767
-	delta_h	25	kJ
-	-gamma	0	0
+	log_k 9.0767
+	delta_h 25 kJ
+	-gamma 0 0
 		#                  Id:	1109681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + Nta-3 = Mg(Nta)-
-	log_k	6.5
-	delta_h	17.9912	kJ
-	-gamma	0	0
+	log_k 6.5
+	delta_h 17.9912 kJ
+	-gamma 0 0
 		#                  Id:	4609681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Nta-3 = Ca(Nta)-
-	log_k	7.608
-	delta_h	-5.6902	kJ
-	-gamma	0	0
+	log_k 7.608
+	delta_h -5.6902 kJ
+	-gamma 0 0
 		#                  Id:	1509681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ca+2 + 2Nta-3 = Ca(Nta)2-4
-	log_k	8.81
-	delta_h	-32.6352	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ca+2 + 2 Nta-3 = Ca(Nta)2-4
+	log_k 8.81
+	delta_h -32.6352 kJ
+	-gamma 0 0
 		#                  Id:	1509682
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Nta-3 = Sr(Nta)-
-	log_k	6.2767
-	delta_h	-2.2	kJ
-	-gamma	0	0
+	log_k 6.2767
+	delta_h -2.2 kJ
+	-gamma 0 0
 		#                  Id:	8009681
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Nta-3 = Ba(Nta)-
-	log_k	5.875
-	delta_h	-6.025	kJ
-	-gamma	0	0
+	log_k 5.875
+	delta_h -6.025 kJ
+	-gamma 0 0
 		#                  Id:	1009681
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Edta-4 = H(Edta)-3
-	log_k	10.948
-	delta_h	-23.4304	kJ
-	-gamma	0	0
+	log_k 10.948
+	delta_h -23.4304 kJ
+	-gamma 0 0
 		#                  Id:	3309691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Edta-4 = H2(Edta)-2
-	log_k	17.221
-	delta_h	-41.0032	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Edta-4 = H2(Edta)-2
+	log_k 17.221
+	delta_h -41.0032 kJ
+	-gamma 0 0
 		#                  Id:	3309692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Edta-4 = H3(Edta)-
-	log_k	20.34
-	delta_h	-35.564	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+3 H+ + Edta-4 = H3(Edta)-
+	log_k 20.34
+	delta_h -35.564 kJ
+	-gamma 0 0
 		#                  Id:	3309693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-4H+ + Edta-4 = H4(Edta)
-	log_k	22.5
-	delta_h	-34.3088	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+4 H+ + Edta-4 = H4(Edta)
+	log_k 22.5
+	delta_h -34.3088 kJ
+	-gamma 0 0
 		#                  Id:	3309694
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-5H+ + Edta-4 = H5(Edta)+
-	log_k	24
-	delta_h	-32.2168	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+5 H+ + Edta-4 = H5(Edta)+
+	log_k 24
+	delta_h -32.2168 kJ
+	-gamma 0 0
 		#                  Id:	3309695
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O
-	log_k	27.026
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Sn(OH)2 + 2 H+ + Edta-4 = Sn(Edta)-2 + 2 H2O
+	log_k 27.026
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 20.0
-Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O
-	log_k	29.934
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 3 H+ + Edta-4 = SnH(Edta)- + 2 H2O
+	log_k 29.934
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 20.0
-Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O
-	log_k	31.638
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 4 H+ + Edta-4 = SnH2(Edta) + 2 H2O
+	log_k 31.638
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909693
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 20.0
 Pb+2 + Edta-4 = Pb(Edta)-2
-	log_k	19.8
-	delta_h	-54.8104	kJ
-	-gamma	0	0
+	log_k 19.8
+	delta_h -54.8104 kJ
+	-gamma 0 0
 		#                  Id:	6009691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Edta-4 + H+ = PbH(Edta)-
-	log_k	23
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 23
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + Edta-4 + 2H+ = PbH2(Edta)
-	log_k	24.9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Pb+2 + Edta-4 + 2 H+ = PbH2(Edta)
+	log_k 24.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Edta-4 = Al(Edta)-
-	log_k	19.1
-	delta_h	52.7184	kJ
-	-gamma	0	0
+	log_k 19.1
+	delta_h 52.7184 kJ
+	-gamma 0 0
 		#                  Id:	309690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Edta-4 + H+ = AlH(Edta)
-	log_k	21.8
-	delta_h	36.4008	kJ
-	-gamma	0	0
+	log_k 21.8
+	delta_h 36.4008 kJ
+	-gamma 0 0
 		#                  Id:	309691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+
-	log_k	12.8
-	delta_h	73.6384	kJ
-	-gamma	0	0
+	log_k 12.8
+	delta_h 73.6384 kJ
+	-gamma 0 0
 		#                  Id:	309692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Edta-4 = Tl(Edta)-3
-	log_k	7.27
-	delta_h	-43.5136	kJ
-	-gamma	0	0
+	log_k 7.27
+	delta_h -43.5136 kJ
+	-gamma 0 0
 		#                  Id:	8709691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Edta-4 + H+ = TlH(Edta)-2
-	log_k	13.68
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.68
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Edta-4 = Zn(Edta)-2
-	log_k	18
-	delta_h	-19.2464	kJ
-	-gamma	0	0
+	log_k 18
+	delta_h -19.2464 kJ
+	-gamma 0 0
 		#                  Id:	9509691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Edta-4 + H+ = ZnH(Edta)-
-	log_k	21.4
-	delta_h	-28.4512	kJ
-	-gamma	0	0
+	log_k 21.4
+	delta_h -28.4512 kJ
+	-gamma 0 0
 		#                  Id:	9509692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+
-	log_k	5.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Edta-4 = Cd(Edta)-2
-	log_k	18.2
-	delta_h	-38.0744	kJ
-	-gamma	0	0
+	log_k 18.2
+	delta_h -38.0744 kJ
+	-gamma 0 0
 		#                  Id:	1609691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Edta-4 + H+ = CdH(Edta)-
-	log_k	21.5
-	delta_h	-39.748	kJ
-	-gamma	0	0
+	log_k 21.5
+	delta_h -39.748 kJ
+	-gamma 0 0
 		#                  Id:	1609692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O
-	log_k	29.3
-	delta_h	-125.102	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Edta-4 + 2 H+ = Hg(Edta)-2 + 2 H2O
+	log_k 29.3
+	delta_h -125.102 kJ
+	-gamma 0 0
 		#                  Id:	3619691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O
-	log_k	32.9
-	delta_h	-128.449	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Edta-4 + 3 H+ = HgH(Edta)- + 2 H2O
+	log_k 32.9
+	delta_h -128.449 kJ
+	-gamma 0 0
 		#                  Id:	3619692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Edta-4 = Cu(Edta)-2
-	log_k	20.5
-	delta_h	-34.7272	kJ
-	-gamma	0	0
+	log_k 20.5
+	delta_h -34.7272 kJ
+	-gamma 0 0
 		#                  Id:	2319691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Edta-4 + H+ = CuH(Edta)-
-	log_k	24
-	delta_h	-43.0952	kJ
-	-gamma	0	0
+	log_k 24
+	delta_h -43.0952 kJ
+	-gamma 0 0
 		#                  Id:	2319692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + Edta-4 + 2H+ = CuH2(Edta)
-	log_k	26.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + Edta-4 + 2 H+ = CuH2(Edta)
+	log_k 26.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319694
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Edta-4 = Ag(Edta)-3
-	log_k	8.08
-	delta_h	-31.38	kJ
-	-gamma	0	0
+	log_k 8.08
+	delta_h -31.38 kJ
+	-gamma 0 0
 		#                  Id:	209691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Edta-4 + H+ = AgH(Edta)-2
-	log_k	15.21
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.21
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ni+2 + Edta-4 = Ni(Edta)-2
-	log_k	20.1
-	delta_h	-30.9616	kJ
-	-gamma	0	0
+	log_k 20.1
+	delta_h -30.9616 kJ
+	-gamma 0 0
 		#                  Id:	5409691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Edta-4 + H+ = NiH(Edta)-
-	log_k	23.6
-	delta_h	-38.4928	kJ
-	-gamma	0	0
+	log_k 23.6
+	delta_h -38.4928 kJ
+	-gamma 0 0
 		#                  Id:	5409692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+
-	log_k	7.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Edta-4 = Co(Edta)-2
-	log_k	18.1657
-	delta_h	-15	kJ
-	-gamma	0	0
+	log_k 18.1657
+	delta_h -15 kJ
+	-gamma 0 0
 		#                  Id:	2009691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Co+2 + Edta-4 + H+ = CoH(Edta)-
-	log_k	21.5946
-	delta_h	-22.9	kJ
-	-gamma	0	0
+	log_k 21.5946
+	delta_h -22.9 kJ
+	-gamma 0 0
 		#                  Id:	2009692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Co+2 + Edta-4 + 2H+ = CoH2(Edta)
-	log_k	23.4986
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + Edta-4 + 2 H+ = CoH2(Edta)
+	log_k 23.4986
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009693
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
 Co+3 + Edta-4 = Co(Edta)-
-	log_k	43.9735
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 43.9735
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2019691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Co+3 + Edta-4 + H+ = CoH(Edta)
-	log_k	47.168
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 47.168
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2019692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Fe+2 + Edta-4 = Fe(Edta)-2
-	log_k	16
-	delta_h	-16.736	kJ
-	-gamma	0	0
+	log_k 16
+	delta_h -16.736 kJ
+	-gamma 0 0
 		#                  Id:	2809690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+2 + Edta-4 + H+ = FeH(Edta)-
-	log_k	19.06
-	delta_h	-27.6144	kJ
-	-gamma	0	0
+	log_k 19.06
+	delta_h -27.6144 kJ
+	-gamma 0 0
 		#                  Id:	2809691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809692
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+
-	log_k	-4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Fe+2 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4 + 2 H+
+	log_k -4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Fe+3 + Edta-4 = Fe(Edta)-
-	log_k	27.7
-	delta_h	-11.2968	kJ
-	-gamma	0	0
+	log_k 27.7
+	delta_h -11.2968 kJ
+	-gamma 0 0
 		#                  Id:	2819690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Edta-4 + H+ = FeH(Edta)
-	log_k	29.2
-	delta_h	-11.7152	kJ
-	-gamma	0	0
+	log_k 29.2
+	delta_h -11.7152 kJ
+	-gamma 0 0
 		#                  Id:	2819691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+
-	log_k	19.9
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 19.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+
-	log_k	9.85
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+3 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3 + 2 H+
+	log_k 9.85
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819693
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Mn+2 + Edta-4 = Mn(Edta)-2
-	log_k	15.6
-	delta_h	-19.2464	kJ
-	-gamma	0	0
+	log_k 15.6
+	delta_h -19.2464 kJ
+	-gamma 0 0
 		#                  Id:	4709691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Edta-4 + H+ = MnH(Edta)-
-	log_k	19.1
-	delta_h	-24.2672	kJ
-	-gamma	0	0
+	log_k 19.1
+	delta_h -24.2672 kJ
+	-gamma 0 0
 		#                  Id:	4709692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cr+2 + Edta-4 = Cr(Edta)-2
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2109691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cr+2 + Edta-4 + H+ = CrH(Edta)-
-	log_k	19.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 19.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2109692
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O
-	log_k	35.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + Edta-4 + 2 H+ = Cr(Edta)- + 2 H2O
+	log_k 35.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O
-	log_k	37.4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + Edta-4 + 3 H+ = CrH(Edta) + 2 H2O
+	log_k 37.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119692
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O
-	log_k	27.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 27.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119693
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Be+2 + Edta-4 = Be(Edta)-2
-	log_k	11.4157
-	delta_h	41	kJ
-	-gamma	0	0
+	log_k 11.4157
+	delta_h 41 kJ
+	-gamma 0 0
 		#                  Id:	1109691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + Edta-4 = Mg(Edta)-2
-	log_k	10.57
-	delta_h	13.8072	kJ
-	-gamma	0	0
+	log_k 10.57
+	delta_h 13.8072 kJ
+	-gamma 0 0
 		#                  Id:	4609690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Edta-4 + H+ = MgH(Edta)-
-	log_k	14.97
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.97
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Edta-4 = Ca(Edta)-2
-	log_k	12.42
-	delta_h	-25.5224	kJ
-	-gamma	0	0
+	log_k 12.42
+	delta_h -25.5224 kJ
+	-gamma 0 0
 		#                  Id:	1509690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Edta-4 + H+ = CaH(Edta)-
-	log_k	15.9
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509691
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Edta-4 = Sr(Edta)-2
-	log_k	10.4357
-	delta_h	-17	kJ
-	-gamma	0	0
+	log_k 10.4357
+	delta_h -17 kJ
+	-gamma 0 0
 		#                  Id:	8009691
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Sr+2 + Edta-4 + H+ = SrH(Edta)-
-	log_k	14.7946
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.7946
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009692
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Ba+2 + Edta-4 = Ba(Edta)-2
-	log_k	7.72
-	delta_h	-20.5016	kJ
-	-gamma	0	0
+	log_k 7.72
+	delta_h -20.5016 kJ
+	-gamma 0 0
 		#                  Id:	1009691
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Na+ + Edta-4 = Na(Edta)-3
-	log_k	2.7
-	delta_h	-5.8576	kJ
-	-gamma	0	0
+	log_k 2.7
+	delta_h -5.8576 kJ
+	-gamma 0 0
 		#                  Id:	5009690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 K+ + Edta-4 = K(Edta)-3
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4109690
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Propionate- = H(Propionate)
-	log_k	4.874
-	delta_h	0.66	kJ
-	-gamma	0	0
+	log_k 4.874
+	delta_h 0.66 kJ
+	-gamma 0 0
 		#                  Id:	3309711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Pb+2 + Propionate- = Pb(Propionate)+
-	log_k	2.64
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.64
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.00 35.0
-Pb+2 + 2Propionate- = Pb(Propionate)2
-	log_k	3.1765
-	delta_h	0	kJ
-	-gamma	0	0
+Pb+2 + 2 Propionate- = Pb(Propionate)2
+	log_k 3.1765
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 2.00 25.0
 Zn+2 + Propionate- = Zn(Propionate)+
-	log_k	1.4389
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4389
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Zn+2 + 2Propionate- = Zn(Propionate)2
-	log_k	1.842
-	delta_h	0	kJ
-	-gamma	0	0
+Zn+2 + 2 Propionate- = Zn(Propionate)2
+	log_k 1.842
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
 Cd+2 + Propionate- = Cd(Propionate)+
-	log_k	1.598
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.598
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
-Cd+2 + 2Propionate- = Cd(Propionate)2
-	log_k	2.472
-	delta_h	0	kJ
-	-gamma	0	0
+Cd+2 + 2 Propionate- = Cd(Propionate)2
+	log_k 2.472
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 25.0
-Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O
-	log_k	10.594
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + Propionate- = Hg(Propionate)+ + 2 H2O
+	log_k 10.594
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Cu+2 + Propionate- = Cu(Propionate)+
-	log_k	2.22
-	delta_h	4.1	kJ
-	-gamma	0	0
+	log_k 2.22
+	delta_h 4.1 kJ
+	-gamma 0 0
 		#                  Id:	2319711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Propionate- = Cu(Propionate)2
-	log_k	3.5
-	delta_h	0	kJ
-	-gamma	0	0
+Cu+2 + 2 Propionate- = Cu(Propionate)2
+	log_k 3.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + Propionate- = Ni(Propionate)+
-	log_k	0.908
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.908
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 1.00 25.0
 Co+2 + Propionate- = Co(Propionate)+
-	log_k	0.671
-	delta_h	4.6	kJ
-	-gamma	0	0
+	log_k 0.671
+	delta_h 4.6 kJ
+	-gamma 0 0
 		#                  Id:	2009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Propionate- = Co(Propionate)2
-	log_k	0.5565
-	delta_h	16	kJ
-	-gamma	0	0
+Co+2 + 2 Propionate- = Co(Propionate)2
+	log_k 0.5565
+	delta_h 16 kJ
+	-gamma 0 0
 		#                  Id:	2009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 2.00 25.0
 Fe+3 + Propionate- = Fe(Propionate)+2
-	log_k	4.012
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.012
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 20.0
-Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O
-	log_k	15.0773
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + Propionate- = Cr(Propionate)+2 + 2 H2O
+	log_k 15.0773
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O
-	log_k	17.9563
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + 2 Propionate- = Cr(Propionate)2+ + 2 H2O
+	log_k 17.9563
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O
-	log_k	20.8858
-	delta_h	0	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + 3 Propionate- = Cr(Propionate)3 + 2 H2O
+	log_k 20.8858
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119713
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.50 25.0
 Mg+2 + Propionate- = Mg(Propionate)+
-	log_k	0.9689
-	delta_h	4.2677	kJ
-	-gamma	0	0
+	log_k 0.9689
+	delta_h 4.2677 kJ
+	-gamma 0 0
 		#                  Id:	4609710
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
 Ca+2 + Propionate- = Ca(Propionate)+
-	log_k	0.9289
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 0.9289
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	1509710
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
 Sr+2 + Propionate- = Sr(Propionate)+
-	log_k	0.8589
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.8589
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Propionate- = Ba(Propionate)+
-	log_k	0.7689
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.7689
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009711
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
-Ba+2 + 2Propionate- = Ba(Propionate)2
-	log_k	0.9834
-	delta_h	0	kJ
-	-gamma	0	0
+Ba+2 + 2 Propionate- = Ba(Propionate)2
+	log_k 0.9834
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009712
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
 H+ + Butyrate- = H(Butyrate)
-	log_k	4.819
-	delta_h	2.8	kJ
-	-gamma	0	0
+	log_k 4.819
+	delta_h 2.8 kJ
+	-gamma 0 0
 		#                  Id:	3309721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Pb+2 + Butyrate- = Pb(Butyrate)+
-	log_k	2.101
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.101
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 2.00 25.0
 Zn+2 + Butyrate- = Zn(Butyrate)+
-	log_k	1.4289
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4289
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O
-	log_k	10.3529
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + Butyrate- = Hg(Butyrate)+ + 2 H2O
+	log_k 10.3529
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Cu+2 + Butyrate- = Cu(Butyrate)+
-	log_k	2.14
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.14
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + Butyrate- = Ni(Butyrate)+
-	log_k	0.691
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.691
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 2.00 25.0
 Co+2 + Butyrate- = Co(Butyrate)+
-	log_k	0.591
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.591
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
-Co+2 + 2Butyrate- = Co(Butyrate)2
-	log_k	0.7765
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Butyrate- = Co(Butyrate)2
+	log_k 0.7765
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009722
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
 Mg+2 + Butyrate- = Mg(Butyrate)+
-	log_k	0.9589
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.9589
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609720
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
 Ca+2 + Butyrate- = Ca(Butyrate)+
-	log_k	0.9389
-	delta_h	3.3472	kJ
-	-gamma	0	0
+	log_k 0.9389
+	delta_h 3.3472 kJ
+	-gamma 0 0
 		#                  Id:	1509720
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
 Sr+2 + Butyrate- = Sr(Butyrate)+
-	log_k	0.7889
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.7889
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Butyrate- = Ba(Butyrate)+
-	log_k	0.7389
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.7389
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009721
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 0.10 25.0
-Ba+2 + 2Butyrate- = Ba(Butyrate)2
-	log_k	0.88
-	delta_h	0	kJ
-	-gamma	0	0
+Ba+2 + 2 Butyrate- = Ba(Butyrate)2
+	log_k 0.88
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009722
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Isobutyrate- = H(Isobutyrate)
-	log_k	4.849
-	delta_h	3.2217	kJ
-	-gamma	0	0
+	log_k 4.849
+	delta_h 3.2217 kJ
+	-gamma 0 0
 		#                  Id:	3309731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Isobutyrate- = Zn(Isobutyrate)+
-	log_k	1.44
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.44
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Isobutyrate- = Cu(Isobutyrate)+
-	log_k	2.17
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.17
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2
-	log_k	3.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Isobutyrate- = Cu(Isobutyrate)2
+	log_k 3.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319732
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2
-	log_k	4.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819731
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Isobutyrate- = Ca(Isobutyrate)+
-	log_k	0.51
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.51
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509731
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Two_picoline = H(Two_picoline)+
-	log_k	5.95
-	delta_h	-25.5224	kJ
-	-gamma	0	0
+	log_k 5.95
+	delta_h -25.5224 kJ
+	-gamma 0 0
 		#                  Id:	3309801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Two_picoline = Cu(Two_picoline)+2
-	log_k	1.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2
-	log_k	2.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Two_picoline = Cu(Two_picoline)2+2
+	log_k 2.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+ + Two_picoline = Cu(Two_picoline)+
-	log_k	5.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Two_picoline = Cu(Two_picoline)2+
-	log_k	7.65
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 2 Two_picoline = Cu(Two_picoline)2+
+	log_k 7.65
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Two_picoline = Cu(Two_picoline)3+
-	log_k	8.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 3 Two_picoline = Cu(Two_picoline)3+
+	log_k 8.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309803
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Two_picoline = Ag(Two_picoline)+
-	log_k	2.32
-	delta_h	-24.2672	kJ
-	-gamma	0	0
+	log_k 2.32
+	delta_h -24.2672 kJ
+	-gamma 0 0
 		#                  Id:	209801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Two_picoline = Ag(Two_picoline)2+
-	log_k	4.68
-	delta_h	-42.6768	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Two_picoline = Ag(Two_picoline)2+
+	log_k 4.68
+	delta_h -42.6768 kJ
+	-gamma 0 0
 		#                  Id:	209802
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Two_picoline = Ni(Two_picoline)+2
-	log_k	0.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409801
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Three_picoline = H(Three_picoline)+
-	log_k	5.7
-	delta_h	-23.8488	kJ
-	-gamma	0	0
+	log_k 5.7
+	delta_h -23.8488 kJ
+	-gamma 0 0
 		#                  Id:	3309811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Three_picoline = Zn(Three_picoline)+2
-	log_k	1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2
-	log_k	2.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Three_picoline = Zn(Three_picoline)2+2
+	log_k 2.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2
-	log_k	2.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 3 Three_picoline = Zn(Three_picoline)3+2
+	log_k 2.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2
-	log_k	3.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 4 Three_picoline = Zn(Three_picoline)4+2
+	log_k 3.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Three_picoline = Cd(Three_picoline)+2
-	log_k	1.42
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.42
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609811
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2
-	log_k	2.27
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 2 Three_picoline = Cd(Three_picoline)2+2
+	log_k 2.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609812
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2
-	log_k	3.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 3 Three_picoline = Cd(Three_picoline)3+2
+	log_k 3.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 4 Three_picoline = Cd(Three_picoline)4+2
+	log_k 4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+ + Three_picoline = Cu(Three_picoline)+
-	log_k	5.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Three_picoline = Cu(Three_picoline)2+
-	log_k	7.78
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 2 Three_picoline = Cu(Three_picoline)2+
+	log_k 7.78
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Three_picoline = Cu(Three_picoline)3+
-	log_k	8.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 3 Three_picoline = Cu(Three_picoline)3+
+	log_k 8.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 4Three_picoline = Cu(Three_picoline)4+
-	log_k	9
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 4 Three_picoline = Cu(Three_picoline)4+
+	log_k 9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Three_picoline = Cu(Three_picoline)+2
-	log_k	2.77
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.77
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2
-	log_k	4.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Three_picoline = Cu(Three_picoline)2+2
+	log_k 4.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2
-	log_k	6.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 3 Three_picoline = Cu(Three_picoline)3+2
+	log_k 6.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 4 Three_picoline = Cu(Three_picoline)4+2
+	log_k 7.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Three_picoline = Ag(Three_picoline)+
-	log_k	2.2
-	delta_h	-21.7568	kJ
-	-gamma	0	0
+	log_k 2.2
+	delta_h -21.7568 kJ
+	-gamma 0 0
 		#                  Id:	209811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Three_picoline = Ag(Three_picoline)2+
-	log_k	4.46
-	delta_h	-49.7896	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Three_picoline = Ag(Three_picoline)2+
+	log_k 4.46
+	delta_h -49.7896 kJ
+	-gamma 0 0
 		#                  Id:	209812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Three_picoline = Ni(Three_picoline)+2
-	log_k	1.87
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.87
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409811
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2
-	log_k	3.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Three_picoline = Ni(Three_picoline)2+2
+	log_k 3.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409812
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 3 Three_picoline = Ni(Three_picoline)3+2
+	log_k 4.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409813
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2
-	log_k	4.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 4 Three_picoline = Ni(Three_picoline)4+2
+	log_k 4.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409814
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Three_picoline = Co(Three_picoline)+2
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009811
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Co+2 + 2Three_picoline = Co(Three_picoline)2+2
-	log_k	2.2
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Three_picoline = Co(Three_picoline)2+2
+	log_k 2.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009812
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Co+2 + 3Three_picoline = Co(Three_picoline)3+2
-	log_k	2.5
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 3 Three_picoline = Co(Three_picoline)3+2
+	log_k 2.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009813
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
 H+ + Four_picoline = H(Four_picoline)+
-	log_k	6.03
-	delta_h	-25.3132	kJ
-	-gamma	0	0
+	log_k 6.03
+	delta_h -25.3132 kJ
+	-gamma 0 0
 		#                  Id:	3309821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Four_picoline = Zn(Four_picoline)+2
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2
-	log_k	2.11
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Four_picoline = Zn(Four_picoline)2+2
+	log_k 2.11
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2
-	log_k	2.85
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 3 Four_picoline = Zn(Four_picoline)3+2
+	log_k 2.85
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Four_picoline = Cd(Four_picoline)+2
-	log_k	1.59
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.59
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609821
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2
-	log_k	2.4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 2 Four_picoline = Cd(Four_picoline)2+2
+	log_k 2.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609822
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2
-	log_k	3.18
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 3 Four_picoline = Cd(Four_picoline)3+2
+	log_k 3.18
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609823
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cd+2 + 4 Four_picoline = Cd(Four_picoline)4+2
+	log_k 4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+ + Four_picoline = Cu(Four_picoline)+
-	log_k	5.65
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.65
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 2Four_picoline = Cu(Four_picoline)2+
-	log_k	8.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 2 Four_picoline = Cu(Four_picoline)2+
+	log_k 8.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 3Four_picoline = Cu(Four_picoline)3+
-	log_k	8.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 3 Four_picoline = Cu(Four_picoline)3+
+	log_k 8.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+ + 4Four_picoline = Cu(Four_picoline)4+
-	log_k	9.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+ + 4 Four_picoline = Cu(Four_picoline)4+
+	log_k 9.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Four_picoline = Cu(Four_picoline)+2
-	log_k	2.88
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.88
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2
-	log_k	5.16
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Four_picoline = Cu(Four_picoline)2+2
+	log_k 5.16
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2
-	log_k	6.77
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 3 Four_picoline = Cu(Four_picoline)3+2
+	log_k 6.77
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2
-	log_k	8.08
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 4 Four_picoline = Cu(Four_picoline)4+2
+	log_k 8.08
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2
-	log_k	8.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 5 Four_picoline = Cu(Four_picoline)5+2
+	log_k 8.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319825
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Four_picoline = Ag(Four_picoline)+
-	log_k	2.03
-	delta_h	-25.5224	kJ
-	-gamma	0	0
+	log_k 2.03
+	delta_h -25.5224 kJ
+	-gamma 0 0
 		#                  Id:	209821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Four_picoline = Ag(Four_picoline)2+
-	log_k	4.39
-	delta_h	-53.5552	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Four_picoline = Ag(Four_picoline)2+
+	log_k 4.39
+	delta_h -53.5552 kJ
+	-gamma 0 0
 		#                  Id:	209822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Four_picoline = Ni(Four_picoline)+2
-	log_k	2.11
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.11
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409821
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2
-	log_k	3.59
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Four_picoline = Ni(Four_picoline)2+2
+	log_k 3.59
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409822
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2
-	log_k	4.34
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 3 Four_picoline = Ni(Four_picoline)3+2
+	log_k 4.34
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409823
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2
-	log_k	4.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 4 Four_picoline = Ni(Four_picoline)4+2
+	log_k 4.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409824
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Four_picoline = Co(Four_picoline)+2
-	log_k	1.56
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.56
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009821
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Co+2 + 2Four_picoline = Co(Four_picoline)2+2
-	log_k	2.51
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Four_picoline = Co(Four_picoline)2+2
+	log_k 2.51
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009822
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Co+2 + 3Four_picoline = Co(Four_picoline)3+2
-	log_k	2.94
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 3 Four_picoline = Co(Four_picoline)3+2
+	log_k 2.94
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009823
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Co+2 + 4Four_picoline = Co(Four_picoline)4+2
-	log_k	3.17
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 4 Four_picoline = Co(Four_picoline)4+2
+	log_k 3.17
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009824
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
 H+ + Formate- = H(Formate)
-	log_k	3.745
-	delta_h	0.1674	kJ
-	-gamma	0	0
+	log_k 3.745
+	delta_h 0.1674 kJ
+	-gamma 0 0
 		#                  Id:	3309831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Formate- = Pb(Formate)+
-	log_k	2.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Zn+2 + Formate- = Zn(Formate)+
-	log_k	1.44
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.44
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Formate- = Cd(Formate)+
-	log_k	1.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O
-	log_k	9.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Hg(OH)2 + Formate- + 2 H+ = Hg(Formate)+ + 2 H2O
+	log_k 9.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Formate- = Cu(Formate)+
-	log_k	2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Formate- = Ni(Formate)+
-	log_k	1.22
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.22
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409831
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Co+2 + Formate- = Co(Formate)+
-	log_k	1.209
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.209
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009831
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 30.0
-Co+2 + 2Formate- = Co(Formate)2
-	log_k	1.1365
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Formate- = Co(Formate)2
+	log_k 1.1365
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009832
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
 Cr+2 + Formate- = Cr(Formate)+
-	log_k	1.07
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.07
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2109831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Formate- = Mg(Formate)+
-	log_k	1.43
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Formate- = Ca(Formate)+
-	log_k	1.43
-	delta_h	4.184	kJ
-	-gamma	0	0
+	log_k 1.43
+	delta_h 4.184 kJ
+	-gamma 0 0
 		#                  Id:	1509831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Formate- = Sr(Formate)+
-	log_k	1.39
-	delta_h	4	kJ
-	-gamma	0	0
+	log_k 1.39
+	delta_h 4 kJ
+	-gamma 0 0
 		#                  Id:	8009831
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + Formate- = Ba(Formate)+
-	log_k	1.38
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009831
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Isovalerate- = H(Isovalerate)
-	log_k	4.781
-	delta_h	4.5606	kJ
-	-gamma	0	0
+	log_k 4.781
+	delta_h 4.5606 kJ
+	-gamma 0 0
 		#                  Id:	3309841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Isovalerate- = Zn(Isovalerate)+
-	log_k	1.39
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.39
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Isovalerate- = Cu(Isovalerate)+
-	log_k	2.08
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.08
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319841
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Isovalerate- = Ca(Isovalerate)+
-	log_k	0.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509841
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Valerate- = H(Valerate)
-	log_k	4.843
-	delta_h	2.887	kJ
-	-gamma	0	0
+	log_k 4.843
+	delta_h 2.887 kJ
+	-gamma 0 0
 		#                  Id:	3309851
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Valerate- = Cu(Valerate)+
-	log_k	2.12
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.12
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319851
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Valerate- = Ca(Valerate)+
-	log_k	0.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509851
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ba+2 + Valerate- = Ba(Valerate)+
-	log_k	-0.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009851
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Acetate- = H(Acetate)
-	log_k	4.757
-	delta_h	0.41	kJ
-	-gamma	0	0
+	log_k 4.757
+	delta_h 0.41 kJ
+	-gamma 0 0
 		#                  Id:	3309921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O
-	log_k	10.0213
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + Acetate- = Sn(Acetate)+ + 2 H2O
+	log_k 10.0213
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 3.00 25.0
-Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O
-	log_k	12.32
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 2 Acetate- = Sn(Acetate)2 + 2 H2O
+	log_k 12.32
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 3.00 25.0
-Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O
-	log_k	13.55
-	delta_h	0	kJ
-	-gamma	0	0
+Sn(OH)2 + 2 H+ + 3 Acetate- = Sn(Acetate)3- + 2 H2O
+	log_k 13.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 3.00 25.0
 Pb+2 + Acetate- = Pb(Acetate)+
-	log_k	2.68
-	delta_h	-0.4	kJ
-	-gamma	0	0
+	log_k 2.68
+	delta_h -0.4 kJ
+	-gamma 0 0
 		#                  Id:	6009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Pb+2 + 2Acetate- = Pb(Acetate)2
-	log_k	4.08
-	delta_h	-0.8	kJ
-	-gamma	0	0
+Pb+2 + 2 Acetate- = Pb(Acetate)2
+	log_k 4.08
+	delta_h -0.8 kJ
+	-gamma 0 0
 		#                  Id:	6009922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Tl+ + Acetate- = Tl(Acetate)
-	log_k	-0.11
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -0.11
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Zn+2 + Acetate- = Zn(Acetate)+
-	log_k	1.58
-	delta_h	8.3	kJ
-	-gamma	0	0
+	log_k 1.58
+	delta_h 8.3 kJ
+	-gamma 0 0
 		#                  Id:	9509921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Zn+2 + 2Acetate- = Zn(Acetate)2
-	log_k	2.6434
-	delta_h	22	kJ
-	-gamma	0	0
+Zn+2 + 2 Acetate- = Zn(Acetate)2
+	log_k 2.6434
+	delta_h 22 kJ
+	-gamma 0 0
 		#                  Id:	9509922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Cd+2 + Acetate- = Cd(Acetate)+
-	log_k	1.93
-	delta_h	9.6	kJ
-	-gamma	0	0
+	log_k 1.93
+	delta_h 9.6 kJ
+	-gamma 0 0
 		#                  Id:	1609921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cd+2 + 2Acetate- = Cd(Acetate)2
-	log_k	2.86
-	delta_h	15	kJ
-	-gamma	0	0
+Cd+2 + 2 Acetate- = Cd(Acetate)2
+	log_k 2.86
+	delta_h 15 kJ
+	-gamma 0 0
 		#                  Id:	1609922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O
-	log_k	10.494
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + Acetate- = Hg(Acetate)+ + 2 H2O
+	log_k 10.494
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
-Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O
-	log_k	13.83
-	delta_h	0	kJ
-	-gamma	0	0
+Hg(OH)2 + 2 H+ + 2 Acetate- = Hg(Acetate)2 + 2 H2O
+	log_k 13.83
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	SCD2.62                       
+		#        log K source:	NIST46.4
+		#      Delta H source:	SCD2.62
 		#T and ionic strength:	 3.00 25.0
 Cu+2 + Acetate- = Cu(Acetate)+
-	log_k	2.21
-	delta_h	7.1	kJ
-	-gamma	0	0
+	log_k 2.21
+	delta_h 7.1 kJ
+	-gamma 0 0
 		#                  Id:	2319921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 2Acetate- = Cu(Acetate)2
-	log_k	3.4
-	delta_h	12	kJ
-	-gamma	0	0
+Cu+2 + 2 Acetate- = Cu(Acetate)2
+	log_k 3.4
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	2319922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Cu+2 + 3Acetate- = Cu(Acetate)3-
-	log_k	3.9434
-	delta_h	6.2	kJ
-	-gamma	0	0
+Cu+2 + 3 Acetate- = Cu(Acetate)3-
+	log_k 3.9434
+	delta_h 6.2 kJ
+	-gamma 0 0
 		#                  Id:	2319923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
 Ag+ + Acetate- = Ag(Acetate)
-	log_k	0.73
-	delta_h	3	kJ
-	-gamma	0	0
+	log_k 0.73
+	delta_h 3 kJ
+	-gamma 0 0
 		#                  Id:	209921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ag+ + 2Acetate- = Ag(Acetate)2-
-	log_k	0.64
-	delta_h	3	kJ
-	-gamma	0	0
+Ag+ + 2 Acetate- = Ag(Acetate)2-
+	log_k 0.64
+	delta_h 3 kJ
+	-gamma 0 0
 		#                  Id:	209922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Ni+2 + Acetate- = Ni(Acetate)+
-	log_k	1.37
-	delta_h	8.7	kJ
-	-gamma	0	0
+	log_k 1.37
+	delta_h 8.7 kJ
+	-gamma 0 0
 		#                  Id:	5409921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Ni+2 + 2Acetate- = Ni(Acetate)2
-	log_k	2.1
-	delta_h	10	kJ
-	-gamma	0	0
+Ni+2 + 2 Acetate- = Ni(Acetate)2
+	log_k 2.1
+	delta_h 10 kJ
+	-gamma 0 0
 		#                  Id:	5409922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Co+2 + Acetate- = Co(Acetate)+
-	log_k	1.38
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Acetate- = Co(Acetate)2
-	log_k	0.7565
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Acetate- = Co(Acetate)2
+	log_k 0.7565
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 2.00 25.0
 Fe+2 + Acetate- = Fe(Acetate)+
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Fe+3 + Acetate- = Fe(Acetate)+2
-	log_k	4.0234
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.0234
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
-Fe+3 + 2Acetate- = Fe(Acetate)2+
-	log_k	7.5723
-	delta_h	0	kJ
-	-gamma	0	0
+Fe+3 + 2 Acetate- = Fe(Acetate)2+
+	log_k 7.5723
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
-Fe+3 + 3Acetate- = Fe(Acetate)3
-	log_k	9.5867
-	delta_h	0	kJ
-	-gamma	0	0
+Fe+3 + 3 Acetate- = Fe(Acetate)3
+	log_k 9.5867
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Mn+2 + Acetate- = Mn(Acetate)+
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Cr+2 + Acetate- = Cr(Acetate)+
-	log_k	1.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
-Cr+2 + 2Acetate- = Cr(Acetate)2
-	log_k	2.92
-	delta_h	0	kJ
-	-gamma	0	0
+Cr+2 + 2 Acetate- = Cr(Acetate)2
+	log_k 2.92
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2109922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
-Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O
-	log_k	15.0073
-	delta_h	-125.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + Acetate- = Cr(Acetate)+2 + 2 H2O
+	log_k 15.0073
+	delta_h -125.62 kJ
+	-gamma 0 0
 		#                  Id:	2119921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O
-	log_k	17.9963
-	delta_h	-117.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + 2 Acetate- = Cr(Acetate)2+ + 2 H2O
+	log_k 17.9963
+	delta_h -117.62 kJ
+	-gamma 0 0
 		#                  Id:	2119922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
-Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O
-	log_k	20.7858
-	delta_h	-96.62	kJ
-	-gamma	0	0
+Cr(OH)2+ + 2 H+ + 3 Acetate- = Cr(Acetate)3 + 2 H2O
+	log_k 20.7858
+	delta_h -96.62 kJ
+	-gamma 0 0
 		#                  Id:	2119923
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.50 25.0
 Be+2 + Acetate- = Be(Acetate)+
-	log_k	2.0489
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.0489
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Acetate- = Be(Acetate)2
-	log_k	3.0034
-	delta_h	0	kJ
-	-gamma	0	0
+Be+2 + 2 Acetate- = Be(Acetate)2
+	log_k 3.0034
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109922
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + Acetate- = Mg(Acetate)+
-	log_k	1.27
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.27
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Ca+2 + Acetate- = Ca(Acetate)+
-	log_k	1.18
-	delta_h	4	kJ
-	-gamma	0	0
+	log_k 1.18
+	delta_h 4 kJ
+	-gamma 0 0
 		#                  Id:	1509920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Sr+2 + Acetate- = Sr(Acetate)+
-	log_k	1.14
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.14
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + Acetate- = Ba(Acetate)+
-	log_k	1.07
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.07
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Na+ + Acetate- = Na(Acetate)
-	log_k	-0.18
-	delta_h	12	kJ
-	-gamma	0	0
+	log_k -0.18
+	delta_h 12 kJ
+	-gamma 0 0
 		#                  Id:	5009920
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 K+ + Acetate- = K(Acetate)
-	log_k	-0.1955
-	delta_h	4.184	kJ
-	-gamma	0	0
+	log_k -0.1955
+	delta_h 4.184 kJ
+	-gamma 0 0
 		#                  Id:	4109921
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 H+ + Tartarate-2 = H(Tartarate)-
-	log_k	4.366
-	delta_h	-0.7531	kJ
-	-gamma	0	0
+	log_k 4.366
+	delta_h -0.7531 kJ
+	-gamma 0 0
 		#                  Id:	3309931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Tartarate-2 = H2(Tartarate)
-	log_k	7.402
-	delta_h	-3.6819	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Tartarate-2 = H2(Tartarate)
+	log_k 7.402
+	delta_h -3.6819 kJ
+	-gamma 0 0
 		#                  Id:	3309932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O
-	log_k	13.1518
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Sn(OH)2 + 2 H+ + Tartarate-2 = Sn(Tartarate) + 2 H2O
+	log_k 13.1518
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	7909931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Pb+2 + Tartarate-2 = Pb(Tartarate)
-	log_k	3.98
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.98
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Tartarate-2 = Al(Tartarate)2-
-	log_k	9.37
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Al+3 + 2 Tartarate-2 = Al(Tartarate)2-
+	log_k 9.37
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Tartarate-2 = Tl(Tartarate)-
-	log_k	1.4
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Tl+ + Tartarate-2 + H+ = TlH(Tartarate)
-	log_k	4.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Tartarate-2 = Zn(Tartarate)
-	log_k	3.43
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2
-	log_k	5.5
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Tartarate-2 = Zn(Tartarate)2-2
+	log_k 5.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+
-	log_k	5.9
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509933
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Tartarate-2 = Cd(Tartarate)
-	log_k	2.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2
-	log_k	4.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Tartarate-2 = Cd(Tartarate)2-2
+	log_k 4.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O
-	log_k	14
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Tartarate-2 + 2 H+ = Hg(Tartarate) + 2 H2O
+	log_k 14
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Tartarate-2 = Cu(Tartarate)
-	log_k	3.97
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.97
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+
-	log_k	6.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Tartarate-2 = Ni(Tartarate)
-	log_k	3.46
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.46
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+
-	log_k	5.89
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.89
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Tartarate-2 = Co(Tartarate)
-	log_k	3.05
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.05
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Tartarate-2 = Co(Tartarate)2-2
-	log_k	4
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Tartarate-2 = Co(Tartarate)2-2
+	log_k 4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+
-	log_k	5.754
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.754
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009933
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 1.00 20.0
 Fe+2 + Tartarate-2 = Fe(Tartarate)
-	log_k	3.1
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Tartarate-2 = Fe(Tartarate)+
-	log_k	7.78
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.78
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Tartarate-2 = Mn(Tartarate)
-	log_k	3.38
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+
-	log_k	6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Tartarate-2 = Mg(Tartarate)
-	log_k	2.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+
-	log_k	5.75
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.75
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Be+2 + Tartarate-2 = Be(Tartarate)
-	log_k	2.768
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.768
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
-Be+2 + 2Tartarate-2 = Be(Tartarate)2-2
-	log_k	4.008
-	delta_h	0	kJ
-	-gamma	0	0
+Be+2 + 2 Tartarate-2 = Be(Tartarate)2-2
+	log_k 4.008
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
 Ca+2 + Tartarate-2 = Ca(Tartarate)
-	log_k	2.8
-	delta_h	-8.368	kJ
-	-gamma	0	0
+	log_k 2.8
+	delta_h -8.368 kJ
+	-gamma 0 0
 		#                  Id:	1509931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+
-	log_k	5.86
-	delta_h	-9.1211	kJ
-	-gamma	0	0
+	log_k 5.86
+	delta_h -9.1211 kJ
+	-gamma 0 0
 		#                  Id:	1509932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Tartarate-2 = Sr(Tartarate)
-	log_k	2.55
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009931
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 20.0
 Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+
-	log_k	5.8949
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.8949
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009932
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Tartarate-2 = Ba(Tartarate)
-	log_k	2.54
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.54
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+
-	log_k	5.77
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.77
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Na+ + Tartarate-2 = Na(Tartarate)-
-	log_k	0.9
-	delta_h	-0.8368	kJ
-	-gamma	0	0
+	log_k 0.9
+	delta_h -0.8368 kJ
+	-gamma 0 0
 		#                  Id:	5009931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Na+ + Tartarate-2 + H+ = NaH(Tartarate)
-	log_k	4.58
-	delta_h	-2.8451	kJ
-	-gamma	0	0
+	log_k 4.58
+	delta_h -2.8451 kJ
+	-gamma 0 0
 		#                  Id:	5009932
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 K+ + Tartarate-2 = K(Tartarate)-
-	log_k	0.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4109931
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Glycine- = H(Glycine)
-	log_k	9.778
-	delta_h	-44.3504	kJ
-	-gamma	0	0
+	log_k 9.778
+	delta_h -44.3504 kJ
+	-gamma 0 0
 		#                  Id:	3309941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Glycine- = H2(Glycine)+
-	log_k	12.128
-	delta_h	-48.4507	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Glycine- = H2(Glycine)+
+	log_k 12.128
+	delta_h -48.4507 kJ
+	-gamma 0 0
 		#                  Id:	3309942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Glycine- = Pb(Glycine)+
-	log_k	5.47
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.47
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Pb+2 + 2Glycine- = Pb(Glycine)2
-	log_k	8.86
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Pb+2 + 2 Glycine- = Pb(Glycine)2
+	log_k 8.86
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Tl+ + Glycine- = Tl(Glycine)
-	log_k	1.72
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 1.72
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8709941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Glycine- = Zn(Glycine)+
-	log_k	5.38
-	delta_h	-11.7152	kJ
-	-gamma	0	0
+	log_k 5.38
+	delta_h -11.7152 kJ
+	-gamma 0 0
 		#                  Id:	9509941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Glycine- = Zn(Glycine)2
-	log_k	9.81
-	delta_h	-24.2672	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Glycine- = Zn(Glycine)2
+	log_k 9.81
+	delta_h -24.2672 kJ
+	-gamma 0 0
 		#                  Id:	9509942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 3Glycine- = Zn(Glycine)3-
-	log_k	12.3
-	delta_h	-39.748	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 3 Glycine- = Zn(Glycine)3-
+	log_k 12.3
+	delta_h -39.748 kJ
+	-gamma 0 0
 		#                  Id:	9509943
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Glycine- = Cd(Glycine)+
-	log_k	4.69
-	delta_h	-8.7864	kJ
-	-gamma	0	0
+	log_k 4.69
+	delta_h -8.7864 kJ
+	-gamma 0 0
 		#                  Id:	1609941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Glycine- = Cd(Glycine)2
-	log_k	8.4
-	delta_h	-22.5936	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Glycine- = Cd(Glycine)2
+	log_k 8.4
+	delta_h -22.5936 kJ
+	-gamma 0 0
 		#                  Id:	1609942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 3Glycine- = Cd(Glycine)3-
-	log_k	10.7
-	delta_h	-35.9824	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 3 Glycine- = Cd(Glycine)3-
+	log_k 10.7
+	delta_h -35.9824 kJ
+	-gamma 0 0
 		#                  Id:	1609943
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O
-	log_k	17
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Glycine- + 2 H+ = Hg(Glycine)+ + 2 H2O
+	log_k 17
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619941
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O
-	log_k	25.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Hg(OH)2 + 2 Glycine- + 2 H+ = Hg(Glycine)2 + 2 H2O
+	log_k 25.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cu+ + 2Glycine- = Cu(Glycine)2-
-	log_k	10.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cu+ + 2 Glycine- = Cu(Glycine)2-
+	log_k 10.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2309941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Glycine- = Cu(Glycine)+
-	log_k	8.57
-	delta_h	-25.104	kJ
-	-gamma	0	0
+	log_k 8.57
+	delta_h -25.104 kJ
+	-gamma 0 0
 		#                  Id:	2319941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Glycine- = Cu(Glycine)2
-	log_k	15.7
-	delta_h	-54.8104	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Glycine- = Cu(Glycine)2
+	log_k 15.7
+	delta_h -54.8104 kJ
+	-gamma 0 0
 		#                  Id:	2319942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Glycine- = Ag(Glycine)
-	log_k	3.51
-	delta_h	-19.2464	kJ
-	-gamma	0	0
+	log_k 3.51
+	delta_h -19.2464 kJ
+	-gamma 0 0
 		#                  Id:	209941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Glycine- = Ag(Glycine)2-
-	log_k	6.89
-	delta_h	-48.116	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Glycine- = Ag(Glycine)2-
+	log_k 6.89
+	delta_h -48.116 kJ
+	-gamma 0 0
 		#                  Id:	209942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Glycine- = Ni(Glycine)+
-	log_k	6.15
-	delta_h	-18.828	kJ
-	-gamma	0	0
+	log_k 6.15
+	delta_h -18.828 kJ
+	-gamma 0 0
 		#                  Id:	5409941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Glycine- = Ni(Glycine)2
-	log_k	11.12
-	delta_h	-38.0744	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Glycine- = Ni(Glycine)2
+	log_k 11.12
+	delta_h -38.0744 kJ
+	-gamma 0 0
 		#                  Id:	5409942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 3Glycine- = Ni(Glycine)3-
-	log_k	14.63
-	delta_h	-62.3416	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 3 Glycine- = Ni(Glycine)3-
+	log_k 14.63
+	delta_h -62.3416 kJ
+	-gamma 0 0
 		#                  Id:	5409943
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Co+2 + Glycine- = Co(Glycine)+
-	log_k	5.07
-	delta_h	-12	kJ
-	-gamma	0	0
+	log_k 5.07
+	delta_h -12 kJ
+	-gamma 0 0
 		#                  Id:	2009941
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 2Glycine- = Co(Glycine)2
-	log_k	9.07
-	delta_h	-26	kJ
-	-gamma	0	0
+Co+2 + 2 Glycine- = Co(Glycine)2
+	log_k 9.07
+	delta_h -26 kJ
+	-gamma 0 0
 		#                  Id:	2009942
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
-Co+2 + 3Glycine- = Co(Glycine)3-
-	log_k	11.6
-	delta_h	-41	kJ
-	-gamma	0	0
+Co+2 + 3 Glycine- = Co(Glycine)3-
+	log_k 11.6
+	delta_h -41 kJ
+	-gamma 0 0
 		#                  Id:	2009943
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Co+2 + Glycine- + H2O = CoOH(Glycine) + H+
-	log_k	-5.02
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k -5.02
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009944
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Fe+2 + Glycine- = Fe(Glycine)+
-	log_k	4.31
-	delta_h	-15.0624	kJ
-	-gamma	0	0
+	log_k 4.31
+	delta_h -15.0624 kJ
+	-gamma 0 0
 		#                  Id:	2809941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Glycine- = Fe(Glycine)2
-	log_k	8.29
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+2 + 2 Glycine- = Fe(Glycine)2
+	log_k 8.29
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Glycine- = Fe(Glycine)+2
-	log_k	9.38
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 9.38
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Glycine- + H+ = FeH(Glycine)+3
-	log_k	11.55
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 11.55
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Glycine- = Mn(Glycine)+
-	log_k	3.19
-	delta_h	-1.2552	kJ
-	-gamma	0	0
+	log_k 3.19
+	delta_h -1.2552 kJ
+	-gamma 0 0
 		#                  Id:	4709941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Glycine- = Mn(Glycine)2
-	log_k	5.4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Mn+2 + 2 Glycine- = Mn(Glycine)2
+	log_k 5.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O
-	log_k	18.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + Glycine- + 2 H+ = Cr(Glycine)+2 + 2 H2O
+	log_k 18.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119941
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O
-	log_k	25.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Glycine- + 2 H+ = Cr(Glycine)2+ + 2 H2O
+	log_k 25.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119942
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O
-	log_k	31.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 3 Glycine- + 2 H+ = Cr(Glycine)3 + 2 H2O
+	log_k 31.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119943
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Mg+2 + Glycine- = Mg(Glycine)+
-	log_k	2.08
-	delta_h	4.184	kJ
-	-gamma	0	0
+	log_k 2.08
+	delta_h 4.184 kJ
+	-gamma 0 0
 		#                  Id:	4609941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Glycine- = Ca(Glycine)+
-	log_k	1.39
-	delta_h	-4.184	kJ
-	-gamma	0	0
+	log_k 1.39
+	delta_h -4.184 kJ
+	-gamma 0 0
 		#                  Id:	1509941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Glycine- + H+ = CaH(Glycine)+2
-	log_k	10.1
-	delta_h	-35.9824	kJ
-	-gamma	0	0
+	log_k 10.1
+	delta_h -35.9824 kJ
+	-gamma 0 0
 		#                  Id:	1509942
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Glycine- = Sr(Glycine)+
-	log_k	0.91
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.91
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009941
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.00 25.0
 Ba+2 + Glycine- = Ba(Glycine)+
-	log_k	0.77
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 0.77
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009941
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Salicylate-2 = H(Salicylate)-
-	log_k	13.7
-	delta_h	-35.7732	kJ
-	-gamma	0	0
+	log_k 13.7
+	delta_h -35.7732 kJ
+	-gamma 0 0
 		#                  Id:	3309951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Salicylate-2 = H2(Salicylate)
-	log_k	16.8
-	delta_h	-38.7857	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Salicylate-2 = H2(Salicylate)
+	log_k 16.8
+	delta_h -38.7857 kJ
+	-gamma 0 0
 		#                  Id:	3309952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Salicylate-2 = Zn(Salicylate)
-	log_k	7.71
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.71
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509951
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+
-	log_k	15.5
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Salicylate-2 = Cd(Salicylate)
-	log_k	6.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+
-	log_k	16
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 16
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Salicylate-2 = Cu(Salicylate)
-	log_k	11.3
-	delta_h	-17.9912	kJ
-	-gamma	0	0
+	log_k 11.3
+	delta_h -17.9912 kJ
+	-gamma 0 0
 		#                  Id:	2319951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2
-	log_k	19.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Salicylate-2 = Cu(Salicylate)2-2
+	log_k 19.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+
-	log_k	14.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2319953
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Salicylate-2 = Ni(Salicylate)
-	log_k	8.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 8.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2
-	log_k	12.64
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Salicylate-2 = Ni(Salicylate)2-2
+	log_k 12.64
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409952
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Co+2 + Salicylate-2 = Co(Salicylate)
-	log_k	7.4289
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.4289
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009951
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
-Co+2 + 2Salicylate-2 = Co(Salicylate)2-2
-	log_k	11.8
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Salicylate-2 = Co(Salicylate)2-2
+	log_k 11.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009952
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 20.0
 Fe+2 + Salicylate-2 = Fe(Salicylate)
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2
-	log_k	11.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+2 + 2 Salicylate-2 = Fe(Salicylate)2-2
+	log_k 11.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2809952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Fe+3 + Salicylate-2 = Fe(Salicylate)+
-	log_k	17.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 17.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Fe+3 + 2Salicylate-2 = Fe(Salicylate)2-
-	log_k	29.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Fe+3 + 2 Salicylate-2 = Fe(Salicylate)2-
+	log_k 29.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2819952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mn+2 + Salicylate-2 = Mn(Salicylate)
-	log_k	6.5
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.5
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2
-	log_k	10.1
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Mn+2 + 2 Salicylate-2 = Mn(Salicylate)2-2
+	log_k 10.1
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Be+2 + Salicylate-2 = Be(Salicylate)
-	log_k	13.3889
-	delta_h	-31.7732	kJ
-	-gamma	0	0
+	log_k 13.3889
+	delta_h -31.7732 kJ
+	-gamma 0 0
 		#                  Id:	1109951
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Salicylate-2 = Be(Salicylate)2-2
-	log_k	23.25
-	delta_h	0	kJ
-	-gamma	0	0
+Be+2 + 2 Salicylate-2 = Be(Salicylate)2-2
+	log_k 23.25
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109952
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + Salicylate-2 = Mg(Salicylate)
-	log_k	5.76
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.76
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+
-	log_k	15.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 15.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609952
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ca+2 + Salicylate-2 = Ca(Salicylate)
-	log_k	4.05
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.05
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509951
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+
-	log_k	14.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509952
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+
-	log_k	13.9
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.9
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009951
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 H+ + Glutamate-2 = H(Glutamate)-
-	log_k	9.96
-	delta_h	-41.0032	kJ
-	-gamma	0	0
+	log_k 9.96
+	delta_h -41.0032 kJ
+	-gamma 0 0
 		#                  Id:	3309961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Glutamate-2 = H2(Glutamate)
-	log_k	14.26
-	delta_h	-43.5136	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Glutamate-2 = H2(Glutamate)
+	log_k 14.26
+	delta_h -43.5136 kJ
+	-gamma 0 0
 		#                  Id:	3309962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-3H+ + Glutamate-2 = H3(Glutamate)+
-	log_k	16.42
-	delta_h	-46.8608	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+3 H+ + Glutamate-2 = H3(Glutamate)+
+	log_k 16.42
+	delta_h -46.8608 kJ
+	-gamma 0 0
 		#                  Id:	3309963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Glutamate-2 = Pb(Glutamate)
-	log_k	6.43
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2
-	log_k	8.61
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Pb+2 + 2 Glutamate-2 = Pb(Glutamate)2-2
+	log_k 8.61
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+
-	log_k	14.08
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 14.08
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2
-	log_k	13.07
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 13.07
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Glutamate-2 = Zn(Glutamate)
-	log_k	6.2
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2
-	log_k	9.13
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 2 Glutamate-2 = Zn(Glutamate)2-2
+	log_k 9.13
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4
-	log_k	9.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Zn+2 + 3 Glutamate-2 = Zn(Glutamate)3-4
+	log_k 9.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cd+2 + Glutamate-2 = Cd(Glutamate)
-	log_k	4.7
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2
-	log_k	7.59
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Glutamate-2 = Cd(Glutamate)2-2
+	log_k 7.59
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O
-	log_k	19.8
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Hg(OH)2 + Glutamate-2 + 2 H+ = Hg(Glutamate) + 2 H2O
+	log_k 19.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O
-	log_k	26.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Hg(OH)2 + 2 Glutamate-2 + 2 H+ = Hg(Glutamate)2-2 + 2 H2O
+	log_k 26.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	3619962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Cu+2 + Glutamate-2 = Cu(Glutamate)
-	log_k	9.17
-	delta_h	-20.92	kJ
-	-gamma	0	0
+	log_k 9.17
+	delta_h -20.92 kJ
+	-gamma 0 0
 		#                  Id:	2319961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2
-	log_k	15.78
-	delta_h	-48.116	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Glutamate-2 = Cu(Glutamate)2-2
+	log_k 15.78
+	delta_h -48.116 kJ
+	-gamma 0 0
 		#                  Id:	2319962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+
-	log_k	13.3
-	delta_h	-28.0328	kJ
-	-gamma	0	0
+	log_k 13.3
+	delta_h -28.0328 kJ
+	-gamma 0 0
 		#                  Id:	2319963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ag+ + Glutamate-2 = Ag(Glutamate)-
-	log_k	4.22
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.22
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3
-	log_k	7.36
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ag+ + 2 Glutamate-2 = Ag(Glutamate)2-3
+	log_k 7.36
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-2Ag+ + Glutamate-2 = Ag2(Glutamate)
-	log_k	3.4
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+2 Ag+ + Glutamate-2 = Ag2(Glutamate)
+	log_k 3.4
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	209963
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Glutamate-2 = Ni(Glutamate)
-	log_k	6.47
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.47
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2
-	log_k	10.7
-	delta_h	-30.9616	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Ni+2 + 2 Glutamate-2 = Ni(Glutamate)2-2
+	log_k 10.7
+	delta_h -30.9616 kJ
+	-gamma 0 0
 		#                  Id:	5409962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Glutamate-2 = Co(Glutamate)
-	log_k	5.4178
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 5.4178
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009961
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Co+2 + 2Glutamate-2 = Co(Glutamate)2-2
-	log_k	8.7178
-	delta_h	0	kJ
-	-gamma	0	0
+Co+2 + 2 Glutamate-2 = Co(Glutamate)2-2
+	log_k 8.7178
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009962
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Mn+2 + Glutamate-2 = Mn(Glutamate)
-	log_k	4.95
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.95
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2
-	log_k	8.48
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Mn+2 + 2 Glutamate-2 = Mn(Glutamate)2-2
+	log_k 8.48
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4709962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O
-	log_k	22.6
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + Glutamate-2 + 2 H+ = Cr(Glutamate)+ + 2 H2O
+	log_k 22.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119961
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O
-	log_k	30.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Glutamate-2 + 2 H+ = Cr(Glutamate)2- + 2 H2O
+	log_k 30.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119962
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O
-	log_k	25.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + Glutamate-2 + 3 H+ = CrH(Glutamate)+2 + 2 H2O
+	log_k 25.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119963
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Mg+2 + Glutamate-2 = Mg(Glutamate)
-	log_k	2.8
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.8
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Glutamate-2 = Ca(Glutamate)
-	log_k	2.06
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.06
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+
-	log_k	11.13
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 11.13
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509962
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Sr+2 + Glutamate-2 = Sr(Glutamate)
-	log_k	2.2278
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.2278
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	8009961
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Ba+2 + Glutamate-2 = Ba(Glutamate)
-	log_k	2.14
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.14
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009961
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 H+ + Phthalate-2 = H(Phthalate)-
-	log_k	5.408
-	delta_h	2.1757	kJ
-	-gamma	0	0
+	log_k 5.408
+	delta_h 2.1757 kJ
+	-gamma 0 0
 		#                  Id:	3309971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-2H+ + Phthalate-2 = H2(Phthalate)
-	log_k	8.358
-	delta_h	4.8534	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+2 H+ + Phthalate-2 = H2(Phthalate)
+	log_k 8.358
+	delta_h 4.8534 kJ
+	-gamma 0 0
 		#                  Id:	3309972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Phthalate-2 = Pb(Phthalate)
-	log_k	4.26
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.26
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2
-	log_k	4.83
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Pb+2 + 2 Phthalate-2 = Pb(Phthalate)2-2
+	log_k 4.83
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+
-	log_k	6.98
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.98
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	6009973
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Al+3 + Phthalate-2 = Al(Phthalate)+
-	log_k	4.56
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.56
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Al+3 + 2Phthalate-2 = Al(Phthalate)2-
-	log_k	7.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Al+3 + 2 Phthalate-2 = Al(Phthalate)2-
+	log_k 7.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	309972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Zn+2 + Phthalate-2 = Zn(Phthalate)
-	log_k	2.91
-	delta_h	13.3888	kJ
-	-gamma	0	0
+	log_k 2.91
+	delta_h 13.3888 kJ
+	-gamma 0 0
 		#                  Id:	9509971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2
-	log_k	4.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Zn+2 + 2 Phthalate-2 = Zn(Phthalate)2-2
+	log_k 4.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	9509972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Phthalate-2 = Cd(Phthalate)
-	log_k	3.43
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 3.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+
-	log_k	6.3
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609973
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2
-	log_k	3.7
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cd+2 + 2 Phthalate-2 = Cd(Phthalate)2-2
+	log_k 3.7
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1609972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Phthalate-2 = Cu(Phthalate)
-	log_k	4.02
-	delta_h	8.368	kJ
-	-gamma	0	0
+	log_k 4.02
+	delta_h 8.368 kJ
+	-gamma 0 0
 		#                  Id:	2319971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+
-	log_k	7.1
-	delta_h	3.8493	kJ
-	-gamma	0	0
+	log_k 7.1
+	delta_h 3.8493 kJ
+	-gamma 0 0
 		#                  Id:	2319970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2
-	log_k	5.3
-	delta_h	15.8992	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cu+2 + 2 Phthalate-2 = Cu(Phthalate)2-2
+	log_k 5.3
+	delta_h 15.8992 kJ
+	-gamma 0 0
 		#                  Id:	2319972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Phthalate-2 = Ni(Phthalate)
-	log_k	2.95
-	delta_h	7.5312	kJ
-	-gamma	0	0
+	log_k 2.95
+	delta_h 7.5312 kJ
+	-gamma 0 0
 		#                  Id:	5409971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+
-	log_k	6.6
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.6
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	5409972
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Co+2 + Phthalate-2 = Co(Phthalate)
-	log_k	2.83
-	delta_h	7.9	kJ
-	-gamma	0	0
+	log_k 2.83
+	delta_h 7.9 kJ
+	-gamma 0 0
 		#                  Id:	2009971
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.4                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.4
 		#T and ionic strength:	 0.00 25.0
 Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+
-	log_k	7.227
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 7.227
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2009972
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.50 25.0
 Mn+2 + Phthalate-2 = Mn(Phthalate)
-	log_k	2.74
-	delta_h	10.0416	kJ
-	-gamma	0	0
+	log_k 2.74
+	delta_h 10.0416 kJ
+	-gamma 0 0
 		#                  Id:	4709971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
-Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O
-	log_k	16.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
+Cr(OH)2+ + Phthalate-2 + 2 H+ = Cr(Phthalate)+ + 2 H2O
+	log_k 16.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O
-	log_k	21.2
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = Cr(Phthalate)2- + 2 H2O
+	log_k 21.2
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119972
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
-Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O
-	log_k	23.3
-	delta_h	0	kJ
-	-gamma	0	0
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
+Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = Cr(Phthalate)3-3 + 2 H2O
+	log_k 23.3
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	2119973
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Be+2 + Phthalate-2 = Be(Phthalate)
-	log_k	4.8278
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 4.8278
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109971
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
-Be+2 + 2Phthalate-2 = Be(Phthalate)2-2
-	log_k	6.5478
-	delta_h	0	kJ
-	-gamma	0	0
+Be+2 + 2 Phthalate-2 = Be(Phthalate)2-2
+	log_k 6.5478
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1109972
-		#        log K source:	NIST46.4                      
-		#      Delta H source:	NIST46.2                      
+		#        log K source:	NIST46.4
+		#      Delta H source:	NIST46.2
 		#T and ionic strength:	 0.10 25.0
 Mg+2 + Phthalate-2 = Mg(Phthalate)
-	log_k	2.49
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.49
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	4609971
-		#        log K source:	SCD2.62                       
-		#      Delta H source:	SCD2.62                       
-		#T and ionic strength:	          
+		#        log K source:	SCD2.62
+		#      Delta H source:	SCD2.62
+		#T and ionic strength:	
 Ca+2 + Phthalate-2 = Ca(Phthalate)
-	log_k	2.45
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.45
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+
-	log_k	6.43
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 6.43
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1509971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Ba+2 + Phthalate-2 = Ba(Phthalate)
-	log_k	2.33
-	delta_h	0	kJ
-	-gamma	0	0
+	log_k 2.33
+	delta_h 0 kJ
+	-gamma 0 0
 		#                  Id:	1009971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 Na+ + Phthalate-2 = Na(Phthalate)-
-	log_k	0.8
-	delta_h	4.184	kJ
-	-gamma	0	0
+	log_k 0.8
+	delta_h 4.184 kJ
+	-gamma 0 0
 		#                  Id:	5009970
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 K+ + Phthalate-2 = K(Phthalate)-
-	log_k	0.7
-	delta_h	3.7656	kJ
-	-gamma	0	0
+	log_k 0.7
+	delta_h 3.7656 kJ
+	-gamma 0 0
 		#                  Id:	4109971
-		#        log K source:	NIST46.2                      
-		#      Delta H source:	NIST46.2                      
-		#T and ionic strength:	          
+		#        log K source:	NIST46.2
+		#      Delta H source:	NIST46.2
+		#T and ionic strength:	
 PHASES
 Sulfur
-	S + H+ + 2e- = HS-
-	log_k	-2.1449
-	delta_h	-16.3	kJ
+	S + H+ + 2 e- = HS-
+	log_k -2.1449
+	delta_h -16.3 kJ
 Semetal(hex
-	Se + H+ + 2e- = HSe-
-	log_k	-7.7084
-	delta_h	15.9	kJ
+	Se + H+ + 2 e- = HSe-
+	log_k -7.7084
+	delta_h 15.9 kJ
 Semetal(am)
-	Se + H+ + 2e- = HSe-
-	log_k	-7.1099
-	delta_h	10.8784	kJ
+	Se + H+ + 2 e- = HSe-
+	log_k -7.1099
+	delta_h 10.8784 kJ
 Sbmetal
-	Sb + 3H2O = Sb(OH)3 + 3H+ + 3e-
-	log_k	-11.6889
-	delta_h	83.89	kJ
+	Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e-
+	log_k -11.6889
+	delta_h 83.89 kJ
 Snmetal(wht)
-	Sn + 2H2O = Sn(OH)2 + 2H+ + 2e-
-	log_k	-2.3266
-	delta_h	-0	kJ
+	Sn + 2 H2O = Sn(OH)2 + 2 H+ + 2 e-
+	log_k -2.3266
+	delta_h -0 kJ
 Pbmetal
-	Pb = Pb+2 + 2e-
-	log_k	4.2462
-	delta_h	0.92	kJ
+	Pb = Pb+2 + 2 e-
+	log_k 4.2462
+	delta_h 0.92 kJ
 Tlmetal
 	Tl = Tl+ + e-
-	log_k	5.6762
-	delta_h	5.36	kJ
+	log_k 5.6762
+	delta_h 5.36 kJ
 Znmetal
-	Zn = Zn+2 + 2e-
-	log_k	25.7886
-	delta_h	-153.39	kJ
+	Zn = Zn+2 + 2 e-
+	log_k 25.7886
+	delta_h -153.39 kJ
 Cdmetal(alpha)
-	Cd = Cd+2 + 2e-
-	log_k	13.5147
-	delta_h	-75.33	kJ
+	Cd = Cd+2 + 2 e-
+	log_k 13.5147
+	delta_h -75.33 kJ
 Cdmetal(gamma)
-	Cd = Cd+2 + 2e-
-	log_k	13.618
-	delta_h	-75.92	kJ
+	Cd = Cd+2 + 2 e-
+	log_k 13.618
+	delta_h -75.92 kJ
 Hgmetal(l)
-	Hg = 0.5Hg2+2 + e-
-	log_k	-13.4517
-	delta_h	83.435	kJ
+	Hg = 0.5 Hg2+2 + e-
+	log_k -13.4517
+	delta_h 83.435 kJ
 Cumetal
 	Cu = Cu+ + e-
-	log_k	-8.756
-	delta_h	71.67	kJ
+	log_k -8.756
+	delta_h 71.67 kJ
 Agmetal
 	Ag = Ag+ + e-
-	log_k	-13.5065
-	delta_h	105.79	kJ
+	log_k -13.5065
+	delta_h 105.79 kJ
 Crmetal
-	Cr = Cr+2 + 2e-
-	log_k	30.4831
-	delta_h	-172	kJ
+	Cr = Cr+2 + 2 e-
+	log_k 30.4831
+	delta_h -172 kJ
 Vmetal
-	V = V+3 + 3e-
-	log_k	44.0253
-	delta_h	-259	kJ
+	V = V+3 + 3 e-
+	log_k 44.0253
+	delta_h -259 kJ
 Stibnite
-	Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS-
-	log_k	-50.46
-	delta_h	293.78	kJ
+	Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS-
+	log_k -50.46
+	delta_h 293.78 kJ
 Orpiment
-	As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+
-	log_k	-61.0663
-	delta_h	350.68	kJ
+	As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+	log_k -61.0663
+	delta_h 350.68 kJ
 Realgar
-	AsS + 3H2O = H3AsO3 + HS- + 2H+ + e-
-	log_k	-19.747
-	delta_h	127.8	kJ
+	AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
+	log_k -19.747
+	delta_h 127.8 kJ
 SnS
-	SnS + 2H2O = Sn(OH)2 + H+ + HS-
-	log_k	-19.114
-	delta_h	-0	kJ
+	SnS + 2 H2O = Sn(OH)2 + H+ + HS-
+	log_k -19.114
+	delta_h -0 kJ
 SnS2
-	SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS-
-	log_k	-57.4538
-	delta_h	-0	kJ
+	SnS2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HS-
+	log_k -57.4538
+	delta_h -0 kJ
 Galena
 	PbS + H+ = Pb+2 + HS-
-	log_k	-13.97
-	delta_h	80	kJ
+	log_k -13.97
+	delta_h 80 kJ
 Tl2S
-	Tl2S + H+ = 2Tl+ + HS-
-	log_k	-7.19
-	delta_h	91.52	kJ
+	Tl2S + H+ = 2 Tl+ + HS-
+	log_k -7.19
+	delta_h 91.52 kJ
 ZnS(am)
 	ZnS + H+ = Zn+2 + HS-
-	log_k	-9.052
-	delta_h	15.3553	kJ
+	log_k -9.052
+	delta_h 15.3553 kJ
 Sphalerite
 	ZnS + H+ = Zn+2 + HS-
-	log_k	-11.45
-	delta_h	30	kJ
+	log_k -11.45
+	delta_h 30 kJ
 Wurtzite
 	ZnS + H+ = Zn+2 + HS-
-	log_k	-8.95
-	delta_h	21.171	kJ
+	log_k -8.95
+	delta_h 21.171 kJ
 Greenockite
 	CdS + H+ = Cd+2 + HS-
-	log_k	-14.36
-	delta_h	55	kJ
+	log_k -14.36
+	delta_h 55 kJ
 Hg2S
 	Hg2S + H+ = Hg2+2 + HS-
-	log_k	-11.6765
-	delta_h	69.7473	kJ
+	log_k -11.6765
+	delta_h 69.7473 kJ
 Cinnabar
-	HgS + 2H2O = Hg(OH)2 + H+ + HS-
-	log_k	-45.694
-	delta_h	253.76	kJ
+	HgS + 2 H2O = Hg(OH)2 + H+ + HS-
+	log_k -45.694
+	delta_h 253.76 kJ
 Metacinnabar
-	HgS + 2H2O = Hg(OH)2 + H+ + HS-
-	log_k	-45.094
-	delta_h	253.72	kJ
+	HgS + 2 H2O = Hg(OH)2 + H+ + HS-
+	log_k -45.094
+	delta_h 253.72 kJ
 Chalcocite
-	Cu2S + H+ = 2Cu+ + HS-
-	log_k	-34.92
-	delta_h	168	kJ
+	Cu2S + H+ = 2 Cu+ + HS-
+	log_k -34.92
+	delta_h 168 kJ
 Djurleite
-	Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS-
-	log_k	-33.92
-	delta_h	200.334	kJ
+	Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
+	log_k -33.92
+	delta_h 200.334 kJ
 Anilite
-	Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS-
-	log_k	-31.878
-	delta_h	182.15	kJ
+	Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
+	log_k -31.878
+	delta_h 182.15 kJ
 BlaubleiII
-	Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS-
-	log_k	-27.279
-	delta_h	-0	kJ
+	Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
+	log_k -27.279
+	delta_h -0 kJ
 BlaubleiI
-	Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS-
-	log_k	-24.162
-	delta_h	-0	kJ
+	Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
+	log_k -24.162
+	delta_h -0 kJ
 Covellite
 	CuS + H+ = Cu+2 + HS-
-	log_k	-22.3
-	delta_h	97	kJ
+	log_k -22.3
+	delta_h 97 kJ
 Chalcopyrite
-	CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS-
-	log_k	-35.27
-	delta_h	148.448	kJ
+	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+	log_k -35.27
+	delta_h 148.448 kJ
 Acanthite
-	Ag2S + H+ = 2Ag+ + HS-
-	log_k	-36.22
-	delta_h	227	kJ
+	Ag2S + H+ = 2 Ag+ + HS-
+	log_k -36.22
+	delta_h 227 kJ
 NiS(alpha)
 	NiS + H+ = Ni+2 + HS-
-	log_k	-5.6
-	delta_h	-0	kJ
+	log_k -5.6
+	delta_h -0 kJ
 NiS(beta)
 	NiS + H+ = Ni+2 + HS-
-	log_k	-11.1
-	delta_h	-0	kJ
+	log_k -11.1
+	delta_h -0 kJ
 NiS(gamma)
 	NiS + H+ = Ni+2 + HS-
-	log_k	-12.8
-	delta_h	-0	kJ
+	log_k -12.8
+	delta_h -0 kJ
 CoS(alpha)
 	CoS + H+ = Co+2 + HS-
-	log_k	-7.44
-	delta_h	-0	kJ
+	log_k -7.44
+	delta_h -0 kJ
 CoS(beta)
 	CoS + H+ = Co+2 + HS-
-	log_k	-11.07
-	delta_h	-0	kJ
+	log_k -11.07
+	delta_h -0 kJ
 FeS(ppt)
 	FeS + H+ = Fe+2 + HS-
-	log_k	-2.95
-	delta_h	-11	kJ
+	log_k -2.95
+	delta_h -11 kJ
 Greigite
-	Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS-
-	log_k	-45.035
-	delta_h	-0	kJ
+	Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
+	log_k -45.035
+	delta_h -0 kJ
 Mackinawite
 	FeS + H+ = Fe+2 + HS-
-	log_k	-3.6
-	delta_h	-0	kJ
+	log_k -3.6
+	delta_h -0 kJ
 Pyrite
-	FeS2 + 2H+ + 2e- = Fe+2 + 2HS-
-	log_k	-18.5082
-	delta_h	49.844	kJ
+	FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+	log_k -18.5082
+	delta_h 49.844 kJ
 MnS(grn)
 	MnS + H+ = Mn+2 + HS-
-	log_k	0.17
-	delta_h	-32	kJ
+	log_k 0.17
+	delta_h -32 kJ
 MnS(pnk)
 	MnS + H+ = Mn+2 + HS-
-	log_k	3.34
-	delta_h	-0	kJ
+	log_k 3.34
+	delta_h -0 kJ
 MoS2
-	MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e-
-	log_k	-70.2596
-	delta_h	389.02	kJ
+	MoS2 + 4 H2O = MoO4-2 + 6 H+ + 2 HS- + 2 e-
+	log_k -70.2596
+	delta_h 389.02 kJ
 BeS
 	BeS + H+ = Be+2 + HS-
-	log_k	19.38
-	delta_h	-0	kJ
+	log_k 19.38
+	delta_h -0 kJ
 BaS
 	BaS + H+ = Ba+2 + HS-
-	log_k	16.18
-	delta_h	-0	kJ
+	log_k 16.18
+	delta_h -0 kJ
 Hg2(Cyanide)2
-	Hg2(Cyanide)2 = Hg2+2 + 2Cyanide-
-	log_k	-39.3
-	delta_h	-0	kJ
+	Hg2(Cyanide)2 = Hg2+2 + 2 Cyanide-
+	log_k -39.3
+	delta_h -0 kJ
 CuCyanide
 	CuCyanide = Cu+ + Cyanide-
-	log_k	-19.5
-	delta_h	-19	kJ
+	log_k -19.5
+	delta_h -19 kJ
 AgCyanide
 	AgCyanide = Ag+ + Cyanide-
-	log_k	-15.74
-	delta_h	110.395	kJ
+	log_k -15.74
+	delta_h 110.395 kJ
 Ag2(Cyanide)2
-	Ag2(Cyanide)2 = 2Ag+ + 2Cyanide-
-	log_k	-11.3289
-	delta_h	-0	kJ
+	Ag2(Cyanide)2 = 2 Ag+ + 2 Cyanide-
+	log_k -11.3289
+	delta_h -0 kJ
 NaCyanide(cubic)
 	NaCyanide = Cyanide- + Na+
-	log_k	1.6012
-	delta_h	0.969	kJ
+	log_k 1.6012
+	delta_h 0.969 kJ
 KCyanide(cubic)
 	KCyanide = Cyanide- + K+
-	log_k	1.4188
-	delta_h	11.93	kJ
+	log_k 1.4188
+	delta_h 11.93 kJ
 Pb2Fe(Cyanide)6
-	Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide-
-	log_k	-53.42
-	delta_h	-0	kJ
+	Pb2Fe(Cyanide)6 = 2 Pb+2 + Fe+2 + 6 Cyanide-
+	log_k -53.42
+	delta_h -0 kJ
 Zn2Fe(Cyanide)6
-	Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide-
-	log_k	-51.08
-	delta_h	-0	kJ
+	Zn2Fe(Cyanide)6 = 2 Zn+2 + Fe+2 + 6 Cyanide-
+	log_k -51.08
+	delta_h -0 kJ
 Cd2Fe(Cyanide)6
-	Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide-
-	log_k	-52.78
-	delta_h	-0	kJ
+	Cd2Fe(Cyanide)6 = 2 Cd+2 + Fe+2 + 6 Cyanide-
+	log_k -52.78
+	delta_h -0 kJ
 Ag4Fe(Cyanide)6
-	Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide-
-	log_k	-79.47
-	delta_h	-0	kJ
+	Ag4Fe(Cyanide)6 = 4 Ag+ + Fe+2 + 6 Cyanide-
+	log_k -79.47
+	delta_h -0 kJ
 Ag3Fe(Cyanide)6
-	Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide-
-	log_k	-72.7867
-	delta_h	-0	kJ
+	Ag3Fe(Cyanide)6 = 3 Ag+ + Fe+3 + 6 Cyanide-
+	log_k -72.7867
+	delta_h -0 kJ
 Mn3(Fe(Cyanide)6)2
-	Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide-
-	log_k	-105.4
-	delta_h	-0	kJ
+	Mn3(Fe(Cyanide)6)2 = 3 Mn+2 + 2 Fe+3 + 12 Cyanide-
+	log_k -105.4
+	delta_h -0 kJ
 Sb2Se3
-	Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+
-	log_k	-67.7571
-	delta_h	343.046	kJ
+	Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+
+	log_k -67.7571
+	delta_h 343.046 kJ
 SnSe
-	SnSe + 2H2O = Sn(OH)2 + H+ + HSe-
-	log_k	-30.494
-	delta_h	-0	kJ
+	SnSe + 2 H2O = Sn(OH)2 + H+ + HSe-
+	log_k -30.494
+	delta_h -0 kJ
 SnSe2
-	SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe-
-	log_k	-65.1189
-	delta_h	-0	kJ
+	SnSe2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HSe-
+	log_k -65.1189
+	delta_h -0 kJ
 Clausthalite
 	PbSe + H+ = Pb+2 + HSe-
-	log_k	-27.1
-	delta_h	119.72	kJ
+	log_k -27.1
+	delta_h 119.72 kJ
 Tl2Se
-	Tl2Se + H+ = 2Tl+ + HSe-
-	log_k	-18.1
-	delta_h	85.62	kJ
+	Tl2Se + H+ = 2 Tl+ + HSe-
+	log_k -18.1
+	delta_h 85.62 kJ
 ZnSe
 	ZnSe + H+ = Zn+2 + HSe-
-	log_k	-14.4
-	delta_h	25.51	kJ
+	log_k -14.4
+	delta_h 25.51 kJ
 CdSe
 	CdSe + H+ = Cd+2 + HSe-
-	log_k	-20.2
-	delta_h	75.9814	kJ
+	log_k -20.2
+	delta_h 75.9814 kJ
 HgSe
-	HgSe + 2H2O = Hg(OH)2 + H+ + HSe-
-	log_k	-55.694
-	delta_h	-0	kJ
+	HgSe + 2 H2O = Hg(OH)2 + H+ + HSe-
+	log_k -55.694
+	delta_h -0 kJ
 Cu2Se(alpha)
-	Cu2Se + H+ = 2Cu+ + HSe-
-	log_k	-45.8
-	delta_h	214.263	kJ
+	Cu2Se + H+ = 2 Cu+ + HSe-
+	log_k -45.8
+	delta_h 214.263 kJ
 Cu3Se2
-	Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2
-	log_k	-63.4911
-	delta_h	340.327	kJ
+	Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2
+	log_k -63.4911
+	delta_h 340.327 kJ
 CuSe
 	CuSe + H+ = Cu+2 + HSe-
-	log_k	-33.1
-	delta_h	121.127	kJ
+	log_k -33.1
+	delta_h 121.127 kJ
 CuSe2
-	CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2
-	log_k	-33.3655
-	delta_h	140.582	kJ
+	CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2
+	log_k -33.3655
+	delta_h 140.582 kJ
 Ag2Se
-	Ag2Se + H+ = 2Ag+ + HSe-
-	log_k	-48.7
-	delta_h	265.48	kJ
+	Ag2Se + H+ = 2 Ag+ + HSe-
+	log_k -48.7
+	delta_h 265.48 kJ
 NiSe
 	NiSe + H+ = Ni+2 + HSe-
-	log_k	-17.7
-	delta_h	-0	kJ
+	log_k -17.7
+	delta_h -0 kJ
 CoSe
 	CoSe + H+ = Co+2 + HSe-
-	log_k	-16.2
-	delta_h	-0	kJ
+	log_k -16.2
+	delta_h -0 kJ
 FeSe
 	FeSe + H+ = Fe+2 + HSe-
-	log_k	-11
-	delta_h	2.092	kJ
+	log_k -11
+	delta_h 2.092 kJ
 Ferroselite
-	FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2
-	log_k	-18.5959
-	delta_h	47.2792	kJ
+	FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2
+	log_k -18.5959
+	delta_h 47.2792 kJ
 MnSe
 	MnSe + H+ = Mn+2 + HSe-
-	log_k	3.5
-	delta_h	-98.15	kJ
+	log_k 3.5
+	delta_h -98.15 kJ
 AlSb
-	AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+
-	log_k	65.6241
-	delta_h	-0	kJ
+	AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+
+	log_k 65.6241
+	delta_h -0 kJ
 ZnSb
-	ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+
-	log_k	11.0138
-	delta_h	-54.8773	kJ
+	ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+
+	log_k 11.0138
+	delta_h -54.8773 kJ
 CdSb
-	CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2
-	log_k	-0.3501
-	delta_h	22.36	kJ
+	CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2
+	log_k -0.3501
+	delta_h 22.36 kJ
 Cu2Sb:3H2O
-	Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2
-	log_k	-34.8827
-	delta_h	233.237	kJ
+	Cu2Sb:3H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2
+	log_k -34.8827
+	delta_h 233.237 kJ
 Cu3Sb
-	Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+
-	log_k	-42.5937
-	delta_h	308.131	kJ
+	Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+
+	log_k -42.5937
+	delta_h 308.131 kJ
 #Ag4Sb
 #	Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+
 #	log_k	-56.1818
 #	delta_h	-0	kJ
 Breithauptite
-	NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2
-	log_k	-18.5225
-	delta_h	96.0019	kJ
+	NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2
+	log_k -18.5225
+	delta_h 96.0019 kJ
 MnSb
-	MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+
-	log_k	-2.9099
-	delta_h	21.1083	kJ
+	MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+
+	log_k -2.9099
+	delta_h 21.1083 kJ
 Mn2Sb
-	Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+
-	log_k	61.0796
-	delta_h	-0	kJ
+	Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+
+	log_k 61.0796
+	delta_h -0 kJ
 USb2
-	USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+
-	log_k	29.5771
-	delta_h	-103.56	kJ
+	USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+
+	log_k 29.5771
+	delta_h -103.56 kJ
 U3Sb4
-	U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+
-	log_k	152.383
-	delta_h	-986.04	kJ
+	U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+
+	log_k 152.383
+	delta_h -986.04 kJ
 Mg2Sb3
-	Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e-
-	log_k	74.6838
-	delta_h	-0	kJ
+	Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e-
+	log_k 74.6838
+	delta_h -0 kJ
 Ca3Sb2
-	Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e-
-	log_k	142.974
-	delta_h	-732.744	kJ
+	Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e-
+	log_k 142.974
+	delta_h -732.744 kJ
 NaSb
-	NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e-
-	log_k	23.1658
-	delta_h	-93.45	kJ
+	NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e-
+	log_k 23.1658
+	delta_h -93.45 kJ
 Na3Sb
-	Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e-
-	log_k	94.4517
-	delta_h	-432.13	kJ
+	Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e-
+	log_k 94.4517
+	delta_h -432.13 kJ
 SeO2
 	SeO2 + H2O = HSeO3- + H+
-	log_k	0.1246
-	delta_h	1.4016	kJ
+	log_k 0.1246
+	delta_h 1.4016 kJ
 SeO3
-	SeO3 + H2O = SeO4-2 + 2H+
-	log_k	21.044
-	delta_h	-146.377	kJ
+	SeO3 + H2O = SeO4-2 + 2 H+
+	log_k 21.044
+	delta_h -146.377 kJ
 Sb2O5
-	Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+
-	log_k	-9.6674
-	delta_h	-0	kJ
+	Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+
+	log_k -9.6674
+	delta_h -0 kJ
 SbO2
-	SbO2 + 4H2O = Sb(OH)6- + e- + 2H+
-	log_k	-27.8241
-	delta_h	-0	kJ
+	SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+
+	log_k -27.8241
+	delta_h -0 kJ
 Sb2O4
-	Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3
-	log_k	3.4021
-	delta_h	-68.04	kJ
+	Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3
+	log_k 3.4021
+	delta_h -68.04 kJ
 Sb4O6(cubic)
-	Sb4O6 + 6H2O = 4Sb(OH)3
-	log_k	-18.2612
-	delta_h	61.1801	kJ
+	Sb4O6 + 6 H2O = 4 Sb(OH)3
+	log_k -18.2612
+	delta_h 61.1801 kJ
 Sb4O6(orth)
-	Sb4O6 + 6H2O = 4Sb(OH)3
-	log_k	-17.9012
-	delta_h	37.6801	kJ
+	Sb4O6 + 6 H2O = 4 Sb(OH)3
+	log_k -17.9012
+	delta_h 37.6801 kJ
 Sb(OH)3
 	Sb(OH)3 = Sb(OH)3
-	log_k	-7.1099
-	delta_h	30.1248	kJ
+	log_k -7.1099
+	delta_h 30.1248 kJ
 Senarmontite
-	Sb2O3 + 3H2O = 2Sb(OH)3
-	log_k	-12.3654
-	delta_h	30.6478	kJ
+	Sb2O3 + 3 H2O = 2 Sb(OH)3
+	log_k -12.3654
+	delta_h 30.6478 kJ
 Valentinite
-	Sb2O3 + 3H2O = 2Sb(OH)3
-	log_k	-8.4806
-	delta_h	19.0163	kJ
+	Sb2O3 + 3 H2O = 2 Sb(OH)3
+	log_k -8.4806
+	delta_h 19.0163 kJ
 Chalcedony
-	SiO2 + 2H2O = H4SiO4
-	log_k	-3.55
-	delta_h	19.7	kJ
+	SiO2 + 2 H2O = H4SiO4
+	log_k -3.55
+	delta_h 19.7 kJ
 Cristobalite
-	SiO2 + 2H2O = H4SiO4
-	log_k	-3.35
-	delta_h	20.006	kJ
+	SiO2 + 2 H2O = H4SiO4
+	log_k -3.35
+	delta_h 20.006 kJ
 Quartz
-	SiO2 + 2H2O = H4SiO4
-	log_k	-4
-	delta_h	22.36	kJ
+	SiO2 + 2 H2O = H4SiO4
+	log_k -4
+	delta_h 22.36 kJ
 SiO2(am-gel)
-	SiO2 + 2H2O = H4SiO4
-	log_k	-2.71
-	delta_h	14	kJ
+	SiO2 + 2 H2O = H4SiO4
+	log_k -2.71
+	delta_h 14 kJ
 SiO2(am-ppt)
-	SiO2 + 2H2O = H4SiO4
-	log_k	-2.74
-	delta_h	15.15	kJ
+	SiO2 + 2 H2O = H4SiO4
+	log_k -2.74
+	delta_h 15.15 kJ
 SnO
 	SnO + H2O = Sn(OH)2
-	log_k	-4.9141
-	delta_h	-0	kJ
+	log_k -4.9141
+	delta_h -0 kJ
 SnO2
-	SnO2 + 4H2O = Sn(OH)6-2 + 2H+
-	log_k	-28.9749
-	delta_h	-0	kJ
+	SnO2 + 4 H2O = Sn(OH)6-2 + 2 H+
+	log_k -28.9749
+	delta_h -0 kJ
 Sn(OH)2
 	Sn(OH)2 = Sn(OH)2
-	log_k	-5.4309
-	delta_h	-0	kJ
+	log_k -5.4309
+	delta_h -0 kJ
 Sn(OH)4
-	Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+
-	log_k	-22.2808
-	delta_h	-0	kJ
+	Sn(OH)4 + 2 H2O = Sn(OH)6-2 + 2 H+
+	log_k -22.2808
+	delta_h -0 kJ
 H2Sn(OH)6
-	H2Sn(OH)6 = Sn(OH)6-2 + 2H+
-	log_k	-23.5281
-	delta_h	-0	kJ
+	H2Sn(OH)6 = Sn(OH)6-2 + 2 H+
+	log_k -23.5281
+	delta_h -0 kJ
 Massicot
-	PbO + 2H+ = Pb+2 + H2O
-	log_k	12.894
-	delta_h	-66.848	kJ
+	PbO + 2 H+ = Pb+2 + H2O
+	log_k 12.894
+	delta_h -66.848 kJ
 Litharge
-	PbO + 2H+ = Pb+2 + H2O
-	log_k	12.694
-	delta_h	-65.501	kJ
+	PbO + 2 H+ = Pb+2 + H2O
+	log_k 12.694
+	delta_h -65.501 kJ
 PbO:0.3H2O
-	PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O
-	log_k	12.98
-	delta_h	-0	kJ
+	PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
+	log_k 12.98
+	delta_h -0 kJ
 Plattnerite
-	PbO2 + 4H+ + 2e- = Pb+2 + 2H2O
-	log_k	49.6001
-	delta_h	-296.27	kJ
+	PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
+	log_k 49.6001
+	delta_h -296.27 kJ
 Pb(OH)2
-	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
-	log_k	8.15
-	delta_h	-58.5342	kJ
+	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+	log_k 8.15
+	delta_h -58.5342 kJ
 Pb2O(OH)2
-	Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O
-	log_k	26.188
-	delta_h	-0	kJ
+	Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
+	log_k 26.188
+	delta_h -0 kJ
 Al(OH)3(am)
-	Al(OH)3 + 3H+ = Al+3 + 3H2O
-	log_k	10.8
-	delta_h	-111	kJ
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	log_k 10.8
+	delta_h -111 kJ
 Boehmite
-	AlOOH + 3H+ = Al+3 + 2H2O
-	log_k	8.578
-	delta_h	-117.696	kJ
+	AlOOH + 3 H+ = Al+3 + 2 H2O
+	log_k 8.578
+	delta_h -117.696 kJ
 Diaspore
-	AlOOH + 3H+ = Al+3 + 2H2O
-	log_k	6.873
-	delta_h	-103.052	kJ
+	AlOOH + 3 H+ = Al+3 + 2 H2O
+	log_k 6.873
+	delta_h -103.052 kJ
 Gibbsite
-	Al(OH)3 + 3H+ = Al+3 + 3H2O
-	log_k	8.291
-	delta_h	-95.3952	kJ
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	log_k 8.291
+	delta_h -95.3952 kJ
 Tl2O
-	Tl2O + 2H+ = 2Tl+ + H2O
-	log_k	27.0915
-	delta_h	-96.41	kJ
+	Tl2O + 2 H+ = 2 Tl+ + H2O
+	log_k 27.0915
+	delta_h -96.41 kJ
 TlOH
 	TlOH + H+ = Tl+ + H2O
-	log_k	12.9186
-	delta_h	-41.57	kJ
+	log_k 12.9186
+	delta_h -41.57 kJ
 Avicennite
-	Tl2O3 + 3H2O = 2Tl(OH)3
-	log_k	-13
-	delta_h	-0	kJ
+	Tl2O3 + 3 H2O = 2 Tl(OH)3
+	log_k -13
+	delta_h -0 kJ
 Tl(OH)3
 	Tl(OH)3 = Tl(OH)3
-	log_k	-5.441
-	delta_h	-0	kJ
+	log_k -5.441
+	delta_h -0 kJ
 Zn(OH)2(am)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	12.474
-	delta_h	-80.62	kJ
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k 12.474
+	delta_h -80.62 kJ
 Zn(OH)2
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	12.2
-	delta_h	-0	kJ
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k 12.2
+	delta_h -0 kJ
 Zn(OH)2(beta)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.754
-	delta_h	-83.14	kJ
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k 11.754
+	delta_h -83.14 kJ
 Zn(OH)2(gamma)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.734
-	delta_h	-0	kJ
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k 11.734
+	delta_h -0 kJ
 Zn(OH)2(epsilon)
-	Zn(OH)2 + 2H+ = Zn+2 + 2H2O
-	log_k	11.534
-	delta_h	-81.8	kJ
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	log_k 11.534
+	delta_h -81.8 kJ
 ZnO(active)
-	ZnO + 2H+ = Zn+2 + H2O
-	log_k	11.1884
-	delta_h	-88.76	kJ
+	ZnO + 2 H+ = Zn+2 + H2O
+	log_k 11.1884
+	delta_h -88.76 kJ
 Zincite
-	ZnO + 2H+ = Zn+2 + H2O
-	log_k	11.334
-	delta_h	-89.62	kJ
+	ZnO + 2 H+ = Zn+2 + H2O
+	log_k 11.334
+	delta_h -89.62 kJ
 Cd(OH)2(am)
-	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-	log_k	13.73
-	delta_h	-86.9017	kJ
+	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+	log_k 13.73
+	delta_h -86.9017 kJ
 Cd(OH)2
-	Cd(OH)2 + 2H+ = Cd+2 + 2H2O
-	log_k	13.644
-	delta_h	-94.62	kJ
+	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+	log_k 13.644
+	delta_h -94.62 kJ
 Monteponite
-	CdO + 2H+ = Cd+2 + H2O
-	log_k	15.1034
-	delta_h	-103.4	kJ
+	CdO + 2 H+ = Cd+2 + H2O
+	log_k 15.1034
+	delta_h -103.4 kJ
 Hg2(OH)2
-	Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O
-	log_k	5.2603
-	delta_h	-0	kJ
+	Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O
+	log_k 5.2603
+	delta_h -0 kJ
 Montroydite
 	HgO + H2O = Hg(OH)2
-	log_k	-3.64
-	delta_h	-38.9	kJ
+	log_k -3.64
+	delta_h -38.9 kJ
 Hg(OH)2
 	Hg(OH)2 = Hg(OH)2
-	log_k	-3.4963
-	delta_h	-0	kJ
+	log_k -3.4963
+	delta_h -0 kJ
 Cuprite
-	Cu2O + 2H+ = 2Cu+ + H2O
-	log_k	-1.406
-	delta_h	-124.02	kJ
+	Cu2O + 2 H+ = 2 Cu+ + H2O
+	log_k -1.406
+	delta_h -124.02 kJ
 Cu(OH)2
-	Cu(OH)2 + 2H+ = Cu+2 + 2H2O
-	log_k	8.674
-	delta_h	-56.42	kJ
+	Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
+	log_k 8.674
+	delta_h -56.42 kJ
 Tenorite
-	CuO + 2H+ = Cu+2 + H2O
-	log_k	7.644
-	delta_h	-64.867	kJ
+	CuO + 2 H+ = Cu+2 + H2O
+	log_k 7.644
+	delta_h -64.867 kJ
 Ag2O
-	Ag2O + 2H+ = 2Ag+ + H2O
-	log_k	12.574
-	delta_h	-45.62	kJ
+	Ag2O + 2 H+ = 2 Ag+ + H2O
+	log_k 12.574
+	delta_h -45.62 kJ
 Ni(OH)2
-	Ni(OH)2 + 2H+ = Ni+2 + 2H2O
-	log_k	12.794
-	delta_h	-95.96	kJ
+	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+	log_k 12.794
+	delta_h -95.96 kJ
 Bunsenite
-	NiO + 2H+ = Ni+2 + H2O
-	log_k	12.4456
-	delta_h	-100.13	kJ
+	NiO + 2 H+ = Ni+2 + H2O
+	log_k 12.4456
+	delta_h -100.13 kJ
 CoO
-	CoO + 2H+ = Co+2 + H2O
-	log_k	13.5864
-	delta_h	-106.295	kJ
+	CoO + 2 H+ = Co+2 + H2O
+	log_k 13.5864
+	delta_h -106.295 kJ
 Co(OH)2
-	Co(OH)2 + 2H+ = Co+2 + 2H2O
-	log_k	13.094
-	delta_h	-0	kJ
+	Co(OH)2 + 2 H+ = Co+2 + 2 H2O
+	log_k 13.094
+	delta_h -0 kJ
 Co(OH)3
-	Co(OH)3 + 3H+ = Co+3 + 3H2O
-	log_k	-2.309
-	delta_h	-92.43	kJ
+	Co(OH)3 + 3 H+ = Co+3 + 3 H2O
+	log_k -2.309
+	delta_h -92.43 kJ
 #Wustite-0.11
 #	WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O
 #	log_k	11.6879
 #	delta_h	-103.938	kJ
 Fe(OH)2
-	Fe(OH)2 + 2H+ = Fe+2 + 2H2O
-	log_k	13.564
-	delta_h	-0	kJ
+	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
+	log_k 13.564
+	delta_h -0 kJ
 Ferrihydrite
-	Fe(OH)3 + 3H+ = Fe+3 + 3H2O
-	log_k	3.191
-	delta_h	-73.374	kJ
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	log_k 3.191
+	delta_h -73.374 kJ
 Fe3(OH)8
-	Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O
-	log_k	20.222
-	delta_h	-0	kJ
+	Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
+	log_k 20.222
+	delta_h -0 kJ
 Goethite
-	FeOOH + 3H+ = Fe+3 + 2H2O
-	log_k	0.491
-	delta_h	-60.5843	kJ
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	log_k 0.491
+	delta_h -60.5843 kJ
 Pyrolusite
-	MnO2 + 4H+ + 2e- = Mn+2 + 2H2O
-	log_k	41.38
-	delta_h	-272	kJ
+	MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+	log_k 41.38
+	delta_h -272 kJ
 Birnessite
-	MnO2 + 4H+ + e- = Mn+3 + 2H2O
-	log_k	18.091
-	delta_h	-0	kJ
+	MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
+	log_k 18.091
+	delta_h -0 kJ
 Nsutite
-	MnO2 + 4H+ + e- = Mn+3 + 2H2O
-	log_k	17.504
-	delta_h	-0	kJ
+	MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
+	log_k 17.504
+	delta_h -0 kJ
 Pyrochroite
-	Mn(OH)2 + 2H+ = Mn+2 + 2H2O
-	log_k	15.194
-	delta_h	-97.0099	kJ
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	log_k 15.194
+	delta_h -97.0099 kJ
 Manganite
-	MnOOH + 3H+ + e- = Mn+2 + 2H2O
-	log_k	25.34
-	delta_h	-0	kJ
+	MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+	log_k 25.34
+	delta_h -0 kJ
 Cr(OH)2
-	Cr(OH)2 + 2H+ = Cr+2 + 2H2O
-	log_k	10.8189
-	delta_h	-35.6058	kJ
+	Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O
+	log_k 10.8189
+	delta_h -35.6058 kJ
 Cr(OH)3(am)
 	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-	log_k	-0.75
-	delta_h	-0	kJ
+	log_k -0.75
+	delta_h -0 kJ
 Cr(OH)3
 	Cr(OH)3 + H+ = Cr(OH)2+ + H2O
-	log_k	1.3355
-	delta_h	-29.7692	kJ
+	log_k 1.3355
+	delta_h -29.7692 kJ
 CrO3
-	CrO3 + H2O = CrO4-2 + 2H+
-	log_k	-3.2105
-	delta_h	-5.2091	kJ
+	CrO3 + H2O = CrO4-2 + 2 H+
+	log_k -3.2105
+	delta_h -5.2091 kJ
 MoO3
-	MoO3 + H2O = MoO4-2 + 2H+
-	log_k	-8
-	delta_h	-0	kJ
+	MoO3 + H2O = MoO4-2 + 2 H+
+	log_k -8
+	delta_h -0 kJ
 VO
-	VO + 2H+ = V+3 + H2O + e-
-	log_k	14.7563
-	delta_h	-113.041	kJ
+	VO + 2 H+ = V+3 + H2O + e-
+	log_k 14.7563
+	delta_h -113.041 kJ
 V(OH)3
-	V(OH)3 + 3H+ = V+3 + 3H2O
-	log_k	7.591
-	delta_h	-0	kJ
+	V(OH)3 + 3 H+ = V+3 + 3 H2O
+	log_k 7.591
+	delta_h -0 kJ
 VO(OH)2
-	VO(OH)2 + 2H+ = VO+2 + 2H2O
-	log_k	5.1506
-	delta_h	-0	kJ
+	VO(OH)2 + 2 H+ = VO+2 + 2 H2O
+	log_k 5.1506
+	delta_h -0 kJ
 Uraninite
-	UO2 + 4H+ = U+4 + 2H2O
-	log_k	-4.6693
-	delta_h	-77.86	kJ
+	UO2 + 4 H+ = U+4 + 2 H2O
+	log_k -4.6693
+	delta_h -77.86 kJ
 UO2(am)
-	UO2 + 4H+ = U+4 + 2H2O
-	log_k	0.934
-	delta_h	-109.746	kJ
+	UO2 + 4 H+ = U+4 + 2 H2O
+	log_k 0.934
+	delta_h -109.746 kJ
 UO3
-	UO3 + 2H+ = UO2+2 + H2O
-	log_k	7.7
-	delta_h	-81.0299	kJ
+	UO3 + 2 H+ = UO2+2 + H2O
+	log_k 7.7
+	delta_h -81.0299 kJ
 Gummite
-	UO3 + 2H+ = UO2+2 + H2O
-	log_k	7.6718
-	delta_h	-81.0299	kJ
+	UO3 + 2 H+ = UO2+2 + H2O
+	log_k 7.6718
+	delta_h -81.0299 kJ
 UO2(OH)2(beta)
-	UO2(OH)2 + 2H+ = UO2+2 + 2H2O
-	log_k	5.6116
-	delta_h	-56.7599	kJ
+	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+	log_k 5.6116
+	delta_h -56.7599 kJ
 Schoepite
-	UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O
-	log_k	5.994
-	delta_h	-49.79	kJ
+	UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
+	log_k 5.994
+	delta_h -49.79 kJ
 Be(OH)2(am)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	7.194
-	delta_h	-0	kJ
+	Be(OH)2 + 2 H+ = Be+2 + 2 H2O
+	log_k 7.194
+	delta_h -0 kJ
 Be(OH)2(alpha)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	6.894
-	delta_h	-0	kJ
+	Be(OH)2 + 2 H+ = Be+2 + 2 H2O
+	log_k 6.894
+	delta_h -0 kJ
 Be(OH)2(beta)
-	Be(OH)2 + 2H+ = Be+2 + 2H2O
-	log_k	6.494
-	delta_h	-0	kJ
+	Be(OH)2 + 2 H+ = Be+2 + 2 H2O
+	log_k 6.494
+	delta_h -0 kJ
 Brucite
-	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-	log_k	16.844
-	delta_h	-113.996	kJ
+	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k 16.844
+	delta_h -113.996 kJ
 Periclase
-	MgO + 2H+ = Mg+2 + H2O
-	log_k	21.5841
-	delta_h	-151.23	kJ
+	MgO + 2 H+ = Mg+2 + H2O
+	log_k 21.5841
+	delta_h -151.23 kJ
 Mg(OH)2(active)
-	Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-	log_k	18.794
-	delta_h	-0	kJ
+	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k 18.794
+	delta_h -0 kJ
 Lime
-	CaO + 2H+ = Ca+2 + H2O
-	log_k	32.6993
-	delta_h	-193.91	kJ
+	CaO + 2 H+ = Ca+2 + H2O
+	log_k 32.6993
+	delta_h -193.91 kJ
 Portlandite
-	Ca(OH)2 + 2H+ = Ca+2 + 2H2O
-	log_k	22.804
-	delta_h	-128.62	kJ
+	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+	log_k 22.804
+	delta_h -128.62 kJ
 Ba(OH)2:8H2O
-	Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O
-	log_k	24.394
-	delta_h	-54.32	kJ
+	Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O
+	log_k 24.394
+	delta_h -54.32 kJ
 Cu(SbO3)2
-	Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2
-	log_k	45.2105
-	delta_h	-0	kJ
+	Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2
+	log_k 45.2105
+	delta_h -0 kJ
 Arsenolite
-	As4O6 + 6H2O = 4H3AsO3
-	log_k	-2.76
-	delta_h	59.9567	kJ
+	As4O6 + 6 H2O = 4 H3AsO3
+	log_k -2.76
+	delta_h 59.9567 kJ
 Claudetite
-	As4O6 + 6H2O = 4H3AsO3
-	log_k	-3.065
-	delta_h	55.6054	kJ
+	As4O6 + 6 H2O = 4 H3AsO3
+	log_k -3.065
+	delta_h 55.6054 kJ
 As2O5
-	As2O5 + 3H2O = 2H3AsO4
-	log_k	6.7061
-	delta_h	-22.64	kJ
+	As2O5 + 3 H2O = 2 H3AsO4
+	log_k 6.7061
+	delta_h -22.64 kJ
 Pb2O3
-	Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O
-	log_k	61.04
-	delta_h	-0	kJ
+	Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
+	log_k 61.04
+	delta_h -0 kJ
 Minium
-	Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O
-	log_k	73.5219
-	delta_h	-421.874	kJ
+	Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
+	log_k 73.5219
+	delta_h -421.874 kJ
 Al2O3
-	Al2O3 + 6H+ = 2Al+3 + 3H2O
-	log_k	19.6524
-	delta_h	-258.59	kJ
+	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
+	log_k 19.6524
+	delta_h -258.59 kJ
 Co3O4
-	Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O
-	log_k	-10.4956
-	delta_h	-107.5	kJ
+	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
+	log_k -10.4956
+	delta_h -107.5 kJ
 CoFe2O4
-	CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O
-	log_k	-3.5281
-	delta_h	-158.82	kJ
+	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
+	log_k -3.5281
+	delta_h -158.82 kJ
 Magnetite
-	Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O
-	log_k	3.4028
-	delta_h	-208.526	kJ
+	Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+	log_k 3.4028
+	delta_h -208.526 kJ
 Hercynite
-	FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O
-	log_k	22.893
-	delta_h	-313.92	kJ
+	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
+	log_k 22.893
+	delta_h -313.92 kJ
 Hematite
-	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-	log_k	-1.418
-	delta_h	-128.987	kJ
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	log_k -1.418
+	delta_h -128.987 kJ
 Maghemite
-	Fe2O3 + 6H+ = 2Fe+3 + 3H2O
-	log_k	6.386
-	delta_h	-0	kJ
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	log_k 6.386
+	delta_h -0 kJ
 Lepidocrocite
-	FeOOH + 3H+ = Fe+3 + 2H2O
-	log_k	1.371
-	delta_h	-0	kJ
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	log_k 1.371
+	delta_h -0 kJ
 Hausmannite
-	Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O
-	log_k	61.03
-	delta_h	-421	kJ
+	Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+	log_k 61.03
+	delta_h -421 kJ
 Bixbyite
-	Mn2O3 + 6H+ = 2Mn+3 + 3H2O
-	log_k	-0.6445
-	delta_h	-124.49	kJ
+	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+	log_k -0.6445
+	delta_h -124.49 kJ
 Cr2O3
-	Cr2O3 + H2O + 2H+ = 2Cr(OH)2+
-	log_k	-2.3576
-	delta_h	-50.731	kJ
+	Cr2O3 + H2O + 2 H+ = 2 Cr(OH)2+
+	log_k -2.3576
+	delta_h -50.731 kJ
 #V2O3
 #	V2O3 + 3H+ = V+3 + 1.5H2O
 #	log_k	4.9
 #	delta_h	-82.5085	kJ
 V3O5
-	V3O5 + 4H+ = 3VO+2 + 2H2O + 2e-
-	log_k	1.8361
-	delta_h	-98.46	kJ
+	V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e-
+	log_k 1.8361
+	delta_h -98.46 kJ
 #V2O4
 #	V2O4 + 2H+ = VO+2 + H2O
 #	log_k	4.27
 #	delta_h	-58.8689	kJ
 V4O7
-	V4O7 + 6H+ = 4VO+2 + 3H2O + 2e-
-	log_k	7.1865
-	delta_h	-163.89	kJ
+	V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e-
+	log_k 7.1865
+	delta_h -163.89 kJ
 V6O13
-	V6O13 + 2H+ = 6VO2+ + H2O + 4e-
-	log_k	-60.86
-	delta_h	271.5	kJ
+	V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e-
+	log_k -60.86
+	delta_h 271.5 kJ
 V2O5
-	V2O5 + 2H+ = 2VO2+ + H2O
-	log_k	-1.36
-	delta_h	34	kJ
+	V2O5 + 2 H+ = 2 VO2+ + H2O
+	log_k -1.36
+	delta_h 34 kJ
 U4O9
-	U4O9 + 18H+ + 2e- = 4U+4 + 9H2O
-	log_k	-3.0198
-	delta_h	-426.87	kJ
+	U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
+	log_k -3.0198
+	delta_h -426.87 kJ
 U3O8
-	U3O8 + 16H+ + 4e- = 3U+4 + 8H2O
-	log_k	21.0834
-	delta_h	-485.44	kJ
+	U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
+	log_k 21.0834
+	delta_h -485.44 kJ
 Spinel
-	MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O
-	log_k	36.8476
-	delta_h	-388.012	kJ
+	MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
+	log_k 36.8476
+	delta_h -388.012 kJ
 Magnesioferrite
-	Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O
-	log_k	16.8597
-	delta_h	-278.92	kJ
+	Fe2MgO4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
+	log_k 16.8597
+	delta_h -278.92 kJ
 Natron
-	Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O
-	log_k	-1.311
-	delta_h	65.8771	kJ
+	Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
+	log_k -1.311
+	delta_h 65.8771 kJ
 Cuprousferrite
-	CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O
-	log_k	-8.9171
-	delta_h	-15.89	kJ
+	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+	log_k -8.9171
+	delta_h -15.89 kJ
 Cupricferrite
-	CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O
-	log_k	5.9882
-	delta_h	-210.21	kJ
+	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+	log_k 5.9882
+	delta_h -210.21 kJ
 FeCr2O4
-	FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2
-	log_k	7.2003
-	delta_h	-140.4	kJ
+	FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2
+	log_k 7.2003
+	delta_h -140.4 kJ
 MgCr2O4
-	MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2
-	log_k	16.2007
-	delta_h	-179.4	kJ
+	MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2
+	log_k 16.2007
+	delta_h -179.4 kJ
 SbF3
-	SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F-
-	log_k	-10.2251
-	delta_h	-6.7279	kJ
+	SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F-
+	log_k -10.2251
+	delta_h -6.7279 kJ
 PbF2
-	PbF2 = Pb+2 + 2F-
-	log_k	-7.44
-	delta_h	20	kJ
+	PbF2 = Pb+2 + 2 F-
+	log_k -7.44
+	delta_h 20 kJ
 ZnF2
-	ZnF2 = Zn+2 + 2F-
-	log_k	-0.5343
-	delta_h	-59.69	kJ
+	ZnF2 = Zn+2 + 2 F-
+	log_k -0.5343
+	delta_h -59.69 kJ
 CdF2
-	CdF2 = Cd+2 + 2F-
-	log_k	-1.2124
-	delta_h	-46.22	kJ
+	CdF2 = Cd+2 + 2 F-
+	log_k -1.2124
+	delta_h -46.22 kJ
 Hg2F2
-	Hg2F2 = Hg2+2 + 2F-
-	log_k	-10.3623
-	delta_h	-18.486	kJ
+	Hg2F2 = Hg2+2 + 2 F-
+	log_k -10.3623
+	delta_h -18.486 kJ
 CuF
 	CuF = Cu+ + F-
-	log_k	-4.9056
-	delta_h	16.648	kJ
+	log_k -4.9056
+	delta_h 16.648 kJ
 CuF2
-	CuF2 = Cu+2 + 2F-
-	log_k	1.115
-	delta_h	-66.901	kJ
+	CuF2 = Cu+2 + 2 F-
+	log_k 1.115
+	delta_h -66.901 kJ
 CuF2:2H2O
-	CuF2:2H2O = Cu+2 + 2F- + 2H2O
-	log_k	-4.55
-	delta_h	-15.2716	kJ
+	CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+	log_k -4.55
+	delta_h -15.2716 kJ
 AgF:4H2O
-	AgF:4H2O = Ag+ + F- + 4H2O
-	log_k	1.0491
-	delta_h	15.4202	kJ
+	AgF:4H2O = Ag+ + F- + 4 H2O
+	log_k 1.0491
+	delta_h 15.4202 kJ
 CoF2
-	CoF2 = Co+2 + 2F-
-	log_k	-1.5969
-	delta_h	-57.368	kJ
+	CoF2 = Co+2 + 2 F-
+	log_k -1.5969
+	delta_h -57.368 kJ
 CoF3
-	CoF3 = Co+3 + 3F-
-	log_k	-1.4581
-	delta_h	-123.692	kJ
+	CoF3 = Co+3 + 3 F-
+	log_k -1.4581
+	delta_h -123.692 kJ
 CrF3
-	CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+
-	log_k	-11.3367
-	delta_h	-23.3901	kJ
+	CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+
+	log_k -11.3367
+	delta_h -23.3901 kJ
 VF4
-	VF4 + H2O = VO+2 + 4F- + 2H+
-	log_k	14.93
-	delta_h	-199.117	kJ
+	VF4 + H2O = VO+2 + 4 F- + 2 H+
+	log_k 14.93
+	delta_h -199.117 kJ
 UF4
-	UF4 = U+4 + 4F-
-	log_k	-29.5371
-	delta_h	-79.0776	kJ
+	UF4 = U+4 + 4 F-
+	log_k -29.5371
+	delta_h -79.0776 kJ
 UF4:2.5H2O
-	UF4:2.5H2O = U+4 + 4F- + 2.5H2O
-	log_k	-32.7179
-	delta_h	24.325	kJ
+	UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
+	log_k -32.7179
+	delta_h 24.325 kJ
 MgF2
-	MgF2 = Mg+2 + 2F-
-	log_k	-8.13
-	delta_h	-8	kJ
+	MgF2 = Mg+2 + 2 F-
+	log_k -8.13
+	delta_h -8 kJ
 Fluorite
-	CaF2 = Ca+2 + 2F-
-	log_k	-10.5
-	delta_h	8	kJ
+	CaF2 = Ca+2 + 2 F-
+	log_k -10.5
+	delta_h 8 kJ
 SrF2
-	SrF2 = Sr+2 + 2F-
-	log_k	-8.58
-	delta_h	4	kJ
+	SrF2 = Sr+2 + 2 F-
+	log_k -8.58
+	delta_h 4 kJ
 BaF2
-	BaF2 = Ba+2 + 2F-
-	log_k	-5.82
-	delta_h	4	kJ
+	BaF2 = Ba+2 + 2 F-
+	log_k -5.82
+	delta_h 4 kJ
 Cryolite
-	Na3AlF6 = 3Na+ + Al+3 + 6F-
-	log_k	-33.84
-	delta_h	38	kJ
+	Na3AlF6 = 3 Na+ + Al+3 + 6 F-
+	log_k -33.84
+	delta_h 38 kJ
 SbCl3
-	SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+
-	log_k	0.5719
-	delta_h	-35.18	kJ
+	SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+
+	log_k 0.5719
+	delta_h -35.18 kJ
 SnCl2
-	SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl-
-	log_k	-9.2752
-	delta_h	-0	kJ
+	SnCl2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Cl-
+	log_k -9.2752
+	delta_h -0 kJ
 Cotunnite
-	PbCl2 = Pb+2 + 2Cl-
-	log_k	-4.78
-	delta_h	26.166	kJ
+	PbCl2 = Pb+2 + 2 Cl-
+	log_k -4.78
+	delta_h 26.166 kJ
 Matlockite
 	PbClF = Pb+2 + Cl- + F-
-	log_k	-8.9733
-	delta_h	33.19	kJ
+	log_k -8.9733
+	delta_h 33.19 kJ
 Phosgenite
-	PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
-	log_k	-19.81
-	delta_h	-0	kJ
+	PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
+	log_k -19.81
+	delta_h -0 kJ
 Laurionite
 	PbOHCl + H+ = Pb+2 + Cl- + H2O
-	log_k	0.623
-	delta_h	-0	kJ
+	log_k 0.623
+	delta_h -0 kJ
 Pb2(OH)3Cl
-	Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
-	log_k	8.793
-	delta_h	-0	kJ
+	Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
+	log_k 8.793
+	delta_h -0 kJ
 TlCl
 	TlCl = Tl+ + Cl-
-	log_k	-3.74
-	delta_h	41	kJ
+	log_k -3.74
+	delta_h 41 kJ
 ZnCl2
-	ZnCl2 = Zn+2 + 2Cl-
-	log_k	7.05
-	delta_h	-72.5	kJ
+	ZnCl2 = Zn+2 + 2 Cl-
+	log_k 7.05
+	delta_h -72.5 kJ
 Zn2(OH)3Cl
-	Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl-
-	log_k	15.191
-	delta_h	-0	kJ
+	Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
+	log_k 15.191
+	delta_h -0 kJ
 Zn5(OH)8Cl2
-	Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl-
-	log_k	38.5
-	delta_h	-0	kJ
+	Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
+	log_k 38.5
+	delta_h -0 kJ
 CdCl2
-	CdCl2 = Cd+2 + 2Cl-
-	log_k	-0.6588
-	delta_h	-18.58	kJ
+	CdCl2 = Cd+2 + 2 Cl-
+	log_k -0.6588
+	delta_h -18.58 kJ
 CdCl2:1H2O
-	CdCl2:1H2O = Cd+2 + 2Cl- + H2O
-	log_k	-1.6932
-	delta_h	-7.47	kJ
+	CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+	log_k -1.6932
+	delta_h -7.47 kJ
 CdCl2:2.5H2O
-	CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O
-	log_k	-1.913
-	delta_h	7.2849	kJ
+	CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+	log_k -1.913
+	delta_h 7.2849 kJ
 CdOHCl
 	CdOHCl + H+ = Cd+2 + H2O + Cl-
-	log_k	3.5373
-	delta_h	-30.93	kJ
+	log_k 3.5373
+	delta_h -30.93 kJ
 Calomel
-	Hg2Cl2 = Hg2+2 + 2Cl-
-	log_k	-17.91
-	delta_h	92	kJ
+	Hg2Cl2 = Hg2+2 + 2 Cl-
+	log_k -17.91
+	delta_h 92 kJ
 HgCl2
-	HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+
-	log_k	-21.2621
-	delta_h	107.82	kJ
+	HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+
+	log_k -21.2621
+	delta_h 107.82 kJ
 Nantokite
 	CuCl = Cu+ + Cl-
-	log_k	-6.73
-	delta_h	42.662	kJ
+	log_k -6.73
+	delta_h 42.662 kJ
 Melanothallite
-	CuCl2 = Cu+2 + 2Cl-
-	log_k	6.2572
-	delta_h	-63.407	kJ
+	CuCl2 = Cu+2 + 2 Cl-
+	log_k 6.2572
+	delta_h -63.407 kJ
 Atacamite
-	Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl-
-	log_k	7.391
-	delta_h	-93.43	kJ
+	Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
+	log_k 7.391
+	delta_h -93.43 kJ
 Cerargyrite
 	AgCl = Ag+ + Cl-
-	log_k	-9.75
-	delta_h	65.2	kJ
+	log_k -9.75
+	delta_h 65.2 kJ
 CoCl2
-	CoCl2 = Co+2 + 2Cl-
-	log_k	8.2672
-	delta_h	-79.815	kJ
+	CoCl2 = Co+2 + 2 Cl-
+	log_k 8.2672
+	delta_h -79.815 kJ
 CoCl2:6H2O
-	CoCl2:6H2O = Co+2 + 2Cl- + 6H2O
-	log_k	2.5365
-	delta_h	8.0598	kJ
+	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+	log_k 2.5365
+	delta_h 8.0598 kJ
 (Co(NH3)6)Cl3
-	(Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl-
-	log_k	20.0317
-	delta_h	-33.1	kJ
+	(Co(NH3)6)Cl3 + 6 H+ = Co+3 + 6 NH4+ + 3 Cl-
+	log_k 20.0317
+	delta_h -33.1 kJ
 (Co(NH3)5OH2)Cl3
-	(Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O
-	log_k	11.7351
-	delta_h	-25.37	kJ
+	(Co(NH3)5OH2)Cl3 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl- + H2O
+	log_k 11.7351
+	delta_h -25.37 kJ
 (Co(NH3)5Cl)Cl2
-	(Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl-
-	log_k	4.5102
-	delta_h	-10.74	kJ
+	(Co(NH3)5Cl)Cl2 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl-
+	log_k 4.5102
+	delta_h -10.74 kJ
 Fe(OH)2.7Cl.3
-	Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl-
-	log_k	-3.04
-	delta_h	-0	kJ
+	Fe(OH)2.7Cl.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
+	log_k -3.04
+	delta_h -0 kJ
 MnCl2:4H2O
-	MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O
-	log_k	2.7151
-	delta_h	-10.83	kJ
+	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+	log_k 2.7151
+	delta_h -10.83 kJ
 CrCl2
-	CrCl2 = Cr+2 + 2Cl-
-	log_k	14.0917
-	delta_h	-110.76	kJ
+	CrCl2 = Cr+2 + 2 Cl-
+	log_k 14.0917
+	delta_h -110.76 kJ
 CrCl3
-	CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+
-	log_k	15.1145
-	delta_h	-121.08	kJ
+	CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+
+	log_k 15.1145
+	delta_h -121.08 kJ
 VCl2
-	VCl2 = V+3 + 2Cl- + e-
-	log_k	18.8744
-	delta_h	-141.16	kJ
+	VCl2 = V+3 + 2 Cl- + e-
+	log_k 18.8744
+	delta_h -141.16 kJ
 VCl3
-	VCl3 = V+3 + 3Cl-
-	log_k	23.4326
-	delta_h	-179.54	kJ
+	VCl3 = V+3 + 3 Cl-
+	log_k 23.4326
+	delta_h -179.54 kJ
 VOCl
-	VOCl + 2H+ = V+3 + Cl- + H2O
-	log_k	11.1524
-	delta_h	-104.91	kJ
+	VOCl + 2 H+ = V+3 + Cl- + H2O
+	log_k 11.1524
+	delta_h -104.91 kJ
 VOCl2
-	VOCl2 = VO+2 + 2Cl-
-	log_k	12.7603
-	delta_h	-117.76	kJ
+	VOCl2 = VO+2 + 2 Cl-
+	log_k 12.7603
+	delta_h -117.76 kJ
 VO2Cl
 	VO2Cl = VO2+ + Cl-
-	log_k	2.8413
-	delta_h	-40.28	kJ
+	log_k 2.8413
+	delta_h -40.28 kJ
 Halite
 	NaCl = Na+ + Cl-
-	log_k	1.6025
-	delta_h	3.7	kJ
+	log_k 1.6025
+	delta_h 3.7 kJ
 SbBr3
-	SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+
-	log_k	0.9689
-	delta_h	-20.94	kJ
+	SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+
+	log_k 0.9689
+	delta_h -20.94 kJ
 SnBr2
-	SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br-
-	log_k	-9.5443
-	delta_h	-0	kJ
+	SnBr2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Br-
+	log_k -9.5443
+	delta_h -0 kJ
 SnBr4
-	SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br-
-	log_k	-28.8468
-	delta_h	-0	kJ
+	SnBr4 + 6 H2O = Sn(OH)6-2 + 6 H+ + 4 Br-
+	log_k -28.8468
+	delta_h -0 kJ
 PbBr2
-	PbBr2 = Pb+2 + 2Br-
-	log_k	-5.3
-	delta_h	35.499	kJ
+	PbBr2 = Pb+2 + 2 Br-
+	log_k -5.3
+	delta_h 35.499 kJ
 PbBrF
 	PbBrF = Pb+2 + Br- + F-
-	log_k	-8.49
-	delta_h	-0	kJ
+	log_k -8.49
+	delta_h -0 kJ
 TlBr
 	TlBr = Tl+ + Br-
-	log_k	-5.44
-	delta_h	54	kJ
+	log_k -5.44
+	delta_h 54 kJ
 ZnBr2:2H2O
-	ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O
-	log_k	5.2005
-	delta_h	-30.67	kJ
+	ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+	log_k 5.2005
+	delta_h -30.67 kJ
 CdBr2:4H2O
-	CdBr2:4H2O = Cd+2 + 2Br- + 4H2O
-	log_k	-2.425
-	delta_h	30.5001	kJ
+	CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+	log_k -2.425
+	delta_h 30.5001 kJ
 Hg2Br2
-	Hg2Br2 = Hg2+2 + 2Br-
-	log_k	-22.25
-	delta_h	133	kJ
+	Hg2Br2 = Hg2+2 + 2 Br-
+	log_k -22.25
+	delta_h 133 kJ
 HgBr2
-	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-	log_k	-25.2734
-	delta_h	138.492	kJ
+	HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
+	log_k -25.2734
+	delta_h 138.492 kJ
 CuBr
 	CuBr = Cu+ + Br-
-	log_k	-8.3
-	delta_h	54.86	kJ
+	log_k -8.3
+	delta_h 54.86 kJ
 Cu2(OH)3Br
-	Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br-
-	log_k	7.9085
-	delta_h	-93.43	kJ
+	Cu2(OH)3Br + 3 H+ = 2 Cu+2 + 3 H2O + Br-
+	log_k 7.9085
+	delta_h -93.43 kJ
 Bromyrite
 	AgBr = Ag+ + Br-
-	log_k	-12.3
-	delta_h	84.5	kJ
+	log_k -12.3
+	delta_h 84.5 kJ
 (Co(NH3)6)Br3
-	(Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br-
-	log_k	18.3142
-	delta_h	-21.1899	kJ
+	(Co(NH3)6)Br3 + 6 H+ = Co+3 + 6 NH4+ + 3 Br-
+	log_k 18.3142
+	delta_h -21.1899 kJ
 (Co(NH3)5Cl)Br2
-	(Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br-
-	log_k	5.0295
-	delta_h	-6.4	kJ
+	(Co(NH3)5Cl)Br2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 Br-
+	log_k 5.0295
+	delta_h -6.4 kJ
 CrBr3
-	CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+
-	log_k	19.9086
-	delta_h	-141.323	kJ
+	CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+
+	log_k 19.9086
+	delta_h -141.323 kJ
 AsI3
-	AsI3 + 3H2O = H3AsO3 + 3I- + 3H+
-	log_k	4.2307
-	delta_h	3.15	kJ
+	AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
+	log_k 4.2307
+	delta_h 3.15 kJ
 SbI3
-	SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I-
-	log_k	-0.538
-	delta_h	13.5896	kJ
+	SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I-
+	log_k -0.538
+	delta_h 13.5896 kJ
 PbI2
-	PbI2 = Pb+2 + 2I-
-	log_k	-8.1
-	delta_h	62	kJ
+	PbI2 = Pb+2 + 2 I-
+	log_k -8.1
+	delta_h 62 kJ
 TlI
 	TlI = Tl+ + I-
-	log_k	-7.23
-	delta_h	75	kJ
+	log_k -7.23
+	delta_h 75 kJ
 ZnI2
-	ZnI2 = Zn+2 + 2I-
-	log_k	7.3055
-	delta_h	-58.92	kJ
+	ZnI2 = Zn+2 + 2 I-
+	log_k 7.3055
+	delta_h -58.92 kJ
 CdI2
-	CdI2 = Cd+2 + 2I-
-	log_k	-3.5389
-	delta_h	13.82	kJ
+	CdI2 = Cd+2 + 2 I-
+	log_k -3.5389
+	delta_h 13.82 kJ
 Hg2I2
-	Hg2I2 = Hg2+2 + 2I-
-	log_k	-28.34
-	delta_h	163	kJ
+	Hg2I2 = Hg2+2 + 2 I-
+	log_k -28.34
+	delta_h 163 kJ
 Coccinite
-	HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I-
-	log_k	-34.9525
-	delta_h	210.72	kJ
+	HgI2 + 2 H2O = Hg(OH)2 + 2 H+ + 2 I-
+	log_k -34.9525
+	delta_h 210.72 kJ
 HgI2:2NH3
-	HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+
-	log_k	-16.2293
-	delta_h	132.18	kJ
+	HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+
+	log_k -16.2293
+	delta_h 132.18 kJ
 HgI2:6NH3
-	HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+
-	log_k	33.7335
-	delta_h	-90.3599	kJ
+	HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+
+	log_k 33.7335
+	delta_h -90.3599 kJ
 CuI
 	CuI = Cu+ + I-
-	log_k	-12
-	delta_h	82.69	kJ
+	log_k -12
+	delta_h 82.69 kJ
 Iodyrite
 	AgI = Ag+ + I-
-	log_k	-16.08
-	delta_h	110	kJ
+	log_k -16.08
+	delta_h 110 kJ
 (Co(NH3)6)I3
-	(Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I-
-	log_k	16.5831
-	delta_h	-9.6999	kJ
+	(Co(NH3)6)I3 + 6 H+ = Co+3 + 6 NH4+ + 3 I-
+	log_k 16.5831
+	delta_h -9.6999 kJ
 (Co(NH3)5Cl)I2
-	(Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I-
-	log_k	5.5981
-	delta_h	0.66	kJ
+	(Co(NH3)5Cl)I2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 I-
+	log_k 5.5981
+	delta_h 0.66 kJ
 CrI3
-	CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
-	log_k	20.4767
-	delta_h	-134.419	kJ
+	CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+
+	log_k 20.4767
+	delta_h -134.419 kJ
 Cerussite
 	PbCO3 = Pb+2 + CO3-2
-	log_k	-13.13
-	delta_h	24.79	kJ
+	log_k -13.13
+	delta_h 24.79 kJ
 Pb2OCO3
-	Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2
-	log_k	-0.5578
-	delta_h	-40.8199	kJ
+	Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2
+	log_k -0.5578
+	delta_h -40.8199 kJ
 Pb3O2CO3
-	Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
-	log_k	11.02
-	delta_h	-110.583	kJ
+	Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
+	log_k 11.02
+	delta_h -110.583 kJ
 Hydrocerussite
-	Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2
-	log_k	-18.7705
-	delta_h	-0	kJ
+	Pb3(OH)2(CO3)2 + 2 H+ = 3 Pb+2 + 2 H2O + 2 CO3-2
+	log_k -18.7705
+	delta_h -0 kJ
 Pb10(OH)6O(CO3)6
-	Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O
-	log_k	-8.76
-	delta_h	-0	kJ
+	Pb10(OH)6O(CO3)6 + 8 H+ = 10 Pb+2 + 6 CO3-2 + 7 H2O
+	log_k -8.76
+	delta_h -0 kJ
 Tl2CO3
-	Tl2CO3 = 2Tl+ + CO3-2
-	log_k	-3.8367
-	delta_h	35.49	kJ
+	Tl2CO3 = 2 Tl+ + CO3-2
+	log_k -3.8367
+	delta_h 35.49 kJ
 Smithsonite
 	ZnCO3 = Zn+2 + CO3-2
-	log_k	-10
-	delta_h	-15.84	kJ
+	log_k -10
+	delta_h -15.84 kJ
 ZnCO3:1H2O
-	ZnCO3:1H2O = Zn+2 + CO3-2 + H2O
-	log_k	-10.26
-	delta_h	-0	kJ
+	ZnCO3:H2O = Zn+2 + CO3-2 + H2O
+	log_k -10.26
+	delta_h -0 kJ
 Otavite
 	CdCO3 = Cd+2 + CO3-2
-	log_k	-12
-	delta_h	-0.55	kJ
+	log_k -12
+	delta_h -0.55 kJ
 Hg2CO3
 	Hg2CO3 = Hg2+2 + CO3-2
-	log_k	-16.05
-	delta_h	45.14	kJ
+	log_k -16.05
+	delta_h 45.14 kJ
 Hg3O2CO3
-	Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2
-	log_k	-29.682
-	delta_h	-0	kJ
+	Hg3O2CO3 + 4 H2O = 3 Hg(OH)2 + 2 H+ + CO3-2
+	log_k -29.682
+	delta_h -0 kJ
 CuCO3
 	CuCO3 = Cu+2 + CO3-2
-	log_k	-11.5
-	delta_h	-0	kJ
+	log_k -11.5
+	delta_h -0 kJ
 Malachite
-	Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2
-	log_k	-5.306
-	delta_h	76.38	kJ
+	Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2
+	log_k -5.306
+	delta_h 76.38 kJ
 Azurite
-	Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2
-	log_k	-16.906
-	delta_h	-95.22	kJ
+	Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2
+	log_k -16.906
+	delta_h -95.22 kJ
 Ag2CO3
-	Ag2CO3 = 2Ag+ + CO3-2
-	log_k	-11.09
-	delta_h	42.15	kJ
+	Ag2CO3 = 2 Ag+ + CO3-2
+	log_k -11.09
+	delta_h 42.15 kJ
 NiCO3
 	NiCO3 = Ni+2 + CO3-2
-	log_k	-6.87
-	delta_h	-41.589	kJ
+	log_k -6.87
+	delta_h -41.589 kJ
 CoCO3
 	CoCO3 = Co+2 + CO3-2
-	log_k	-9.98
-	delta_h	-12.7612	kJ
+	log_k -9.98
+	delta_h -12.7612 kJ
 Siderite
 	FeCO3 = Fe+2 + CO3-2
-	log_k	-10.24
-	delta_h	-16	kJ
+	log_k -10.24
+	delta_h -16 kJ
 Rhodochrosite
 	MnCO3 = Mn+2 + CO3-2
-	log_k	-10.58
-	delta_h	-1.88	kJ
+	log_k -10.58
+	delta_h -1.88 kJ
 Rutherfordine
 	UO2CO3 = UO2+2 + CO3-2
-	log_k	-14.5
-	delta_h	-3.03	kJ
+	log_k -14.5
+	delta_h -3.03 kJ
 Artinite
-	MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O
-	log_k	9.6
-	delta_h	-120.257	kJ
+	MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
+	log_k 9.6
+	delta_h -120.257 kJ
 Hydromagnesite
-	Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O
-	log_k	-8.766
-	delta_h	-218.447	kJ
+	Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
+	log_k -8.766
+	delta_h -218.447 kJ
 Magnesite
 	MgCO3 = Mg+2 + CO3-2
-	log_k	-7.46
-	delta_h	20	kJ
+	log_k -7.46
+	delta_h 20 kJ
 Nesquehonite
-	MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O
-	log_k	-4.67
-	delta_h	-24.2212	kJ
+	MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
+	log_k -4.67
+	delta_h -24.2212 kJ
 Aragonite
 	CaCO3 = Ca+2 + CO3-2
-	log_k	-8.3
-	delta_h	-12	kJ
+	log_k -8.3
+	delta_h -12 kJ
 Calcite
 	CaCO3 = Ca+2 + CO3-2
-	log_k	-8.48
-	delta_h	-8	kJ
+	log_k -8.48
+	delta_h -8 kJ
 Dolomite(ordered)
-	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
-	log_k	-17.09
-	delta_h	-39.5	kJ
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	log_k -17.09
+	delta_h -39.5 kJ
 Dolomite(disordered)
-	CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2
-	log_k	-16.54
-	delta_h	-46.4	kJ
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	log_k -16.54
+	delta_h -46.4 kJ
 Huntite
-	CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2
-	log_k	-29.968
-	delta_h	-107.78	kJ
+	CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
+	log_k -29.968
+	delta_h -107.78 kJ
 Strontianite
 	SrCO3 = Sr+2 + CO3-2
-	log_k	-9.27
-	delta_h	-0	kJ
+	log_k -9.27
+	delta_h -0 kJ
 Witherite
 	BaCO3 = Ba+2 + CO3-2
-	log_k	-8.57
-	delta_h	4	kJ
+	log_k -8.57
+	delta_h 4 kJ
 Thermonatrite
-	Na2CO3:H2O = 2Na+ + CO3-2 + H2O
-	log_k	0.637
-	delta_h	-10.4799	kJ
+	Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
+	log_k 0.637
+	delta_h -10.4799 kJ
 TlNO3
 	TlNO3 = Tl+ + NO3-
-	log_k	-1.6127
-	delta_h	42.44	kJ
+	log_k -1.6127
+	delta_h 42.44 kJ
 Zn(NO3)2:6H2O
-	Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O
-	log_k	3.3153
-	delta_h	24.5698	kJ
+	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+	log_k 3.3153
+	delta_h 24.5698 kJ
 Cu2(OH)3NO3
-	Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3-
-	log_k	9.251
-	delta_h	-72.5924	kJ
+	Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
+	log_k 9.251
+	delta_h -72.5924 kJ
 (Co(NH3)6)(NO3)3
-	(Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3-
-	log_k	17.9343
-	delta_h	1.59	kJ
+	(Co(NH3)6)(NO3)3 + 6 H+ = Co+3 + 6 NH4+ + 3 NO3-
+	log_k 17.9343
+	delta_h 1.59 kJ
 (Co(NH3)5Cl)(NO3)2
-	(Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3-
-	log_k	6.2887
-	delta_h	6.4199	kJ
+	(Co(NH3)5Cl)(NO3)2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 NO3-
+	log_k 6.2887
+	delta_h 6.4199 kJ
 UO2(NO3)2
-	UO2(NO3)2 = UO2+2 + 2NO3-
-	log_k	12.1476
-	delta_h	-83.3999	kJ
+	UO2(NO3)2 = UO2+2 + 2 NO3-
+	log_k 12.1476
+	delta_h -83.3999 kJ
 UO2(NO3)2:2H2O
-	UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O
-	log_k	4.851
-	delta_h	-25.355	kJ
+	UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O
+	log_k 4.851
+	delta_h -25.355 kJ
 UO2(NO3)2:3H2O
-	UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O
-	log_k	3.39
-	delta_h	-9.1599	kJ
+	UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O
+	log_k 3.39
+	delta_h -9.1599 kJ
 UO2(NO3)2:6H2O
-	UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O
-	log_k	2.0464
-	delta_h	20.8201	kJ
+	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
+	log_k 2.0464
+	delta_h 20.8201 kJ
 Pb(BO2)2
-	Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3
-	log_k	6.5192
-	delta_h	-15.6119	kJ
+	Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
+	log_k 6.5192
+	delta_h -15.6119 kJ
 Zn(BO2)2
-	Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3
-	log_k	8.29
-	delta_h	-0	kJ
+	Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
+	log_k 8.29
+	delta_h -0 kJ
 Cd(BO2)2
-	Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3
-	log_k	9.84
-	delta_h	-0	kJ
+	Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
+	log_k 9.84
+	delta_h -0 kJ
 Co(BO2)2
-	Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3
-	log_k	27.0703
-	delta_h	-0	kJ
+	Co(BO2)2 + 2 H2O + 2 H+ = Co+2 + 2 H3BO3
+	log_k 27.0703
+	delta_h -0 kJ
 SnSO4
-	SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2
-	log_k	-56.9747
-	delta_h	-0	kJ
+	SnSO4 + 2 H2O = Sn(OH)2 + 2 H+ + SO4-2
+	log_k -56.9747
+	delta_h -0 kJ
 Sn(SO4)2
-	Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2
-	log_k	-15.2123
-	delta_h	-0	kJ
+	Sn(SO4)2 + 6 H2O = Sn(OH)6-2 + 6 H+ + 2 SO4-2
+	log_k -15.2123
+	delta_h -0 kJ
 Larnakite
-	PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O
-	log_k	-0.4344
-	delta_h	-21.83	kJ
+	PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
+	log_k -0.4344
+	delta_h -21.83 kJ
 Pb3O2SO4
-	Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O
-	log_k	10.6864
-	delta_h	-79.14	kJ
+	Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
+	log_k 10.6864
+	delta_h -79.14 kJ
 Pb4O3SO4
-	Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O
-	log_k	21.8772
-	delta_h	-136.45	kJ
+	Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
+	log_k 21.8772
+	delta_h -136.45 kJ
 Anglesite
 	PbSO4 = Pb+2 + SO4-2
-	log_k	-7.79
-	delta_h	12	kJ
+	log_k -7.79
+	delta_h 12 kJ
 Pb4(OH)6SO4
-	Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O
-	log_k	21.1
-	delta_h	-0	kJ
+	Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
+	log_k 21.1
+	delta_h -0 kJ
 AlOHSO4
 	AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
-	log_k	-3.23
-	delta_h	-0	kJ
+	log_k -3.23
+	delta_h -0 kJ
 Al4(OH)10SO4
-	Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O
-	log_k	22.7
-	delta_h	-0	kJ
+	Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
+	log_k 22.7
+	delta_h -0 kJ
 Tl2SO4
-	Tl2SO4 = 2Tl+ + SO4-2
-	log_k	-3.7868
-	delta_h	33.1799	kJ
+	Tl2SO4 = 2 Tl+ + SO4-2
+	log_k -3.7868
+	delta_h 33.1799 kJ
 Zn2(OH)2SO4
-	Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2
-	log_k	7.5
-	delta_h	-0	kJ
+	Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
+	log_k 7.5
+	delta_h -0 kJ
 Zn4(OH)6SO4
-	Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2
-	log_k	28.4
-	delta_h	-0	kJ
+	Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
+	log_k 28.4
+	delta_h -0 kJ
 Zn3O(SO4)2
-	Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O
-	log_k	18.9135
-	delta_h	-258.08	kJ
+	Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
+	log_k 18.9135
+	delta_h -258.08 kJ
 Zincosite
 	ZnSO4 = Zn+2 + SO4-2
-	log_k	3.9297
-	delta_h	-82.586	kJ
+	log_k 3.9297
+	delta_h -82.586 kJ
 ZnSO4:1H2O
-	ZnSO4:1H2O = Zn+2 + SO4-2 + H2O
-	log_k	-0.638
-	delta_h	-44.0699	kJ
+	ZnSO4:H2O = Zn+2 + SO4-2 + H2O
+	log_k -0.638
+	delta_h -44.0699 kJ
 Bianchite
-	ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O
-	log_k	-1.765
-	delta_h	-0.6694	kJ
+	ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
+	log_k -1.765
+	delta_h -0.6694 kJ
 Goslarite
-	ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O
-	log_k	-2.0112
-	delta_h	14.21	kJ
+	ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
+	log_k -2.0112
+	delta_h 14.21 kJ
 Cd3(OH)4SO4
-	Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2
-	log_k	22.56
-	delta_h	-0	kJ
+	Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
+	log_k 22.56
+	delta_h -0 kJ
 Cd3(OH)2(SO4)2
-	Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2
-	log_k	6.71
-	delta_h	-0	kJ
+	Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
+	log_k 6.71
+	delta_h -0 kJ
 Cd4(OH)6SO4
-	Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2
-	log_k	28.4
-	delta_h	-0	kJ
+	Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
+	log_k 28.4
+	delta_h -0 kJ
 CdSO4
 	CdSO4 = Cd+2 + SO4-2
-	log_k	-0.1722
-	delta_h	-51.98	kJ
+	log_k -0.1722
+	delta_h -51.98 kJ
 CdSO4:1H2O
-	CdSO4:1H2O = Cd+2 + SO4-2 + H2O
-	log_k	-1.7261
-	delta_h	-31.5399	kJ
+	CdSO4:H2O = Cd+2 + SO4-2 + H2O
+	log_k -1.7261
+	delta_h -31.5399 kJ
 CdSO4:2.67H2O
-	CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O
-	log_k	-1.873
-	delta_h	-17.9912	kJ
+	CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+	log_k -1.873
+	delta_h -17.9912 kJ
 Hg2SO4
 	Hg2SO4 = Hg2+2 + SO4-2
-	log_k	-6.13
-	delta_h	5.4	kJ
+	log_k -6.13
+	delta_h 5.4 kJ
 HgSO4
-	HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+
-	log_k	-9.4189
-	delta_h	14.6858	kJ
+	HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+
+	log_k -9.4189
+	delta_h 14.6858 kJ
 Cu2SO4
-	Cu2SO4 = 2Cu+ + SO4-2
-	log_k	-1.95
-	delta_h	-19.079	kJ
+	Cu2SO4 = 2 Cu+ + SO4-2
+	log_k -1.95
+	delta_h -19.079 kJ
 Antlerite
-	Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2
-	log_k	8.788
-	delta_h	-0	kJ
+	Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
+	log_k 8.788
+	delta_h -0 kJ
 Brochantite
-	Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2
-	log_k	15.222
-	delta_h	-202.86	kJ
+	Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
+	log_k 15.222
+	delta_h -202.86 kJ
 Langite
-	Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2
-	log_k	17.4886
-	delta_h	-165.55	kJ
+	Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
+	log_k 17.4886
+	delta_h -165.55 kJ
 CuOCuSO4
-	CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2
-	log_k	10.3032
-	delta_h	-137.777	kJ
+	CuOCuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
+	log_k 10.3032
+	delta_h -137.777 kJ
 CuSO4
 	CuSO4 = Cu+2 + SO4-2
-	log_k	2.9395
-	delta_h	-73.04	kJ
+	log_k 2.9395
+	delta_h -73.04 kJ
 Chalcanthite
-	CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O
-	log_k	-2.64
-	delta_h	6.025	kJ
+	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+	log_k -2.64
+	delta_h 6.025 kJ
 Ag2SO4
-	Ag2SO4 = 2Ag+ + SO4-2
-	log_k	-4.82
-	delta_h	17	kJ
+	Ag2SO4 = 2 Ag+ + SO4-2
+	log_k -4.82
+	delta_h 17 kJ
 Ni4(OH)6SO4
-	Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O
-	log_k	32
-	delta_h	-0	kJ
+	Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
+	log_k 32
+	delta_h -0 kJ
 Retgersite
-	NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O
-	log_k	-2.04
-	delta_h	4.6024	kJ
+	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+	log_k -2.04
+	delta_h 4.6024 kJ
 Morenosite
-	NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O
-	log_k	-2.1449
-	delta_h	12.1802	kJ
+	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+	log_k -2.1449
+	delta_h 12.1802 kJ
 CoSO4
 	CoSO4 = Co+2 + SO4-2
-	log_k	2.8024
-	delta_h	-79.277	kJ
+	log_k 2.8024
+	delta_h -79.277 kJ
 CoSO4:6H2O
-	CoSO4:6H2O = Co+2 + SO4-2 + 6H2O
-	log_k	-2.4726
-	delta_h	1.0801	kJ
+	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+	log_k -2.4726
+	delta_h 1.0801 kJ
 Melanterite
-	FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O
-	log_k	-2.209
-	delta_h	20.5	kJ
+	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+	log_k -2.209
+	delta_h 20.5 kJ
 Fe2(SO4)3
-	Fe2(SO4)3 = 2Fe+3 + 3SO4-2
-	log_k	-3.7343
-	delta_h	-242.028	kJ
+	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
+	log_k -3.7343
+	delta_h -242.028 kJ
 H-Jarosite
-	(H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O
-	log_k	-12.1
-	delta_h	-230.748	kJ
+	(H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
+	log_k -12.1
+	delta_h -230.748 kJ
 Na-Jarosite
-	NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O
-	log_k	-11.2
-	delta_h	-151.377	kJ
+	NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+	log_k -11.2
+	delta_h -151.377 kJ
 K-Jarosite
-	KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O
-	log_k	-14.8
-	delta_h	-130.875	kJ
+	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+	log_k -14.8
+	delta_h -130.875 kJ
 MnSO4
 	MnSO4 = Mn+2 + SO4-2
-	log_k	2.5831
-	delta_h	-64.8401	kJ
+	log_k 2.5831
+	delta_h -64.8401 kJ
 Mn2(SO4)3
-	Mn2(SO4)3 = 2Mn+3 + 3SO4-2
-	log_k	-5.711
-	delta_h	-163.427	kJ
+	Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
+	log_k -5.711
+	delta_h -163.427 kJ
 VOSO4
 	VOSO4 = VO+2 + SO4-2
-	log_k	3.6097
-	delta_h	-86.7401	kJ
+	log_k 3.6097
+	delta_h -86.7401 kJ
 Epsomite
-	MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O
-	log_k	-2.1265
-	delta_h	11.5601	kJ
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+	log_k -2.1265
+	delta_h 11.5601 kJ
 Anhydrite
 	CaSO4 = Ca+2 + SO4-2
-	log_k	-4.36
-	delta_h	-7.2	kJ
+	log_k -4.36
+	delta_h -7.2 kJ
 Gypsum
-	CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O
-	log_k	-4.61
-	delta_h	1	kJ
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	log_k -4.61
+	delta_h 1 kJ
 Celestite
 	SrSO4 = Sr+2 + SO4-2
-	log_k	-6.62
-	delta_h	2	kJ
+	log_k -6.62
+	delta_h 2 kJ
 Barite
 	BaSO4 = Ba+2 + SO4-2
-	log_k	-9.98
-	delta_h	23	kJ
+	log_k -9.98
+	delta_h 23 kJ
 Mirabilite
-	Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O
-	log_k	-1.114
-	delta_h	79.4416	kJ
+	Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+	log_k -1.114
+	delta_h 79.4416 kJ
 Thenardite
-	Na2SO4 = 2Na+ + SO4-2
-	log_k	0.3217
-	delta_h	-9.121	kJ
+	Na2SO4 = 2 Na+ + SO4-2
+	log_k 0.3217
+	delta_h -9.121 kJ
 K-Alum
-	KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O
-	log_k	-5.17
-	delta_h	30.2085	kJ
+	KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+	log_k -5.17
+	delta_h 30.2085 kJ
 Alunite
-	KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
-	log_k	-1.4
-	delta_h	-210	kJ
+	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+	log_k -1.4
+	delta_h -210 kJ
 (NH4)2CrO4
-	(NH4)2CrO4 = CrO4-2 + 2NH4+
-	log_k	0.4046
-	delta_h	9.163	kJ
+	(NH4)2CrO4 = CrO4-2 + 2 NH4+
+	log_k 0.4046
+	delta_h 9.163 kJ
 PbCrO4
 	PbCrO4 = Pb+2 + CrO4-2
-	log_k	-12.6
-	delta_h	44.18	kJ
+	log_k -12.6
+	delta_h 44.18 kJ
 Tl2CrO4
-	Tl2CrO4 = 2Tl+ + CrO4-2
-	log_k	-12.01
-	delta_h	74.27	kJ
+	Tl2CrO4 = 2 Tl+ + CrO4-2
+	log_k -12.01
+	delta_h 74.27 kJ
 Hg2CrO4
 	Hg2CrO4 = Hg2+2 + CrO4-2
-	log_k	-8.7
-	delta_h	-0	kJ
+	log_k -8.7
+	delta_h -0 kJ
 CuCrO4
 	CuCrO4 = Cu+2 + CrO4-2
-	log_k	-5.44
-	delta_h	-0	kJ
+	log_k -5.44
+	delta_h -0 kJ
 Ag2CrO4
-	Ag2CrO4 = 2Ag+ + CrO4-2
-	log_k	-11.59
-	delta_h	62	kJ
+	Ag2CrO4 = 2 Ag+ + CrO4-2
+	log_k -11.59
+	delta_h 62 kJ
 MgCrO4
 	MgCrO4 = CrO4-2 + Mg+2
-	log_k	5.3801
-	delta_h	-88.9518	kJ
+	log_k 5.3801
+	delta_h -88.9518 kJ
 CaCrO4
 	CaCrO4 = Ca+2 + CrO4-2
-	log_k	-2.2657
-	delta_h	-26.945	kJ
+	log_k -2.2657
+	delta_h -26.945 kJ
 SrCrO4
 	SrCrO4 = Sr+2 + CrO4-2
-	log_k	-4.65
-	delta_h	-10.1253	kJ
+	log_k -4.65
+	delta_h -10.1253 kJ
 BaCrO4
 	BaCrO4 = Ba+2 + CrO4-2
-	log_k	-9.67
-	delta_h	33	kJ
+	log_k -9.67
+	delta_h 33 kJ
 Li2CrO4
-	Li2CrO4 = CrO4-2 + 2Li+
-	log_k	4.8568
-	delta_h	-45.2792	kJ
+	Li2CrO4 = CrO4-2 + 2 Li+
+	log_k 4.8568
+	delta_h -45.2792 kJ
 Na2CrO4
-	Na2CrO4 = CrO4-2 + 2Na+
-	log_k	2.9302
-	delta_h	-19.6301	kJ
+	Na2CrO4 = CrO4-2 + 2 Na+
+	log_k 2.9302
+	delta_h -19.6301 kJ
 Na2Cr2O7
-	Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+
-	log_k	-9.8953
-	delta_h	22.1961	kJ
+	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+
+	log_k -9.8953
+	delta_h 22.1961 kJ
 K2CrO4
-	K2CrO4 = CrO4-2 + 2K+
-	log_k	-0.5134
-	delta_h	18.2699	kJ
+	K2CrO4 = CrO4-2 + 2 K+
+	log_k -0.5134
+	delta_h 18.2699 kJ
 K2Cr2O7
-	K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+
-	log_k	-17.2424
-	delta_h	80.7499	kJ
+	K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+
+	log_k -17.2424
+	delta_h 80.7499 kJ
 Hg2SeO3
 	Hg2SeO3 + H+ = Hg2+2 + HSeO3-
-	log_k	-4.657
-	delta_h	-0	kJ
+	log_k -4.657
+	delta_h -0 kJ
 HgSeO3
-	HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3-
-	log_k	-12.43
-	delta_h	-0	kJ
+	HgSeO3 + 2 H2O = Hg(OH)2 + H+ + HSeO3-
+	log_k -12.43
+	delta_h -0 kJ
 Ag2SeO3
-	Ag2SeO3 + H+ = 2Ag+ + HSeO3-
-	log_k	-7.15
-	delta_h	39.68	kJ
+	Ag2SeO3 + H+ = 2 Ag+ + HSeO3-
+	log_k -7.15
+	delta_h 39.68 kJ
 CuSeO3:2H2O
-	CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O
-	log_k	0.5116
-	delta_h	-36.861	kJ
+	CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2 H2O
+	log_k 0.5116
+	delta_h -36.861 kJ
 NiSeO3:2H2O
-	NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O
-	log_k	2.8147
-	delta_h	-31.0034	kJ
+	NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O
+	log_k 2.8147
+	delta_h -31.0034 kJ
 CoSeO3
 	CoSeO3 + H+ = Co+2 + HSeO3-
-	log_k	1.32
-	delta_h	-0	kJ
+	log_k 1.32
+	delta_h -0 kJ
 Fe2(SeO3)3:2H2O
-	Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O
-	log_k	-20.6262
-	delta_h	-0	kJ
+	Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O
+	log_k -20.6262
+	delta_h -0 kJ
 Fe2(OH)4SeO3
-	Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O
-	log_k	1.5539
-	delta_h	-0	kJ
+	Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O
+	log_k 1.5539
+	delta_h -0 kJ
 MnSeO3
 	MnSeO3 + H+ = Mn+2 + HSeO3-
-	log_k	1.13
-	delta_h	-0	kJ
+	log_k 1.13
+	delta_h -0 kJ
 MnSeO3:2H2O
-	MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O
-	log_k	0.9822
-	delta_h	8.4935	kJ
+	MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O
+	log_k 0.9822
+	delta_h 8.4935 kJ
 MgSeO3:6H2O
-	MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O
-	log_k	3.0554
-	delta_h	5.23	kJ
+	MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6 H2O
+	log_k 3.0554
+	delta_h 5.23 kJ
 CaSeO3:2H2O
-	CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O
-	log_k	2.8139
-	delta_h	-19.4556	kJ
+	CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O
+	log_k 2.8139
+	delta_h -19.4556 kJ
 SrSeO3
 	SrSeO3 + H+ = Sr+2 + HSeO3-
-	log_k	2.3
-	delta_h	-0	kJ
+	log_k 2.3
+	delta_h -0 kJ
 BaSeO3
 	BaSeO3 + H+ = Ba+2 + HSeO3-
-	log_k	1.83
-	delta_h	11.98	kJ
+	log_k 1.83
+	delta_h 11.98 kJ
 Na2SeO3:5H2O
-	Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O
-	log_k	10.3
-	delta_h	-0	kJ
+	Na2SeO3:5H2O + H+ = 2 Na+ + HSeO3- + 5 H2O
+	log_k 10.3
+	delta_h -0 kJ
 PbSeO4
 	PbSeO4 = Pb+2 + SeO4-2
-	log_k	-6.84
-	delta_h	15	kJ
+	log_k -6.84
+	delta_h 15 kJ
 Tl2SeO4
-	Tl2SeO4 = 2Tl+ + SeO4-2
-	log_k	-4.1
-	delta_h	43	kJ
+	Tl2SeO4 = 2 Tl+ + SeO4-2
+	log_k -4.1
+	delta_h 43 kJ
 ZnSeO4:6H2O
-	ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O
-	log_k	-1.52
-	delta_h	-0	kJ
+	ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6 H2O
+	log_k -1.52
+	delta_h -0 kJ
 CdSeO4:2H2O
-	CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O
-	log_k	-1.85
-	delta_h	-0	kJ
+	CdSeO4:2H2O = Cd+2 + SeO4-2 + 2 H2O
+	log_k -1.85
+	delta_h -0 kJ
 Ag2SeO4
-	Ag2SeO4 = 2Ag+ + SeO4-2
-	log_k	-8.91
-	delta_h	-43.5	kJ
+	Ag2SeO4 = 2 Ag+ + SeO4-2
+	log_k -8.91
+	delta_h -43.5 kJ
 CuSeO4:5H2O
-	CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O
-	log_k	-2.44
-	delta_h	-0	kJ
+	CuSeO4:5H2O = Cu+2 + SeO4-2 + 5 H2O
+	log_k -2.44
+	delta_h -0 kJ
 NiSeO4:6H2O
-	NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O
-	log_k	-1.52
-	delta_h	-0	kJ
+	NiSeO4:6H2O = Ni+2 + SeO4-2 + 6 H2O
+	log_k -1.52
+	delta_h -0 kJ
 CoSeO4:6H2O
-	CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O
-	log_k	-1.53
-	delta_h	-0	kJ
+	CoSeO4:6H2O = Co+2 + SeO4-2 + 6 H2O
+	log_k -1.53
+	delta_h -0 kJ
 MnSeO4:5H2O
-	MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O
-	log_k	-2.05
-	delta_h	-0	kJ
+	MnSeO4:5H2O = Mn+2 + SeO4-2 + 5 H2O
+	log_k -2.05
+	delta_h -0 kJ
 UO2SeO4:4H2O
-	UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O
-	log_k	-2.25
-	delta_h	-0	kJ
+	UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4 H2O
+	log_k -2.25
+	delta_h -0 kJ
 MgSeO4:6H2O
-	MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O
-	log_k	-1.2
-	delta_h	-0	kJ
+	MgSeO4:6H2O = Mg+2 + SeO4-2 + 6 H2O
+	log_k -1.2
+	delta_h -0 kJ
 CaSeO4:2H2O
-	CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O
-	log_k	-3.02
-	delta_h	-8.3	kJ
+	CaSeO4:2H2O = Ca+2 + SeO4-2 + 2 H2O
+	log_k -3.02
+	delta_h -8.3 kJ
 SrSeO4
 	SrSeO4 = Sr+2 + SeO4-2
-	log_k	-4.4
-	delta_h	0.4	kJ
+	log_k -4.4
+	delta_h 0.4 kJ
 BaSeO4
 	BaSeO4 = Ba+2 + SeO4-2
-	log_k	-7.46
-	delta_h	22	kJ
+	log_k -7.46
+	delta_h 22 kJ
 BeSeO4:4H2O
-	BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O
-	log_k	-2.94
-	delta_h	-0	kJ
+	BeSeO4:4H2O = Be+2 + SeO4-2 + 4 H2O
+	log_k -2.94
+	delta_h -0 kJ
 Na2SeO4
-	Na2SeO4 = 2Na+ + SeO4-2
-	log_k	1.28
-	delta_h	-0	kJ
+	Na2SeO4 = 2 Na+ + SeO4-2
+	log_k 1.28
+	delta_h -0 kJ
 K2SeO4
-	K2SeO4 = 2K+ + SeO4-2
-	log_k	-0.73
-	delta_h	-0	kJ
+	K2SeO4 = 2 K+ + SeO4-2
+	log_k -0.73
+	delta_h -0 kJ
 (NH4)2SeO4
-	(NH4)2SeO4 = 2NH4+ + SeO4-2
-	log_k	0.45
-	delta_h	-0	kJ
+	(NH4)2SeO4 = 2 NH4+ + SeO4-2
+	log_k 0.45
+	delta_h -0 kJ
 H2MoO4
-	H2MoO4 = MoO4-2 + 2H+
-	log_k	-12.8765
-	delta_h	49	kJ
+	H2MoO4 = MoO4-2 + 2 H+
+	log_k -12.8765
+	delta_h 49 kJ
 PbMoO4
 	PbMoO4 = Pb+2 + MoO4-2
-	log_k	-15.62
-	delta_h	53.93	kJ
+	log_k -15.62
+	delta_h 53.93 kJ
 Al2(MoO4)3
-	Al2(MoO4)3 = 3MoO4-2 + 2Al+3
-	log_k	2.3675
-	delta_h	-260.8	kJ
+	Al2(MoO4)3 = 3 MoO4-2 + 2 Al+3
+	log_k 2.3675
+	delta_h -260.8 kJ
 Tl2MoO4
-	Tl2MoO4 = MoO4-2 + 2Tl+
-	log_k	-7.9887
-	delta_h	-0	kJ
+	Tl2MoO4 = MoO4-2 + 2 Tl+
+	log_k -7.9887
+	delta_h -0 kJ
 ZnMoO4
 	ZnMoO4 = MoO4-2 + Zn+2
-	log_k	-10.1254
-	delta_h	-10.6901	kJ
+	log_k -10.1254
+	delta_h -10.6901 kJ
 CdMoO4
 	CdMoO4 = MoO4-2 + Cd+2
-	log_k	-14.1497
-	delta_h	19.48	kJ
+	log_k -14.1497
+	delta_h 19.48 kJ
 CuMoO4
 	CuMoO4 = MoO4-2 + Cu+2
-	log_k	-13.0762
-	delta_h	12.2	kJ
+	log_k -13.0762
+	delta_h 12.2 kJ
 Ag2MoO4
-	Ag2MoO4 = 2Ag+ + MoO4-2
-	log_k	-11.55
-	delta_h	52.7	kJ
+	Ag2MoO4 = 2 Ag+ + MoO4-2
+	log_k -11.55
+	delta_h 52.7 kJ
 NiMoO4
 	NiMoO4 = MoO4-2 + Ni+2
-	log_k	-11.1421
-	delta_h	1.3	kJ
+	log_k -11.1421
+	delta_h 1.3 kJ
 CoMoO4
 	CoMoO4 = MoO4-2 + Co+2
-	log_k	-7.7609
-	delta_h	-23.3999	kJ
+	log_k -7.7609
+	delta_h -23.3999 kJ
 FeMoO4
 	FeMoO4 = MoO4-2 + Fe+2
-	log_k	-10.091
-	delta_h	-11.1	kJ
+	log_k -10.091
+	delta_h -11.1 kJ
 BeMoO4
 	BeMoO4 = MoO4-2 + Be+2
-	log_k	-1.7817
-	delta_h	-56.4	kJ
+	log_k -1.7817
+	delta_h -56.4 kJ
 MgMoO4
 	MgMoO4 = Mg+2 + MoO4-2
-	log_k	-1.85
-	delta_h	-0	kJ
+	log_k -1.85
+	delta_h -0 kJ
 CaMoO4
 	CaMoO4 = Ca+2 + MoO4-2
-	log_k	-7.95
-	delta_h	-2	kJ
+	log_k -7.95
+	delta_h -2 kJ
 BaMoO4
 	BaMoO4 = MoO4-2 + Ba+2
-	log_k	-6.9603
-	delta_h	10.96	kJ
+	log_k -6.9603
+	delta_h 10.96 kJ
 Li2MoO4
-	Li2MoO4 = MoO4-2 + 2Li+
-	log_k	2.4416
-	delta_h	-33.9399	kJ
+	Li2MoO4 = MoO4-2 + 2 Li+
+	log_k 2.4416
+	delta_h -33.9399 kJ
 Na2MoO4
-	Na2MoO4 = MoO4-2 + 2Na+
-	log_k	1.4901
-	delta_h	-9.98	kJ
+	Na2MoO4 = MoO4-2 + 2 Na+
+	log_k 1.4901
+	delta_h -9.98 kJ
 Na2MoO4:2H2O
-	Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O
-	log_k	1.224
-	delta_h	-0	kJ
+	Na2MoO4:2H2O = MoO4-2 + 2 Na+ + 2 H2O
+	log_k 1.224
+	delta_h -0 kJ
 Na2Mo2O7
-	Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+
-	log_k	-16.5966
-	delta_h	56.2502	kJ
+	Na2Mo2O7 + H2O = 2 MoO4-2 + 2 Na+ + 2 H+
+	log_k -16.5966
+	delta_h 56.2502 kJ
 K2MoO4
-	K2MoO4 = MoO4-2 + 2K+
-	log_k	3.2619
-	delta_h	-3.38	kJ
+	K2MoO4 = MoO4-2 + 2 K+
+	log_k 3.2619
+	delta_h -3.38 kJ
 PbHPO4
 	PbHPO4 = Pb+2 + H+ + PO4-3
-	log_k	-23.805
-	delta_h	-0	kJ
+	log_k -23.805
+	delta_h -0 kJ
 Pb3(PO4)2
-	Pb3(PO4)2 = 3Pb+2 + 2PO4-3
-	log_k	-43.53
-	delta_h	-0	kJ
+	Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3
+	log_k -43.53
+	delta_h -0 kJ
 Pyromorphite
-	Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl-
-	log_k	-84.43
-	delta_h	-0	kJ
+	Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
+	log_k -84.43
+	delta_h -0 kJ
 Hydroxylpyromorphite
-	Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O
-	log_k	-62.79
-	delta_h	-0	kJ
+	Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
+	log_k -62.79
+	delta_h -0 kJ
 Plumbgummite
-	PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O
-	log_k	-32.79
-	delta_h	-0	kJ
+	PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
+	log_k -32.79
+	delta_h -0 kJ
 Hinsdalite
-	PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O
-	log_k	-2.5
-	delta_h	-0	kJ
+	PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
+	log_k -2.5
+	delta_h -0 kJ
 Tsumebite
-	Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O
-	log_k	-9.79
-	delta_h	-0	kJ
+	Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
+	log_k -9.79
+	delta_h -0 kJ
 Zn3(PO4)2:4H2O
-	Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O
-	log_k	-35.42
-	delta_h	-0	kJ
+	Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
+	log_k -35.42
+	delta_h -0 kJ
 Cd3(PO4)2
-	Cd3(PO4)2 = 3Cd+2 + 2PO4-3
-	log_k	-32.6
-	delta_h	-0	kJ
+	Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
+	log_k -32.6
+	delta_h -0 kJ
 Hg2HPO4
 	Hg2HPO4 = Hg2+2 + H+ + PO4-3
-	log_k	-24.775
-	delta_h	-0	kJ
+	log_k -24.775
+	delta_h -0 kJ
 Cu3(PO4)2
-	Cu3(PO4)2 = 3Cu+2 + 2PO4-3
-	log_k	-36.85
-	delta_h	-0	kJ
+	Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
+	log_k -36.85
+	delta_h -0 kJ
 Cu3(PO4)2:3H2O
-	Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O
-	log_k	-35.12
-	delta_h	-0	kJ
+	Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
+	log_k -35.12
+	delta_h -0 kJ
 Ag3PO4
-	Ag3PO4 = 3Ag+ + PO4-3
-	log_k	-17.59
-	delta_h	-0	kJ
+	Ag3PO4 = 3 Ag+ + PO4-3
+	log_k -17.59
+	delta_h -0 kJ
 Ni3(PO4)2
-	Ni3(PO4)2 = 3Ni+2 + 2PO4-3
-	log_k	-31.3
-	delta_h	-0	kJ
+	Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
+	log_k -31.3
+	delta_h -0 kJ
 CoHPO4
 	CoHPO4 = Co+2 + PO4-3 + H+
-	log_k	-19.0607
-	delta_h	-0	kJ
+	log_k -19.0607
+	delta_h -0 kJ
 Co3(PO4)2
-	Co3(PO4)2 = 3Co+2 + 2PO4-3
-	log_k	-34.6877
-	delta_h	-0	kJ
+	Co3(PO4)2 = 3 Co+2 + 2 PO4-3
+	log_k -34.6877
+	delta_h -0 kJ
 Vivianite
-	Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O
-	log_k	-36
-	delta_h	-0	kJ
+	Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+	log_k -36
+	delta_h -0 kJ
 Strengite
-	FePO4:2H2O = Fe+3 + PO4-3 + 2H2O
-	log_k	-26.4
-	delta_h	-9.3601	kJ
+	FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
+	log_k -26.4
+	delta_h -9.3601 kJ
 Mn3(PO4)2
-	Mn3(PO4)2 = 3Mn+2 + 2PO4-3
-	log_k	-23.827
-	delta_h	8.8701	kJ
+	Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
+	log_k -23.827
+	delta_h 8.8701 kJ
 MnHPO4
 	MnHPO4 = Mn+2 + PO4-3 + H+
-	log_k	-25.4
-	delta_h	-0	kJ
+	log_k -25.4
+	delta_h -0 kJ
 (VO)3(PO4)2
-	(VO)3(PO4)2 = 3VO+2 + 2PO4-3
-	log_k	-25.1
-	delta_h	-0	kJ
+	(VO)3(PO4)2 = 3 VO+2 + 2 PO4-3
+	log_k -25.1
+	delta_h -0 kJ
 Mg3(PO4)2
-	Mg3(PO4)2 = 3Mg+2 + 2PO4-3
-	log_k	-23.28
-	delta_h	-0	kJ
+	Mg3(PO4)2 = 3 Mg+2 + 2 PO4-3
+	log_k -23.28
+	delta_h -0 kJ
 MgHPO4:3H2O
-	MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O
-	log_k	-18.175
-	delta_h	-0	kJ
+	MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3 H2O
+	log_k -18.175
+	delta_h -0 kJ
 FCO3Apatite
-	Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-	log_k	-114.4
-	delta_h	164.808	kJ
+	Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
+	log_k -114.4
+	delta_h 164.808 kJ
 Hydroxylapatite
-	Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O
-	log_k	-44.333
-	delta_h	-0	kJ
+	Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O
+	log_k -44.333
+	delta_h -0 kJ
 CaHPO4:2H2O
-	CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O
-	log_k	-18.995
-	delta_h	23	kJ
+	CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2 H2O
+	log_k -18.995
+	delta_h 23 kJ
 CaHPO4
 	CaHPO4 = Ca+2 + H+ + PO4-3
-	log_k	-19.275
-	delta_h	31	kJ
+	log_k -19.275
+	delta_h 31 kJ
 Ca3(PO4)2(beta)
-	Ca3(PO4)2 = 3Ca+2 + 2PO4-3
-	log_k	-28.92
-	delta_h	54	kJ
+	Ca3(PO4)2 = 3 Ca+2 + 2 PO4-3
+	log_k -28.92
+	delta_h 54 kJ
 Ca4H(PO4)3:3H2O
-	Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O
-	log_k	-47.08
-	delta_h	-0	kJ
+	Ca4H(PO4)3:3H2O = 4 Ca+2 + H+ + 3 PO4-3 + 3 H2O
+	log_k -47.08
+	delta_h -0 kJ
 SrHPO4
 	SrHPO4 = Sr+2 + H+ + PO4-3
-	log_k	-19.295
-	delta_h	-0	kJ
+	log_k -19.295
+	delta_h -0 kJ
 BaHPO4
 	BaHPO4 = Ba+2 + H+ + PO4-3
-	log_k	-19.775
-	delta_h	-0	kJ
+	log_k -19.775
+	delta_h -0 kJ
 U(HPO4)2:4H2O
-	U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O
-	log_k	-51.584
-	delta_h	16.0666	kJ
+	U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O
+	log_k -51.584
+	delta_h 16.0666 kJ
 (UO2)3(PO4)2
-	(UO2)3(PO4)2 = 3UO2+2 + 2PO4-3
-	log_k	-49.4
-	delta_h	397.062	kJ
+	(UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3
+	log_k -49.4
+	delta_h 397.062 kJ
 UO2HPO4
 	UO2HPO4 = UO2+2 + H+ + PO4-3
-	log_k	-24.225
-	delta_h	-0	kJ
+	log_k -24.225
+	delta_h -0 kJ
 Uramphite
-	(NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3
-	log_k	-51.749
-	delta_h	40.5848	kJ
+	(NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3
+	log_k -51.749
+	delta_h 40.5848 kJ
 Przhevalskite
-	Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3
-	log_k	-44.365
-	delta_h	-46.024	kJ
+	Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3
+	log_k -44.365
+	delta_h -46.024 kJ
 Torbernite
-	Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3
-	log_k	-45.279
-	delta_h	-66.5256	kJ
+	Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3
+	log_k -45.279
+	delta_h -66.5256 kJ
 Bassetite
-	Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3
-	log_k	-44.485
-	delta_h	-83.2616	kJ
+	Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3
+	log_k -44.485
+	delta_h -83.2616 kJ
 Saleeite
-	Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3
-	log_k	-43.646
-	delta_h	-84.4331	kJ
+	Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3
+	log_k -43.646
+	delta_h -84.4331 kJ
 Ningyoite
-	CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O
-	log_k	-53.906
-	delta_h	-9.4977	kJ
+	CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
+	log_k -53.906
+	delta_h -9.4977 kJ
 H-Autunite
-	H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3
-	log_k	-47.931
-	delta_h	-15.0624	kJ
+	H2(UO2)2(PO4)2 = 2 UO2+2 + 2 H+ + 2 PO4-3
+	log_k -47.931
+	delta_h -15.0624 kJ
 Autunite
-	Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3
-	log_k	-43.927
-	delta_h	-59.9986	kJ
+	Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3
+	log_k -43.927
+	delta_h -59.9986 kJ
 Sr-Autunite
-	Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3
-	log_k	-44.457
-	delta_h	-54.6012	kJ
+	Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3
+	log_k -44.457
+	delta_h -54.6012 kJ
 Na-Autunite
-	Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3
-	log_k	-47.409
-	delta_h	-1.9246	kJ
+	Na2(UO2)2(PO4)2 = 2 UO2+2 + 2 Na+ + 2 PO4-3
+	log_k -47.409
+	delta_h -1.9246 kJ
 K-Autunite
-	K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3
-	log_k	-48.244
-	delta_h	24.5182	kJ
+	K2(UO2)2(PO4)2 = 2 UO2+2 + 2 K+ + 2 PO4-3
+	log_k -48.244
+	delta_h 24.5182 kJ
 Uranocircite
-	Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3
-	log_k	-44.631
-	delta_h	-42.2584	kJ
+	Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3
+	log_k -44.631
+	delta_h -42.2584 kJ
 Pb3(AsO4)2
-	Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4
-	log_k	5.8
-	delta_h	-0	kJ
+	Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4
+	log_k 5.8
+	delta_h -0 kJ
 AlAsO4:2H2O
-	AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O
-	log_k	4.8
-	delta_h	-0	kJ
+	AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O
+	log_k 4.8
+	delta_h -0 kJ
 Zn3(AsO4)2:2.5H2O
-	Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O
-	log_k	13.65
-	delta_h	-0	kJ
+	Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O
+	log_k 13.65
+	delta_h -0 kJ
 Cu3(AsO4)2:2H2O
-	Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O
-	log_k	6.1
-	delta_h	-0	kJ
+	Cu3(AsO4)2:2H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 2 H2O
+	log_k 6.1
+	delta_h -0 kJ
 Ag3AsO3
-	Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3
-	log_k	2.1573
-	delta_h	-0	kJ
+	Ag3AsO3 + 3 H+ = 3 Ag+ + H3AsO3
+	log_k 2.1573
+	delta_h -0 kJ
 Ag3AsO4
-	Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4
-	log_k	-2.7867
-	delta_h	-0	kJ
+	Ag3AsO4 + 3 H+ = 3 Ag+ + H3AsO4
+	log_k -2.7867
+	delta_h -0 kJ
 Ni3(AsO4)2:8H2O
-	Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O
-	log_k	15.7
-	delta_h	-0	kJ
+	Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O
+	log_k 15.7
+	delta_h -0 kJ
 Co3(AsO4)2
-	Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4
-	log_k	13.0341
-	delta_h	-0	kJ
+	Co3(AsO4)2 + 6 H+ = 3 Co+2 + 2 H3AsO4
+	log_k 13.0341
+	delta_h -0 kJ
 FeAsO4:2H2O
-	FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O
-	log_k	0.4
-	delta_h	-0	kJ
+	FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O
+	log_k 0.4
+	delta_h -0 kJ
 Mn3(AsO4)2:8H2O
-	Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O
-	log_k	12.5
-	delta_h	-0	kJ
+	Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O
+	log_k 12.5
+	delta_h -0 kJ
 Ca3(AsO4)2:4H2O
-	Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O
-	log_k	22.3
-	delta_h	-0	kJ
+	Ca3(AsO4)2:4H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 4 H2O
+	log_k 22.3
+	delta_h -0 kJ
 Ba3(AsO4)2
-	Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4
-	log_k	-8.91
-	delta_h	11.0458	kJ
+	Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4
+	log_k -8.91
+	delta_h 11.0458 kJ
 #NH4VO3
 #	NH4VO3 + 2H+ = 2VO2+ + H2O
 #	log_k	3.8
 #	delta_h	30	kJ
 Pb3(VO4)2
-	Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O
-	log_k	6.14
-	delta_h	-72.6342	kJ
+	Pb3(VO4)2 + 8 H+ = 3 Pb+2 + 2 VO2+ + 4 H2O
+	log_k 6.14
+	delta_h -72.6342 kJ
 Pb2V2O7
-	Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O
-	log_k	-1.9
-	delta_h	-26.945	kJ
+	Pb2V2O7 + 6 H+ = 2 Pb+2 + 2 VO2+ + 3 H2O
+	log_k -1.9
+	delta_h -26.945 kJ
 AgVO3
-	AgVO3 + 2H+ = Ag+ + VO2+ + H2O
-	log_k	0.77
-	delta_h	-0	kJ
+	AgVO3 + 2 H+ = Ag+ + VO2+ + H2O
+	log_k 0.77
+	delta_h -0 kJ
 Ag2HVO4
-	Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O
-	log_k	1.48
-	delta_h	-0	kJ
+	Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O
+	log_k 1.48
+	delta_h -0 kJ
 Ag3H2VO5
-	Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O
-	log_k	5.18
-	delta_h	-0	kJ
+	Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O
+	log_k 5.18
+	delta_h -0 kJ
 Fe(VO3)2
-	Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O
-	log_k	-3.72
-	delta_h	-61.6722	kJ
+	Fe(VO3)2 + 4 H+ = Fe+2 + 2 VO2+ + 2 H2O
+	log_k -3.72
+	delta_h -61.6722 kJ
 Mn(VO3)2
-	Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O
-	log_k	4.9
-	delta_h	-92.4664	kJ
+	Mn(VO3)2 + 4 H+ = Mn+2 + 2 VO2+ + 2 H2O
+	log_k 4.9
+	delta_h -92.4664 kJ
 Mg(VO3)2
-	Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O
-	log_k	11.28
-	delta_h	-136.649	kJ
+	Mg(VO3)2 + 4 H+ = Mg+2 + 2 VO2+ + 2 H2O
+	log_k 11.28
+	delta_h -136.649 kJ
 Mg2V2O7
-	Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O
-	log_k	26.36
-	delta_h	-255.224	kJ
+	Mg2V2O7 + 6 H+ = 2 Mg+2 + 2 VO2+ + 3 H2O
+	log_k 26.36
+	delta_h -255.224 kJ
 Carnotite
-	KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O
-	log_k	0.23
-	delta_h	-36.4008	kJ
+	KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O
+	log_k 0.23
+	delta_h -36.4008 kJ
 Tyuyamunite
-	Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O
-	log_k	4.08
-	delta_h	-153.134	kJ
+	Ca(UO2)2(VO4)2 + 8 H+ = Ca+2 + 2 UO2+2 + 2 VO2+ + 4 H2O
+	log_k 4.08
+	delta_h -153.134 kJ
 Ca(VO3)2
-	Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O
-	log_k	5.66
-	delta_h	-84.7678	kJ
+	Ca(VO3)2 + 4 H+ = Ca+2 + 2 VO2+ + 2 H2O
+	log_k 5.66
+	delta_h -84.7678 kJ
 Ca3(VO4)2
-	Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O
-	log_k	38.96
-	delta_h	-293.466	kJ
+	Ca3(VO4)2 + 8 H+ = 3 Ca+2 + 2 VO2+ + 4 H2O
+	log_k 38.96
+	delta_h -293.466 kJ
 Ca2V2O7
-	Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O
-	log_k	17.5
-	delta_h	-159.494	kJ
+	Ca2V2O7 + 6 H+ = 2 Ca+2 + 2 VO2+ + 3 H2O
+	log_k 17.5
+	delta_h -159.494 kJ
 Ca3(VO4)2:4H2O
-	Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O
-	log_k	39.86
-	delta_h	-0	kJ
+	Ca3(VO4)2:4H2O + 8 H+ = 3 Ca+2 + 2 VO2+ + 8 H2O
+	log_k 39.86
+	delta_h -0 kJ
 Ca2V2O7:2H2O
-	Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O
-	log_k	21.552
-	delta_h	-0	kJ
+	Ca2V2O7:2H2O + 6 H+ = 2 Ca+2 + 2 VO2+ + 5 H2O
+	log_k 21.552
+	delta_h -0 kJ
 Ba3(VO4)2:4H2O
-	Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O
-	log_k	32.94
-	delta_h	-0	kJ
+	Ba3(VO4)2:4H2O + 8 H+ = 3 Ba+2 + 2 VO2+ + 8 H2O
+	log_k 32.94
+	delta_h -0 kJ
 Ba2V2O7:2H2O
-	Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O
-	log_k	15.872
-	delta_h	-0	kJ
+	Ba2V2O7:2H2O + 6 H+ = 2 Ba+2 + 2 VO2+ + 5 H2O
+	log_k 15.872
+	delta_h -0 kJ
 NaVO3
-	NaVO3 + 2H+ = Na+ + VO2+ + H2O
-	log_k	3.8582
-	delta_h	-30.1799	kJ
+	NaVO3 + 2 H+ = Na+ + VO2+ + H2O
+	log_k 3.8582
+	delta_h -30.1799 kJ
 Na3VO4
-	Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O
-	log_k	36.6812
-	delta_h	-184.61	kJ
+	Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O
+	log_k 36.6812
+	delta_h -184.61 kJ
 Na4V2O7
-	Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O
-	log_k	37.4
-	delta_h	-201.083	kJ
+	Na4V2O7 + 6 H+ = 4 Na+ + 2 VO2+ + 3 H2O
+	log_k 37.4
+	delta_h -201.083 kJ
 Halloysite
-	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-	log_k	9.5749
-	delta_h	-181.43	kJ
+	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+	log_k 9.5749
+	delta_h -181.43 kJ
 Kaolinite
-	Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O
-	log_k	7.435
-	delta_h	-148	kJ
+	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+	log_k 7.435
+	delta_h -148 kJ
 Greenalite
-	Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O
-	log_k	20.81
-	delta_h	-0	kJ
+	Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
+	log_k 20.81
+	delta_h -0 kJ
 Chrysotile
-	Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O
-	log_k	32.2
-	delta_h	-196	kJ
+	Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+	log_k 32.2
+	delta_h -196 kJ
 Sepiolite
-	Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4
-	log_k	15.76
-	delta_h	-114.089	kJ
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	log_k 15.76
+	delta_h -114.089 kJ
 Sepiolite(A)
-	Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4
-	log_k	18.78
-	delta_h	-0	kJ
+	Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+	log_k 18.78
+	delta_h -0 kJ
 PHASES
 O2(g)
-	O2 + 4H+ + 4e- = 2H2O
-	log_k	83.0894
-	delta_h	-571.66	kJ
+	O2 + 4 H+ + 4 e- = 2 H2O
+	log_k 83.0894
+	delta_h -571.66 kJ
 CH4(g)
-	CH4 + 3H2O = CO3-2 + 8e- + 10H+
-	log_k	-41.0452
-	delta_h	257.133	kJ
+	CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+
+	log_k -41.0452
+	delta_h 257.133 kJ
 CO2(g)
-	CO2 + H2O = 2H+ + CO3-2
-	log_k	-18.147
-	delta_h	4.06	kJ
+	CO2 + H2O = 2 H+ + CO3-2
+	log_k -18.147
+	delta_h 4.06 kJ
 H2S(g)
 	H2S = H+ + HS-
-	log_k	-8.01
-	delta_h	-0	kJ
+	log_k -8.01
+	delta_h -0 kJ
 H2Se(g)
 	H2Se = HSe- + H+
-	log_k	-4.96
-	delta_h	-15.3	kJ
+	log_k -4.96
+	delta_h -15.3 kJ
 Hg(g)
-	Hg = 0.5Hg2+2 + e-
-	log_k	-7.8733
-	delta_h	22.055	kJ
+	Hg = 0.5 Hg2+2 + e-
+	log_k -7.8733
+	delta_h 22.055 kJ
 Hg2(g)
-	Hg2 = Hg2+2 + 2e-
-	log_k	-14.9554
-	delta_h	58.07	kJ
+	Hg2 = Hg2+2 + 2 e-
+	log_k -14.9554
+	delta_h 58.07 kJ
 Hg(CH3)2(g)
-	Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+
-	log_k	-73.7066
-	delta_h	481.99	kJ
+	Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+
+	log_k -73.7066
+	delta_h 481.99 kJ
 HgF(g)
-	HgF = 0.5Hg2+2 + F-
-	log_k	32.6756
-	delta_h	-254.844	kJ
+	HgF = 0.5 Hg2+2 + F-
+	log_k 32.6756
+	delta_h -254.844 kJ
 HgF2(g)
-	HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+
-	log_k	12.5652
-	delta_h	-165.186	kJ
+	HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+
+	log_k 12.5652
+	delta_h -165.186 kJ
 HgCl(g)
-	HgCl = 0.5Hg2+2 + Cl-
-	log_k	19.4966
-	delta_h	-162.095	kJ
+	HgCl = 0.5 Hg2+2 + Cl-
+	log_k 19.4966
+	delta_h -162.095 kJ
 HgBr(g)
-	HgBr = 0.5Hg2+2 + Br-
-	log_k	16.7566
-	delta_h	-142.157	kJ
+	HgBr = 0.5 Hg2+2 + Br-
+	log_k 16.7566
+	delta_h -142.157 kJ
 HgBr2(g)
-	HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+
-	log_k	-18.3881
-	delta_h	54.494	kJ
+	HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
+	log_k -18.3881
+	delta_h 54.494 kJ
 HgI(g)
-	HgI = 0.5Hg2+2 + I-
-	log_k	11.3322
-	delta_h	-106.815	kJ
+	HgI = 0.5 Hg2+2 + I-
+	log_k 11.3322
+	delta_h -106.815 kJ
 HgI2(g)
-	HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+
-	log_k	-27.2259
-	delta_h	114.429	kJ
+	HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+
+	log_k -27.2259
+	delta_h 114.429 kJ
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 SURFACE_SPECIES
-Hfo_wOH = Hfo_wOH 
-        log_k 0.0
-Hfo_sOH = Hfo_sOH 
-        log_k 0.0
+Hfo_wOH = Hfo_wOH
+        log_k 0
+Hfo_sOH = Hfo_sOH
+        log_k 0
 Hfo_sOH + H+ = Hfo_sOH2+
-	log_k	7.29
-	delta_h	0	kJ
+	log_k 7.29
+	delta_h 0 kJ
 		#                  Id:	8113302
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH = Hfo_sO- + H+
-	log_k	-8.93
-	delta_h	0	kJ
+	log_k -8.93
+	delta_h 0 kJ
 		#                  Id:	8113301
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + H+ = Hfo_wOH2+
-	log_k	7.29
-	delta_h	0	kJ
+	log_k 7.29
+	delta_h 0 kJ
 		#                  Id:	8123302
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH = Hfo_wO- + H+
-	log_k	-8.93
-	delta_h	0	kJ
+	log_k -8.93
+	delta_h 0 kJ
 		#                  Id:	8123301
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-	log_k	5.46
-	delta_h	0	kJ
+	log_k 5.46
+	delta_h 0 kJ
 		#                  Id:	8111000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-	log_k	-7.2
-	delta_h	0	kJ
+	log_k -7.2
+	delta_h 0 kJ
 		#                  Id:	8121000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-	log_k	4.97
-	delta_h	0	kJ
+	log_k 4.97
+	delta_h 0 kJ
 		#                  Id:	8111500
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
-	log_k	-5.85
-	delta_h	0	kJ
+	log_k -5.85
+	delta_h 0 kJ
 		#                  Id:	8121500
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
-	log_k	-4.6
-	delta_h	0	kJ
+	log_k -4.6
+	delta_h 0 kJ
 		#                  Id:	8124600
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Ag+ = Hfo_sOAg + H+
-	log_k	-1.72
-	delta_h	0	kJ
+	log_k -1.72
+	delta_h 0 kJ
 		#                  Id:	8110200
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Ag+ = Hfo_wOAg + H+
-	log_k	-5.3
-	delta_h	0	kJ
+	log_k -5.3
+	delta_h 0 kJ
 		#                  Id:	8120200
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
-	log_k	0.37
-	delta_h	0	kJ
+	log_k 0.37
+	delta_h 0 kJ
 		#                  Id:	8115400
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
-	log_k	-2.5
-	delta_h	0	kJ
+	log_k -2.5
+	delta_h 0 kJ
 		#                  Id:	8125400
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-	log_k	0.47
-	delta_h	0	kJ
+	log_k 0.47
+	delta_h 0 kJ
 		#                  Id:	8111600
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-	log_k	-2.9
-	delta_h	0	kJ
+	log_k -2.9
+	delta_h 0 kJ
 		#                  Id:	8121600
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Co+2 = Hfo_sOCo+ + H+
-	log_k	-0.46
-	delta_h	0	kJ
+	log_k -0.46
+	delta_h 0 kJ
 		#                  Id:	8112000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Co+2 = Hfo_wOCo+ + H+
-	log_k	-3.01
-	delta_h	0	kJ
+	log_k -3.01
+	delta_h 0 kJ
 		#                  Id:	8122000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-	log_k	0.99
-	delta_h	0	kJ
+	log_k 0.99
+	delta_h 0 kJ
 		#                  Id:	8119500
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-	log_k	-1.99
-	delta_h	0	kJ
+	log_k -1.99
+	delta_h 0 kJ
 		#                  Id:	8129500
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-	log_k	2.89
-	delta_h	0	kJ
+	log_k 2.89
+	delta_h 0 kJ
 		#                  Id:	8112310
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-	log_k	0.6
-	delta_h	0	kJ
+	log_k 0.6
+	delta_h 0 kJ
 		#                  Id:	8123100
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-	log_k	4.65
-	delta_h	0	kJ
+	log_k 4.65
+	delta_h 0 kJ
 		#                  Id:	8116000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-	log_k	0.3
-	delta_h	0	kJ
+	log_k 0.3
+	delta_h 0 kJ
 		#                  Id:	8126000
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Be+2 = Hfo_sOBe+ + H+
-	log_k	5.7
-	delta_h	0	kJ
+	log_k 5.7
+	delta_h 0 kJ
 		#                  Id:	8111100
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Be+2 = Hfo_wOBe+ + H+
-	log_k	3.3
-	delta_h	0	kJ
+	log_k 3.3
+	delta_h 0 kJ
 		#                  Id:	8121100
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2H2O
-	log_k	13.95
-	delta_h	0	kJ
+Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2 H2O
+	log_k 13.95
+	delta_h 0 kJ
 		#                  Id:	8113610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2H2O
-	log_k	12.64
-	delta_h	0	kJ
+Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2 H2O
+	log_k 12.64
+	delta_h 0 kJ
 		#                  Id:	8123610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2H2O
-	log_k	15.1
-	delta_h	0	kJ
+Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2 H2O
+	log_k 15.1
+	delta_h 0 kJ
 		#                  Id:	8117900
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2H2O
-	log_k	13
-	delta_h	0	kJ
+Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2 H2O
+	log_k 13
+	delta_h 0 kJ
 		#                  Id:	8127900
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Cr(OH)2+ = Hfo_sOCrOH+ + H2O
-	log_k	11.63
-	delta_h	0	kJ
+	log_k 11.63
+	delta_h 0 kJ
 		#                  Id:	8112110
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O
-	log_k	5.41
-	delta_h	0	kJ
+	log_k 5.41
+	delta_h 0 kJ
 		#                  Id:	8110600
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
-	log_k	5.41
-	delta_h	0	kJ
+	log_k 5.41
+	delta_h 0 kJ
 		#                  Id:	8120600
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O
-	log_k	0.62
-	delta_h	0	kJ
+	log_k 0.62
+	delta_h 0 kJ
 		#                  Id:	8110900
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-	log_k	0.62
-	delta_h	0	kJ
+	log_k 0.62
+	delta_h 0 kJ
 		#                  Id:	8120900
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O
-	log_k	31.29
-	delta_h	0	kJ
+Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O
+	log_k 31.29
+	delta_h 0 kJ
 		#                  Id:	8115800
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-	log_k	31.29
-	delta_h	0	kJ
+Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+	log_k 31.29
+	delta_h 0 kJ
 		#                  Id:	8125800
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O
-	log_k	25.39
-	delta_h	0	kJ
+Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O
+	log_k 25.39
+	delta_h 0 kJ
 		#                  Id:	8115801
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-	log_k	25.39
-	delta_h	0	kJ
+Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+	log_k 25.39
+	delta_h 0 kJ
 		#                  Id:	8125801
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O
-	log_k	17.72
-	delta_h	0	kJ
+	log_k 17.72
+	delta_h 0 kJ
 		#                  Id:	8115802
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-	log_k	17.72
-	delta_h	0	kJ
+	log_k 17.72
+	delta_h 0 kJ
 		#                  Id:	8125802
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O
-	log_k	8.61
-	delta_h	0	kJ
+	log_k 8.61
+	delta_h 0 kJ
 		#                  Id:	8110610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O
-	log_k	8.61
-	delta_h	0	kJ
+	log_k 8.61
+	delta_h 0 kJ
 		#                  Id:	8120610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+
-	log_k	2.81
-	delta_h	0	kJ
+	log_k 2.81
+	delta_h 0 kJ
 		#                  Id:	8110611
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+
-	log_k	2.81
-	delta_h	0	kJ
+	log_k 2.81
+	delta_h 0 kJ
 		#                  Id:	8120611
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+
-	log_k	-10.12
-	delta_h	0	kJ
+Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+
+	log_k -10.12
+	delta_h 0 kJ
 		#                  Id:	8110613
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+
-	log_k	-10.12
-	delta_h	0	kJ
+Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+
+	log_k -10.12
+	delta_h 0 kJ
 		#                  Id:	8120613
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + VO2+ + 2H2O = Hfo_sOHVO4-3 + 4H+
-	log_k	-16.63
-	delta_h	0	kJ
+Hfo_sOH + VO2+ + 2 H2O = Hfo_sOHVO4-3 + 4 H+
+	log_k -16.63
+	delta_h 0 kJ
 		#                  Id:	8119031
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + VO2+ + 2H2O = Hfo_wOHVO4-3 + 4H+
-	log_k	-16.63
-	delta_h	0	kJ
+Hfo_wOH + VO2+ + 2 H2O = Hfo_wOHVO4-3 + 4 H+
+	log_k -16.63
+	delta_h 0 kJ
 		#                  Id:	8129031
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + SO4-2 + H+ = Hfo_sSO4- + H2O
-	log_k	7.78
-	delta_h	0	kJ
+	log_k 7.78
+	delta_h 0 kJ
 		#                  Id:	8117320
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-	log_k	7.78
-	delta_h	0	kJ
+	log_k 7.78
+	delta_h 0 kJ
 		#                  Id:	8127320
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + SO4-2 = Hfo_sOHSO4-2
-	log_k	0.79
-	delta_h	0	kJ
+	log_k 0.79
+	delta_h 0 kJ
 		#                  Id:	8117321
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-	log_k	0.79
-	delta_h	0	kJ
+	log_k 0.79
+	delta_h 0 kJ
 		#                  Id:	8127321
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + HSeO3- = Hfo_sSeO3- + H2O
-	log_k	4.29
-	delta_h	0	kJ
+	log_k 4.29
+	delta_h 0 kJ
 		#                  Id:	8117610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + HSeO3- = Hfo_wSeO3- + H2O
-	log_k	4.29
-	delta_h	0	kJ
+	log_k 4.29
+	delta_h 0 kJ
 		#                  Id:	8127610
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + HSeO3- = Hfo_sOHSeO3-2 + H+
-	log_k	-3.23
-	delta_h	0	kJ
+	log_k -3.23
+	delta_h 0 kJ
 		#                  Id:	8117611
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + HSeO3- = Hfo_wOHSeO3-2 + H+
-	log_k	-3.23
-	delta_h	0	kJ
+	log_k -3.23
+	delta_h 0 kJ
 		#                  Id:	8127611
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + SeO4-2 + H+ = Hfo_sSeO4- + H2O
-	log_k	7.73
-	delta_h	0	kJ
+	log_k 7.73
+	delta_h 0 kJ
 		#                  Id:	8117620
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
-	log_k	7.73
-	delta_h	0	kJ
+	log_k 7.73
+	delta_h 0 kJ
 		#                  Id:	8127620
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + SeO4-2 = Hfo_sOHSeO4-2
-	log_k	0.8
-	delta_h	0	kJ
+	log_k 0.8
+	delta_h 0 kJ
 		#                  Id:	8117621
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
-	log_k	0.8
-	delta_h	0	kJ
+	log_k 0.8
+	delta_h 0 kJ
 		#                  Id:	8127621
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + CrO4-2 + H+ = Hfo_sCrO4- + H2O
-	log_k	10.85
-	delta_h	0	kJ
+	log_k 10.85
+	delta_h 0 kJ
 		#                  Id:	8112120
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + CrO4-2 + H+ = Hfo_wCrO4- + H2O
-	log_k	10.85
-	delta_h	0	kJ
+	log_k 10.85
+	delta_h 0 kJ
 		#                  Id:	8122120
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + CrO4-2 = Hfo_sOHCrO4-2
-	log_k	3.9
-	delta_h	0	kJ
+	log_k 3.9
+	delta_h 0 kJ
 		#                  Id:	8112121
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + CrO4-2 = Hfo_wOHCrO4-2
-	log_k	3.9
-	delta_h	0	kJ
+	log_k 3.9
+	delta_h 0 kJ
 		#                  Id:	8122121
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + MoO4-2 + H+ = Hfo_sMoO4- + H2O
-	log_k	9.5
-	delta_h	0	kJ
+	log_k 9.5
+	delta_h 0 kJ
 		#                  Id:	8114800
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + MoO4-2 + H+ = Hfo_wMoO4- + H2O
-	log_k	9.5
-	delta_h	0	kJ
+	log_k 9.5
+	delta_h 0 kJ
 		#                  Id:	8124800
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + MoO4-2 = Hfo_sOHMoO4-2
-	log_k	2.4
-	delta_h	0	kJ
+	log_k 2.4
+	delta_h 0 kJ
 		#                  Id:	8114801
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + MoO4-2 = Hfo_wOHMoO4-2
-	log_k	2.4
-	delta_h	0	kJ
+	log_k 2.4
+	delta_h 0 kJ
 		#                  Id:	8124801
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2H2O
-	log_k	8.4
-	delta_h	0	kJ
+Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2 H2O
+	log_k 8.4
+	delta_h 0 kJ
 		#                  Id:	8117410
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
-Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2H2O
-	log_k	8.4
-	delta_h	0	kJ
+Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2 H2O
+	log_k 8.4
+	delta_h 0 kJ
 		#                  Id:	8127410
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Sb(OH)6- = Hfo_sOHSbO(OH)4- + H2O
-	log_k	1.3
-	delta_h	0	kJ
+	log_k 1.3
+	delta_h 0 kJ
 		#                  Id:	8117411
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Sb(OH)6- = Hfo_wOHSbO(OH)4- + H2O
-	log_k	1.3
-	delta_h	0	kJ
+	log_k 1.3
+	delta_h 0 kJ
 		#                  Id:	8127411
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Cyanide- + H+ = Hfo_sCyanide + H2O
-	log_k	13
-	delta_h	0	kJ
+	log_k 13
+	delta_h 0 kJ
 		#                  Id:	8111430
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Cyanide- + H+ = Hfo_wCyanide + H2O
-	log_k	13
-	delta_h	0	kJ
+	log_k 13
+	delta_h 0 kJ
 		#                  Id:	8121430
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_sOH + Cyanide- = Hfo_sOHCyanide-
-	log_k	5.7
-	delta_h	0	kJ
+	log_k 5.7
+	delta_h 0 kJ
 		#                  Id:	8111431
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 Hfo_wOH + Cyanide- = Hfo_wOHCyanide-
-	log_k	5.7
-	delta_h	0	kJ
+	log_k 5.7
+	delta_h 0 kJ
 		#                  Id:	8121431
-		#        log K source:	                              
-		#      Delta H source:	                              
+		#        log K source:	
+		#      Delta H source:	
 		#T and ionic strength:	
 END
 
diff --git a/database/phreeqc.dat b/database/phreeqc.dat
index 65c1656f..04fe478e 100644
--- a/database/phreeqc.dat
+++ b/database/phreeqc.dat
@@ -1,1417 +1,1417 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024  19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
+# Created 22 May 2024 19:55:37
+# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat
+
 # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 
 SOLUTION_MASTER_SPECIES
 #
-#element	species	alk	gfw_formula	element_gfw
+#element    species alk gfw_formula     element_gfw
 #
-H		H+	-1.0	H		1.008
-H(0)		H2	0	H
-H(1)		H+	-1.0	0
-E		e-	0	0.0		0
-O		H2O	0	O		16.0
-O(0)		O2	0	O
-O(-2)		H2O	0	0
-Ca		Ca+2	0	Ca		40.08
-Mg		Mg+2	0	Mg		24.312
-Na		Na+	0	Na		22.9898
-K		K+	0	K		39.102
-Fe		Fe+2	0	Fe		55.847
-Fe(+2)		Fe+2	0	Fe
-Fe(+3)		Fe+3	-2.0	Fe
-Mn		Mn+2	0	Mn		54.938
-Mn(+2)		Mn+2	0	Mn
-Mn(+3)		Mn+3	0	Mn
-Al		Al+3	0	Al		26.9815
-Ba		Ba+2	0	Ba		137.34
-Sr		Sr+2	0	Sr		87.62
-Si		H4SiO4	0	SiO2		28.0843
-Cl		Cl-	0	Cl		35.453
-C		CO3-2	2.0	HCO3		12.0111
-C(+4)		CO3-2	2.0	HCO3
-C(-4)		CH4	0	CH4
-Alkalinity	CO3-2	1.0	Ca0.5(CO3)0.5	50.05
-S		SO4-2	0	SO4		32.064
-S(6)		SO4-2	0	SO4
-S(-2)		HS-	1.0	S
-N		NO3-	0	N		14.0067
-N(+5)		NO3-	0	N
-N(+3)		NO2-	0	N
-N(0)		N2	0	N
-N(-3)		NH4+	0	N		14.0067
-#Amm		AmmH+	0	AmmH		17.031
-B		H3BO3	0	B		10.81
-P		PO4-3	2.0	P		30.9738
-F		F-	0	F		18.9984
-Li		Li+	0	Li		6.939
-Br		Br-	0	Br		79.904
-Zn		Zn+2	0	Zn		65.37
-Cd		Cd+2	0	Cd		112.4
-Pb		Pb+2	0	Pb		207.19
-Cu		Cu+2	0	Cu		63.546
-Cu(+2)		Cu+2	0	Cu
-Cu(+1)		Cu+1	0	Cu
-# redox-uncoupled gases
-Hdg		Hdg	0	Hdg		2.016 # H2 gas
-Oxg		Oxg	0	Oxg		32 # O2 gas
-Mtg		Mtg	0	Mtg		16.032 # CH4 gas
-Sg		H2Sg	 0.0	H2Sg		32.064 # H2S gas
-Ntg		Ntg	0	Ntg		28.0134 # N2 gas
+H           H+      -1  H               1.008
+H(0)        H2      0   H
+H(1)        H+      -1  H
+E           e-      1   0               0
+O           H2O     0   O               16
+O(0)        O2      0   O
+O(-2)       H2O     0   0
+Ca          Ca+2    0   Ca              40.08
+Mg          Mg+2    0   Mg              24.312
+Na          Na+     0   Na              22.9898
+K           K+      0   K               39.102
+Fe          Fe+2    0   Fe              55.847
+Fe(+2)      Fe+2    0   Fe
+Fe(+3)      Fe+3    -2  Fe
+Mn          Mn+2    0   Mn              54.938
+Mn(+2)      Mn+2    0   Mn
+Mn(+3)      Mn+3    0   Mn
+Al          Al+3    0   Al              26.9815
+Ba          Ba+2    0   Ba              137.34
+Sr          Sr+2    0   Sr              87.62
+Si          H4SiO4  0   SiO2            28.0843
+Cl          Cl-     0   Cl              35.453
+C           CO3-2   2   HCO3            12.0111
+C(+4)       CO3-2   2   HCO3
+C(-4)       CH4     0   CH4
+Alkalinity  CO3-2   1   Ca0.5(CO3)0.5   50.05
+S           SO4-2   0   SO4             32.064
+S(6)        SO4-2   0   SO4
+S(-2)       HS-     1   S
+N           NO3-    0   N               14.0067
+N(+5)       NO3-    0   N
+N(+3)       NO2-    0   N
+N(0)        N2      0   N
+N(-3)       NH4+    0   N               14.0067
+#Amm        AmmH+   0   AmmH            17.031
+B           H3BO3   0   B               10.81
+P           PO4-3   2   P               30.9738
+F           F-      0   F               18.9984
+Li          Li+     0   Li              6.939
+Br          Br-     0   Br              79.904
+Zn          Zn+2    0   Zn              65.37
+Cd          Cd+2    0   Cd              112.4
+Pb          Pb+2    0   Pb              207.19
+Cu          Cu+2    0   Cu              63.546
+Cu(+2)      Cu+2    0   Cu
+Cu(+1)      Cu+1    0   Cu
+#   redox-uncoupled gases
+Hdg         Hdg     0   Hdg             2.016   #   H2  gas
+Oxg         Oxg     0   Oxg             32      #   O2  gas
+Mtg         Mtg     0   Mtg             16.032  #   CH4 gas
+Sg          H2Sg    0   H2Sg            32.064  #   H2S gas
+Ntg         Ntg     0   Ntg             28.0134 #   N2  gas
 
 SOLUTION_SPECIES
 H+ = H+
-	-gamma	9.0	0
-	-dw	9.31e-9  1000  0.46  1e-10 # The dw parameters are defined in ref. 3.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-	-viscosity  9.35e-2  -8.31e-2  2.487e-2  4.49e-4  2.01e-2  1.570 # for viscosity parameters see ref. 4
+	-gamma 9 0
+	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
+	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
+#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
+# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
+
+# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
 e- = e-
 H2O = H2O
+	-dw 2.299e-9 -254
 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence
-Ca+2 = Ca+2
-	-gamma	5.0	0.1650
-	-dw	0.793e-9  97  3.4  24.6
-	-Vm  -0.3456  -7.252  6.149  -2.479  1.239  5  1.60  -57.1  -6.12e-3  1 # The apparent volume parameters are defined in ref. 1 & 2
-	-viscosity  0.359  -0.158  4.2e-2  1.5e-3  8.04e-3  2.30 # ref. 4, CaCl2 < 6 M
-Mg+2 = Mg+2
-	-gamma	5.5	0.20
-	-dw	0.705e-9  111  2.4  13.7
-	-Vm  -1.410  -8.6  11.13  -2.39  1.332  5.5  1.29  -32.9  -5.86e-3  1
-	-viscosity  0.426  0  0  1.66e-3  4.32e-3  2.461
-Na+ = Na+
-	-gamma	4.0	 0.075
-	-gamma	4.08 0.082 # halite solubility
-	-dw	1.33e-9  122  1.52  3.70
-	-Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.566
-# for calculating densities (rho) when I > 3...
-	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45
-	-viscosity  0.1387  -8.66e-2  1.25e-2  1.45e-2  7.5e-3  1.062
-K+ = K+
-	-gamma	3.5	0.015
-	-dw	1.96e-9  395  2.5  21
-	-Vm  3.322  -1.473  6.534  -2.712  9.06e-2  3.5  0  29.7  0  1
-	-viscosity  0.116  -0.191  1.52e-2  1.40e-2  2.59e-2  0.9028
-Fe+2 = Fe+2
-	-gamma	6.0	0
-	-dw	 0.719e-9
-	-Vm  -0.3255  -9.687  1.536  -2.379  0.3033  6  -4.21e-2  39.7  0  1
-Mn+2 = Mn+2
-	-gamma	6.0	0
-	-dw	 0.688e-9
-	-Vm  -1.10  -8.03  4.08  -2.45  1.4  6  8.07  0  -1.51e-2  0.118
-Al+3 = Al+3
-	-gamma	9.0	0
-	-dw	 0.559e-9
-	-Vm   -2.28  -17.1  10.9  -2.07  2.87  9  0  0  5.5e-3  1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
-Ba+2 = Ba+2
-	-gamma  5.0  0
-	-gamma	4.0  0.153 # Barite solubility
-	-dw 0.848e-9  100
-	-Vm  2.063  -10.06  1.9534  -2.36  0.4218  5  1.58  -12.03  -8.35e-3  1
-	-viscosity  0.338  -0.227  1.39e-2  3.07e-2  0  0.768
-Sr+2 = Sr+2
-	-gamma	5.260	0.121
-	-dw	 0.794e-9  161
-	-Vm  -1.57e-2  -10.15  10.18  -2.36  0.860  5.26  0.859  -27.0  -4.1e-3  1.97
-	-viscosity  0.472  -0.252  5.51e-3  3.67e-3  0  1.876
-H4SiO4 = H4SiO4
-	-dw	 1.10e-9
-	-Vm  10.5  1.7  20  -2.7  0.1291 # supcrt + 2*H2O in a1
-Cl- = Cl-
-	-gamma	3.5	  0.015
-	-gamma	3.63  0.017 # cf. pitzer.dat
-	-dw	2.03e-9  194  1.6  6.9
-	-Vm  4.465  4.801  4.325  -2.847  1.748  0  -0.331  20.16  0  1
-	-viscosity   0  0  0  0  0  0  1 # the reference solute
-CO3-2 = CO3-2
-	-gamma	5.4	0
-        -dw	0.955e-9  28.9  14.3  98.1
-	-Vm  8.69  -10.2  -20.31  -0.131  4.65  0  3.75  0  -4.04e-2  0.678
-	-viscosity  0  0.301  4.12e-2  1.44e-3  1.41e-2  1.364  -2.00
-SO4-2 = SO4-2
-	-gamma	5.0	-0.04
-	-dw	1.07e-9  187  2.64  22.6
-        -Vm  9.379  3.26  0  -7.13  4.30  0  0  0  -3.73e-2  0 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
-	-viscosity  -1.83  1.907  4.8e-4  1.7e-3  -1.60e-2  4.40  -0.143
-NO3- = NO3-
-	-gamma	3.0	0
-	-dw	1.9e-9  184  1.85  3.85
-	-Vm  6.32  6.78  0  -3.06  0.346  0  0.93  0  -0.012  1
-	-viscosity  8.37e-2  -0.458  1.54e-2  0.340  1.79e-2  5.02e-2  0.7381
-#AmmH+ = AmmH+
-#	-gamma	2.5	0
-#	-dw	1.98e-9  312  0.95  4.53
-#	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
-#	-viscosity  9.9e-2  -0.159  1.36e-2  6.51e-3  3.21e-2  0.972
-H3BO3 = H3BO3
-	-dw	1.1e-9
-	-Vm 7.0643  8.8547  3.5844  -3.1451 -.2000  # supcrt
-PO4-3 = PO4-3
-	-gamma	4.0	0
-	-dw	 0.612e-9
-	-Vm   1.24  -9.07  9.31  -2.4  5.61  0  0  0  -1.41e-2  1
-F- = F-
-	-gamma	3.5	0
-	-dw	 1.46e-9  10
-	-Vm   0.928  1.36  6.27  -2.84  1.84  0  0  -0.318  0  1
 Li+ = Li+
-	-gamma	6.0	0
-	-dw	 1.03e-9  80
-	-Vm  -0.419  -0.069  13.16  -2.78  0.416  0  0.296  -12.4  -2.74e-3  1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
-	-viscosity  0.162  -2.45e-2  3.73e-2  9.7e-4  8.1e-4  2.087
+	-gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2
+	-Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
+	-viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl
+	-dw 1.03e-9 -14 4.03 0.8341 1.679
+Na+ = Na+
+	-gamma 4 0.075
+	-gamma 4.08 0.082 # halite solubility
+	-Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566
+	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45 # for densities (rho) when I > 3.
+	-viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062
+	-dw 1.33e-9 75 3.627 0 0.7037
+K+ = K+
+	-gamma 3.5 0.015
+	-Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1
+	-viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028
+	-dw 1.96e-9 254 3.484 0 0.1964
+Mg+2 = Mg+2
+	-gamma 5.5 0.2
+	-Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1
+	-viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461
+	-dw 0.705e-9 -4 5.569 0 1.047
+Ca+2 = Ca+2
+	-gamma 5 0.165
+	-Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1
+	-viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M
+	-dw 0.792e-9 34 5.411 0 1.046
+Sr+2 = Sr+2
+	-gamma 5.26 0.121
+	-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
+	-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
+	-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
+Ba+2 = Ba+2
+	-gamma 5 0
+	-gamma 4 0.153 # Barite solubility
+	-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1
+	-viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768
+	-dw 0.848e-9 174 10.53 0 3
+Fe+2 = Fe+2
+	-gamma 6 0
+	-Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1
+	-dw 0.719e-9
+Mn+2 = Mn+2
+	-gamma 6 0
+	-Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118
+	-dw 0.688e-9
+Al+3 = Al+3
+	-gamma 9 0
+	-Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353
+	-dw 0.559e-9
+H4SiO4 = H4SiO4
+	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
+	-dw 1.1e-9
+Cl- = Cl-
+	-gamma 3.5 0.015
+	-gamma 3.63 0.017 # cf. pitzer.dat
+	-Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1
+	-viscosity 0 0 0 0 0 0 1 # the reference solute
+	-dw 2.033e-9 216 3.16 0.2071 0.7432
+CO3-2 = CO3-2
+	-gamma 5.4 0
+	-Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316
+	-viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147
+	-dw 0.955e-9 -103 2.246 7.13e-2 0.3686
+SO4-2 = SO4-2
+	-gamma 5 -0.04
+	-Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
+	-viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605
+	-dw 1.07e-9 -114 17 6.02e-2 4.94e-2
+NO3- = NO3-
+	-gamma 3 0
+	-Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1
+	-viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381
+	-dw 1.9e-9 104 1.11
+# AmmH+ = AmmH+
+#	-gamma 2.5 0
+#	-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+#	-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+#	-dw 1.98e-9 203 1.47 2.644 6.81e-2
+H3BO3 = H3BO3
+	-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
+	-dw 1.1e-9
+PO4-3 = PO4-3
+	-gamma 4 0
+	-Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1
+	-dw 0.612e-9
+F- = F-
+	-gamma 3.5 0
+	-Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1
+	-viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586
+	-dw 1.46e-9 -36 4.352
 Br- = Br-
-	-gamma	3.0	0
-	-dw	 2.01e-9  258
-	-Vm   6.72  2.85  4.21  -3.14  1.38  0  -9.56e-2  7.08  -1.56e-3  1
-	-viscosity  -1.15e-2  -5.75e-2  5.72e-2  1.46e-2  0.116  0.9295  0.820
+	-gamma 3 0
+	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
+	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-dw 2.09e-9 208 3.5 0 0.5737
 Zn+2 = Zn+2
-	-gamma	5.0	0
-	-dw	 0.715e-9
-	-Vm  -1.96  -10.4  14.3  -2.35  1.46  5  -1.43  24  1.67e-2  1.11
+	-gamma 5 0
+	-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
+	-dw 0.715e-9
 Cd+2 = Cd+2
-	-dw	 0.717e-9
-	-Vm   1.63  -10.7  1.01  -2.34  1.47  5  0  0  0  1
+	-Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1
+	-dw 0.717e-9
 Pb+2 = Pb+2
-	-dw	 0.945e-9
-	-Vm  -.0051  -7.7939  8.8134  -2.4568  1.0788 4.5 # supcrt
+	-Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt
+	-dw 0.945e-9
 Cu+2 = Cu+2
-	-gamma	6.0	0
-	-dw	 0.733e-9
-	-Vm   -1.13  -10.5  7.29  -2.35  1.61  6  9.78e-2  0  3.42e-3  1
+	-gamma 6 0
+	-Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1
+	-dw 0.733e-9
 # redox-uncoupled gases
 Hdg = Hdg # H2
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
 Oxg = Oxg # O2
-	-dw	 2.35e-9
-	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
 Mtg = Mtg # CH4
-	-dw   1.85e-9
-	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
 Ntg = Ntg # N2
-	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519
-	-Vm 7 # Pray et al., 1952, IEC 44. 1146
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
 H2Sg = H2Sg # H2S
-	-dw	 2.1e-9
-        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
 # aqueous species
 H2O = OH- + H+
-	-analytic  293.29227  0.1360833  -10576.913  -123.73158  0  -6.996455e-5
-	-gamma	3.5	0
-	-dw	 5.27e-9  548  0.52  1e-10
-	-Vm  -9.66  28.5  80.0 -22.9 1.89 0 1.09 0 0 1
-	-viscosity  -1.02e-1  0.189  9.4e-3  -4e-5  0  3.281  -2.053 # < 5 M Li,Na,KOH
+	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
+	-gamma 3.5 0
+	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
+	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-dw 5.27e-9 478 0.8695
 2 H2O = O2 + 4 H+ + 4 e-
-	-log_k	-86.08
+	-log_k -86.08
 	-delta_h 134.79 kcal
-	-dw	 2.35e-9
-	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
 2 H+ + 2 e- = H2
-	-log_k	-3.15
+	-log_k -3.15
 	-delta_h -1.759 kcal
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
 H+ + Cl- = HCl
-	-log_k  -0.5
-	-analytical_expression  0.334  -2.684e-3  1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
-	-gamma  0  0.4256
-	-viscosity  0.921  -0.765  8.32e-3  8.25e-4  2.53e-3 4.223
+	-log_k -0.5
+	-analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
+	-gamma 0 0.4256
+	-viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223
 CO3-2 + H+ = HCO3-
-	-log_k	10.329
-	-delta_h -3.561	kcal
-	-analytic  107.8871  0.03252849  -5151.79  -38.92561  563713.9
-	-gamma	5.4      0
-	-dw	1.18e-9  -182  0.351  -4.94
-	-Vm  9.03  -7.03e-2  -13.38  0  2.05  0  0  128  0  0.8242
-	-viscosity  0  0.117  -2.91e-2  0  0  0  0.896
+	-log_k 10.329;  -delta_h -3.561 kcal
+	-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
+	-Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144
+	-viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253
+	-dw 1.18e-9 -190 11.386
 CO3-2 + 2 H+ = CO2 + H2O
-	-log_k	16.681
-	-delta_h -5.738	kcal
-	-analytic	464.1965	0.09344813	-26986.16	-165.75951	2248628.9
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   7.29  0.92  2.07  -1.23  -1.60 # McBride et al. 2015, JCED 60, 171
+	-log_k 16.681
+	-delta_h -5.738 kcal
+	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
-2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
 	-log_k -1.8
-	-analytical_expression  8.68  -0.0103  -2190
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   14.58  1.84  4.14  -2.46  -3.20
+	-analytical_expression 8.68 -0.0103 -2190
+	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
-	-log_k	41.071
+	-log_k 41.071
 	-delta_h -61.039 kcal
-	-dw   1.85e-9
-	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
 SO4-2 + H+ = HSO4-
-	-log_k	1.988
-	-delta_h 3.85	kcal
-	-analytic	-56.889	0.006473	2307.9	19.8858
-	-dw	 1.33e-9
-	-Vm 8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1
+	-log_k 1.988;  -delta_h 3.85 kcal
+	-analytic -56.889 0.006473 2307.9 19.8858
+	-Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1
+	-viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987
+	-dw 1.22e-9 1000 15 2.861
 HS- = S-2 + H+
-	-log_k	-12.918
-	-delta_h 12.1	kcal
-	-gamma	5.0	0
-	-dw	 0.731e-9
+	-log_k -12.918
+	-delta_h 12.1 kcal
+	-gamma 5 0
+	-dw 0.731e-9
 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
-	-log_k	33.65
-	-delta_h -60.140 kcal
-	-gamma	3.5	0
-	-dw	 1.73e-9
-	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
+	-log_k 33.65
+	-delta_h -60.14 kcal
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
 HS- + H+ = H2S
-	-log_k	6.994
-	-delta_h -5.30	kcal
-	-analytical  -11.17  0.02386  3279.0
-	-dw	 2.1e-9
-        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
-2H2S = (H2S)2 # activity correction for H2S solubility at high P, T
-	-analytical_expression   10.227  -0.01384  -2200
-	-dw	 2.1e-9
-	-Vm   36.41  -71.95  0  0  2.58
+	-log_k 6.994; -delta_h -5.3 kcal
+	-analytical -11.17 0.02386 3279
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
+2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
 H2Sg = HSg- + H+
-	-log_k	-6.994
-	-delta_h 5.30	kcal
-	-analytical_expression  11.17  -0.02386  -3279.0
-	-gamma 3.5	0
-	-dw	 1.73e-9
-	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
-2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
-	-analytical_expression   10.227  -0.01384  -2200
-	-dw	 2.1e-9
-	-Vm   36.41  -71.95  0  0  2.58
+	-log_k -6.994; -delta_h 5.3 kcal
+	-analytical_expression 11.17 -0.02386 -3279
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
+2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
 NO3- + 2 H+ + 2 e- = NO2- + H2O
-	-log_k	28.570
-	-delta_h -43.760 kcal
-	-gamma	3.0	0
-	-dw	 1.91e-9
-	-Vm  5.5864  5.8590  3.4472  -3.0212  1.1847 # supcrt
+	-log_k 28.57
+	-delta_h -43.76 kcal
+	-gamma 3 0
+	-Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt
+	-dw 1.91e-9
 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
-	-log_k	207.08
-	-delta_h -312.130	kcal
-	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519	
-	-Vm 7 # Pray et al., 1952, IEC 44. 1146
-#AmmH+ = Amm + H+
+	-log_k 207.08
+	-delta_h -312.13 kcal
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
-	-log_k	119.077
-	-delta_h -187.055	kcal	
-	-gamma	2.5	0
-	-dw	1.98e-9  312  0.95  4.53
-	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
-	-viscosity  9.9e-2  -0.159  1.36e-2  6.51e-3  3.21e-2  0.972
-
+	-log_k 119.077
+	-delta_h -187.055 kcal
+	-gamma 2.5 0
+	-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+	-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+	-dw 1.98e-9 203 1.47 2.644 6.81e-2
+#AmmH+ = Amm + H+
 NH4+ = NH3 + H+
-	-log_k	-9.252
-	-delta_h 12.48	kcal
-	-analytic  0.6322  -0.001225  -2835.76
-	-dw	 2.28e-9
-	-Vm   6.69  2.8  3.58  -2.88  1.43
-	-viscosity  0.08  0  0  7.82e-3  -0.134  -0.986
-#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O
-#	-log_k	119.077
-#	-delta_h -187.055	kcal
-#	-gamma	2.5	0
-#	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
+	-log_k -9.252
+	-delta_h 12.48 kcal
+	-analytic 0.6322 -0.001225 -2835.76
+	-Vm 6.69 2.8 3.58 -2.88 1.43
+	-viscosity 0.08 0 0 7.82e-3 -0.134 -0.986
+	-dw 2.28e-9
 #AmmH+ + SO4-2 = AmmHSO4-
 NH4+ + SO4-2 = NH4SO4-
-        -log_k  1.11;  -delta_h  13.2 kcal
-        -gamma  5  -0.163
-        -Vm  13.56  0  -31.15  0  0  0  11.20  0  -0.1287  1
-        -dw  1.1e-9  400  1.85  200
-        -viscosity  0.262  0  0  9.49e-2  3.81e-2  0.438  0.507
+	-gamma 6.54 -0.08
+	-log_k 1.106;	-delta_h 4.3 kcal
+	-Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339
+	-viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748
+	-dw 1.35e-9 500 12.5 3 -1
 H3BO3 = H2BO3- + H+
-	-log_k	-9.24
-	-delta_h 3.224	kcal
+	-log_k -9.24
+	-delta_h 3.224 kcal
 H3BO3 + F- = BF(OH)3-
-	-log_k	-0.4
-	-delta_h 1.850	kcal
+	-log_k -0.4
+	-delta_h 1.85 kcal
 H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
-	-log_k	7.63
-	-delta_h 1.618	kcal
+	-log_k 7.63
+	-delta_h 1.618 kcal
 H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
-	-log_k	13.67
-	-delta_h -1.614	kcal
+	-log_k 13.67
+	-delta_h -1.614 kcal
 H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
-	-log_k	20.28
-	-delta_h -1.846	kcal
+	-log_k 20.28
+	-delta_h -1.846 kcal
 PO4-3 + H+ = HPO4-2
-	-log_k	12.346
-	-delta_h -3.530	kcal
-	-gamma	5.0	0
-	-dw	0.69e-9
-	-Vm   3.52  1.09  8.39  -2.82  3.34  0  0  0  0  1
+	-log_k 12.346
+	-delta_h -3.53 kcal
+	-gamma 5 0
+	-dw 0.69e-9
+	-Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1
 PO4-3 + 2 H+ = H2PO4-
-	-log_k	19.553
-	-delta_h -4.520	kcal
-	-gamma	5.4	0
-	-dw	 0.846e-9
-	-Vm   5.58  8.06  12.2  -3.11  1.3  0  0  0  1.62e-2  1
-PO4-3 + 3H+ = H3PO4
-	log_k	21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
-	delta_h	-10.1	kJ
-	-Vm   7.47  12.4  6.29  -3.29  0
+	-log_k 19.553
+	-delta_h -4.52 kcal
+	-gamma 5.4 0
+	-Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1
+	-dw 0.846e-9
+PO4-3 + 3 H+ = H3PO4
+	log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
+	delta_h -10.1 kJ
+	-Vm 7.47 12.4 6.29 -3.29 0
 H+ + F- = HF
-	-log_k	3.18
-	-delta_h 3.18	kcal
-	-analytic	-2.033	0.012645	429.01
-	-Vm  3.4753  .7042  5.4732  -2.8081  -.0007 # supcrt
+	-log_k 3.18
+	-delta_h 3.18 kcal
+	-analytic -2.033 0.012645 429.01
+	-Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt
 H+ + 2 F- = HF2-
-	-log_k	3.76
-	-delta_h 4.550	kcal
-	-Vm  5.2263  4.9797  3.7928  -2.9849  1.2934 # supcrt
+	-log_k 3.76
+	-delta_h 4.55 kcal
+	-Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt
 Ca+2 + H2O = CaOH+ + H+
-	-log_k	-12.78
+	-log_k -12.78
 Ca+2 + CO3-2 = CaCO3
-	-log_k	3.224
-	-delta_h 3.545	kcal
-	-analytic	-1228.732	-0.299440	35512.75	485.818
-	-dw 4.46e-10	# complexes: calc'd with the Pikal formula
-	-Vm  -.2430  -8.3748  9.0417  -2.4328  -.0300 # supcrt
+	-log_k 3.224; -delta_h 3.545 kcal
+	-analytic -1228.732 -0.29944 35512.75 485.818
+	-dw 4.46e-10 # complexes: calc'd with the Pikal formula
+	-Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt
 Ca+2 + CO3-2 + H+ = CaHCO3+
-	-log_k	11.435
-	-delta_h -0.871	kcal
-	-analytic	1317.0071	0.34546894	-39916.84	-517.70761	563713.9
-	-gamma	6.0	0
+	-log_k 10.91; -delta_h 4.38 kcal
+	-analytic -6.009 3.377e-2 2044
+	-gamma 6 0
+	-Vm 30.19 .01 5.75 -2.78 .308 5.4
 	-dw 5.06e-10
-	-Vm  3.1911  .0104  5.7459  -2.7794  .3084 5.4 # supcrt
 Ca+2 + SO4-2 = CaSO4
-	-log_k	2.25
-	-delta_h 1.325	kcal
+	-log_k 2.25
+	-delta_h 1.325 kcal
 	-dw 4.71e-10
-	-Vm  2.7910  -.9666  6.1300  -2.7390  -.0010 # supcrt
+	-Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt
 Ca+2 + HSO4- = CaHSO4+
-	-log_k	  1.08
+	-log_k 1.08
 Ca+2 + PO4-3 = CaPO4-
-	-log_k	6.459
-	-delta_h 3.10	kcal
-	-gamma  5.4  0.0 
+	-log_k 6.459
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
 Ca+2 + HPO4-2 = CaHPO4
-	-log_k	2.739
+	-log_k 2.739
 	-delta_h 3.3 kcal
 Ca+2 + H2PO4- = CaH2PO4+
-	-log_k	1.408
+	-log_k 1.408
 	-delta_h 3.4 kcal
-	-gamma  5.4  0.0 
+	-gamma 5.4 0
 # Ca+2 + F- = CaF+
 	# -log_k	0.94
 	# -delta_h 4.120	kcal
-	# -gamma  5.5  0.0 
-	# -Vm  .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
+	# -gamma	5.5  0.0
+	# -Vm   .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
 Mg+2 + H2O = MgOH+ + H+
-	-log_k	-11.44
+	-log_k -11.44
 	-delta_h 15.952 kcal
-	-gamma	6.5	0
+	-gamma 6.5 0
 Mg+2 + CO3-2 = MgCO3
-	-log_k	2.98
-	-delta_h 2.713	kcal
-	-analytic	0.9910	0.00667
+	-log_k 2.98
+	-delta_h 2.713 kcal
+	-analytic 0.991 0.00667
+	-Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt
 	-dw 4.21e-10
-	-Vm  -.5837  -9.2067  9.3687  -2.3984  -.0300 # supcrt
 Mg+2 + H+ + CO3-2 = MgHCO3+
-	-log_k	11.399
+	-log_k 11.399
 	-delta_h -2.771 kcal
-	-analytic	48.6721	0.03252849	-2614.335	-18.00263	563713.9
-	-gamma	4.0	0
+	-analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
+	-gamma 4 0
+	-Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt
 	-dw 4.78e-10
-	-Vm  2.7171  -1.1469  6.2008  -2.7316  .5985 4 # supcrt
 Mg+2 + SO4-2 = MgSO4
-        -log_k  2.42; -delta_h  19.0 kJ
-        -analytical_expression  0  9.64e-3  -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
-        -gamma  0  0.20
-        -Vm  13.18  -25.67  -21.23  0  0.800  0  0  0  0  0
-        -dw 4.45e-10
-        -viscosity  -0.590  0.768  -3.8e-4  0.283  1.1e-3  1.09  0
+	-gamma 0 0.2
+	-log_k 2.42; -delta_h 19 kJ
+	-analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm 8.65 -10.21 29.58 -18.6 1.061
+	-viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696
+	-dw 4.45e-10
 SO4-2 + MgSO4 = Mg(SO4)2-2
-        -log_k  0.52; -delta_h  -13.6 kJ
-        -analytical_expression  0  -1.51e-3  0  0  8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
-        -gamma  7  0.047
-        -Vm  12.725  -28.73  0.219  0  -0.264  0  23.44  0  0.213  5.1e-2
-        -Dw   1e-9  -2926  6.10e-2  -5.41
-        -viscosity  -0.162  9.6e-4  -4.65e-2  0.179  1.56e-2  1.66  0
+	-gamma 7 0.047
+	-log_k 0.52; -delta_h -13.6 kJ
+	-analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2
+	-viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3
+	-dw 0.845e-9 -200 8 0 0.965
 Mg+2 + PO4-3 = MgPO4-
-	-log_k	6.589
-	-delta_h 3.10	kcal
-	-gamma	5.4	0
+	-log_k 6.589
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
 Mg+2 + HPO4-2 = MgHPO4
-	-log_k	2.87
+	-log_k 2.87
 	-delta_h 3.3 kcal
 Mg+2 + H2PO4- = MgH2PO4+
-	-log_k	1.513
+	-log_k 1.513
 	-delta_h 3.4 kcal
-	-gamma	5.4	0
+	-gamma 5.4 0
 Mg+2 + F- = MgF+
-	-log_k	1.82
-	-delta_h 3.20	kcal
-	-gamma	4.5	0
-	-Vm  .6494  -6.1958  8.1852  -2.5229  .9706 4.5 # supcrt
+	-log_k 1.82
+	-delta_h 3.2 kcal
+	-gamma 4.5 0
+	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
 Na+ + OH- = NaOH
-	-log_k	-10 # remove this complex
-# Na+ + CO3-2 = NaCO3- # the CO3-2 cmplx is not necessary for the SC
-	# -log_k	1.27
-	# -delta_h 8.91 kcal
-	# -dw  1.2e-9  -400  1e-10  1e-10
-	# -Vm  3.812  0.196  20.0  -9.60  3.02  1e-5  2.65  0  2.54e-2  1
-	# -viscosity  0.104  -1.65  0.169  8.66e-2  2.60e-2  1.76  -0.90
+	-log_k -10 # remove this complex
 Na+ + HCO3- = NaHCO3
-	-log_k  -0.18; -delta_h  27 kJ
-        -analytical_expression  0.1  -6.111e-3  -1600  2.794 # optimized with data in Appelo, 2015, Appl. Geochem. 55, 62–71.
-        -gamma  0  0.23
-	-dw  6.73e-10  -400  1e-10  1e-10
-	-Vm  9  -6
-	-viscosity  0  0  0  0.1  3e-2
+	-log_k -0.06; -delta_h 21 kJ
+	-gamma 0 0.2
+	-Vm 7.95 0 0 0 0.609
+	-viscosity -4e-2 -2.717 1.67e-5
+	-dw 6.73e-10
 Na+ + SO4-2 = NaSO4-
-        -log_k   0.6; -delta_h -14.4 kJ
-        -analytical_expression  -7.99  1.637e-2  0  0  3.29e5 # mirabilite/thenardite solubilities, 0 - 200 oC
-        -gamma 0 0
-        -Vm   9.993  -8.75  0  -2.95  2.59  0  8.40  0  -1.82e-2  0.672
-        -dw   1.183e-9  438  1e-10  1e-10
-        -viscosity  7.94e-2  6.96e-2  1.51e-2  7.62e-2  2.84e-2  1.74  0.120
+	-gamma 5.5 0
+	-log_k 0.6; -delta_h -14.4 kJ
+	-analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC
+	-Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325
+	-viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208
+	-dw 1.13e-9 -23 8.5 0.392 0.521
 Na+ + HPO4-2 = NaHPO4-
-	-log_k	0.29
-	-gamma	5.4	0
-	-Vm    5.2  8.1  13  -3  0.9  0  0  1.62e-2  1
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1
 Na+ + F- = NaF
-	-log_k	-0.24
-	-Vm  2.7483  -1.0708  6.1709  -2.7347  -.030 # supcrt
+	-log_k -0.24
+	-Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt
+K+ + HCO3- = KHCO3
+	-log_k -0.35;  -delta_h 12 kJ
+	-gamma 0 9.4e-3
+	-Vm 9.48 0 0 0 -0.542
+	-viscosity 0.7 -1.289 9e-2
 K+ + SO4-2 = KSO4-
-        -log_k   0.6; -delta_h -10.4 kJ
-        -analytical_expression  -4.022  8.217e-3  0  0  1.90e5 # arcanite solubility, 0 - 200 oC
-        -gamma  0  8.3e-3
-        -Vm  8.942  -5.05  -15.03  0  3.61  0  25.14  0  -5.06e-2  0.166
-        -dw  5.11e-10  1694  -0.587  -4.43
-        -viscosity  -2.71  3.09  6e-4  -0.629  9.38e-2  0.778  0.975
+	-gamma 5.4 0.19
+	-log_k 0.6; -delta_h -10.4 kJ
+	-analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC
+	-Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919
+	-viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69
+	-dw 0.9e-9 63 8.48 0 1.8
 K+ + HPO4-2 = KHPO4-
-	-log_k	0.29
-	-gamma	5.4	0
-	-Vm   5.4  8.1  19  -3.1  0.7  0  0  0  1.62e-2  1
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1
 Fe+2 + H2O = FeOH+ + H+
-	-log_k	-9.5
-	-delta_h 13.20	kcal
-	-gamma	5.0	0
-Fe+2 + 3H2O = Fe(OH)3- + 3H+ 
-	-log_k -31.0
+	-log_k -9.5
+	-delta_h 13.2 kcal
+	-gamma 5 0
+Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+	-log_k -31
 	-delta_h 30.3 kcal
-	-gamma  5.0 0
+	-gamma 5 0
 Fe+2 + Cl- = FeCl+
-	-log_k	0.14
+	-log_k 0.14
 Fe+2 + CO3-2 = FeCO3
-	-log_k	4.38
+	-log_k 4.38
 Fe+2 + HCO3- = FeHCO3+
-	-log_k	2.0
+	-log_k 2
 Fe+2 + SO4-2 = FeSO4
-	-log_k	2.25
-	-delta_h 3.230	kcal
-	-Vm   -13  0  123
+	-log_k 2.25
+	-delta_h 3.23 kcal
+	-Vm -13 0 123
 Fe+2 + HSO4- = FeHSO4+
-	-log_k	1.08
-Fe+2 + 2HS- = Fe(HS)2
-	-log_k	8.95
-Fe+2 + 3HS- = Fe(HS)3-
-	-log_k	10.987
+	-log_k 1.08
+Fe+2 + 2 HS- = Fe(HS)2
+	-log_k 8.95
+Fe+2 + 3 HS- = Fe(HS)3-
+	-log_k 10.987
 Fe+2 + HPO4-2 = FeHPO4
-	-log_k	3.6
+	-log_k 3.6
 Fe+2 + H2PO4- = FeH2PO4+
-	-log_k	2.7
-	-gamma	5.4	0
+	-log_k 2.7
+	-gamma 5.4 0
 Fe+2 + F- = FeF+
-	-log_k	1.0
+	-log_k 1
 Fe+2 = Fe+3 + e-
-	-log_k	-13.02
-	-delta_h 9.680	kcal
-	-gamma	9.0	0
+	-log_k -13.02
+	-delta_h 9.68 kcal
+	-gamma 9 0
 Fe+3 + H2O = FeOH+2 + H+
-	-log_k	-2.19
-	-delta_h 10.4	kcal
-	-gamma	5.0	0
+	-log_k -2.19
+	-delta_h 10.4 kcal
+	-gamma 5 0
 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
-	-log_k	-5.67
-	-delta_h 17.1	kcal
-	-gamma	5.4	0
+	-log_k -5.67
+	-delta_h 17.1 kcal
+	-gamma 5.4 0
 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
-	-log_k	-12.56
-	-delta_h 24.8	kcal
+	-log_k -12.56
+	-delta_h 24.8 kcal
 Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
-	-log_k	-21.6
-	-delta_h 31.9	kcal
-	-gamma	5.4	0
-Fe+2 + 2H2O = Fe(OH)2 + 2H+ 
-	-log_k  -20.57
-	-delta_h 28.565 kcal  
+	-log_k -21.6
+	-delta_h 31.9 kcal
+	-gamma 5.4 0
+Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+	-log_k -20.57
+	-delta_h 28.565 kcal
 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
-	-log_k	-2.95
-	-delta_h 13.5	kcal
+	-log_k -2.95
+	-delta_h 13.5 kcal
 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
-	-log_k	-6.3
-	-delta_h 14.3	kcal
+	-log_k -6.3
+	-delta_h 14.3 kcal
 Fe+3 + Cl- = FeCl+2
-	-log_k	1.48
-	-delta_h 5.6	kcal
-	-gamma	5.0	0
+	-log_k 1.48
+	-delta_h 5.6 kcal
+	-gamma 5 0
 Fe+3 + 2 Cl- = FeCl2+
-	-log_k	2.13
-	-gamma	5.0	0
+	-log_k 2.13
+	-gamma 5 0
 Fe+3 + 3 Cl- = FeCl3
-	-log_k	1.13
+	-log_k 1.13
 Fe+3 + SO4-2 = FeSO4+
-	-log_k	4.04
-	-delta_h 3.91	kcal
-	-gamma	5.0	0
+	-log_k 4.04
+	-delta_h 3.91 kcal
+	-gamma 5 0
 Fe+3 + HSO4- = FeHSO4+2
-	-log_k	2.48
+	-log_k 2.48
 Fe+3 + 2 SO4-2 = Fe(SO4)2-
-	-log_k	5.38
-	-delta_h 4.60	kcal
+	-log_k 5.38
+	-delta_h 4.6 kcal
 Fe+3 + HPO4-2 = FeHPO4+
-	-log_k	5.43
-	-delta_h 5.76	kcal
-	-gamma	5.0	0
+	-log_k 5.43
+	-delta_h 5.76 kcal
+	-gamma 5 0
 Fe+3 + H2PO4- = FeH2PO4+2
-	-log_k	5.43
-	-gamma	5.4	0
+	-log_k 5.43
+	-gamma 5.4 0
 Fe+3 + F- = FeF+2
-	-log_k	6.2
-	-delta_h 2.7	kcal
-	-gamma	5.0	0
+	-log_k 6.2
+	-delta_h 2.7 kcal
+	-gamma 5 0
 Fe+3 + 2 F- = FeF2+
-	-log_k	10.8
-	-delta_h 4.8	kcal
-	-gamma	5.0	0
+	-log_k 10.8
+	-delta_h 4.8 kcal
+	-gamma 5 0
 Fe+3 + 3 F- = FeF3
-	-log_k	14.0
-	-delta_h 5.4	kcal
+	-log_k 14
+	-delta_h 5.4 kcal
 Mn+2 + H2O = MnOH+ + H+
-	-log_k	-10.59
-	-delta_h 14.40	kcal
-	-gamma	5.0	0
-Mn+2 + 3H2O = Mn(OH)3- + 3H+ 
-	-log_k  -34.8
-	-gamma	5.0	0
+	-log_k -10.59
+	-delta_h 14.4 kcal
+	-gamma 5 0
+Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+	-log_k -34.8
+	-gamma 5 0
 Mn+2 + Cl- = MnCl+
-	-log_k	0.61
-	-gamma	5.0	0
-	-Vm   7.25  -1.08  -25.8  -2.73  3.99  5  0  0  0  1
+	-log_k 0.61
+	-gamma 5 0
+	-Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1
 Mn+2 + 2 Cl- = MnCl2
-	-log_k	0.25
-	-Vm   1e-5  0  144
+	-log_k 0.25
+	-Vm 1e-5 0 144
 Mn+2 + 3 Cl- = MnCl3-
-	-log_k	-0.31
-	-gamma	5.0	0
-	-Vm   11.8  0  0  0  2.4  0  0  0  3.6e-2  1
+	-log_k -0.31
+	-gamma 5 0
+	-Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1
 Mn+2 + CO3-2 = MnCO3
-	-log_k	4.9
+	-log_k 4.9
 Mn+2 + HCO3- = MnHCO3+
-	-log_k	1.95
-	-gamma	5.0	0
+	-log_k 1.95
+	-gamma 5 0
 Mn+2 + SO4-2 = MnSO4
-	-log_k	2.25
-	-delta_h 3.370	kcal
-	-Vm  -1.31  -1.83  62.3  -2.7
+	-log_k 2.25
+	-delta_h 3.37 kcal
+	-Vm -1.31 -1.83 62.3 -2.7
 Mn+2 + 2 NO3- = Mn(NO3)2
-	-log_k	0.6
-	-delta_h -0.396	kcal
-	-Vm  6.16  0  29.4  0  0.9
+	-log_k 0.6
+	-delta_h -0.396 kcal
+	-Vm 6.16 0 29.4 0 0.9
 Mn+2 + F- = MnF+
-	-log_k	0.84
-	-gamma	5.0	0
+	-log_k 0.84
+	-gamma 5 0
 Mn+2 = Mn+3 + e-
-	-log_k	-25.51
-	-delta_h 25.80	kcal
-	-gamma	9.0	0
+	-log_k -25.51
+	-delta_h 25.8 kcal
+	-gamma 9 0
 Al+3 + H2O = AlOH+2 + H+
-	-log_k	-5.0
-	-delta_h 11.49	kcal
-	-analytic	-38.253	0.0	-656.27	14.327
-	-gamma	5.4	0
-	-Vm   -1.46  -11.4  10.2  -2.31  1.67  5.4  0  0  0  1  # Barta and Hepler, 1986, Can. J. Chem. 64, 353.
+	-log_k -5
+	-delta_h 11.49 kcal
+	-analytic -38.253 0 -656.27 14.327
+	-gamma 5.4 0
+	-Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353
 Al+3 + 2 H2O = Al(OH)2+ + 2 H+
-	-log_k	-10.1
-	-delta_h 26.90	kcal
-	-gamma	5.4	0
-	-analytic	88.50	0.0	-9391.6	-27.121
+	-log_k -10.1
+	-delta_h 26.9 kcal
+	-gamma 5.4 0
+	-analytic 88.5 0 -9391.6 -27.121
 Al+3 + 3 H2O = Al(OH)3 + 3 H+
-	-log_k	-16.9
-	-delta_h 39.89	kcal
-	-analytic	226.374	0.0	-18247.8	-73.597
+	-log_k -16.9
+	-delta_h 39.89 kcal
+	-analytic 226.374 0 -18247.8 -73.597
 Al+3 + 4 H2O = Al(OH)4- + 4 H+
-	-log_k	-22.7
-	-delta_h 42.30	kcal
-	-analytic	51.578	0.0	-11168.9	-14.865
-	-gamma	4.5	0
+	-log_k -22.7
+	-delta_h 42.3 kcal
+	-analytic 51.578 0 -11168.9 -14.865
+	-gamma 4.5 0
 	-dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959
 Al+3 + SO4-2 = AlSO4+
-	-log_k	3.5
+	-log_k 3.5
 	-delta_h 2.29 kcal
-	-gamma	4.5	0
-Al+3 + 2SO4-2 = Al(SO4)2-
-	-log_k	5.0
+	-gamma 4.5 0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+	-log_k 5
 	-delta_h 3.11 kcal
-	-gamma	4.5	0
+	-gamma 4.5 0
 Al+3 + HSO4- = AlHSO4+2
-	-log_k	0.46
+	-log_k 0.46
 Al+3 + F- = AlF+2
-	-log_k	7.0
-	-delta_h 1.060	kcal
-	-gamma	5.4	0
+	-log_k 7
+	-delta_h 1.06 kcal
+	-gamma 5.4 0
 Al+3 + 2 F- = AlF2+
-	-log_k	12.7
-	-delta_h 1.980	kcal
-	-gamma	5.4	0
+	-log_k 12.7
+	-delta_h 1.98 kcal
+	-gamma 5.4 0
 Al+3 + 3 F- = AlF3
-	-log_k	16.8
-	-delta_h 2.160	kcal
+	-log_k 16.8
+	-delta_h 2.16 kcal
 Al+3 + 4 F- = AlF4-
-	-log_k	19.4
-	-delta_h 2.20	kcal
-	-gamma	4.5	0
+	-log_k 19.4
+	-delta_h 2.2 kcal
+	-gamma 4.5 0
 # Al+3 + 5 F- = AlF5-2
-	# log_k	20.6
-	# delta_h 1.840	kcal
+	# log_k 20.6
+	# delta_h 1.840 kcal
 # Al+3 + 6 F- = AlF6-3
-	# log_k	20.6
+	# log_k 20.6
 	# delta_h -1.670	kcal
 H4SiO4 = H3SiO4- + H+
-	-log_k	-9.83
-	-delta_h 6.12	kcal
-	-analytic	-302.3724	-0.050698	15669.69	108.18466	-1119669.0
-	-gamma	4	0
-	-Vm  7.94  1.0881  5.3224  -2.8240  1.4767 # supcrt + H2O in a1
+	-log_k -9.83
+	-delta_h 6.12 kcal
+	-analytic -302.3724 -0.050698 15669.69 108.18466 -1119669
+	-gamma 4 0
+	-Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1
 H4SiO4 = H2SiO4-2 + 2 H+
-	-log_k	-23.0
-	-delta_h 17.6	kcal
-	-analytic	-294.0184	-0.072650	11204.49	108.18466	-1119669.0
-	-gamma	5.4	0
+	-log_k -23
+	-delta_h 17.6 kcal
+	-analytic -294.0184 -0.07265 11204.49 108.18466 -1119669
+	-gamma 5.4 0
 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
-	-log_k	30.18
-	-delta_h -16.260	kcal
-	-gamma	5.0	0
-	-Vm  8.5311  13.0492  .6211  -3.3185  2.7716 # supcrt
+	-log_k 30.18
+	-delta_h -16.26 kcal
+	-gamma 5 0
+	-Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt
 Ba+2 + H2O = BaOH+ + H+
-	-log_k	-13.47
-	-gamma	5.0	0
+	-log_k -13.47
+	-gamma 5 0
 Ba+2 + CO3-2 = BaCO3
-	-log_k	2.71
-	-delta_h 3.55	kcal
-	-analytic	0.113	0.008721
-	-Vm  .2907  -7.0717  8.5295  -2.4867  -.0300 # supcrt
+	-log_k 2.71
+	-delta_h 3.55 kcal
+	-analytic 0.113 0.008721
+	-Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt
 Ba+2 + HCO3- = BaHCO3+
-	-log_k	0.982
+	-log_k 0.982
 	-delta_h 5.56 kcal
-	-analytic	-3.0938	0.013669
+	-analytic -3.0938 0.013669
 Ba+2 + SO4-2 = BaSO4
-	-log_k	2.7
+	-log_k 2.7
 Sr+2 + H2O = SrOH+ + H+
-	-log_k	-13.29
-	-gamma	5.0	0
+	-log_k -13.29
+	-gamma 5 0
 Sr+2 + CO3-2 + H+ = SrHCO3+
-	-log_k	11.509
-	-delta_h 2.489	kcal
-	-analytic	104.6391	0.04739549	-5151.79	-38.92561	563713.9
-	-gamma	5.4	0
+	-log_k 11.509
+	-delta_h 2.489 kcal
+	-analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
 Sr+2 + CO3-2 = SrCO3
-	-log_k	2.81
-	-delta_h 5.22	kcal
-	-analytic	-1.019	0.012826
-	-Vm  -.1787  -8.2177  8.9799  -2.4393  -.0300 # supcrt
+	-log_k 2.81
+	-delta_h 5.22 kcal
+	-analytic -1.019 0.012826
+	-Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt
 Sr+2 + SO4-2 = SrSO4
-	-log_k	2.29
-	-delta_h 2.08	kcal
-	-Vm  6.7910  -.9666  6.1300  -2.7390  -.0010 # celestite solubility
+	-log_k 2.29
+	-delta_h 2.08 kcal
+	-Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility
 Li+ + SO4-2 = LiSO4-
-	-log_k	0.64
-	-gamma	5.0	0
+	-log_k 0.64
+	-gamma 5 0
 Cu+2 + e- = Cu+
-	-log_k	2.72
-	-delta_h 1.65	kcal
-	-gamma	2.5	0
-Cu+ + 2Cl- = CuCl2-
-	-log_k	  5.50
+	-log_k 2.72
+	-delta_h 1.65 kcal
+	-gamma 2.5 0
+Cu+ + 2 Cl- = CuCl2-
+	-log_k 5.5
 	-delta_h -0.42 kcal
-	-gamma  4.0  0
-Cu+ + 3Cl- = CuCl3-2
-	-log_k	  5.70
+	-gamma 4 0
+Cu+ + 3 Cl- = CuCl3-2
+	-log_k 5.7
 	-delta_h 0.26 kcal
-	-gamma  5.0  0.0  
-Cu+2 + CO3-2 = CuCO3 
-	-log_k	  6.73
-Cu+2 + 2CO3-2 = Cu(CO3)2-2 
-	-log_k	  9.83
+	-gamma 5 0
+Cu+2 + CO3-2 = CuCO3
+	-log_k 6.73
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+	-log_k 9.83
 Cu+2 + HCO3- = CuHCO3+
-	-log_k	  2.7	
-Cu+2 + Cl- = CuCl+ 
-	-log_k	  0.43
+	-log_k 2.7
+Cu+2 + Cl- = CuCl+
+	-log_k 0.43
 	-delta_h 8.65 kcal
-	-gamma  4.0  0
-	-Vm   -4.19  0  30.4  0  0  4  0  0  1.94e-2  1
-Cu+2 + 2Cl- = CuCl2 
-	-log_k	  0.16
+	-gamma 4 0
+	-Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1
+Cu+2 + 2 Cl- = CuCl2
+	-log_k 0.16
 	-delta_h 10.56 kcal
-	-Vm   26.8  0  -136
-Cu+2 + 3Cl- = CuCl3-
-	-log_k	  -2.29
+	-Vm 26.8 0 -136
+Cu+2 + 3 Cl- = CuCl3-
+	-log_k -2.29
 	-delta_h 13.69 kcal
-	-gamma  4.0  0
-Cu+2 + 4Cl- = CuCl4-2
-	-log_k	  -4.59
+	-gamma 4 0
+Cu+2 + 4 Cl- = CuCl4-2
+	-log_k -4.59
 	-delta_h 17.78 kcal
-	-gamma  5.0  0
-Cu+2 + F- = CuF+ 
-	-log_k	  1.26
+	-gamma 5 0
+Cu+2 + F- = CuF+
+	-log_k 1.26
 	-delta_h 1.62 kcal
 Cu+2 + H2O = CuOH+ + H+
-	-log_k	-8.0
-	-gamma	4.0	0
+	-log_k -8
+	-gamma 4 0
 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
-	-log_k	-13.68
+	-log_k -13.68
 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
-	-log_k	-26.9
+	-log_k -26.9
 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
-	-log_k	-39.6
-2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ 
-	-log_k  -10.359
+	-log_k -39.6
+2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+	-log_k -10.359
 	-delta_h 17.539 kcal
-	-analytical  2.497  0.0  -3833.0
+	-analytical 2.497 0 -3833
 Cu+2 + SO4-2 = CuSO4
-	-log_k	2.31
-	-delta_h 1.220	kcal
-	-Vm   5.21  0  -14.6
-Cu+2 + 3HS- = Cu(HS)3-
-	-log_k  25.9
+	-log_k 2.31
+	-delta_h 1.22 kcal
+	-Vm 5.21 0 -14.6
+Cu+2 + 3 HS- = Cu(HS)3-
+	-log_k 25.9
 Zn+2 + H2O = ZnOH+ + H+
-	-log_k	-8.96
+	-log_k -8.96
 	-delta_h 13.4 kcal
 Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
-	-log_k	-16.9
+	-log_k -16.9
 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
-	-log_k	-28.4
+	-log_k -28.4
 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
-	-log_k	-41.2
+	-log_k -41.2
 Zn+2 + Cl- = ZnCl+
-	-log_k	0.43
+	-log_k 0.43
 	-delta_h 7.79 kcal
-	-gamma  4.0  0
-	-Vm   14.8  -3.91  -105.7  -2.62  0.203  4  0  0  -5.05e-2  1
+	-gamma 4 0
+	-Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1
 Zn+2 + 2 Cl- = ZnCl2
-	-log_k	0.45
+	-log_k 0.45
 	-delta_h 8.5 kcal
-	-Vm   -10.1  4.57  241  -2.97  -1e-3
-Zn+2 + 3Cl- = ZnCl3-
-	-log_k	0.5
+	-Vm -10.1 4.57 241 -2.97 -1e-3
+Zn+2 + 3 Cl- = ZnCl3-
+	-log_k 0.5
 	-delta_h 9.56 kcal
-	-gamma  4.0  0
-	-Vm   0.772  15.5  -0.349  -3.42  1.25  0  -7.77  0  0  1 
-Zn+2 + 4Cl- = ZnCl4-2
-	-log_k	0.2
+	-gamma 4 0
+	-Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1
+Zn+2 + 4 Cl- = ZnCl4-2
+	-log_k 0.2
 	-delta_h 10.96 kcal
-	-gamma  5.0  0
-	-Vm   28.42  28  -5.26  -3.94  2.67  0  0  0  4.62e-2 1
-Zn+2 + H2O + Cl- = ZnOHCl + H+ 
-	-log_k  -7.48  
-Zn+2 + 2HS- = Zn(HS)2
-	-log_k  14.94
-Zn+2 + 3HS- = Zn(HS)3-
-	-log_k  16.1  
+	-gamma 5 0
+	-Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1
+Zn+2 + H2O + Cl- = ZnOHCl + H+
+	-log_k -7.48
+Zn+2 + 2 HS- = Zn(HS)2
+	-log_k 14.94
+Zn+2 + 3 HS- = Zn(HS)3-
+	-log_k 16.1
 Zn+2 + CO3-2 = ZnCO3
-	-log_k	5.3
-Zn+2 + 2CO3-2 = Zn(CO3)2-2
-	-log_k	9.63
+	-log_k 5.3
+Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+	-log_k 9.63
 Zn+2 + HCO3- = ZnHCO3+
-	-log_k	2.1
+	-log_k 2.1
 Zn+2 + SO4-2 = ZnSO4
-	-log_k	2.37
+	-log_k 2.37
 	-delta_h 1.36 kcal
-	-Vm   2.51  0  18.8
-Zn+2 + 2SO4-2 = Zn(SO4)2-2
-	-log_k	3.28
-	-Vm    10.9  0  -98.7  0  0  0  24  0 -0.236  1
-Zn+2 + Br- = ZnBr+ 
-	-log_k  -0.58
-Zn+2 + 2Br- = ZnBr2
-	-log_k  -0.98	
-Zn+2 + F- = ZnF+ 
-	-log_k  1.15
+	-Vm 2.51 0 18.8
+Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+	-log_k 3.28
+	-Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1
+Zn+2 + Br- = ZnBr+
+	-log_k -0.58
+Zn+2 + 2 Br- = ZnBr2
+	-log_k -0.98
+Zn+2 + F- = ZnF+
+	-log_k 1.15
 	-delta_h 2.22 kcal
 Cd+2 + H2O = CdOH+ + H+
-	-log_k	-10.08
+	-log_k -10.08
 	-delta_h 13.1 kcal
 Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
-	-log_k	-20.35
+	-log_k -20.35
 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
-	-log_k	-33.3
+	-log_k -33.3
 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
-	-log_k	-47.35
-2Cd+2 + H2O = Cd2OH+3 + H+ 
-	-log_k  -9.39
+	-log_k -47.35
+2 Cd+2 + H2O = Cd2OH+3 + H+
+	-log_k -9.39
 	-delta_h 10.9 kcal
-Cd+2 + H2O + Cl- = CdOHCl + H+ 
-	-log_k  -7.404
+Cd+2 + H2O + Cl- = CdOHCl + H+
+	-log_k -7.404
 	-delta_h 4.355 kcal
 Cd+2 + NO3- = CdNO3+
-	-log_k  0.4
+	-log_k 0.4
 	-delta_h -5.2 kcal
-	-Vm   5.95  0  -1.11  0  2.67  7  0  0  1.53e-2  1
+	-Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1
 Cd+2 + Cl- = CdCl+
-	-log_k	1.98
+	-log_k 1.98
 	-delta_h 0.59 kcal
-	-Vm   5.69  0  -30.2  0  0  6  0  0  0.112  1
+	-Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1
 Cd+2 + 2 Cl- = CdCl2
-	-log_k	2.6
+	-log_k 2.6
 	-delta_h 1.24 kcal
-	-Vm   5.53
+	-Vm 5.53
 Cd+2 + 3 Cl- = CdCl3-
-	-log_k	2.4
+	-log_k 2.4
 	-delta_h 3.9 kcal
-	-Vm   4.6  0  83.9  0  0  0  0  0  0  1
+	-Vm 4.6 0 83.9 0 0 0 0 0 0 1
 Cd+2 + CO3-2 = CdCO3
-	-log_k	2.9
-Cd+2 + 2CO3-2 = Cd(CO3)2-2
-	-log_k	6.4
+	-log_k 2.9
+Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+	-log_k 6.4
 Cd+2 + HCO3- = CdHCO3+
-	-log_k	1.5
+	-log_k 1.5
 Cd+2 + SO4-2 = CdSO4
-	-log_k	2.46
+	-log_k 2.46
 	-delta_h 1.08 kcal
-	-Vm   10.4  0  57.9
-Cd+2 + 2SO4-2 = Cd(SO4)2-2
-	-log_k	3.5
-	-Vm   -6.29  0  -93  0  9.5  7  0  0  0  1
-Cd+2 + Br- = CdBr+ 
-	-log_k  2.17
+	-Vm 10.4 0 57.9
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+	-log_k 3.5
+	-Vm -6.29 0 -93 0 9.5 7 0 0 0 1
+Cd+2 + Br- = CdBr+
+	-log_k 2.17
 	-delta_h -0.81 kcal
-Cd+2 + 2Br- = CdBr2
-	-log_k  2.9
-Cd+2 + F- = CdF+ 
-	-log_k  1.1
-Cd+2 + 2F- = CdF2
-	-log_k  1.5  
-Cd+2 + HS- = CdHS+ 
-	-log_k  10.17
-Cd+2 + 2HS- = Cd(HS)2 
-	-log_k  16.53
-Cd+2 + 3HS- = Cd(HS)3-
-	-log_k  18.71
-Cd+2 + 4HS- = Cd(HS)4-2
-	-log_k  20.9  
+Cd+2 + 2 Br- = CdBr2
+	-log_k 2.9
+Cd+2 + F- = CdF+
+	-log_k 1.1
+Cd+2 + 2 F- = CdF2
+	-log_k 1.5
+Cd+2 + HS- = CdHS+
+	-log_k 10.17
+Cd+2 + 2 HS- = Cd(HS)2
+	-log_k 16.53
+Cd+2 + 3 HS- = Cd(HS)3-
+	-log_k 18.71
+Cd+2 + 4 HS- = Cd(HS)4-2
+	-log_k 20.9
 Pb+2 + H2O = PbOH+ + H+
-	-log_k	-7.71
+	-log_k -7.71
 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
-	-log_k	-17.12
+	-log_k -17.12
 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
-	-log_k	-28.06
+	-log_k -28.06
 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
-	-log_k	-39.7
+	-log_k -39.7
 2 Pb+2 + H2O = Pb2OH+3 + H+
-	-log_k	-6.36
+	-log_k -6.36
 Pb+2 + Cl- = PbCl+
-	-log_k	1.6
+	-log_k 1.6
 	-delta_h 4.38 kcal
-	-Vm  2.8934  -.7165  6.0316  -2.7494  .1281 6 # supcrt
+	-Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt
 Pb+2 + 2 Cl- = PbCl2
-	-log_k	1.8
+	-log_k 1.8
 	-delta_h 1.08 kcal
-	-Vm  6.5402  8.1879  2.5318  -3.1175  -.0300 # supcrt
+	-Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt
 Pb+2 + 3 Cl- = PbCl3-
-	-log_k	1.7
+	-log_k 1.7
 	-delta_h 2.17 kcal
-	-Vm  11.0396  19.1743  -1.7863  -3.5717  .7356 # supcrt
+	-Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt
 Pb+2 + 4 Cl- = PbCl4-2
-	-log_k	1.38
+	-log_k 1.38
 	-delta_h 3.53 kcal
-	-Vm  16.4150  32.2997  -6.9452  -4.1143  2.3118 # supcrt
+	-Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt
 Pb+2 + CO3-2 = PbCO3
-	-log_k	7.24
+	-log_k 7.24
 Pb+2 + 2 CO3-2 = Pb(CO3)2-2
-	-log_k	10.64
+	-log_k 10.64
 Pb+2 + HCO3- = PbHCO3+
-	-log_k	2.9
+	-log_k 2.9
 Pb+2 + SO4-2 = PbSO4
-	-log_k	2.75
+	-log_k 2.75
 Pb+2 + 2 SO4-2 = Pb(SO4)2-2
-	-log_k	3.47
-Pb+2 + 2HS- = Pb(HS)2 
-	-log_k  15.27
-Pb+2 + 3HS- = Pb(HS)3-
-	-log_k  16.57
-3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ 
-	-log_k  -23.88
-	-delta_h 26.5 kcal  
+	-log_k 3.47
+Pb+2 + 2 HS- = Pb(HS)2
+	-log_k 15.27
+Pb+2 + 3 HS- = Pb(HS)3-
+	-log_k 16.57
+3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+	-log_k -23.88
+	-delta_h 26.5 kcal
 Pb+2 + NO3- = PbNO3+
-	-log_k	1.17
-Pb+2 + Br- = PbBr+ 
-	-log_k  1.77
+	-log_k 1.17
+Pb+2 + Br- = PbBr+
+	-log_k 1.77
 	-delta_h 2.88 kcal
-Pb+2 + 2Br- = PbBr2 
-	-log_k  1.44	
-Pb+2 + F- = PbF+ 
-	-log_k  1.25
-Pb+2 + 2F- = PbF2
-	-log_k  2.56
-Pb+2 + 3F- = PbF3-
-	-log_k  3.42
-Pb+2 + 4F- = PbF4-2
-	-log_k  3.1  
+Pb+2 + 2 Br- = PbBr2
+	-log_k 1.44
+Pb+2 + F- = PbF+
+	-log_k 1.25
+Pb+2 + 2 F- = PbF2
+	-log_k 2.56
+Pb+2 + 3 F- = PbF3-
+	-log_k 3.42
+Pb+2 + 4 F- = PbF4-2
+	-log_k 3.1
 
 PHASES
 Calcite
 	CaCO3 = CO3-2 + Ca+2
-	-log_k	-8.48
+	-log_k -8.48
 	-delta_h -2.297 kcal
-	-analytic 17.118  -0.046528  -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
+	-analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
 	-Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
 Aragonite
 	CaCO3 = CO3-2 + Ca+2
-	-log_k	-8.336
+	-log_k -8.336
 	-delta_h -2.589 kcal
-	-analytic	-171.9773	-0.077993	2903.293	71.595
+	-analytic -171.9773 -0.077993 2903.293 71.595
 	-Vm 34.04
 Dolomite
 	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
-	-log_k	-17.09
-	-delta_h  -9.436 kcal
-	-analytic  31.283  -0.0898  -6438 #  25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275.
+	-log_k -17.09
+	-delta_h -9.436 kcal
+	-analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275
 	-Vm 64.5
 Siderite
 	FeCO3 = Fe+2 + CO3-2
-	-log_k	-10.89
-	-delta_h  -2.480 kcal
+	-log_k -10.89
+	-delta_h -2.48 kcal
 	-Vm 29.2
 Rhodochrosite
 	MnCO3 = Mn+2 + CO3-2
-	-log_k	-11.13
-	-delta_h  -1.430 kcal
+	-log_k -11.13
+	-delta_h -1.43 kcal
 	-Vm 31.1
 Strontianite
 	SrCO3 = Sr+2 + CO3-2
-	-log_k	-9.271
-	-delta_h -0.400 kcal
-	-analytic	155.0305	0.0	-7239.594	-56.58638
+	-log_k -9.271
+	-delta_h -0.4 kcal
+	-analytic 155.0305 0 -7239.594 -56.58638
 	-Vm 39.69
 Witherite
 	BaCO3 = Ba+2 + CO3-2
-	-log_k	-8.562
-	-delta_h  0.703 kcal
-	-analytic	607.642	0.121098	-20011.25	-236.4948
+	-log_k -8.562
+	-delta_h 0.703 kcal
+	-analytic 607.642 0.121098 -20011.25 -236.4948
 	-Vm 46
 Gypsum
 	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
-	-log_k	-4.58
+	-log_k -4.58
 	-delta_h -0.109 kcal
-	-analytic	68.2401	0.0	-3221.51	-25.0627
-	-analytical_expression  93.7  5.99E-03  -4e3  -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
-	-Vm 73.9 # 172.18 / 2.33  (Vm H2O = 13.9 cm3/mol)
+	-analytic 68.2401 0 -3221.51 -25.0627
+	-analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
+	-Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol)
 Anhydrite
 	CaSO4 = Ca+2 + SO4-2
-	-log_k	-4.36
-	-delta_h -1.710 kcal
-	-analytic  84.90  0  -3135.12  -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
+	-log_k -4.36
+	-delta_h -1.71 kcal
+	-analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323
 	-Vm 46.1 # 136.14 / 2.95
 Celestite
 	SrSO4 = Sr+2 + SO4-2
-	-log_k	-6.63
+	-log_k -6.63
 	-delta_h -4.037 kcal
-#	-analytic	-14805.9622	-2.4660924	756968.533	5436.3588	-40553604.0
-	-analytic  -7.14 6.11e-3  75 0 0 -1.79e-5  # Howell et al., 1992, JCED 37, 464.
+#	  -analytic	  -14805.9622	-2.4660924	 756968.533	 5436.3588	  -40553604.0
+	-analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464
 	-Vm 46.4
 Barite
 	BaSO4 = Ba+2 + SO4-2
-	-log_k	-9.97
-	-delta_h  6.35 kcal
-	-analytical_expression  -282.43  -8.972e-2  5822  113.08 # Blount 1977; Templeton, 1960
+	-log_k -9.97
+	-delta_h 6.35 kcal
+	-analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960
 	-Vm 52.9
 Arcanite
-	K2SO4  =  SO4-2 + 2 K+
-	log_k   -1.776; -delta_h 5 kcal
-	-analytical_expression   674.142  0.30423  -18037  -280.236  0  -1.44055e-4 # ref. 3
+	K2SO4 = SO4-2 + 2 K+
+	log_k -1.776; -delta_h 5 kcal
+	-analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3
 	# Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
 	-Vm 65.5
 Mirabilite
-	Na2SO4:10H2O  =  SO4-2 + 2 Na+ + 10 H2O
-	-analytical_expression  -301.9326  -0.16232  0  141.078 # ref. 3
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	-analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3
 	Vm 216
 Thenardite
 	Na2SO4 = 2 Na+ + SO4-2
-	-analytical_expression  57.185  8.6024e-2  0  -30.8341  0  -7.6905e-5 # ref. 3
+	-analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3
 	-Vm 52.9
 Epsomite
-        MgSO4:7H2O  =  Mg+2 + SO4-2 + 7 H2O
-        log_k      -1.74; -delta_h 10.57 kJ
-        -analytical_expression  -3.59  6.21e-3
-        Vm 147
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+	log_k -1.74; -delta_h 10.57 kJ
+	-analytical_expression -3.59 6.21e-3
+	Vm 147
 Hexahydrite
-        MgSO4:6H2O  =  Mg+2 + SO4-2 + 6 H2O
-        log_k      -1.57; -delta_h 2.35 kJ
-        -analytical_expression  -1.978  1.38e-3
-        Vm 132
+	MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
+	log_k -1.57; -delta_h 2.35 kJ
+	-analytical_expression -1.978 1.38e-3
+	Vm 132
 Kieserite
-        MgSO4:H2O  =  Mg+2 + SO4-2 + H2O
-        log_k      -1.16; -delta_h 9.22 kJ
-        -analytical_expression  29.485  -5.07e-2  0  -2.662  -7.95e5
-        Vm 53.8
+	MgSO4:H2O = Mg+2 + SO4-2 + H2O
+	log_k -1.16; -delta_h 9.22 kJ
+	-analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5
+	Vm 53.8
 Hydroxyapatite
 	Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
-	-log_k	 -3.421
+	-log_k -3.421
 	-delta_h -36.155 kcal
 	-Vm 128.9
 Fluorite
 	CaF2 = Ca+2 + 2 F-
-	-log_k	-10.6
-	-delta_h   4.69 kcal
-	-analytic	66.348	0.0	-4298.2	-25.271
+	-log_k -10.6
+	-delta_h 4.69 kcal
+	-analytic 66.348 0 -4298.2 -25.271
 	-Vm 15.7
 SiO2(a)
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-2.71
-	-delta_h  3.340 kcal
-	-analytic	-0.26	0.0	-731.0
+	-log_k -2.71
+	-delta_h 3.34 kcal
+	-analytic -0.26 0 -731
 Chalcedony
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-3.55
-	-delta_h  4.720 kcal
-	-analytic	-0.09	0.0	-1032.0
+	-log_k -3.55
+	-delta_h 4.72 kcal
+	-analytic -0.09 0 -1032
 	-Vm 23.1
 Quartz
 	SiO2 + 2 H2O = H4SiO4
-	-log_k	-3.98
-	-delta_h  5.990 kcal
-	-analytic	0.41	0.0	-1309.0
+	-log_k -3.98
+	-delta_h 5.99 kcal
+	-analytic 0.41 0 -1309
 	-Vm 22.67
 Gibbsite
 	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
-	-log_k	  8.11
-	-delta_h -22.800 kcal
+	-log_k 8.11
+	-delta_h -22.8 kcal
 	-Vm 32.22
 Al(OH)3(a)
 	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
-	-log_k	 10.8
-	-delta_h -26.500 kcal
+	-log_k 10.8
+	-delta_h -26.5 kcal
 Kaolinite
 	Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
-	-log_k	  7.435
-	-delta_h -35.300 kcal
+	-log_k 7.435
+	-delta_h -35.3 kcal
 	-Vm 99.35
 Albite
 	NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
-	-log_k	-18.002
+	-log_k -18.002
 	-delta_h 25.896 kcal
 	-Vm 101.31
 Anorthite
 	CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
-	-log_k	-19.714
-	-delta_h 11.580 kcal
+	-log_k -19.714
+	-delta_h 11.58 kcal
 	-Vm 105.05
 K-feldspar
 	KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
-	-log_k	-20.573
-	-delta_h 30.820	kcal
+	-log_k -20.573
+	-delta_h 30.82 kcal
 	-Vm 108.15
 K-mica
 	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
-	-log_k	12.703
+	-log_k 12.703
 	-delta_h -59.376 kcal
 Chlorite(14A)
-	Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
-	-log_k	68.38
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+	-log_k 68.38
 	-delta_h -151.494 kcal
 Ca-Montmorillonite
-	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
-	-log_k	-45.027
-	-delta_h 58.373	kcal
+	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+	-log_k -45.027
+	-delta_h 58.373 kcal
 	-Vm 156.16
 Talc
 	Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
-	-log_k	21.399
+	-log_k 21.399
 	-delta_h -46.352 kcal
 	-Vm 68.34
 Illite
-	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
-	-log_k	-40.267
+	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+	-log_k -40.267
 	-delta_h 54.684 kcal
 	-Vm 141.48
 Chrysotile
 	Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
-	-log_k	32.2
-	-delta_h -46.800 kcal
-	-analytic	13.248	0.0	10217.1	-6.1894
-	-Vm  106.5808  # 277.11/2.60
+	-log_k 32.2
+	-delta_h -46.8 kcal
+	-analytic 13.248 0 10217.1 -6.1894
+	-Vm 106.5808 # 277.11/2.60
 Sepiolite
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
-	-log_k	15.760
-	-delta_h -10.700 kcal
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 15.76
+	-delta_h -10.7 kcal
 	-Vm 143.765
 Sepiolite(d)
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
-	-log_k	18.66
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 18.66
 Hematite
 	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
-	-log_k	-4.008
+	-log_k -4.008
 	-delta_h -30.845 kcal
 	-Vm 30.39
 Goethite
 	FeOOH + 3 H+ = Fe+3 + 2 H2O
-	-log_k	-1.0
-	-delta_h	 -14.48 kcal
+	-log_k -1
+	-delta_h -14.48 kcal
 	-Vm 20.84
 Fe(OH)3(a)
 	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
-	-log_k	4.891
+	-log_k 4.891
 Pyrite
 	FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
-	-log_k	-18.479
-	-delta_h 11.300 kcal
+	-log_k -18.479
+	-delta_h 11.3 kcal
 	-Vm 23.48
 FeS(ppt)
 	FeS + H+ = Fe+2 + HS-
-	-log_k	-3.915
+	-log_k -3.915
 Mackinawite
 	FeS + H+ = Fe+2 + HS-
-	-log_k	-4.648
+	-log_k -4.648
 	-Vm 20.45
 Sulfur
-	S + 2H+ + 2e- = H2S
-	-log_k	4.882
+	S + 2 H+ + 2 e- = H2S
+	-log_k 4.882
 	-delta_h -9.5 kcal
 Vivianite
 	Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
-	-log_k	-36.0
-Pyrolusite	# H2O added for surface calc's
+	-log_k -36
+Pyrolusite # H2O added for surface calc's
 	MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
-	-log_k	41.38
-	-delta_h -65.110 kcal
+	-log_k 41.38
+	-delta_h -65.11 kcal
 Hausmannite
 	Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
-	-log_k	61.03
-	-delta_h -100.640 kcal
+	-log_k 61.03
+	-delta_h -100.64 kcal
 Manganite
 	MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
-	-log_k	25.34
+	-log_k 25.34
 Pyrochroite
 	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
-	-log_k	15.2
+	-log_k 15.2
 Halite
-	NaCl  =  Cl- + Na+
-	log_k	  1.570
-	-delta_h  1.37
+	NaCl = Cl- + Na+
+	log_k 1.57
+	-delta_h 1.37
 	#-analytic -713.4616   -.1201241   37302.21    262.4583    -2106915.
 	-Vm 27.1
 Sylvite
-	KCl  = K+ + Cl-
-	log_k	   0.900
-	-delta_h  8.5
-	# -analytic     3.984     0.0	 -919.55
+	KCl = K+ + Cl-
+	log_k 0.9
+	-delta_h 8.5
+	# -analytic	3.984	0.0   -919.55
 	Vm 37.5
 # Gases...
 CO2(g)
 	CO2 = CO2
-	-log_k	-1.468
+	-log_k -1.468
 	-delta_h -4.776 kcal
-	-analytic   10.5624  -2.3547e-2  -3972.8  0  5.8746e5  1.9194e-5
-	-T_c  304.2 # critical T, K
-	-P_c   72.86 # critical P, atm
+	-analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
+	-T_c 304.2 # critical T, K
+	-P_c 72.86 # critical P, atm
 	-Omega 0.225 # acentric factor
 H2O(g)
 	H2O = H2O
-	-log_k  1.506; delta_h -44.03 kJ
-	-T_c  647.3; -P_c  217.60; -Omega 0.344
-	-analytic   -16.5066 -2.0013E-3  2710.7  3.7646  0 2.24E-6
+	-log_k 1.506; delta_h -44.03 kJ
+	-T_c 647.3; -P_c 217.6; -Omega 0.344
+	-analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
 O2(g)
 	O2 = O2
-	-log_k   -2.8983
-	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
-	-T_c  154.6; -P_c   49.80; -Omega 0.021
+	-log_k -2.8983
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
 H2(g)
 	H2 = H2
-	-log_k	   -3.1050
-	-delta_h -4.184  kJ
-	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
-	-T_c  33.2; -P_c   12.80; -Omega -0.225
+	-log_k -3.105
+	-delta_h -4.184 kJ
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
 N2(g)
 	N2 = N2
-	-log_k		 -3.1864
-	-analytic -58.453 1.818e-3  3199  17.909 -27460
-	-T_c  126.2; -P_c   33.50; -Omega 0.039
+	-log_k -3.1864
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	-T_c 126.2; -P_c 33.5; -Omega 0.039
 H2S(g)
-	H2S  =  H+ + HS-
-	log_k	   -7.93
-	-delta_h   9.1
-	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
-	-T_c  373.2; -P_c  88.20; -Omega 0.1
+	H2S = H+ + HS-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
 CH4(g)
 	CH4 = CH4
 	-log_k -2.8
-	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
-	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
 #Amm(g)
 #	Amm = Amm
 NH3(g)
 	NH3 = NH3	
-	-log_k	   1.7966
-	-analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
-	-T_c  405.6; -P_c   111.3; -Omega 0.25
+	-log_k 1.7966
+	-analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192
+	-T_c 405.6; -P_c 111.3; -Omega 0.25
 # redox-uncoupled gases
 Oxg(g)
 	Oxg = Oxg
-	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
-	-T_c  154.6 ; -P_c   49.80 ; -Omega 0.021
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
 Hdg(g)
 	Hdg = Hdg
-	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
-	-T_c  33.2 ; -P_c   12.80 ; -Omega -0.225
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
 Ntg(g)
 	Ntg = Ntg
-	-analytic -58.453 1.81800e-3  3199  17.909 -27460
-	T_c  126.2 ; -P_c   33.50 ; -Omega 0.039
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	T_c 126.2; -P_c 33.5; -Omega 0.039
 Mtg(g)
 	Mtg = Mtg
 	-log_k -2.8
-	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
-	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
 H2Sg(g)
-	H2Sg  =  H+ + HSg-
-	log_k	   -7.93
-	-delta_h   9.1
-	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
-	-T_c  373.2 ; -P_c  88.20 ; -Omega 0.1
+	H2Sg = H+ + HSg-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
 Melanterite
 	FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
-	-log_k	-2.209
-	-delta_h 4.910	kcal
-	-analytic	1.447	-0.004153	0.0	0.0	-214949.0
+	-log_k -2.209
+	-delta_h 4.91 kcal
+	-analytic 1.447 -0.004153 0 0 -214949
 Alunite
-	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
-	-log_k	-1.4
-	-delta_h -50.250 kcal
+	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+	-log_k -1.4
+	-delta_h -50.25 kcal
 Jarosite-K
 	KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
-	-log_k	-9.21
-	-delta_h -31.280 kcal
+	-log_k -9.21
+	-delta_h -31.28 kcal
 Zn(OH)2(e)
 	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
-	-log_k	11.5
+	-log_k 11.5
 Smithsonite
 	ZnCO3 = Zn+2 + CO3-2
-	-log_k	-10.0
-	-delta_h -4.36	kcal
+	-log_k -10
+	-delta_h -4.36 kcal
 Sphalerite
 	ZnS + H+ = Zn+2 + HS-
-	-log_k	-11.618
-	-delta_h 8.250	kcal
-Willemite	289
-	Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
-	-log_k	15.33
-	-delta_h -33.37	kcal
+	-log_k -11.618
+	-delta_h 8.25 kcal
+Willemite 289
+	Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+	-log_k 15.33
+	-delta_h -33.37 kcal
 Cd(OH)2
 	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
-	-log_k	13.65
-Otavite	315
+	-log_k 13.65
+Otavite 315
 	CdCO3 = Cd+2 + CO3-2
-	-log_k	-12.1
-	-delta_h -0.019	kcal
-CdSiO3	328
-	CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
-	-log_k	9.06
-	-delta_h -16.63	kcal
-CdSO4	329
+	-log_k -12.1
+	-delta_h -0.019 kcal
+CdSiO3 328
+	CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+	-log_k 9.06
+	-delta_h -16.63 kcal
+CdSO4 329
 	CdSO4 = Cd+2 + SO4-2
-	-log_k	-0.1
-	-delta_h -14.74	kcal
-Cerussite	365
+	-log_k -0.1
+	-delta_h -14.74 kcal
+Cerussite 365
 	PbCO3 = Pb+2 + CO3-2
-	-log_k	-13.13
-	-delta_h 4.86	kcal
-Anglesite	384
+	-log_k -13.13
+	-delta_h 4.86 kcal
+Anglesite 384
 	PbSO4 = Pb+2 + SO4-2
-	-log_k	-7.79
-	-delta_h 2.15	kcal
-Pb(OH)2	389
-	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
-	-log_k	8.15
-	-delta_h -13.99	kcal
+	-log_k -7.79
+	-delta_h 2.15 kcal
+Pb(OH)2 389
+	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+	-log_k 8.15
+	-delta_h -13.99 kcal
 
 EXCHANGE_MASTER_SPECIES
-	X	X-
+	X X-
 EXCHANGE_SPECIES
 	X- = X-
-	-log_k	0.0
+	-log_k 0
 
 	Na+ + X- = NaX
-	-log_k	0.0
-	-gamma	4.08 0.082
+	-log_k 0
+	-gamma 4.08 0.082
 
 	K+ + X- = KX
-	-log_k	0.7
-	-gamma	3.5	0.015
-	-delta_h  -4.3	# Jardine & Sparks, 1984
+	-log_k 0.7
+	-gamma 3.5 0.015
+	-delta_h -4.3 # Jardine & Sparks, 1984
 
 	Li+ + X- = LiX
-	-log_k	-0.08
-	-gamma	6.0	0
-	-delta_h  1.4	# Merriam & Thomas, 1956
+	-log_k -0.08
+	-gamma 6 0
+	-delta_h 1.4 # Merriam & Thomas, 1956
 
 # !!!!!
-#	H+ + X- = HX
-#	-log_k	1.0
-#	-gamma	9.0	0
+#	  H+ + X- = HX
+#	  -log_k  1.0
+#	  -gamma  9.0	0
 
 #	AmmH+ + X- = AmmHX
 	NH4+ + X- = NH4X
-	-log_k	0.6
-	-gamma	2.5	0
-	-delta_h  -2.4	# Laudelout et al., 1968
+	-log_k 0.6
+	-gamma 2.5 0
+	-delta_h -2.4 # Laudelout et al., 1968
 
-	Ca+2 + 2X- = CaX2
-	-log_k	0.8
-	-gamma	5.0	0.165
-	-delta_h  7.2    # Van Bladel & Gheyl, 1980
+	Ca+2 + 2 X- = CaX2
+	-log_k 0.8
+	-gamma 5 0.165
+	-delta_h 7.2 # Van Bladel & Gheyl, 1980
 
-	Mg+2 + 2X- = MgX2
-	-log_k	0.6
-	-gamma	5.5	0.2
-	-delta_h  7.4	# Laudelout et al., 1968
+	Mg+2 + 2 X- = MgX2
+	-log_k 0.6
+	-gamma 5.5 0.2
+	-delta_h 7.4 # Laudelout et al., 1968
 
-	Sr+2 + 2X- = SrX2
-	-log_k	0.91
-	-gamma	5.26	0.121
-	-delta_h  5.5	# Laudelout et al., 1968
+	Sr+2 + 2 X- = SrX2
+	-log_k 0.91
+	-gamma 5.26 0.121
+	-delta_h 5.5 # Laudelout et al., 1968
 
-	Ba+2 + 2X- = BaX2
-	-log_k	0.91
-	-gamma	4.0  0.153
-	-delta_h  4.5	# Laudelout et al., 1968
+	Ba+2 + 2 X- = BaX2
+	-log_k 0.91
+	-gamma 4 0.153
+	-delta_h 4.5 # Laudelout et al., 1968
 
-	Mn+2 + 2X- = MnX2
-	-log_k	0.52
-	-gamma	6.0	0
+	Mn+2 + 2 X- = MnX2
+	-log_k 0.52
+	-gamma 6 0
 
-	Fe+2 + 2X- = FeX2
-	-log_k	0.44
-	-gamma	6.0	0
+	Fe+2 + 2 X- = FeX2
+	-log_k 0.44
+	-gamma 6 0
 
-	Cu+2 + 2X- = CuX2
-	-log_k	0.6
-	-gamma	6.0	0
+	Cu+2 + 2 X- = CuX2
+	-log_k 0.6
+	-gamma 6 0
 
-	Zn+2 + 2X- = ZnX2
-	-log_k	0.8
-	-gamma	5.0	0
+	Zn+2 + 2 X- = ZnX2
+	-log_k 0.8
+	-gamma 5 0
 
-	Cd+2 + 2X- = CdX2
-	-log_k	0.8
-	-gamma 0.0  0
+	Cd+2 + 2 X- = CdX2
+	-log_k 0.8
+	-gamma 0 0
 
-	Pb+2 + 2X- = PbX2
-	-log_k	1.05
-	-gamma 0.0  0
+	Pb+2 + 2 X- = PbX2
+	-log_k 1.05
+	-gamma 0 0
 
-	Al+3 + 3X- = AlX3
-	-log_k	0.41
-	-gamma	9.0	0
+	Al+3 + 3 X- = AlX3
+	-log_k 0.41
+	-gamma 9 0
 
-	AlOH+2 + 2X- = AlOHX2
-	-log_k	0.89
-	-gamma	0.0	0
+	AlOH+2 + 2 X- = AlOHX2
+	-log_k 0.89
+	-gamma 0 0
 
 SURFACE_MASTER_SPECIES
-	Hfo_s	Hfo_sOH
-	Hfo_w	Hfo_wOH
+	Hfo_s Hfo_sOH
+	Hfo_w Hfo_wOH
 SURFACE_SPECIES
 # All surface data from
 # Dzombak and Morel, 1990
@@ -1422,24 +1422,24 @@ SURFACE_SPECIES
 # strong binding site--Hfo_s,
 
 	Hfo_sOH = Hfo_sOH
-	-log_k	0
+	-log_k 0
 
-	Hfo_sOH	+ H+ = Hfo_sOH2+
-	-log_k	7.29	# = pKa1,int
+	Hfo_sOH + H+ = Hfo_sOH2+
+	-log_k 7.29 # = pKa1,int
 
 	Hfo_sOH = Hfo_sO- + H+
-	-log_k	-8.93	# = -pKa2,int
+	-log_k -8.93 # = -pKa2,int
 
 # weak binding site--Hfo_w
 
 	Hfo_wOH = Hfo_wOH
-	-log_k	0
+	-log_k 0
 
-	Hfo_wOH	+ H+ = Hfo_wOH2+
-	-log_k	7.29	# = pKa1,int
+	Hfo_wOH + H+ = Hfo_wOH2+
+	-log_k 7.29 # = pKa1,int
 
 	Hfo_wOH = Hfo_wO- + H+
-	-log_k	-8.93	# = -pKa2,int
+	-log_k -8.93 # = -pKa2,int
 ###############################################
 # CATIONS #
 ###############################################
@@ -1448,52 +1448,52 @@ SURFACE_SPECIES
 #
 # Calcium
 	Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-	-log_k	4.97
+	-log_k 4.97
 
 	Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
 	-log_k -5.85
 # Strontium
 	Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-	-log_k	5.01
+	-log_k 5.01
 
 	Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
 	-log_k -6.58
 
-	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
+	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
 	-log_k -17.6
 # Barium
 	Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-	-log_k	5.46
+	-log_k 5.46
 
 	Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-	-log_k	-7.2	# table 10.5
+	-log_k -7.2 # table 10.5
 #
 # Cations from table 10.2
 #
 # Cadmium
 	Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-	-log_k	0.47
+	-log_k 0.47
 
 	Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-	-log_k	-2.91
+	-log_k -2.91
 # Zinc
 	Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-	-log_k	0.99
+	-log_k 0.99
 
 	Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-	-log_k	-1.99
+	-log_k -1.99
 # Copper
 	Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-	-log_k	2.89
+	-log_k 2.89
 
 	Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-	-log_k	0.6	# table 10.5
+	-log_k 0.6 # table 10.5
 # Lead
 	Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-	-log_k	4.65
+	-log_k 4.65
 
 	Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-	-log_k	0.3	# table 10.5
+	-log_k 0.3 # table 10.5
 #
 # Derived constants table 10.5
 #
@@ -1502,18 +1502,18 @@ SURFACE_SPECIES
 	-log_k -4.6
 # Manganese
 	Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-	-log_k	-0.4	# table 10.5
+	-log_k -0.4 # table 10.5
 
 	Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-	-log_k -3.5	# table 10.5
+	-log_k -3.5 # table 10.5
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
 	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-	-log_k	-0.95
+	-log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
 	Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
 	-log_k -2.98
 
-	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
+	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
 	-log_k -11.55
 ###############################################
 # ANIONS #
@@ -1522,51 +1522,74 @@ SURFACE_SPECIES
 # Anions from table 10.6
 #
 # Phosphate
-	Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-	-log_k	31.29
+	Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+	-log_k 31.29
 
-	Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-	-log_k	25.39
+	Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+	-log_k 25.39
 
 	Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-	-log_k	17.72
+	-log_k 17.72
 #
 # Anions from table 10.7
 #
 # Borate
 	Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-	-log_k	0.62
+	-log_k 0.62
 #
 # Anions from table 10.8
 #
 # Sulfate
 	Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-	-log_k	7.78
+	-log_k 7.78
 
 	Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-	-log_k	0.79
+	-log_k 0.79
 #
 # Derived constants table 10.10
 #
 	Hfo_wOH + F- + H+ = Hfo_wF + H2O
-	-log_k	8.7
+	-log_k 8.7
 
 	Hfo_wOH + F- = Hfo_wOHF-
-	-log_k	1.6
+	-log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for D&M model
 #
 	Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-	-log_k	12.56
+	-log_k 12.56
 
-	Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-	-log_k	20.62
+	Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+	-log_k 20.62
 #
 # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422.
 #
-	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O        ; log_K   4.28 
-	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O  ; log_K  -3.22 
-	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O	; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
+
+MEAN_GAMMAS
+CaCl2    Ca+2  1  Cl-    2
+CaSO4    Ca+2  1  SO4-2  1
+CaCO3    Ca+2  1  CO3-2  1
+Ca(OH)2  Ca+2  1  OH-    2
+MgCl2    Mg+2  1  Cl-    2
+MgSO4    Mg+2  1  SO4-2  1
+MgCO3    Mg+2  1  CO3-2  1
+Mg(OH)2  Mg+2  1  OH-    2
+NaCl     Na+   1  Cl-    1
+Na2SO4   Na+   2  SO4-2  1
+NaHCO3   Na+   1  HCO3-  1
+Na2CO3   Na+   2  CO3-2  1
+NaOH     Na+   1  OH-    1
+KCl      K+    1  Cl-    1
+K2SO4    K+    2  SO4-2  1
+HCO3     K+    1  HCO3-  1
+K2CO3    K+    2  CO3-2  1
+KOH      K+    1  OH-    1
+HCl      H+    1  Cl-    1
+H2SO4    H+    2  SO4-2  1
+HBr      H+    1  Br-    1
 
 RATES
 
@@ -1576,25 +1599,25 @@ RATES
 #
 #######
 # Example of quartz kinetic rates block:
-#	KINETICS
-#	Quartz
-#		-m0  158.8	    # 90 % Qu
-#		-parms 0.146  1.5
-#		-step 3.1536e8 in 10
-#		-tol 1e-12
+#	  KINETICS
+#	  Quartz
+#		  -m0  158.8	 # 90 % Qu
+#		  -parms 0.146  1.5
+#		  -step 3.1536e8 in 10
+#		  -tol 1e-12
 
 Quartz
   -start
-1  REM  Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2  REM  k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3  REM  sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4  REM  PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5  REM  PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
 
 10 dif_temp = 1/TK - 1/298
 20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 -  SR("Quartz"))
-#			 Integrate...
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
+#			  Integrate...
 50 SAVE moles * TIME
   -end
 
@@ -1616,60 +1639,60 @@ Quartz
 # GFW Kspar 0.278 kg/mol
 #
 # Moles of Kspar per liter pore space calculation:
-#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
-#   Mass of Kspar per liter pore space 6.07x0.1           = 0.607    kg Kspar/L pore space
-#   Moles of Kspar per liter pore space 0.607/0.278       = 2.18     mol Kspar/L pore space
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Kspar per liter pore space 6.07x0.1	   = 0.607    kg Kspar/L pore space
+#   Moles of Kspar per liter pore space 0.607/0.278	  = 2.18	mol Kspar/L pore space
 #
 # Specific area calculation:
-#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Kspar/sphere
-#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Kspar/sphere
-#   Moles of Kspar in sphere 1.36e-9/0.278                = 4.90e-9  mol Kspar/sphere
-#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Kspar/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Kspar/sphere
+#   Moles of Kspar in sphere 1.36e-9/0.278		= 4.90e-9  mol Kspar/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
 #   Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
 #
 #
 # Example of KINETICS data block for K-feldspar rate:
-#       KINETICS 1
-#       K-feldspar
-#               -m0 2.18            # 10% Kspar, 0.1 mm cubes
-#               -m  2.18            # Moles per L pore space
-#               -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
-#               -time 1.5 year in 40
+#	  KINETICS 1
+#	  K-feldspar
+#		  -m0 2.18	    # 10% Kspar, 0.1 mm cubes
+#		  -m  2.18	    # Moles per L pore space
+#		  -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
 
 K-feldspar
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM K-Feldspar parameters
-10  DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -1688,63 +1711,63 @@ K-feldspar
 # p. 162-163 and 395-399.
 #
 # Example of KINETICS data block for Albite rate:
-#       KINETICS 1
-#       Albite
-#               -m0 0.46            # 2% Albite, 0.1 mm cubes
-#               -m  0.46            # Moles per L pore space
-#               -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
-#               -time 1.5 year in 40
+#	  KINETICS 1
+#	  Albite
+#		  -m0 0.46	    # 2% Albite, 0.1 mm cubes
+#		  -m  0.46	    # Moles per L pore space
+#		  -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
 #
 # Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
 # Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
 # GFW Albite 0.262 kg/mol
 #
 # Moles of Albite per liter pore space calculation:
-#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
-#   Mass of Albite per liter pore space 6.07x0.02         = 0.121    kg Albite/L pore space
-#   Moles of Albite per liter pore space 0.607/0.262      = 0.46     mol Albite/L pore space
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Albite per liter pore space 6.07x0.02	 = 0.121    kg Albite/L pore space
+#   Moles of Albite per liter pore space 0.607/0.262	 = 0.46	mol Albite/L pore space
 #
 # Specific area calculation:
-#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Albite/sphere
-#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Albite/sphere
-#   Moles of Albite in sphere 1.36e-9/0.262               = 5.20e-9  mol Albite/sphere
-#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
-#   Specific area of Albite in sphere 3.14e-8/5.20e-9     = 6.04 m^2/mol Albite
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Albite/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Albite/sphere
+#   Moles of Albite in sphere 1.36e-9/0.262		  = 5.20e-9  mol Albite/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
+#   Specific area of Albite in sphere 3.14e-8/5.20e-9	= 6.04 m^2/mol Albite
 
 Albite
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Albite m^2/mol Albite
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM Albite parameters
-10  DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -1752,27 +1775,27 @@ Albite
 #Calcite
 ########
 # Example of KINETICS data block for calcite rate,
-#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
 # KINETICS 1
 # Calcite
 # -tol   1e-8
 # -m0    3.e-3
-# -m     3.e-3
+# -m	3.e-3
 # -parms 1.67e5   0.6  # cm^2/mol calcite, exp factor
 # -time  1 day
 
 Calcite
    -start
-1   REM   PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2   REM   PARM(2) = exponent for M/M0
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
 
-10  si_cc = SI("Calcite")
-20  IF (M <= 0  and si_cc < 0) THEN GOTO 200
-30  k1 = 10^(0.198 - 444.0 / TK )
-40  k2 = 10^(2.84 - 2177.0 /TK )
-50  IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60  IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80  IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
 120 rate = rate * (1 - 10^(2/3*si_cc))
 130 moles = rate * 0.001 * TIME # convert from mmol to mol
@@ -1788,27 +1811,27 @@ Calcite
 # rate equation is mol m^-2 s^-1.
 #
 # Example of KINETICS data block for pyrite rate:
-#       KINETICS 1
-#       Pyrite
-#               -tol    1e-8
-#               -m0     5.e-4
-#               -m      5.e-4
-#               -parms  0.3     0.67     .5      -0.11
-#               -time 1 day in 10
+#	  KINETICS 1
+#	  Pyrite
+#		  -tol    1e-8
+#		  -m0	5.e-4
+#		  -m	 5.e-4
+#		  -parms  0.3	0.67	.5	 -0.11
+#		  -time 1 day in 10
 Pyrite
   -start
-1   REM        Williamson and Rimstidt, 1994
-2   REM        PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3   REM        PARM(2) = exp for (M/M0)
-4   REM        PARM(3) = exp for O2
-5   REM        PARM(4) = exp for H+
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
 
-10  REM Dissolution in presence of DO
-20  if (M <= 0) THEN GOTO 200
-30  if (SI("Pyrite") >= 0) THEN GOTO 200
-40  log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50  log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60  moles = 10^(log_area + log_rate) * TIME
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
 200 SAVE moles
   -end
 
@@ -1817,27 +1840,27 @@ Pyrite
 ##########
 #
 # Example of KINETICS data block for SOC (sediment organic carbon):
-#       KINETICS 1
-#       Organic_C
-#               -formula C
-#               -tol    1e-8
-#               -m      5e-3   # SOC in mol
-#               -time 30 year in 15
+#	  KINETICS 1
+#	  Organic_C
+#		  -formula C
+#		  -tol    1e-8
+#		  -m	 5e-3   # SOC in mol
+#		  -time 30 year in 15
 Organic_C
  -start
-1   REM      Additive Monod kinetics for SOC (sediment organic carbon)
-2   REM      Electron acceptors: O2, NO3, and SO4
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
 
-10  if (M <= 0) THEN GOTO 200
-20  mO2   = MOL("O2")
-30  mNO3  = TOT("N(5)")
-40  mSO4  = TOT("S(6)")
-50  k_O2  = 1.57e-9    # 1/sec
-60  k_NO3 = 1.67e-11   # 1/sec
-70  k_SO4 = 1.e-13     # 1/sec
-80  rate  = k_O2 * mO2/(2.94e-4 + mO2)
-90  rate  = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate  = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
 110 moles = rate * M * (M/M0) * TIME
 200 SAVE moles
  -end
@@ -1850,33 +1873,34 @@ Organic_C
 # Rate equation given as mol L^-1 s^-1
 #
 # Example of KINETICS data block for Pyrolusite
-#       KINETICS 1-12
-#       Pyrolusite
-#               -tol    1.e-7
-#               -m0     0.1
-#               -m      0.1
-#               -time 0.5 day in 10
+#	  KINETICS 1-12
+#	  Pyrolusite
+#		  -tol    1.e-7
+#		  -m0	0.1
+#		  -m	 0.1
+#		  -time 0.5 day in 10
 Pyrolusite
   -start
-10  if (M <= 0) THEN GOTO 200
-20  sr_pl = SR("Pyrolusite")
-30  if (sr_pl > 1) THEN GOTO 100
-40  REM sr_pl <= 1, undersaturated
-50  Fe_t = TOT("Fe(2)")
-60  if Fe_t < 1e-8 then goto 200
-70  moles = 6.98e-5 * Fe_t  * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80  GOTO 200
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
 100 REM sr_pl > 1, supersaturated
 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
 200 SAVE moles * SOLN_VOL
   -end
+
 END
 # =============================================================================================
-#(a) means amorphous. (d) means disordered, or less crystalline. 
-#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), 
-#precipitated, indicates an initial precipitate that is less crystalline. 
+#(a) means amorphous. (d) means disordered, or less crystalline.
+#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt),
+#precipitated, indicates an initial precipitate that is less crystalline.
 #Zn(OH)2(e) indicates a specific crystal form, epsilon.
-# ============================================================================================= 
+# =============================================================================================
 # For the reaction aA + bB = cC + dD,
 #   with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
 # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
@@ -1888,36 +1912,36 @@ END
 #    H2O    0.49   0.19   0.19   0.49
 # =============================================================================================
 # The molar volumes of solids are entered with
-#                         -Vm vm cm3/mol
+#			 -Vm vm cm3/mol
 #    vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
 # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
 #   Deer, Howie and Zussman, The rock-forming minerals, Longman.
-#                           --------------------
+#			   --------------------
 # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
-#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with 
-#                        -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
+#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
+#			-Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
 # The volume (cm3/mol) is
 #    Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb)  + a3 / (T - 228) +
-#                            a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
-#                   + z^2 / 2 * Av * f(I^0.5)
-#                   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
+#			    a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
+#		   + z^2 / 2 * Av * f(I^0.5)
+#		   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
 #   Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
 #   41.84 transforms cal/bar/mol into cm3/mol.
 #   pb is pressure in bar.
 #   W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
-#     W is fitted on measured solution densities.
+#	W is fitted on measured solution densities.
 #   z is charge of the solute species.
 #   Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
 #   a0 is the ion-size parameter in the extended Debye-Hückel equation:
-#     f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
-#     a0 = -gamma x for cations, = 0 for anions.
+#	f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
+#	a0 = -gamma	  x for cations, = 0 for anions.
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
 #    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
-#    #           b0       b1       b2      d1       d2      d3     tan
+#    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
@@ -1925,7 +1949,7 @@ END
 #    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 4.
 #
-# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. 
+# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
 # ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
 # ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
 # ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat
new file mode 100644
index 00000000..50a5e0d4
--- /dev/null
+++ b/database/phreeqc_rates.dat
@@ -0,0 +1,3149 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc_rates.dat, 24/05/2024  01:41, 3147 lines, 110328 bytes, md5=7fc916311a573d0ad7ce880f996a9bbf
+# Created 24 May 2024 01:58:45
+# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts phreeqc_rates.dat
+
+# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on:
+#   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
+# Details are given at the end of this file.
+
+SOLUTION_MASTER_SPECIES
+#
+#element  species	 alk	gfw_formula	element_gfw
+#
+H           H+      -1  H               1.008
+H(0)        H2      0   H
+H(1)        H+      -1  H
+E           e-      1   0               0
+O           H2O     0   O               16
+O(0)        O2      0   O
+O(-2)       H2O     0   0
+Ca          Ca+2    0   Ca              40.08
+Mg          Mg+2    0   Mg              24.312
+Na          Na+     0   Na              22.9898
+K           K+      0   K               39.102
+Fe          Fe+2    0   Fe              55.847
+Fe(+2)      Fe+2    0   Fe
+Fe(+3)      Fe+3    -2  Fe
+Mn          Mn+2    0   Mn              54.938
+Mn(+2)      Mn+2    0   Mn
+Mn(+3)      Mn+3    0   Mn
+Al          Al+3    0   Al              26.9815
+Ba          Ba+2    0   Ba              137.34
+Sr          Sr+2    0   Sr              87.62
+Si          H4SiO4  0   SiO2            28.0843
+Cl          Cl-     0   Cl              35.453
+C           CO3-2   2   HCO3            12.0111
+C(+4)       CO3-2   2   HCO3
+C(-4)       CH4     0   CH4
+Alkalinity  CO3-2   1   Ca0.5(CO3)0.5   50.05
+S           SO4-2   0   SO4             32.064
+S(6)        SO4-2   0   SO4
+S(-2)       HS-     1   S
+N           NO3-    0   N               14.0067
+N(+5)       NO3-    0   N
+N(+3)       NO2-    0   N
+N(0)        N2      0   N
+N(-3)       NH4+    0   N               14.0067
+#Amm         AmmH+   0   AmmH           17.031
+B           H3BO3   0   B               10.81
+P           PO4-3   2   P               30.9738
+F           F-      0   F               18.9984
+Li          Li+     0   Li              6.939
+Br          Br-     0   Br              79.904
+Zn          Zn+2    0   Zn              65.37
+Cd          Cd+2    0   Cd              112.4
+Pb          Pb+2    0   Pb              207.19
+Cu          Cu+2    0   Cu              63.546
+Cu(+2)      Cu+2    0   Cu
+Cu(+1)      Cu+1    0   Cu
+#   redox-uncoupled gases
+Hdg         Hdg     0   Hdg             2.016   #   H2  gas
+Oxg         Oxg     0   Oxg             32      #   O2  gas
+Mtg         Mtg     0   Mtg             16.032  #   CH4 gas
+Sg          H2Sg    0   H2Sg            32.064  #   H2S gas
+Ntg         Ntg     0   Ntg             28.0134 #   N2  gas
+
+SOLUTION_SPECIES
+H+ = H+
+	-gamma 9 0
+	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
+	-dw 9.31e-9  838   16.315  0   2.376  24.01  0
+#	    Dw(25 C) dw_T  a       a2  visc   a3     a_v_dif
+# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# a3 = -10 ? ka = DH_B * a * mu^a2  (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
+# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
+
+# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
+e- = e-
+H2O = H2O
+	-dw 2.299e-9 -254
+# H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence
+Li+ = Li+
+	-gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2
+	-Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
+	-viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl
+	-dw 1.03e-9 -14 4.03 0.8341 1.679
+Na+ = Na+
+	-gamma 4 0.075
+	-gamma 4.08 0.082 # halite solubility
+	-Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566
+	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45 # for densities (rho) when I > 3.
+	-viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062
+	-dw 1.33e-9 75 3.627 0 0.7037
+K+ = K+
+	-gamma 3.5 0.015
+	-Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1
+	-viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028
+	-dw 1.96e-9 254 3.484 0 0.1964
+Mg+2 = Mg+2
+	-gamma 5.5 0.2
+	-Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1
+	-viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461
+	-dw 0.705e-9 -4 5.569 0 1.047
+Ca+2 = Ca+2
+	-gamma 5 0.165
+	-Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1
+	-viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M
+	-dw 0.792e-9 34 5.411 0 1.046
+Sr+2 = Sr+2
+	-gamma 5.26 0.121
+	-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
+	-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
+	-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
+Ba+2 = Ba+2
+	-gamma 5 0
+	-gamma 4 0.153 # Barite solubility
+	-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1
+	-viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768
+	-dw 0.848e-9 174 10.53 0 3
+Fe+2 = Fe+2
+	-gamma 6 0
+	-Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1
+	-dw 0.719e-9
+Mn+2 = Mn+2
+	-gamma 6 0
+	-Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118
+	-dw 0.688e-9
+Al+3 = Al+3
+	-gamma 9 0
+	-Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353
+	-dw 0.559e-9
+H4SiO4 = H4SiO4
+	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
+	-dw 1.1e-9
+Cl- = Cl-
+	-gamma 3.5 0.015
+	-gamma 3.63 0.017 # cf. pitzer.dat
+	-Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1
+	-viscosity 0 0 0 0 0 0 1 # the reference solute
+	-dw 2.033e-9 216 3.16 0.2071 0.7432
+CO3-2 = CO3-2
+	-gamma 5.4 0
+	-Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316
+	-viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147
+	-dw 0.955e-9 -103 2.246 7.13e-2 0.3686
+SO4-2 = SO4-2
+	-gamma 5 -0.04
+	-Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
+	-viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605
+	-dw 1.07e-9 -114 17 6.02e-2 4.94e-2
+NO3- = NO3-
+	-gamma 3 0
+	-Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1
+	-viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381
+	-dw 1.9e-9 104 1.11
+# AmmH+ = AmmH+
+	# -gamma 2.50
+	# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+	# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+	# -dw 1.98e-9 203 1.47 2.644 6.81e-2
+H3BO3 = H3BO3
+	-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
+	-dw 1.1e-9
+PO4-3 = PO4-3
+	-gamma 4 0
+	-Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1
+	-dw 0.612e-9
+F- = F-
+	-gamma 3.5 0
+	-Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1
+	-viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586
+	-dw 1.46e-9 -36 4.352
+Br- = Br-
+	-gamma 3 0
+	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
+	-viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82
+	-dw 2.09e-9 208 3.5 0 0.5737
+Zn+2 = Zn+2
+	-gamma 5 0
+	-Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11
+	-dw 0.715e-9
+Cd+2 = Cd+2
+	-Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1
+	-dw 0.717e-9
+Pb+2 = Pb+2
+	-Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt
+	-dw 0.945e-9
+Cu+2 = Cu+2
+	-gamma 6 0
+	-Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1
+	-dw 0.733e-9
+# redox-uncoupled gases
+Hdg = Hdg # H2
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
+Oxg = Oxg # O2
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
+Mtg = Mtg # CH4
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
+Ntg = Ntg # N2
+	-Vm 7 # Pray et al., 1952, IEC 44, 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
+H2Sg = H2Sg # H2S
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
+# aqueous species
+H2O = OH- + H+
+	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
+	-gamma 3.5 0
+	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
+	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-dw 5.27e-9 478 0.8695
+2 H2O = O2 + 4 H+ + 4 e-
+	-log_k -86.08
+	-delta_h 134.79 kcal
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
+2 H+ + 2 e- = H2
+	-log_k -3.15
+	-delta_h -1.759 kcal
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
+H+ + Cl- = HCl
+	-log_k -0.5
+	-analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
+	-gamma 0 0.4256
+	-viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223
+CO3-2 + H+ = HCO3-
+	-log_k 10.329;  -delta_h -3.561 kcal
+	-analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
+	-Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144
+	-viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253
+	-dw 1.18e-9 -190 11.386
+CO3-2 + 2 H+ = CO2 + H2O
+	-log_k 16.681
+	-delta_h -5.738 kcal
+	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
+	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
+	-log_k -1.8
+	-analytical_expression 8.68 -0.0103 -2190
+	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
+	-log_k 41.071
+	-delta_h -61.039 kcal
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
+SO4-2 + H+ = HSO4-
+	-log_k 1.988;  -delta_h 3.85 kcal
+	-analytic -56.889 0.006473 2307.9 19.8858
+	-Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1
+	-viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987
+	-dw 1.22e-9 1000 15 2.861
+HS- = S-2 + H+
+	-log_k -12.918
+	-delta_h 12.1 kcal
+	-gamma 5 0
+	-dw 0.731e-9
+SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
+	-log_k 33.65
+	-delta_h -60.14 kcal
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
+HS- + H+ = H2S
+	-log_k 6.994; -delta_h -5.3 kcal
+	-analytical -11.17 0.02386 3279
+	-Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
+2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
+H2Sg = HSg- + H+
+	-log_k -6.994; -delta_h 5.3 kcal
+	-analytical_expression 11.17 -0.02386 -3279
+	-gamma 3.5 0
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
+2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
+NO3- + 2 H+ + 2 e- = NO2- + H2O
+	-log_k 28.57
+	-delta_h -43.76 kcal
+	-gamma 3 0
+	-Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt
+	-dw 1.91e-9
+2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
+	-log_k 207.08
+	-delta_h -312.13 kcal
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
+NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+	-log_k 119.077
+	-delta_h -187.055 kcal
+	-gamma 2.5 0
+	-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
+	-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
+	-dw 1.98e-9 203 1.47 2.644 6.81e-2
+#AmmH+ = Amm + H+
+NH4+ = NH3 + H+
+	-log_k -9.252
+	-delta_h 12.48 kcal
+	-analytic 0.6322 -0.001225 -2835.76
+	-Vm 6.69 2.8 3.58 -2.88 1.43
+	-viscosity 0.08 0 0 7.82e-3 -0.134 -0.986
+	-dw 2.28e-9
+#AmmH+ + SO4-2 = AmmHSO4-
+NH4+ + SO4-2 = NH4SO4-
+	-gamma 6.54 -0.08
+	-log_k 1.106;	-delta_h 4.3 kcal
+	-Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339
+	-viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748
+	-dw 1.35e-9 500 12.5 3 -1
+H3BO3 = H2BO3- + H+
+	-log_k -9.24
+	-delta_h 3.224 kcal
+H3BO3 + F- = BF(OH)3-
+	-log_k -0.4
+	-delta_h 1.85 kcal
+H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
+	-log_k 7.63
+	-delta_h 1.618 kcal
+H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
+	-log_k 13.67
+	-delta_h -1.614 kcal
+H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+	-log_k 20.28
+	-delta_h -1.846 kcal
+PO4-3 + H+ = HPO4-2
+	-log_k 12.346
+	-delta_h -3.53 kcal
+	-gamma 5 0
+	-dw 0.69e-9
+	-Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1
+PO4-3 + 2 H+ = H2PO4-
+	-log_k 19.553
+	-delta_h -4.52 kcal
+	-gamma 5.4 0
+	-Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1
+	-dw 0.846e-9
+PO4-3 + 3 H+ = H3PO4
+	log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
+	delta_h -10.1 kJ
+	-Vm 7.47 12.4 6.29 -3.29 0
+H+ + F- = HF
+	-log_k 3.18
+	-delta_h 3.18 kcal
+	-analytic -2.033 0.012645 429.01
+	-Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt
+H+ + 2 F- = HF2-
+	-log_k 3.76
+	-delta_h 4.55 kcal
+	-Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt
+Ca+2 + H2O = CaOH+ + H+
+	-log_k -12.78
+Ca+2 + CO3-2 = CaCO3
+	-log_k 3.224; -delta_h 3.545 kcal
+	-analytic -1228.732 -0.29944 35512.75 485.818
+	-dw 4.46e-10 # complexes: calc'd with the Pikal formula
+	-Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt
+Ca+2 + CO3-2 + H+ = CaHCO3+
+	-log_k 10.91; -delta_h 4.38 kcal
+	-analytic -6.009 3.377e-2 2044
+	-gamma 6 0
+	-Vm 30.19 .01 5.75 -2.78 .308 5.4
+	-dw 5.06e-10
+Ca+2 + SO4-2 = CaSO4
+	-log_k 2.25
+	-delta_h 1.325 kcal
+	-dw 4.71e-10
+	-Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt
+Ca+2 + HSO4- = CaHSO4+
+	-log_k 1.08
+Ca+2 + PO4-3 = CaPO4-
+	-log_k 6.459
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
+Ca+2 + HPO4-2 = CaHPO4
+	-log_k 2.739
+	-delta_h 3.3 kcal
+Ca+2 + H2PO4- = CaH2PO4+
+	-log_k 1.408
+	-delta_h 3.4 kcal
+	-gamma 5.4 0
+# Ca+2 + F- = CaF+
+	# -log_k	0.94
+	# -delta_h 4.120	kcal
+	# -gamma	5.5  0.0
+	# -Vm   .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
+Mg+2 + H2O = MgOH+ + H+
+	-log_k -11.44
+	-delta_h 15.952 kcal
+	-gamma 6.5 0
+Mg+2 + CO3-2 = MgCO3
+	-log_k 2.98
+	-delta_h 2.713 kcal
+	-analytic 0.991 0.00667
+	-Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt
+	-dw 4.21e-10
+Mg+2 + H+ + CO3-2 = MgHCO3+
+	-log_k 11.399
+	-delta_h -2.771 kcal
+	-analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9
+	-gamma 4 0
+	-Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt
+	-dw 4.78e-10
+Mg+2 + SO4-2 = MgSO4
+	-gamma 0 0.2
+	-log_k 2.42; -delta_h 19 kJ
+	-analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm 8.65 -10.21 29.58 -18.6 1.061
+	-viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696
+	-dw 4.45e-10
+SO4-2 + MgSO4 = Mg(SO4)2-2
+	-gamma 7 0.047
+	-log_k 0.52; -delta_h -13.6 kJ
+	-analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+	-Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2
+	-viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3
+	-dw 0.845e-9 -200 8 0 0.965
+Mg+2 + PO4-3 = MgPO4-
+	-log_k 6.589
+	-delta_h 3.1 kcal
+	-gamma 5.4 0
+Mg+2 + HPO4-2 = MgHPO4
+	-log_k 2.87
+	-delta_h 3.3 kcal
+Mg+2 + H2PO4- = MgH2PO4+
+	-log_k 1.513
+	-delta_h 3.4 kcal
+	-gamma 5.4 0
+Mg+2 + F- = MgF+
+	-log_k 1.82
+	-delta_h 3.2 kcal
+	-gamma 4.5 0
+	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
+Na+ + OH- = NaOH
+	-log_k -10 # remove this complex
+Na+ + HCO3- = NaHCO3
+	-log_k -0.06; -delta_h 21 kJ
+	-gamma 0 0.2
+	-Vm 7.95 0 0 0 0.609
+	-viscosity -4e-2 -2.717 1.67e-5
+	-dw 6.73e-10
+Na+ + SO4-2 = NaSO4-
+	-gamma 5.5 0
+	-log_k 0.6; -delta_h -14.4 kJ
+	-analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC
+	-Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325
+	-viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208
+	-dw 1.13e-9 -23 8.5 0.392 0.521
+Na+ + HPO4-2 = NaHPO4-
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1
+Na+ + F- = NaF
+	-log_k -0.24
+	-Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt
+K+ + HCO3- = KHCO3
+	-log_k -0.35;  -delta_h 12 kJ
+	-gamma 0 9.4e-3
+	-Vm 9.48 0 0 0 -0.542
+	-viscosity 0.7 -1.289 9e-2
+K+ + SO4-2 = KSO4-
+	-gamma 5.4 0.19
+	-log_k 0.6; -delta_h -10.4 kJ
+	-analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC
+	-Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919
+	-viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69
+	-dw 0.9e-9 63 8.48 0 1.8
+K+ + HPO4-2 = KHPO4-
+	-log_k 0.29
+	-gamma 5.4 0
+	-Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1
+Fe+2 + H2O = FeOH+ + H+
+	-log_k -9.5
+	-delta_h 13.2 kcal
+	-gamma 5 0
+Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+	-log_k -31
+	-delta_h 30.3 kcal
+	-gamma 5 0
+Fe+2 + Cl- = FeCl+
+	-log_k 0.14
+Fe+2 + CO3-2 = FeCO3
+	-log_k 4.38
+Fe+2 + HCO3- = FeHCO3+
+	-log_k 2
+Fe+2 + SO4-2 = FeSO4
+	-log_k 2.25
+	-delta_h 3.23 kcal
+	-Vm -13 0 123
+Fe+2 + HSO4- = FeHSO4+
+	-log_k 1.08
+Fe+2 + 2 HS- = Fe(HS)2
+	-log_k 8.95
+Fe+2 + 3 HS- = Fe(HS)3-
+	-log_k 10.987
+Fe+2 + HPO4-2 = FeHPO4
+	-log_k 3.6
+Fe+2 + H2PO4- = FeH2PO4+
+	-log_k 2.7
+	-gamma 5.4 0
+Fe+2 + F- = FeF+
+	-log_k 1
+Fe+2 = Fe+3 + e-
+	-log_k -13.02
+	-delta_h 9.68 kcal
+	-gamma 9 0
+Fe+3 + H2O = FeOH+2 + H+
+	-log_k -2.19
+	-delta_h 10.4 kcal
+	-gamma 5 0
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+	-log_k -5.67
+	-delta_h 17.1 kcal
+	-gamma 5.4 0
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+	-log_k -12.56
+	-delta_h 24.8 kcal
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+	-log_k -21.6
+	-delta_h 31.9 kcal
+	-gamma 5.4 0
+Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+	-log_k -20.57
+	-delta_h 28.565 kcal
+2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+	-log_k -2.95
+	-delta_h 13.5 kcal
+3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+	-log_k -6.3
+	-delta_h 14.3 kcal
+Fe+3 + Cl- = FeCl+2
+	-log_k 1.48
+	-delta_h 5.6 kcal
+	-gamma 5 0
+Fe+3 + 2 Cl- = FeCl2+
+	-log_k 2.13
+	-gamma 5 0
+Fe+3 + 3 Cl- = FeCl3
+	-log_k 1.13
+Fe+3 + SO4-2 = FeSO4+
+	-log_k 4.04
+	-delta_h 3.91 kcal
+	-gamma 5 0
+Fe+3 + HSO4- = FeHSO4+2
+	-log_k 2.48
+Fe+3 + 2 SO4-2 = Fe(SO4)2-
+	-log_k 5.38
+	-delta_h 4.6 kcal
+Fe+3 + HPO4-2 = FeHPO4+
+	-log_k 5.43
+	-delta_h 5.76 kcal
+	-gamma 5 0
+Fe+3 + H2PO4- = FeH2PO4+2
+	-log_k 5.43
+	-gamma 5.4 0
+Fe+3 + F- = FeF+2
+	-log_k 6.2
+	-delta_h 2.7 kcal
+	-gamma 5 0
+Fe+3 + 2 F- = FeF2+
+	-log_k 10.8
+	-delta_h 4.8 kcal
+	-gamma 5 0
+Fe+3 + 3 F- = FeF3
+	-log_k 14
+	-delta_h 5.4 kcal
+Mn+2 + H2O = MnOH+ + H+
+	-log_k -10.59
+	-delta_h 14.4 kcal
+	-gamma 5 0
+Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+	-log_k -34.8
+	-gamma 5 0
+Mn+2 + Cl- = MnCl+
+	-log_k 0.61
+	-gamma 5 0
+	-Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1
+Mn+2 + 2 Cl- = MnCl2
+	-log_k 0.25
+	-Vm 1e-5 0 144
+Mn+2 + 3 Cl- = MnCl3-
+	-log_k -0.31
+	-gamma 5 0
+	-Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1
+Mn+2 + CO3-2 = MnCO3
+	-log_k 4.9
+Mn+2 + HCO3- = MnHCO3+
+	-log_k 1.95
+	-gamma 5 0
+Mn+2 + SO4-2 = MnSO4
+	-log_k 2.25
+	-delta_h 3.37 kcal
+	-Vm -1.31 -1.83 62.3 -2.7
+Mn+2 + 2 NO3- = Mn(NO3)2
+	-log_k 0.6
+	-delta_h -0.396 kcal
+	-Vm 6.16 0 29.4 0 0.9
+Mn+2 + F- = MnF+
+	-log_k 0.84
+	-gamma 5 0
+Mn+2 = Mn+3 + e-
+	-log_k -25.51
+	-delta_h 25.8 kcal
+	-gamma 9 0
+Al+3 + H2O = AlOH+2 + H+
+	-log_k -5
+	-delta_h 11.49 kcal
+	-analytic -38.253 0 -656.27 14.327
+	-gamma 5.4 0
+	-Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353
+Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+	-log_k -10.1
+	-delta_h 26.9 kcal
+	-gamma 5.4 0
+	-analytic 88.5 0 -9391.6 -27.121
+Al+3 + 3 H2O = Al(OH)3 + 3 H+
+	-log_k -16.9
+	-delta_h 39.89 kcal
+	-analytic 226.374 0 -18247.8 -73.597
+Al+3 + 4 H2O = Al(OH)4- + 4 H+
+	-log_k -22.7
+	-delta_h 42.3 kcal
+	-analytic 51.578 0 -11168.9 -14.865
+	-gamma 4.5 0
+	-dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959
+Al+3 + SO4-2 = AlSO4+
+	-log_k 3.5
+	-delta_h 2.29 kcal
+	-gamma 4.5 0
+Al+3 + 2 SO4-2 = Al(SO4)2-
+	-log_k 5
+	-delta_h 3.11 kcal
+	-gamma 4.5 0
+Al+3 + HSO4- = AlHSO4+2
+	-log_k 0.46
+Al+3 + F- = AlF+2
+	-log_k 7
+	-delta_h 1.06 kcal
+	-gamma 5.4 0
+Al+3 + 2 F- = AlF2+
+	-log_k 12.7
+	-delta_h 1.98 kcal
+	-gamma 5.4 0
+Al+3 + 3 F- = AlF3
+	-log_k 16.8
+	-delta_h 2.16 kcal
+Al+3 + 4 F- = AlF4-
+	-log_k 19.4
+	-delta_h 2.2 kcal
+	-gamma 4.5 0
+# Al+3 + 5 F- = AlF5-2
+	# log_k 20.6
+	# delta_h 1.840 kcal
+# Al+3 + 6 F- = AlF6-3
+	# log_k 20.6
+	# delta_h -1.670	kcal
+H4SiO4 = H3SiO4- + H+
+	-log_k -9.83
+	-delta_h 6.12 kcal
+	-analytic -302.3724 -0.050698 15669.69 108.18466 -1119669
+	-gamma 4 0
+	-Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt  H2O in a1
+H4SiO4 = H2SiO4-2 + 2 H+
+	-log_k -23
+	-delta_h 17.6 kcal
+	-analytic -294.0184 -0.07265 11204.49 108.18466 -1119669
+	-gamma 5.4 0
+H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+	-log_k 30.18
+	-delta_h -16.26 kcal
+	-gamma 5 0
+	-Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt
+Ba+2 + H2O = BaOH+ + H+
+	-log_k -13.47
+	-gamma 5 0
+Ba+2 + CO3-2 = BaCO3
+	-log_k 2.71
+	-delta_h 3.55 kcal
+	-analytic 0.113 0.008721
+	-Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt
+Ba+2 + HCO3- = BaHCO3+
+	-log_k 0.982
+	-delta_h 5.56 kcal
+	-analytic -3.0938 0.013669
+Ba+2 + SO4-2 = BaSO4
+	-log_k 2.7
+Sr+2 + H2O = SrOH+ + H+
+	-log_k -13.29
+	-gamma 5 0
+Sr+2 + CO3-2 + H+ = SrHCO3+
+	-log_k 11.509
+	-delta_h 2.489 kcal
+	-analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9
+	-gamma 5.4 0
+Sr+2 + CO3-2 = SrCO3
+	-log_k 2.81
+	-delta_h 5.22 kcal
+	-analytic -1.019 0.012826
+	-Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt
+Sr+2 + SO4-2 = SrSO4
+	-log_k 2.29
+	-delta_h 2.08 kcal
+	-Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility
+Li+ + SO4-2 = LiSO4-
+	-log_k 0.64
+	-gamma 5 0
+Cu+2 + e- = Cu+
+	-log_k 2.72
+	-delta_h 1.65 kcal
+	-gamma 2.5 0
+Cu+ + 2 Cl- = CuCl2-
+	-log_k 5.5
+	-delta_h -0.42 kcal
+	-gamma 4 0
+Cu+ + 3 Cl- = CuCl3-2
+	-log_k 5.7
+	-delta_h 0.26 kcal
+	-gamma 5 0
+Cu+2 + CO3-2 = CuCO3
+	-log_k 6.73
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+	-log_k 9.83
+Cu+2 + HCO3- = CuHCO3+
+	-log_k 2.7
+Cu+2 + Cl- = CuCl+
+	-log_k 0.43
+	-delta_h 8.65 kcal
+	-gamma 4 0
+	-Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1
+Cu+2 + 2 Cl- = CuCl2
+	-log_k 0.16
+	-delta_h 10.56 kcal
+	-Vm 26.8 0 -136
+Cu+2 + 3 Cl- = CuCl3-
+	-log_k -2.29
+	-delta_h 13.69 kcal
+	-gamma 4 0
+Cu+2 + 4 Cl- = CuCl4-2
+	-log_k -4.59
+	-delta_h 17.78 kcal
+	-gamma 5 0
+Cu+2 + F- = CuF+
+	-log_k 1.26
+	-delta_h 1.62 kcal
+Cu+2 + H2O = CuOH+ + H+
+	-log_k -8
+	-gamma 4 0
+Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+	-log_k -13.68
+Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+	-log_k -26.9
+Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+	-log_k -39.6
+2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+	-log_k -10.359
+	-delta_h 17.539 kcal
+	-analytical 2.497 0 -3833
+Cu+2 + SO4-2 = CuSO4
+	-log_k 2.31
+	-delta_h 1.22 kcal
+	-Vm 5.21 0 -14.6
+Cu+2 + 3 HS- = Cu(HS)3-
+	-log_k 25.9
+Zn+2 + H2O = ZnOH+ + H+
+	-log_k -8.96
+	-delta_h 13.4 kcal
+Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+	-log_k -16.9
+Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+	-log_k -28.4
+Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+	-log_k -41.2
+Zn+2 + Cl- = ZnCl+
+	-log_k 0.43
+	-delta_h 7.79 kcal
+	-gamma 4 0
+	-Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1
+Zn+2 + 2 Cl- = ZnCl2
+	-log_k 0.45
+	-delta_h 8.5 kcal
+	-Vm -10.1 4.57 241 -2.97 -1e-3
+Zn+2 + 3 Cl- = ZnCl3-
+	-log_k 0.5
+	-delta_h 9.56 kcal
+	-gamma 4 0
+	-Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1
+Zn+2 + 4 Cl- = ZnCl4-2
+	-log_k 0.2
+	-delta_h 10.96 kcal
+	-gamma 5 0
+	-Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1
+Zn+2 + H2O + Cl- = ZnOHCl + H+
+	-log_k -7.48
+Zn+2 + 2 HS- = Zn(HS)2
+	-log_k 14.94
+Zn+2 + 3 HS- = Zn(HS)3-
+	-log_k 16.1
+Zn+2 + CO3-2 = ZnCO3
+	-log_k 5.3
+Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+	-log_k 9.63
+Zn+2 + HCO3- = ZnHCO3+
+	-log_k 2.1
+Zn+2 + SO4-2 = ZnSO4
+	-log_k 2.37
+	-delta_h 1.36 kcal
+	-Vm 2.51 0 18.8
+Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+	-log_k 3.28
+	-Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1
+Zn+2 + Br- = ZnBr+
+	-log_k -0.58
+Zn+2 + 2 Br- = ZnBr2
+	-log_k -0.98
+Zn+2 + F- = ZnF+
+	-log_k 1.15
+	-delta_h 2.22 kcal
+Cd+2 + H2O = CdOH+ + H+
+	-log_k -10.08
+	-delta_h 13.1 kcal
+Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+	-log_k -20.35
+Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+	-log_k -33.3
+Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+	-log_k -47.35
+2 Cd+2 + H2O = Cd2OH+3 + H+
+	-log_k -9.39
+	-delta_h 10.9 kcal
+Cd+2 + H2O + Cl- = CdOHCl + H+
+	-log_k -7.404
+	-delta_h 4.355 kcal
+Cd+2 + NO3- = CdNO3+
+	-log_k 0.4
+	-delta_h -5.2 kcal
+	-Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1
+Cd+2 + Cl- = CdCl+
+	-log_k 1.98
+	-delta_h 0.59 kcal
+	-Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1
+Cd+2 + 2 Cl- = CdCl2
+	-log_k 2.6
+	-delta_h 1.24 kcal
+	-Vm 5.53
+Cd+2 + 3 Cl- = CdCl3-
+	-log_k 2.4
+	-delta_h 3.9 kcal
+	-Vm 4.6 0 83.9 0 0 0 0 0 0 1
+Cd+2 + CO3-2 = CdCO3
+	-log_k 2.9
+Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+	-log_k 6.4
+Cd+2 + HCO3- = CdHCO3+
+	-log_k 1.5
+Cd+2 + SO4-2 = CdSO4
+	-log_k 2.46
+	-delta_h 1.08 kcal
+	-Vm 10.4 0 57.9
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+	-log_k 3.5
+	-Vm -6.29 0 -93 0 9.5 7 0 0 0 1
+Cd+2 + Br- = CdBr+
+	-log_k 2.17
+	-delta_h -0.81 kcal
+Cd+2 + 2 Br- = CdBr2
+	-log_k 2.9
+Cd+2 + F- = CdF+
+	-log_k 1.1
+Cd+2 + 2 F- = CdF2
+	-log_k 1.5
+Cd+2 + HS- = CdHS+
+	-log_k 10.17
+Cd+2 + 2 HS- = Cd(HS)2
+	-log_k 16.53
+Cd+2 + 3 HS- = Cd(HS)3-
+	-log_k 18.71
+Cd+2 + 4 HS- = Cd(HS)4-2
+	-log_k 20.9
+Pb+2 + H2O = PbOH+ + H+
+	-log_k -7.71
+Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+	-log_k -17.12
+Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+	-log_k -28.06
+Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+	-log_k -39.7
+2 Pb+2 + H2O = Pb2OH+3 + H+
+	-log_k -6.36
+Pb+2 + Cl- = PbCl+
+	-log_k 1.6
+	-delta_h 4.38 kcal
+	-Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt
+Pb+2 + 2 Cl- = PbCl2
+	-log_k 1.8
+	-delta_h 1.08 kcal
+	-Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt
+Pb+2 + 3 Cl- = PbCl3-
+	-log_k 1.7
+	-delta_h 2.17 kcal
+	-Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt
+Pb+2 + 4 Cl- = PbCl4-2
+	-log_k 1.38
+	-delta_h 3.53 kcal
+	-Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt
+Pb+2 + CO3-2 = PbCO3
+	-log_k 7.24
+Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+	-log_k 10.64
+Pb+2 + HCO3- = PbHCO3+
+	-log_k 2.9
+Pb+2 + SO4-2 = PbSO4
+	-log_k 2.75
+Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+	-log_k 3.47
+Pb+2 + 2 HS- = Pb(HS)2
+	-log_k 15.27
+Pb+2 + 3 HS- = Pb(HS)3-
+	-log_k 16.57
+3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+	-log_k -23.88
+	-delta_h 26.5 kcal
+Pb+2 + NO3- = PbNO3+
+	-log_k 1.17
+Pb+2 + Br- = PbBr+
+	-log_k 1.77
+	-delta_h 2.88 kcal
+Pb+2 + 2 Br- = PbBr2
+	-log_k 1.44
+Pb+2 + F- = PbF+
+	-log_k 1.25
+Pb+2 + 2 F- = PbF2
+	-log_k 2.56
+Pb+2 + 3 F- = PbF3-
+	-log_k 3.42
+Pb+2 + 4 F- = PbF4-2
+	-log_k 3.1
+
+PHASES
+Calcite
+	CaCO3 = CO3-2 + Ca+2
+	-log_k -8.48
+	-delta_h -2.297 kcal
+	-analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
+	-Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
+Aragonite
+	CaCO3 = CO3-2 + Ca+2
+	-log_k -8.336
+	-delta_h -2.589 kcal
+	-analytic -171.9773 -0.077993 2903.293 71.595
+	-Vm 34.04
+Dolomite
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	-log_k -17.09
+	-delta_h -9.436 kcal
+	-analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275
+	-Vm 64.5
+Siderite
+	FeCO3 = Fe+2 + CO3-2
+	-log_k -10.89
+	-delta_h -2.48 kcal
+	-Vm 29.2
+Rhodochrosite
+	MnCO3 = Mn+2 + CO3-2
+	-log_k -11.13
+	-delta_h -1.43 kcal
+	-Vm 31.1
+Strontianite
+	SrCO3 = Sr+2 + CO3-2
+	-log_k -9.271
+	-delta_h -0.4 kcal
+	-analytic 155.0305 0 -7239.594 -56.58638
+	-Vm 39.69
+Witherite
+	BaCO3 = Ba+2 + CO3-2
+	-log_k -8.562
+	-delta_h 0.703 kcal
+	-analytic 607.642 0.121098 -20011.25 -236.4948
+	-Vm 46
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	-log_k -4.58
+	-delta_h -0.109 kcal
+	-analytic 68.2401 0 -3221.51 -25.0627
+	-analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
+	-Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol)
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	-log_k -4.36
+	-delta_h -1.71 kcal
+	-analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323
+	-Vm 46.1 # 136.14 / 2.95
+Celestite
+	SrSO4 = Sr+2 + SO4-2
+	-log_k -6.63
+	-delta_h -4.037 kcal
+#	  -analytic	  -14805.9622	-2.4660924	 756968.533	 5436.3588	  -40553604.0
+	-analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464
+	-Vm 46.4
+Barite
+	BaSO4 = Ba+2 + SO4-2
+	-log_k -9.97
+	-delta_h 6.35 kcal
+	-analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960
+	-Vm 52.9
+Arcanite
+	K2SO4 = SO4-2 + 2 K+
+	log_k -1.776; -delta_h 5 kcal
+	-analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3
+	# Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
+	-Vm 65.5
+Mirabilite
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	-analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3
+	Vm 216
+Thenardite
+	Na2SO4 = 2 Na+ + SO4-2
+	-analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3
+	-Vm 52.9
+Epsomite
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+	log_k -1.74; -delta_h 10.57 kJ
+	-analytical_expression -3.59 6.21e-3
+	Vm 147
+Hexahydrite
+	MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
+	log_k -1.57; -delta_h 2.35 kJ
+	-analytical_expression -1.978 1.38e-3
+	Vm 132
+Kieserite
+	MgSO4:H2O = Mg+2 + SO4-2 + H2O
+	log_k -1.16; -delta_h 9.22 kJ
+	-analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5
+	Vm 53.8
+Hydroxyapatite
+	Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+	-log_k -3.421
+	-delta_h -36.155 kcal
+	-Vm 128.9
+Fluorite
+	CaF2 = Ca+2 + 2 F-
+	-log_k -10.6
+	-delta_h 4.69 kcal
+	-analytic 66.348 0 -4298.2 -25.271
+	-Vm 15.7
+SiO2(a)
+	SiO2 + 2 H2O = H4SiO4
+	-log_k -2.71
+	-delta_h 3.34 kcal
+	-analytic -0.26 0 -731
+Chalcedony
+	SiO2 + 2 H2O = H4SiO4
+	-log_k -3.55
+	-delta_h 4.72 kcal
+	-analytic -0.09 0 -1032
+	-Vm 23.1
+Quartz
+	SiO2 + 2 H2O = H4SiO4
+	-log_k -3.98
+	-delta_h 5.99 kcal
+	-analytic 0.41 0 -1309
+	-Vm 22.67
+Gibbsite
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	-log_k 8.11
+	-delta_h -22.8 kcal
+	-Vm 32.22
+Al(OH)3(a)
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	-log_k 10.8
+	-delta_h -26.5 kcal
+Kaolinite
+	Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
+	-log_k 7.435
+	-delta_h -35.3 kcal
+	-Vm 99.35
+Albite
+	NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
+	-log_k -18.002
+	-delta_h 25.896 kcal
+	-Vm 101.31
+Anorthite
+	CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
+	-log_k -19.714
+	-delta_h 11.58 kcal
+	-Vm 105.05
+K-feldspar
+	KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
+	-log_k -20.573
+	-delta_h 30.82 kcal
+	-Vm 108.15
+K-mica
+	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+	-log_k 12.703
+	-delta_h -59.376 kcal
+Chlorite(14A)
+	Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+	-log_k 68.38
+	-delta_h -151.494 kcal
+Ca-Montmorillonite
+	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+	-log_k -45.027
+	-delta_h 58.373 kcal
+	-Vm 156.16
+Talc
+	Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+	-log_k 21.399
+	-delta_h -46.352 kcal
+	-Vm 68.34
+Illite
+	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+	-log_k -40.267
+	-delta_h 54.684 kcal
+	-Vm 141.48
+Chrysotile
+	Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
+	-log_k 32.2
+	-delta_h -46.8 kcal
+	-analytic 13.248 0 10217.1 -6.1894
+	-Vm 106.5808 # 277.11/2.60
+Sepiolite
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 15.76
+	-delta_h -10.7 kcal
+	-Vm 143.765
+Sepiolite(d)
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k 18.66
+Hematite
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	-log_k -4.008
+	-delta_h -30.845 kcal
+	-Vm 30.39
+Goethite
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	-log_k -1
+	-delta_h -14.48 kcal
+	-Vm 20.84
+Fe(OH)3(a)
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	-log_k 4.891
+Pyrite
+	FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+	-log_k -18.479
+	-delta_h 11.3 kcal
+	-Vm 23.48
+FeS(ppt)
+	FeS + H+ = Fe+2 + HS-
+	-log_k -3.915
+Mackinawite
+	FeS + H+ = Fe+2 + HS-
+	-log_k -4.648
+	-Vm 20.45
+Sulfur
+	S + 2 H+ + 2 e- = H2S
+	-log_k 4.882
+	-delta_h -9.5 kcal
+Vivianite
+	Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+	-log_k -36
+Pyrolusite # H2O added for surface calc's
+	MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
+	-log_k 41.38
+	-delta_h -65.11 kcal
+Hausmannite
+	Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+	-log_k 61.03
+	-delta_h -100.64 kcal
+Manganite
+	MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+	-log_k 25.34
+Pyrochroite
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	-log_k 15.2
+Halite
+	NaCl = Cl- + Na+
+	log_k 1.57
+	-delta_h 1.37
+	#-analytic -713.4616   -.1201241   37302.21    262.4583    -2106915.
+	-Vm 27.1
+Sylvite
+	KCl = K+ + Cl-
+	log_k 0.9
+	-delta_h 8.5
+	# -analytic	3.984	0.0   -919.55
+	Vm 37.5
+# Gases...
+CO2(g)
+	CO2 = CO2
+	-log_k -1.468
+	-delta_h -4.776 kcal
+	-analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
+	-T_c 304.2 # critical T, K
+	-P_c 72.86 # critical P, atm
+	-Omega 0.225 # acentric factor
+H2O(g)
+	H2O = H2O
+	-log_k 1.506; delta_h -44.03 kJ
+	-T_c 647.3; -P_c 217.6; -Omega 0.344
+	-analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
+O2(g)
+	O2 = O2
+	-log_k -2.8983
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
+H2(g)
+	H2 = H2
+	-log_k -3.105
+	-delta_h -4.184 kJ
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
+N2(g)
+	N2 = N2
+	-log_k -3.1864
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	-T_c 126.2; -P_c 33.5; -Omega 0.039
+H2S(g)
+	H2S = H+ + HS-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
+CH4(g)
+	CH4 = CH4
+	-log_k -2.8
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
+#Amm(g)
+#	Amm = Amm
+NH3(g)
+	NH3 = NH3
+	-log_k 1.7966
+	-analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192
+	-T_c 405.6; -P_c 111.3; -Omega 0.25
+# redox-uncoupled gases
+Oxg(g)
+	Oxg = Oxg
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e5
+	-T_c 154.6; -P_c 49.8; -Omega 0.021
+Hdg(g)
+	Hdg = Hdg
+	-analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
+Ntg(g)
+	Ntg = Ntg
+	-analytic -58.453 1.818e-3 3199 17.909 -27460
+	T_c 126.2; -P_c 33.5; -Omega 0.039
+Mtg(g)
+	Mtg = Mtg
+	-log_k -2.8
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c 190.6; -P_c 45.4; -Omega 0.008
+H2Sg(g)
+	H2Sg = H+ + HSg-
+	log_k -7.93
+	-delta_h 9.1
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c 373.2; -P_c 88.2; -Omega 0.1
+Melanterite
+	FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
+	-log_k -2.209
+	-delta_h 4.91 kcal
+	-analytic 1.447 -0.004153 0 0 -214949
+Alunite
+	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+	-log_k -1.4
+	-delta_h -50.25 kcal
+Jarosite-K
+	KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
+	-log_k -9.21
+	-delta_h -31.28 kcal
+Zn(OH)2(e)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	-log_k 11.5
+Smithsonite
+	ZnCO3 = Zn+2 + CO3-2
+	-log_k -10
+	-delta_h -4.36 kcal
+Sphalerite
+	ZnS + H+ = Zn+2 + HS-
+	-log_k -11.618
+	-delta_h 8.25 kcal
+Willemite 289
+	Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+	-log_k 15.33
+	-delta_h -33.37 kcal
+Cd(OH)2
+	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+	-log_k 13.65
+Otavite 315
+	CdCO3 = Cd+2 + CO3-2
+	-log_k -12.1
+	-delta_h -0.019 kcal
+CdSiO3 328
+	CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+	-log_k 9.06
+	-delta_h -16.63 kcal
+CdSO4 329
+	CdSO4 = Cd+2 + SO4-2
+	-log_k -0.1
+	-delta_h -14.74 kcal
+Cerussite 365
+	PbCO3 = Pb+2 + CO3-2
+	-log_k -13.13
+	-delta_h 4.86 kcal
+Anglesite 384
+	PbSO4 = Pb+2 + SO4-2
+	-log_k -7.79
+	-delta_h 2.15 kcal
+Pb(OH)2 389
+	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+	-log_k 8.15
+	-delta_h -13.99 kcal
+
+EXCHANGE_MASTER_SPECIES
+	X X-
+EXCHANGE_SPECIES
+	X- = X-
+	-log_k 0
+
+	Na+ + X- = NaX
+	-log_k 0
+	-gamma 4.08 0.082
+
+	K+ + X- = KX
+	-log_k 0.7
+	-gamma 3.5 0.015
+	-delta_h -4.3 # Jardine & Sparks, 1984
+
+	Li+ + X- = LiX
+	-log_k -0.08
+	-gamma 6 0
+	-delta_h 1.4 # Merriam & Thomas, 1956
+
+# !!!!!
+#	  H+ + X- = HX
+#	  -log_k  1.0
+#	  -gamma  9.0	0
+
+#	AmmH+ + X- = AmmHX
+	NH4+ + X- = NH4X
+	-log_k 0.6
+	-gamma 2.5 0
+	-delta_h -2.4 # Laudelout et al., 1968
+
+	Ca+2 + 2 X- = CaX2
+	-log_k 0.8
+	-gamma 5 0.165
+	-delta_h 7.2 # Van Bladel & Gheyl, 1980
+
+	Mg+2 + 2 X- = MgX2
+	-log_k 0.6
+	-gamma 5.5 0.2
+	-delta_h 7.4 # Laudelout et al., 1968
+
+	Sr+2 + 2 X- = SrX2
+	-log_k 0.91
+	-gamma 5.26 0.121
+	-delta_h 5.5 # Laudelout et al., 1968
+
+	Ba+2 + 2 X- = BaX2
+	-log_k 0.91
+	-gamma 4 0.153
+	-delta_h 4.5 # Laudelout et al., 1968
+
+	Mn+2 + 2 X- = MnX2
+	-log_k 0.52
+	-gamma 6 0
+
+	Fe+2 + 2 X- = FeX2
+	-log_k 0.44
+	-gamma 6 0
+
+	Cu+2 + 2 X- = CuX2
+	-log_k 0.6
+	-gamma 6 0
+
+	Zn+2 + 2 X- = ZnX2
+	-log_k 0.8
+	-gamma 5 0
+
+	Cd+2 + 2 X- = CdX2
+	-log_k 0.8
+	-gamma 0 0
+
+	Pb+2 + 2 X- = PbX2
+	-log_k 1.05
+	-gamma 0 0
+
+	Al+3 + 3 X- = AlX3
+	-log_k 0.41
+	-gamma 9 0
+
+	AlOH+2 + 2 X- = AlOHX2
+	-log_k 0.89
+	-gamma 0 0
+
+SURFACE_MASTER_SPECIES
+	Hfo_s Hfo_sOH
+	Hfo_w Hfo_wOH
+SURFACE_SPECIES
+# All surface data from
+# Dzombak and Morel, 1990
+#
+#
+# Acid-base data from table 5.7
+#
+# strong binding site--Hfo_s,
+
+	Hfo_sOH = Hfo_sOH
+	-log_k 0
+
+	Hfo_sOH + H+ = Hfo_sOH2+
+	-log_k 7.29 # = pKa1,int
+
+	Hfo_sOH = Hfo_sO- + H+
+	-log_k -8.93 # = -pKa2,int
+
+# weak binding site--Hfo_w
+
+	Hfo_wOH = Hfo_wOH
+	-log_k 0
+
+	Hfo_wOH + H+ = Hfo_wOH2+
+	-log_k 7.29 # = pKa1,int
+
+	Hfo_wOH = Hfo_wO- + H+
+	-log_k -8.93 # = -pKa2,int
+###############################################
+# CATIONS #
+###############################################
+#
+# Cations from table 10.1 or 10.5
+#
+# Calcium
+	Hfo_sOH + Ca+2 = Hfo_sOHCa+2
+	-log_k 4.97
+
+	Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
+	-log_k -5.85
+# Strontium
+	Hfo_sOH + Sr+2 = Hfo_sOHSr+2
+	-log_k 5.01
+
+	Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
+	-log_k -6.58
+
+	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+	-log_k -17.6
+# Barium
+	Hfo_sOH + Ba+2 = Hfo_sOHBa+2
+	-log_k 5.46
+
+	Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
+	-log_k -7.2 # table 10.5
+#
+# Cations from table 10.2
+#
+# Cadmium
+	Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
+	-log_k 0.47
+
+	Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
+	-log_k -2.91
+# Zinc
+	Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
+	-log_k 0.99
+
+	Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
+	-log_k -1.99
+# Copper
+	Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
+	-log_k 2.89
+
+	Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
+	-log_k 0.6 # table 10.5
+# Lead
+	Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
+	-log_k 4.65
+
+	Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
+	-log_k 0.3 # table 10.5
+#
+# Derived constants table 10.5
+#
+# Magnesium
+	Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
+	-log_k -4.6
+# Manganese
+	Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
+	-log_k -0.4 # table 10.5
+
+	Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
+	-log_k -3.5 # table 10.5
+# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
+	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+	-log_k -0.95
+# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
+	Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+	-log_k -2.98
+
+	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
+	-log_k -11.55
+###############################################
+# ANIONS #
+###############################################
+#
+# Anions from table 10.6
+#
+# Phosphate
+	Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+	-log_k 31.29
+
+	Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+	-log_k 25.39
+
+	Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
+	-log_k 17.72
+#
+# Anions from table 10.7
+#
+# Borate
+	Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
+	-log_k 0.62
+#
+# Anions from table 10.8
+#
+# Sulfate
+	Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
+	-log_k 7.78
+
+	Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
+	-log_k 0.79
+#
+# Derived constants table 10.10
+#
+	Hfo_wOH + F- + H+ = Hfo_wF + H2O
+	-log_k 8.7
+
+	Hfo_wOH + F- = Hfo_wOHF-
+	-log_k 1.6
+#
+# Carbonate: Van Geen et al., 1994 reoptimized for D&M model
+#
+	Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
+	-log_k 12.56
+
+	Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+	-log_k 20.62
+#
+# Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422.
+#
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O	; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
+
+MEAN_GAMMAS
+CaCl2    Ca+2  1  Cl-    2
+CaSO4    Ca+2  1  SO4-2  1
+CaCO3    Ca+2  1  CO3-2  1
+Ca(OH)2  Ca+2  1  OH-    2
+MgCl2    Mg+2  1  Cl-    2
+MgSO4    Mg+2  1  SO4-2  1
+MgCO3    Mg+2  1  CO3-2  1
+Mg(OH)2  Mg+2  1  OH-    2
+NaCl     Na+   1  Cl-    1
+Na2SO4   Na+   2  SO4-2  1
+NaHCO3   Na+   1  HCO3-  1
+Na2CO3   Na+   2  CO3-2  1
+NaOH     Na+   1  OH-    1
+KCl      K+    1  Cl-    1
+K2SO4    K+    2  SO4-2  1
+HCO3     K+    1  HCO3-  1
+K2CO3    K+    2  CO3-2  1
+KOH      K+    1  OH-    1
+HCl      H+    1  Cl-    1
+H2SO4    H+    2  SO4-2  1
+HBr      H+    1  Br-    1
+
+RATES
+
+###########
+#Quartz
+###########
+#
+#######
+# Example of quartz kinetic rates block:
+#	  KINETICS
+#	  Quartz
+#		  -m0  158.8	 # 90 % Qu
+#		  -parms 0.146  1.5
+#		  -step 3.1536e8 in 10
+#		  -tol 1e-12
+
+Quartz
+  -start
+1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+
+10 dif_temp = 1/TK - 1/298
+20 pk_w = 13.7 + 4700.4 * dif_temp
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
+#			  Integrate...
+50 SAVE moles * TIME
+  -end
+
+###########
+#K-feldspar
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
+# GFW Kspar 0.278 kg/mol
+#
+# Moles of Kspar per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Kspar per liter pore space 6.07x0.1	   = 0.607    kg Kspar/L pore space
+#   Moles of Kspar per liter pore space 0.607/0.278	  = 2.18	mol Kspar/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Kspar/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Kspar/sphere
+#   Moles of Kspar in sphere 1.36e-9/0.278		= 4.90e-9  mol Kspar/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
+#   Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
+#
+#
+# Example of KINETICS data block for K-feldspar rate:
+#	  KINETICS 1
+#	  K-feldspar
+#		  -m0 2.18	    # 10% Kspar, 0.1 mm cubes
+#		  -m  2.18	    # Moles per L pore space
+#		  -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
+
+K-feldspar
+ -start
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
+290 SAVE moles
+ -end
+
+
+###########
+#Albite
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Example of KINETICS data block for Albite rate:
+#	  KINETICS 1
+#	  Albite
+#		  -m0 0.46	    # 2% Albite, 0.1 mm cubes
+#		  -m  0.46	    # Moles per L pore space
+#		  -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
+#		  -time 1.5 year in 40
+#
+# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
+# GFW Albite 0.262 kg/mol
+#
+# Moles of Albite per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3	  = 6.07	kg rock/L pore space
+#   Mass of Albite per liter pore space 6.07x0.02	 = 0.121    kg Albite/L pore space
+#   Moles of Albite per liter pore space 0.607/0.262	 = 0.46	mol Albite/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3			  = 5.24e-13 m^3 Albite/sphere
+#   Mass of sphere 2600 x 5.24e-13			= 1.36e-9  kg Albite/sphere
+#   Moles of Albite in sphere 1.36e-9/0.262		  = 5.20e-9  mol Albite/sphere
+#   Surface area of one sphere 4 x pi x r^2		  = 3.14e-8  m^2/sphere
+#   Specific area of Albite in sphere 3.14e-8/5.20e-9	= 6.04 m^2/mol Albite
+
+Albite
+ -start
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
+290 SAVE moles
+ -end
+
+########
+#Calcite
+########
+# Example of KINETICS data block for calcite rate,
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
+# KINETICS 1
+# Calcite
+# -tol   1e-8
+# -m0    3.e-3
+# -m	3.e-3
+# -parms 1.67e5   0.6  # cm^2/mol calcite, exp factor
+# -time  1 day
+
+Calcite
+   -start
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
+
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
+120 rate = rate * (1 - 10^(2/3*si_cc))
+130 moles = rate * 0.001 * TIME # convert from mmol to mol
+200 SAVE moles
+   -end
+
+#######
+#Pyrite
+#######
+#
+# Williamson, M.A. and Rimstidt, J.D., 1994,
+# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
+# rate equation is mol m^-2 s^-1.
+#
+# Example of KINETICS data block for pyrite rate:
+#	  KINETICS 1
+#	  Pyrite
+#		  -tol    1e-8
+#		  -m0	5.e-4
+#		  -m	 5.e-4
+#		  -parms  0.3	0.67	.5	 -0.11
+#		  -time 1 day in 10
+Pyrite
+  -start
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
+
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
+200 SAVE moles
+  -end
+
+##########
+#Organic_C
+##########
+#
+# Example of KINETICS data block for SOC (sediment organic carbon):
+#	  KINETICS 1
+#	  Organic_C
+#		  -formula C
+#		  -tol    1e-8
+#		  -m	 5e-3   # SOC in mol
+#		  -time 30 year in 15
+Organic_C
+ -start
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
+
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+110 moles = rate * M * (M/M0) * TIME
+200 SAVE moles
+ -end
+
+###########
+#Pyrolusite
+###########
+#
+# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
+# Rate equation given as mol L^-1 s^-1
+#
+# Example of KINETICS data block for Pyrolusite
+#	  KINETICS 1-12
+#	  Pyrolusite
+#		  -tol    1.e-7
+#		  -m0	0.1
+#		  -m	 0.1
+#		  -time 0.5 day in 10
+Pyrolusite
+  -start
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
+100 REM sr_pl > 1, supersaturated
+110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
+200 SAVE moles * SOLN_VOL
+  -end
+
+#
+#  Additional definition of PHASES, RATE parameters, and RATES examples
+#
+#  RATE_PARAMETERS_PK has parameters from Palandri and Kharaka (2004). A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling. USGS Open-File Report 2004-1068.
+#
+#  RATE_PARAMETERS_SVD has two examples from Sverdrup, Oelkers, Lampa, Belyazid, Kurz, and Akselsson (2019). Reviews and Syntheses: weathering of silicate minerals in soils and watersheds: parameterization of the weathering kinetics module in the PROFILE and ForSAFE models. Biogeosciences Discuss. 1-58.
+#
+#  RATE_PARAMETERS_HERMANSKA has parameters from Hermanska, Voigt, Marieni, Declercq, and Oelkers (2022, 2023). A comprehensive and internally consistent mineral dissolution rate database: Part I: Primary silicate minerals and glasses. Chemical Geology, 597, p.120807, Part II: Secondary silicate minerals. Chemical Geology, p.121632.
+
+#
+#  Example RATES definitions and input files with KINETICS show the application in
+#  Albite_PK # Palandri and Kharaka
+#  Albite_Svd # Sverdrup
+#  Albite_Hermanska
+#  Calcite_PK # Palandri and Kharaka
+#  Calcite # Plummer, Wigley, Parkhurst 1978, AJS 278, 179-216.
+#  Quartz_PK # Palandri and Kharaka
+#  Quartz_Svd # Sverdrup
+#  Quartz_Hermanska #
+#  Quartz_Rimstidt_Barnes
+#  Montmorillonite # Na, K, Mg, Ca exchange, Hermanska rate for the TOT layer
+#
+PHASES # defined for formulas and affinities of kinetic (mostly) dissolving minerals
+#        Unless noted otherwise, data from ThermoddemV1.10_15Dec2020.dat,
+#           tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html
+
+Actinolite # Hornblende, Ferroactinolite
+Ca2(Mg2.25Fe2.5Al0.25)(Si7.75Al0.25)O22(OH)2 + 15 H+ + 7 H2O = 0.5 Al+3 + 2 Ca+2 + 2.5 Fe+2 + 2.25 Mg+2 + 7.75 H4SiO4
+	log_k 7.128
+	delta_h -181.662 #kJ/mol #19bla/lac
+	-analytic -5.0954182E3 -6.949504E-1 3.0825312E5 1.8133351E3 -1.8767155E7
+
+Almandine # (alpha)
+Fe3Al2Si3O12 + 12 H+ = 2 Al+3 + 3 Fe+2 + 3 H4SiO4
+	log_k 42.18
+	delta_h -458.683 #kJ/mol #95rob/hem
+	-analytic -3.0848427E3 -4.4981168E-1 1.9672956E5 1.0990475E3 -1.0509115E7
+
+Analcime
+Na0.99Al0.99Si2.01O6:H2O + 3.96 H+ + 1.04 H2O = 0.99 Al+3 + 0.99 Na+ + 2.01 H4SiO4
+	log_k 6.654
+	delta_h -98 #kJ/mol #04neu/hov
+	-analytic -1.3403358E3 -1.8135021E-1 8.3684586E4 4.7527556E2 -4.9476886E6
+
+Andalusite
+Al2SiO5 + 6 H+ = 2 Al+3 + H4SiO4 + H2O
+	log_k 16.206
+	delta_h -244.61 #kJ/mol #Internal calculation
+	-analytic -1.339469E3 -2.048042E-1 8.5279067E4 4.7661954E2 -4.3249835E6
+
+Andesine # defined for elemental release
+Na0.6Ca0.4Si2.6Al1.4O8 + 8 H2O = 0.6 Na+ + 0.4 Ca+2 + 2.6 H4SiO4 + 1.4 Al(OH)4-
+
+Andradite
+Ca3Fe2Si3O12 + 12 H+ = 3 Ca+2 + 2 Fe+3 + 3 H4SiO4
+	log_k 33.787
+	delta_h -327.864 #kJ/mol #Internal calculation
+	-analytic -2.9077837E3 -4.2372897E-1 1.7981493E5 1.040602E3 -9.7870213E6
+
+Anglesite
+PbSO4 = Pb+2 + SO4-2
+	log_k -7.848
+	delta_h 11.55 #kJ/mol #89cox/wag
+	-analytic -1.6531905E3 -2.6395706E-1 9.1051907E4 5.9877724E2 -5.5987833E6
+
+Annite
+KFe3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + 3 Fe+2 + K+ + 3 H4SiO4
+	log_k 32.771
+	delta_h -306.153 #kJ/mol #92cir/nav
+	-analytic -2.6382558E3 -3.7460641E-1 1.6621477E5 9.4111433E2 -9.2002058E6
+
+Anorthite
+Ca(Al2Si2)O8 + 8 H+ = 2 Al+3 + Ca+2 + 2 H4SiO4
+	log_k 24.235
+	delta_h -303.522 #kJ/mol #95rob/hem
+	-analytic -1.9788284E3 -2.9190197E-1 1.2612201E5 7.0425974E2 -6.7173266E6
+
+Anthophyllite
+Mg7Si8O22(OH)2 + 14 H+ + 8 H2O = 7 Mg+2 + 8 H4SiO4
+	log_k 73.783
+	delta_h -583.247 #kJ/mol #95rob/hem
+	-analytic -5.2321622E3 -7.0079895E-1 3.3845592E5 1.8579984E3 -1.9360477E7
+
+Antigorite
+Mg48Si34O85(OH)62 + 96 H+ = 48 Mg+2 + 34 H4SiO4 + 11 H2O
+	log_k 500.08
+	delta_h -3743.421 #kJ/mol #98hol/pow
+	-analytic -2.9383249E4 -4.0195982 1.8738549E6 1.0481455E4 -1.0123582E8
+
+# As2S3  # Orpiment # no As in phreeqc.dat
+# As2S3 + 6H2O = 2H2AsO3- + 3HS- + 5H+
+# log_k -65.110
+# delta_h 334.975 #kJ/mol        #Internal calculation
+# -analytic -2.5599772E+3 -4.2267991E-1 1.1988784E+5 9.3328822E+2 -8.0517057E+6
+
+Augite # Pyroxene(CaAl)
+CaAl(AlSi)O6 + 8 H+ = 2 Al+3 + Ca+2 + H4SiO4 + 2 H2O
+	log_k 36.234
+	delta_h -370.792 #kJ/mol #Internal calculation
+	-analytic -1.5908243E3 -2.4603865E-1 1.0453251E5 5.681931E2 -4.9909659E6
+
+Biotite # defined for elemental release
+KFe3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 H4SiO4
+
+Bronzite # defined for elemental release
+Mg0.8Fe0.2SiO3 + 2 H+ + H2O = 0.8 Mg+2 + 0.2 Fe+2 + H4SiO4
+
+Brucite
+Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+	log_k 17.112
+	delta_h -114.518 #kJ/mol #08bla
+	-analytic -3.5641635E2 -5.3167189E-2 2.4317829E4 1.2873122E2 -9.5286882E5
+
+Bytownite # defined for elemental release
+Na0.2Ca0.8Si2.2Al1.8O8 + 8 H2O = 0.2 Na+ + 0.8 Ca+2 + 2.2 H4SiO4 + 1.8 Al(OH)4-
+
+Chabazite
+Ca(Al2Si4)O12:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 H4SiO4 + 2 H2O
+	log_k 11.541
+	delta_h -200.464 #kJ/mol #08bla
+	-analytic -2.5875779E3 -3.5298441E-1 1.6180839E5 9.1700928E2 -9.5494778E6
+
+Chamosite(Daphnite)
+Fe5Al(AlSi3)O10(OH)8 + 16 H+ = 2 Al+3 + 5 Fe+2 + 3 H4SiO4 + 6 H2O
+	log_k 47.603
+	delta_h -497.518 #kJ/mol #01vid/par
+	-analytic -3.7422355E3 -5.4789298E-1 2.3185338E5 1.338448E3 -1.2120616E7
+
+Chrysotile
+Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+	log_k 33.182
+	delta_h -244.552 #kJ/mol #04eva
+	-analytic -1.8039877E3 -2.4743291E-1 1.1552931E5 6.4375706E2 -6.1763163E6
+
+Clinochlore
+Mg5Al(AlSi3)O10(OH)8 + 16 H+ = 2 Al+3 + 5 Mg+2 + 3 H4SiO4 + 6 H2O
+	log_k 61.706
+	delta_h -593.773 #kJ/mol #05vid/par
+	-analytic -3.933293E3 -5.6860144E-1 2.4698841E5 1.4055516E3 -1.2607E7
+
+Clinoptilolite(Ca)
+Ca0.55(Si4.9Al1.1)O12:3.9H2O + 4.4 H+ + 3.7 H2O = 1.1 Al+3 + 0.55 Ca+2 + 4.9 H4SiO4
+	log_k -2.085
+	delta_h -58.407 #kJ/mol #09bla
+	-analytic -2.3815518E3 -3.0085981E-1 1.4942318E5 8.390927E2 -9.6254008E6
+
+Clinoptilolite(K)
+K1.1(Si4.9Al1.1)O12:2.7H2O + 4.4 H+ + 4.9 H2O = 1.1 Al+3 + 1.1 K+ + 4.9 H4SiO4
+	log_k -1.142
+	delta_h -49.035 #kJ/mol #09bla
+	-analytic -2.3148616E3 -2.905299E-1 1.4612903E5 8.1530832E2 -9.5298429E6
+
+Clinoptilolite(Na)
+Na1.1(Si4.9Al1.1)O12:3.5H2O + 4.4 H+ + 4.1 H2O = 1.1 Al+3 + 1.1 Na+ + 4.9 H4SiO4
+	log_k -0.113
+	delta_h -50.769 #kJ/mol #09bla
+	-analytic -2.3846087E3 -2.9645291E-1 1.4988094E5 8.401942E2 -9.6738611E6
+
+Cordierite
+Mg2Al3(AlSi5)O18 + 16 H+ + 2 H2O = 4 Al+3 + 2 Mg+2 + 5 H4SiO4
+	log_k 49.433
+	delta_h -648.745 #kJ/mol #95rob/hem
+	-analytic -4.3696636E3 -6.2958321E-1 2.8022776E5 1.5507866E3 -1.5147654E7
+
+Cristobalite # (alpha)
+SiO2 + 2 H2O = H4SiO4
+	log_k -3.158
+	delta_h 18.829 #kJ/mol #04fab/sax
+	-analytic -3.544017E2 -4.1702635E-2 2.2114271E4 1.2427357E2 -1.6001472E6
+
+# Cristobalite(beta)
+# SiO2 + 2H2O = 1H4SiO4
+# log_k -3.096
+# #delta_h   0     #kJ/mol
+# -analytic -3.6088361E+2 -4.1957223E-2 2.2873339E+4 1.2628239E+2 -1.6799304E+6
+
+Dawsonite
+NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
+	log_k 4.327
+	delta_h -76.33 #kJ/mol #76fer/stu
+	-analytic -1.21599E3 -1.9110794E-1 6.8919359E4 4.3970018E2 -3.7220307E6
+
+Diaspore
+AlO(OH) + 3 H+ = Al+3 + 2 H2O
+	log_k 6.866
+	delta_h -108.76 #kJ/mol #95rob/hem
+	-analytic -4.8201662E2 -7.7930965E-2 2.9964822E4 1.7237439E2 -1.3257386E6
+
+Diopside
+CaMg(SiO3)2 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4
+	log_k 21.743
+	delta_h -153.574 #kJ/mol #Internal calculation
+	-analytic -1.332806E3 -1.8198553E-1 8.603858E4 4.749095E2 -4.8802351E6
+
+Dolomite(disordered)
+CaMg(CO3)2 + 2 H+ = 2 HCO3- + Ca+2 + Mg+2
+	log_k 4.299
+	delta_h -73.162 #kJ/mol #78hel/del,92ajoh
+	-analytic -1.7814432E3 -2.8852695E-1 9.9263747E4 6.4714027E2 -5.5533944E6
+
+Edenite # (alpha)
+Na(Ca2Mg5)(AlSi7)O22(OH)2 + 18 H+ + 4 H2O = Al+3 + 2 Ca+2 + 5 Mg+2 + Na+ + 7 H4SiO4
+	log_k 81.946
+	delta_h -679.296 #kJ/mol #97got
+	-analytic -5.4623009E3 -7.5241996E-1 3.5051336E5 1.9444511E3 -1.942E7
+
+Enstatite # (alpha)
+MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4
+	log_k 11.844
+	delta_h -93.265 #kJ/mol #78hel/del
+	-analytic -7.0139177E2 -9.4618096E-2 4.5846726E4 2.4912172E2 -2.5565294E6
+
+Epidote
+Ca2FeAl2Si3O12(OH) + 13 H+ = 2 Al+3 + 2 Ca+2 + Fe+3 + 3 H4SiO4 + H2O
+	log_k 32.23
+	delta_h -411.613 #kJ/mol #04got
+	-analytic -3.1567388E3 -4.6487997E-1 1.9676775E5 1.1260692E3 -1.0558252E7
+
+Fayalite
+Fe2SiO4 + 4 H+ = 2 Fe+2 + H4SiO4
+	log_k 19.03
+	delta_h -157.157 #kJ/mol #Internal calculation
+	-analytic -1.0258478E3 -1.4618015E-1 6.6129821E4 3.6618221E2 -3.5053712E6
+
+Ferroactinolite # = Ferrotremolite
+(Ca2Fe5)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Fe+2 + 8 H4SiO4
+	log_k 53.699
+	delta_h -412.225 #kJ/mol #Internal calculation
+	-analytic -4.942592E3 -6.6976495E-1 3.1400258E5 1.7585882E3 -1.8552107E7
+
+Fluorapatite # (Natur)
+Ca5(PO4)3F + 6 H+ = 5 Ca+2 + F- + 3 H2PO4-
+	log_k -0.91
+	delta_h -115.601 #kJ/mol #Internal calculation
+	-analytic -3.7675938E3 -6.2227437E-1 2.0719593E5 1.369906E3 -1.1775417E7
+
+Forsterite
+Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
+	log_k 28.609
+	delta_h -217.115 #kJ/mol #Internal calculation
+	-analytic -1.0983766E3 -1.5385695E-1 7.321503E4 3.91599E2 -3.7061609E6
+
+Glauconite
+(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + 7 H+ + 3 H2O = 0.5 Al+3 + 1.25 Fe+3 + 0.75 K+ + 0.25 Mg+2 + 3.75 H4SiO4 + 0.25 Fe+2
+	log_k 1.873
+	delta_h -120.903 #kJ/mol #15bla/vie
+	-analytic -2.3976207E3 -3.2091227E-1 1.4807364E5 8.4865741E2 -9.0151175E6
+
+Glaucophane
+Na2(Mg3Al2)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Al+3 + 3 Mg+2 + 2 Na+ + 8 H4SiO4
+	log_k 37.026
+	delta_h -378.727 #kJ/mol #95rob/hem
+	-analytic -5.095188E3 -6.8518568E-1 3.2040873E5 1.8087612E3 -1.9006796E7
+
+Grossular
+Ca3Al2Si3O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 H4SiO4
+	log_k 49.372
+	delta_h -442.383 #kJ/mol #95rob/hem
+	-analytic -2.9566754E3 -4.3410622E-1 1.8868769E5 1.057027E3 -1.0038715E7
+# Hornblende # see Actinolite, Edenite, Pargasite, Ferroactinolite
+
+Heulandite(Ca)
+Ca1.07Al2.14Si6.86O18:6.17H2O + 8.56 H+ + 3.27 H2O = 2.14 Al+3 + 1.07 Ca+2 + 6.86 H4SiO4
+	log_k 2.457
+	delta_h -139.108 #kJ/mol #09bla
+	-analytic -3.7607701E3 -5.0483789E-1 2.3083824E5 1.3337643E3 -1.4294418E7
+
+# Ilmenite # Ti not in phreeqc.dat
+# FeTiO3 + 2H+ + 1H2O = 1Fe+2 + 1Ti(OH)4
+# log_k 1.816
+# delta_h -87.445 #kJ/mol        #Internal calculation
+# -analytic -7.7719505E+2 -8.1479565E-2 4.34898E+4 2.7302259E+2 -1.612373E+6
+
+Heulandite(Na)
+Na2.14Al2.14Si6.86O18:6.17H2O + 8.56 H+ + 3.27 H2O = 2.14 Al+3 + 2.14 Na+ + 6.86 H4SiO4
+	log_k 2.797
+	delta_h -126.775 #kJ/mol #09bla
+	-analytic -3.7890714E3 -4.9720069E-1 2.3269508E5 1.3423841E3 -1.4400431E7
+
+Jadeite
+NaAl(SiO3)2 + 4 H+ + 2 H2O = Al+3 + Na+ + 2 H4SiO4
+	log_k 7.561
+	delta_h -95.502 #kJ/mol #95rob/hem
+	-analytic -1.3237509E3 -1.8118316E-1 8.2628986E4 4.7016122E2 -4.9060741E6
+
+Kyanite
+Al2SiO5 + 6 H+ = 2 Al+3 + H4SiO4 + H2O
+	log_k 15.936
+	delta_h -240.322 #kJ/mol #Internal calculation
+	-analytic -1.3447799E3 -2.0581745E-1 8.5324148E4 4.7877192E2 -4.3369481E6
+
+Labradorite # defined for elemental release
+Na0.4Ca0.6Si2.4Al1.6O8 + 8 H2O = 0.4 Na+ + 0.6 Ca+2 + 2.4 H4SiO4 + 1.6 Al(OH)4-
+
+Larnite(alpha)
+Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4
+	log_k 39.044
+	delta_h -238.161 #kJ/mol #95rob/hem
+	-analytic -8.9908942E2 -1.301379E-1 6.3335055E4 3.2296168E2 -3.0793446E6
+
+Larnite(beta)
+Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4
+	log_k 39.322
+#delta_h 0 #kJ/mol
+	-analytic -9.0365527E2 -1.3027777E-1 6.4015139E4 3.243254E2 -3.1477489E6
+
+Larnite(gamma)
+Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4
+	log_k 41.444
+#delta_h 0 #kJ/mol
+	-analytic -8.7896206E2 -1.2907359E-1 6.3430487E4 3.1585123E2 -3.1477489E6
+
+Laumontite
+Ca(Al2Si4)O12:4H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 H4SiO4
+	log_k 11.695
+	delta_h -204.244 #kJ/mol #96kis/nav
+	-analytic -2.6447429E3 -3.6684244E-1 1.6419074E5 9.3900001E2 -9.6343473E6
+
+Leonhardtite
+MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O
+	log_k -0.886
+	delta_h -24.03 #kJ/mol #74nau/ryz
+	-analytic -1.8009396E3 -2.6450971E-1 9.9216758E4 6.5010323E2 -5.5554353E6
+
+Leucite # minteq.dat
+KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+
+	log_k 6.423
+	delta_h -22.085 kcal
+
+Lizardite
+Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+	log_k 33.093
+	delta_h -242.552 #kJ/mol #04eva
+	-analytic -1.8045338E3 -2.475614E-1 1.1546724E5 6.4405193E2 -6.1786442E6
+
+Magnetite
+Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+	log_k 10.362
+	delta_h -215.594 #kJ/mol #90hem
+	-analytic -1.3520774E3 -2.1498134E-1 8.0017747E4 4.8502632E2 -3.7344997E6
+
+Microcline
+K(AlSi3)O8 + 4 H+ + 4 H2O = Al+3 + K+ + 3 H4SiO4
+	log_k 0.015
+	delta_h -49.203 #kJ/mol #95rob/hem
+	-analytic -1.6018728E3 -2.1339241E-1 9.9207574E4 5.6723025E2 -6.2943433E6
+
+Montmorillonite(HcCa)
+Ca0.3Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.3 Ca+2 + 0.6 Mg+2 + 4 H4SiO4
+	log_k 6.903
+	delta_h -154.564 #kJ/mol #15bla/vie
+	-analytic -2.3616529E3 -3.1379357E-1 1.4899818E5 8.3431323E2 -9.0744862E6
+
+Montmorillonite(HcK)
+K0.6Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.6 K+ + 0.6 Mg+2 + 4 H4SiO4
+	log_k 4.449
+	delta_h -119.628 #kJ/mol #15bla/vie
+	-analytic -2.3324885E3 -3.0832834E-1 1.4605682E5 8.2462838E2 -9.022722E6
+
+Montmorillonite(HcMg)
+Mg0.3Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.9 Mg+2 + 4 H4SiO4
+	log_k 5.996
+	delta_h -156.964 #kJ/mol #15bla/vie
+	-analytic -2.3909331E3 -3.1726069E-1 1.5070041E5 8.4429278E2 -9.163021E6
+
+Montmorillonite(HcNa)
+Na0.6Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.6 Mg+2 + 0.6 Na+ + 4 H4SiO4
+	log_k 5.472
+	delta_h -135.658 #kJ/mol #15bla/vie
+	-analytic -2.3671642E3 -3.1193536E-1 1.486659E5 8.3634354E2 -9.1085654E6
+
+Montmorillonite(MgCa)
+Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.17 Ca+2 + 0.34 Mg+2 + 4 H4SiO4
+	log_k 4.222
+	delta_h -146.668 #kJ/mol #15bla/vie
+	-analytic -2.3648299E3 -3.1580182E-1 1.4861699E5 8.3532612E2 -9.0862785E6
+
+Montmorillonite(MgK)
+K0.34Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.34 K+ + 0.34 Mg+2 + 4 H4SiO4
+	log_k 2.83
+	delta_h -126.865 #kJ/mol #15bla/vie
+	-analytic -2.3483045E3 -3.1270489E-1 1.4694997E5 8.2983827E2 -9.056946E6
+
+Montmorillonite(MgMg)
+Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.51 Mg+2 + 4 H4SiO4
+	log_k 3.708
+	delta_h -148.028 #kJ/mol #15bla/vie
+	-analytic -2.3814282E3 -3.1776702E-1 1.4958186E5 8.4098328E2 -9.1364559E6
+
+Montmorillonite(MgNa)
+Na0.34Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.34 Mg+2 + 0.34 Na+ + 4 H4SiO4
+	log_k 3.411
+	delta_h -135.953 #kJ/mol #15bla/vie
+	-analytic -2.3679565E3 -3.1474933E-1 1.4842879E5 8.3647775E2 -9.1055977E6
+
+MordeniteB # (Ca)
+Ca0.515Al1.03Si4.97O12:3.1H2O + 4.12 H+ + 4.78 H2O = 1.03 Al+3 + 0.515 Ca+2 + 4.97 H4SiO4
+	log_k -2.898
+	delta_h -56.278 #kJ/mol #09bla
+	-analytic -2.3577543E3 -2.9682032E-1 1.4847577E5 8.2993876E2 -9.6241393E6
+
+MordeniteJ
+Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + 3.76 H+ + 4.772 H2O = 0.94 Al+3 + 0.289 Ca+2 + 0.362 Na+ + 5.06 H4SiO4
+	log_k -4.16
+	delta_h -29.442 #kJ/mol #92joh/tas
+	-analytic -2.3112502E3 -2.9430315E-1 1.4403365E5 8.1541676E2 -9.418252E6
+
+Muscovite # (ordered)
+KAl2(AlSi3)O10(OH)2 + 10 H+ = 3 Al+3 + K+ + 3 H4SiO4
+	log_k 11.353
+	delta_h -253.923 #kJ/mol #06bla/pia
+	-analytic -2.5862792E3 -3.7607072E-1 1.5907562E5 9.2024545E2 -8.9668534E6
+
+Natrolite
+Na2(Al2Si3)O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 H4SiO4
+	log_k 19.326
+	delta_h -215.463 #kJ/mol #83joh/flo
+	-analytic -2.303612E3 -3.1993458E-1 1.4352482E5 8.1980235E2 -8.1431211E6
+
+Nepheline
+Na(AlSi)O4 + 4 H+ = Al+3 + Na+ + H4SiO4
+	log_k 14.077
+	delta_h -144.506 #kJ/mol #Internal calculation
+	-analytic -9.7409139E2 -1.3955693E-1 6.2423687E4 3.467383E2 -3.3400695E6
+
+Oligoclase # defined for elemental release
+Na0.8Ca0.2Si2.8Al1.2O8 + 8 H2O = 0.8 Na+ + 0.2 Ca+2 + 2.8 H4SiO4 + 1.2 Al(OH)4-
+
+Palygorskite # defined for elemental release
+Mg2Al2Si8O20(OH)2:8H2O + 10 H+ + 2 H2O = 2 Mg+2 + 2 Al+3 + 8 H4SiO4
+
+Paragonite
+NaAl2(AlSi3)O10(OH)2 + 10 H+ = 3 Al+3 + Na+ + 3 H4SiO4
+	log_k 16.804
+	delta_h -294.623 #kJ/mol #96rou/hov
+	-analytic -2.6452559E3 -3.8247258E-1 1.64246E5 9.4070011E2 -9.1107641E6
+
+Pargasite # Hornblende
+Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 + 22 H+ = 3 Al+3 + 2 Ca+2 + 4 Mg+2 + Na+ + 6 H4SiO4
+	log_k 104.557
+	delta_h -940.614 #kJ/mol #Internal calculation
+	-analytic -5.7962939E3 -8.2700886E-1 3.7555969E5 2.0652064E3 -1.9772394E7
+
+Phlogopite
+KMg3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 H4SiO4
+	log_k 41.098
+	delta_h -353.123 #kJ/mol #92cir/nav
+	-analytic -2.7194067E3 -3.8106546E-1 1.7318081E5 9.69566E2 -9.4102646E6
+
+Prehnite
+Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 H4SiO4
+	log_k 32.596
+	delta_h -339.617 #kJ/mol #98cha/kru
+	-analytic -2.6255465E3 -3.8041883E-1 1.6586587E5 9.3642007E2 -9.0549681E6
+
+Pyrophyllite
+Al2Si4O10(OH)2 + 6 H+ + 4 H2O = 2 Al+3 + 4 H4SiO4
+	log_k -0.418
+	delta_h -128.924 #kJ/mol #95rob/hem
+	-analytic -2.3595061E3 -3.237303E-1 1.4585394E5 8.3524091E2 -8.9193526E6
+
+Pyrrhotite(Hx) # Pyrrhotite
+FeS + H+ = Fe+2 + HS-
+	log_k -3.679
+	delta_h -10.009 #kJ/mol #05wal/pel
+	-analytic -1.1321823E3 -1.8235764E-1 6.1304821E4 4.1103628E2 -3.5403537E6
+
+Pyrrhotite(Mc) # Pyrrhotite
+FeS + H+ = Fe+2 + HS-
+	log_k -3.679
+	delta_h -10.009 #kJ/mol #05wal/pel
+	-analytic -1.1321823E3 -1.8235764E-1 6.1304821E4 4.1103628E2 -3.5403537E6
+
+Rhyolite # a mixture of minerals, defined for elemental release...
+Na0.078K0.046Al0.26Si1.23O2.912 + 3.048 H2O = 0.136 H+ + 0.078 Na+ + 0.046 K+ + 0.26 Al(OH)4- + 1.23 H4SiO4
+
+Riebeckite
+Na2(Fe3Fe2)Si8O22(OH)2 + 14 H+ + 8 H2O = 3 Fe+2 + 2 Na+ + 8 H4SiO4 + 2 Fe+3
+	log_k 9.199
+	delta_h -197.377 #kJ/mol #98hol/pow
+	-analytic -5.0079102E3 -6.7170777E-1 3.0608951E5 1.7785742E3 -1.8686839E7
+
+Saponite(Ca)
+Ca0.17Mg3Al0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 0.17 Ca+2 + 3 Mg+2 + 3.66 H4SiO4
+	log_k 29.355
+	delta_h -262.766 #kJ/mol #15bla/vie
+	-analytic -2.5667428E3 -3.4039957E-1 1.6475488E5 9.099285E2 -9.472597E6
+
+Saponite(FeCa)
+Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 0.17 Ca+2 + Fe+2 + 2 Mg+2 + 3.66 H4SiO4
+	log_k 26.569
+	delta_h -250.636 #kJ/mol #15bla/vie
+	-analytic -2.5356344E3 -3.373844E-1 1.6236385E5 8.9871835E2 -9.386812E6
+
+Saponite(FeK)
+K0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 0.34 K+ + 2 Mg+2 + 3.66 H4SiO4
+	log_k 25.398
+	delta_h -232.093 #kJ/mol #15bla/vie
+	-analytic -2.515955E3 -3.3384661E-1 1.6058454E5 8.9209651E2 -9.3470003E6
+
+Saponite(FeMg)
+Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 2.17 Mg+2 + 3.66 H4SiO4
+	log_k 26.022
+	delta_h -251.806 #kJ/mol #15bla/vie
+	-analytic -2.5507675E3 -3.3914471E-1 1.6323608E5 9.0384868E2 -9.4321235E6
+
+Saponite(FeNa)
+Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 2 Mg+2 + 0.34 Na+ + 3.66 H4SiO4
+	log_k 25.896
+	delta_h -240.711 #kJ/mol #15bla/vie
+	-analytic -2.5368817E3 -3.3606965E-1 1.6211086E5 8.9919435E2 -9.3999007E6
+
+Saponite(K)
+K0.33Mg3Al0.33Si3.67O10(OH)2 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 H4SiO4
+	log_k 27.43
+	delta_h -239.483 #kJ/mol #15bla/vie
+	-analytic -2.544416E3 -3.3629993E-1 1.6263915E5 9.0231366E2 -9.4312976E6
+
+Saponite(Mg)
+Mg0.17Mg3Al0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 3.17 Mg+2 + 3.66 H4SiO4
+	log_k 28.81
+	delta_h -263.946 #kJ/mol #15bla/vie
+	-analytic -2.5818719E3 -3.4215988E-1 1.6562747E5 9.1505763E2 -9.5179085E6
+
+Saponite(Na)
+Na0.33Mg3Al0.33Si3.67O10(OH)2 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 3 Mg+2 + 0.33 Na+ + 3.67 H4SiO4
+	log_k 27.971
+	delta_h -248.219 #kJ/mol #15bla/vie
+	-analytic -2.5647603E3 -3.3846001E-1 1.6414122E5 9.0921188E2 -9.482682E6
+
+Saponite(SapCa)
+(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.055)O10(OH)2 + 7.724 H+ + 2.276 H2O = 0.397 Al+3 + 0.038 Ca+2 + 0.034 Fe+3 + 0.021 K+ + 2.949 Mg+2 + 0.394 Na+ + 3.569 H4SiO4 + 0.021 Fe+2
+	log_k 31.473
+	delta_h -277.172 #kJ/mol #13gai/bla
+	-analytic -2.5790231E3 -3.508959E-1 1.6429225E5 9.168404E2 -9.2969386E6
+
+Scolecite
+CaAl2Si3O10:3H2O + 8 H+ = 2 Al+3 + Ca+2 + 3 H4SiO4 + H2O
+	log_k 16.647
+	delta_h -233.213 #kJ/mol #83joh/flo
+	-analytic -2.3692738E3 -3.4026162E-1 1.4623007E5 8.4431312E2 -8.2035956E6
+
+Smectite # (MX80)
+Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2 + 7.048 H+ + 2.952 H2O = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2
+	log_k 5.278
+	delta_h -175.308 #kJ/mol #12gai/bla
+	-analytic -2.4267042E3 -3.3712249E-1 1.5038583E5 8.6021197E2 -8.9284687E6
+
+Smectite(MX80:3.989H2O)
+Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:3.989H2O + 7.048 H+ = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2 + 1.037 H2O
+	log_k 1.774
+	delta_h -148.524 #kJ/mol #12gai/bla
+	-analytic -2.3838609E3 -3.2232449E-1 1.4844358E5 8.4261556E2 -8.9910004E6
+
+Smectite(MX80:5.189H2O)
+Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:5.189H2O + 7.048 H+ = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2 + 2.237 H2O
+	log_k 1.435
+	delta_h -140.43 #kJ/mol #12gai/bla
+	-analytic -2.3706061E3 -3.2008903E-1 1.4737914E5 8.3812012E2 -8.9524821E6
+
+Spodumene # from core10.dat
+LiAlSi2O6 + 4 H+ + 2 H2O = Al+3 + Li+ + 2 H4SiO4
+	log_k 6.9972
+	delta_h -89.1817
+	-analytic -9.8111 2.1191e-3 9.692e3 -3.0484 -7.8822e5
+	-Vm 58.37
+
+Staurolite
+Fe2Al9Si4O23(OH) + 31 H+ = 9 Al+3 + 2 Fe+2 + 4 H4SiO4 + 8 H2O
+	log_k 216.34
+	delta_h -1956.484 #kJ/mol #87woo/gar
+	-analytic -6.5297334E3 -1.0061427 4.5225123E5 2.3281295E3 -2.0588442E7
+
+Stilbite
+NaCa2(Al5Si13)O36:16H2O + 20 H+ = 5 Al+3 + 2 Ca+2 + Na+ + 13 H4SiO4
+	log_k 23.044
+	delta_h -403.823 #kJ/mol #01fri/neu
+	-analytic -7.4700792E3 -1.0099722 4.6170528E5 2.6510812E3 -2.7934606E7
+
+Thomsonite # defined for elemental release
+Na0.5CaAl2.5Si2.5O10:3H2O + 10 H+ = 2.5 Al+3 + 0.5 Na+ + Ca+2 + 2.5 H4SiO4 + 3 H2O
+
+Tourmaline # defined for elemental release
+NaFe1.5Mg1.5Al6B3Si6O27(OH)4 + 26 H2O + H+ = Na+ + 1.5 Fe+2 + 1.5 Mg+2 + 6 Al(OH)4- + 3 H3BO3 + 6 H4SiO4
+
+Tremolite
+(Ca2Mg5)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
+	log_k 67.281
+	delta_h -502.247 #kJ/mol #95rob/hem
+	-analytic -5.0977019E3 -6.8545317E-1 3.2680746E5 1.8129659E3 -1.8919407E7
+
+# Uraninite
+#        UO2 + 4 H+ = U+4 + 2 H2O
+#        log_k          -3.490
+#        delta_h        -18.630 kcal
+
+Wollastonite
+CaSiO3 + 2 H+ + H2O = Ca+2 + H4SiO4
+	log_k 14.047
+	delta_h -85.986 #kJ/mol #78hel/del,92ajoh
+	-analytic -6.3184784E2 -8.6944016E-2 4.1722732E4 2.2563038E2 -2.3494013E6
+
+Zoisite
+Ca2Al3Si3O12(OH) + 13 H+ = 3 Al+3 + 2 Ca+2 + 3 H4SiO4 + H2O
+	log_k 43.848
+	delta_h -485.113 #kJ/mol #01sme/fra
+	-analytic -3.1722373E3 -4.6912132E-1 2.0150433E5 1.1315082E3 -1.0643978E7
+
+RATE_PARAMETERS_PK
+#               Acid                    Neutral         Base
+#               log K   E       n(H+)   log K   E       log K   E       n(OH-)
+#               ================================================================
+Quartz          -30     0       0       -13.4   90.9    -30     0       0       # Table 4
+#
+SiO2(a)         -30     0       0       -12.31  76      -30     0       0       # Table 6
+Cristobalite    -30     0       0       -12.31  65      -30     0       0
+#
+Albite          -10.16  65      0.317   -12.56  65      -15.6   66.5    -0.471  # Table 1
+Oligoclase      -9.67   65      0.457   -11.84  69.8    -30     0       0       # Table 13
+Andesine        -8.88   53.5    0.541   -11.47  57.4    -30     0       0
+Labradorite     -7.87   42.1    0.626   -10.91  45.2    -30     0       0
+Bytownite       -5.85   29.3    1.018   -9.82   31.5    -30     0       0
+Anorthite       -3.5    16.6    1.411   -9.12   17.8    -30     0       0
+#
+K-feldspar      -10.06  51.7    0.5     -12.41  38      -21.2   94.1    -0.823  # Table 15
+#
+Nepheline       -2.73   62.9    1.13    -8.56   65.4    -10.76  37.8    -0.2    # Table 18
+Leucite         -6      132.2   0.7     -9.2    75.5    -10.66  56.6    -0.2
+#
+Forsterite      -6.85   67.2    0.47    -10.64  79      -30     0       0       # Table 23
+Fayalite        -4.8    94.4    0       -12.8   94.4    -30     0       0
+Almandine       -5.2    94.4    1       -10.7   103.8   -13.71  37.8    -0.35
+Grossular       -5.1    85      1       -10.7   103.8   -30     0       0
+Andradite       -5.2    94.4    1       -10.7   103.8   -30     0       0
+Kyanite         -10.17  -53.9   1.268   -17.44  53.9    -30     0       0
+Staurolite      -6.9    18.9    1       -12.2   56.6    -14.9   47.2    -0.3
+Epidote         -10.6   71.1    0.338   -11.99  70.7    -17.33  79.1    -0.556
+Zoisite         -7.5    66.1    0.5     -11.2   66.1    -30     0       0
+#
+Cordierite      -3.8    113.3   1       -11.2   28.3    -30     0       0       # Table 25
+Tourmaline      -6.5    75.5    1       -11.2   85      -30     0       0
+#
+augite          -6.82   78      0.7     -11.97  78      -30     0       0       # Table 26
+bronzite        -8.3    47.2    0.65    -11.7   66.1    -30     0       0
+diopside        -6.36   96.1    0.71    -11.11  40.6    -30     0       0
+enstatite       -9.02   80      0.6     -12.72  80      -30     0       0
+jadeite         -6      132.2   0.7     -9.5    94.4    -30     0       0
+spodumene       -4.6    94.4    0.7     -9.3    66.1    -30     0       0
+wollastonite    -5.37   54.7    0.4     -8.88   54.7    -30     0       0
+#
+anthophyllite   -11.94  51      0.44    -14.24  51      -30     0       0       # Table 27
+glaucophane     -5.6    85      0.7     -10.1   94.4    -30     0       0
+hornblende      -7      75.5    0.6     -10.3   94.4    -30     0       0
+riebeckite      -7.7    56.6    0.7     -12.2   47.2    -30     0       0
+tremolite       -8.4    18.9    0.7     -10.6   94.4    -30     0       0
+#
+biotite         -9.84   22      0.525   -12.55  22      -30     0       0       # Table 28
+glauconite      -4.8    85      0.7     -9.1    85      -30     0       0
+muscovite       -11.85  22      0.37    -13.55  22      -14.55  22      -0.22
+muscovite       -30     0       0       -13     22      -30     0       0
+paragonite      -30     0       0       -13     22      -30     0       0
+phlogopite      -30     0       0       -12.4   29      -30     0       0
+pyrophyllite    -30     0       0       -12.4   29      -30     0       0
+#
+kaolinite       -11.31  65.9    0.777   -13.18  22.2    -17.05  17.9    -0.472  # Table 29
+montmorillonite -12.71  48      0.22    -14.41  48      -14.41  48      -0.13   # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2. 
+smectite        -10.98  23.6    0.34    -12.78  35      -16.52  58.9    -0.4    # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4. 
+#
+lizardite       -5.7    75.5    0.8     -12.4   56.6    -30     0       0       # Table 30
+chrysotile      -30     0       0       -12     73.5    -13.58  73.5    -0.23
+chlorite(14A)   -11.11  88      0.5     -12.52  88      -30     0       0
+talc            -30     0       0       -12     42      -30     0       0
+prehnite        -10.66  80.5    0.256   -13.16  93.4    -14.86  93.4    -0.2
+#
+goethite        -30     0       0       -7.94   86.5    -30     0       0       # Table 31
+hematite        -9.39   66.2    1       -14.6   66.2    -30     0       0
+magnetite       -8.59   18.6    0.279   -10.78  18.6    -30     0       0
+ilmenite        -8.35   37.9    0.421   -11.16  37.9    -30     0       0
+uraninite       -30     0       0       -7.98   32      -30     0       0
+#
+brucite         -4.73   59      0.5     -8.24   42      -30     0       0       # Table 32
+gibbsite        -7.65   47.5    0.992   -11.5   61.2    -16.65  80.1    -0.784
+diaspore        -30     0       0       -13.33  47.5    -23.6   47.5    -1.503
+#
+anglesite       -5.58   31.3    0.298   -6.5    31.3    -30     0       0       # Table 34
+anhydrite       -30     0       0       -3.19   14.3    -30     0       0
+gypsum          -30     0       0       -2.79   0       -30     0       0
+barite          -6.9    30.8    0.22    -7.9    30.8    -30     0       0
+celestite       -5.66   23.8    0.109   -30     0       -30     0       0
+#
+hydroxyapatite  -4.29   250     0.171   -6      250     -30     0       0       # Table 36
+fluorapatite    -3.73   250     0.613   -8      250     -30     0       0
+#
+halite          -30     0       0       -0.21   7.4     -30     0       0       # Table 37
+fluorite        -7.14   73      1       -13.79  73      -30     0       0
+#
+#               Acid                    Neutral         P_CO2
+#               log K   E       n(H+)   log K   E       log K   E       n(P_CO2)        Table
+#               ================================================================================
+calcite         -0.3    14.4    1       -5.81   23.5    -3.48   35.4    1               33      # specify Table number for P_CO2^n(P_CO2)
+dawsonite       -30     0       0       -7      62.8    -30     0       0               33
+dolomite(d)     -3.19   36.1    0.5     -7.53   52.2    -5.11   34.8    0.5             33
+dolomite        -3.76   56.7    0.5     -8.6    95.3    -5.37   45.7    0.5             33
+magnesite       -6.38   14.4    1       -9.34   23.5    -5.22   62.8    1               33
+#
+#               Acid and Fe+3                           Neutral and O2                  Base
+#               log K   E       n(H+)   n(Fe+3) log K   E       n(O2)   log K   E       n(OH-)  Table
+#               =========================================================================================
+pyrite          -7.52   56.9    -0.5    0.5     -4.55   56.9    0.5     -30     0       0       35      # specify Table number for Fe+3 and O2
+pyrrhotite(Mc)  -8.04   50.8    -0.597  0.355   -30     0       0       -30     0       0       35
+pyrrhotite(Hx)  -6.79   63      -0.09   0.356   -30     0       0       -30     0       0       35
+As2S3(a)        -30     0       0       0       -9.83   8.7     0.18    -17.39  8.7     -1.208  35
+
+RATE_PARAMETERS_SVD
+#               Table 4: E's                                    Table 3: H+-reaction                            H2O-reaction                                            CO2-reaction    Organic_acids           OH--reaction                                                            Table 5
+#               H+      H2O     CO2     Organic acids   OH-     pkH     nH      yAl     CAl     xBC     CBC     pkH2O   yAl     CAl     xBC     CBC     zSi     CSi     pkCO2   nCO2    pkOrg   nOrg    COrg    pkOH-   wOH-    yAl     CAl     xBC     CBC     zSi     CSi     #       Num     Mineral Formula
+#               =================================================================================================================================================================================================================================================================================================
+Albite          3350    2500    1680    1200            3100    14.6    0.5     0.4     0.4     0.4     0.5     16.8    0.15    4       0.15    200     3       900     16.05   0.6     14.7    0.5     5       15.4    0.3     0.1     12      0.5     5       3       900     #       1.6     Albite  NaAlSi3O8
+Quartz          3890    0       2200    2000            3320    18.4    0.3     0.3     5       0       500     17.8    0       5       0       5000    4       900     18      0.5     16.3    0.5     5       14.1    0.3     0.4     200     0       5000    1       900     #       8.3     Quartz  SiO2
+
+
+RATE_PARAMETERS_HERMANSKA
+#               Acid mechanism                          Neutral mechanism       Basic mechanism
+#               logk25  Aa              Eaa     n(H+)   logk25  Ab              Eab     logk25  Ac              Eac     n(OH)   #       Formula
+#               ================================================================================================================================
+# Amphiboles
+Anthophyllite   -12.4   5.70E-04        52      0.4     -13.7   5.00E-06        48      0       0               0       0
+Ferroactinolite -11.3   3.00E-03        50      0.2     -13.1   2.00E-05        48      0       0               0       0
+Riebeckite      -11.3   3.00E-03        50      0.2     -13.1   2.00E-05        48      0       0               0       0
+Tremolite       -11.3   3.00E-03        50      0.2     -13.1   2.00E-05        48      0       0               0       0
+Glaucophane     -6.1    2.20E+02        50      0.7     0       0               0       -12.8   1.00E-04        48      -0.1    #       Na0.14K0.09Ca2Fe1.78Mg2Al2Si7O22(OH)2
+Hornblende      -10.7   5.00E-03        50      0.2     0       0               0       -13.4   2.10E-05        48      -0.1    #       Ca2Mg4Al0.75Fe0.25(Si7AlO22)(OH)2
+# Feldspars
+Albite          -10.32  0.7             58      0.3     -11.19  0.21            60      -13.58  1.50E-05        50      -0.3
+Andesine        -7.99   147             58      0.7     -11.23  0.19            60      -13.58  1.50E-05        50      -0.3
+Anorthite       -5.17   9.80E+04        58      1.2     -11.34  0.15            60      -13.58  1.50E-05        50      -0.3
+Bytownite       -5.88   1.90E+04        58      1.1     -11.28  0.17            60      -13.58  1.50E-05        50      -0.3
+K-feldspar      -10.36  5.00E-02        51.7    0.5     -12.48  1.10E-02        60      -20.78  1.20E-10        62      -0.8    #       or Microcline
+Labradorite     -6.39   5.90E+03        58      1       -11.28  0.17            60      -13.58  1.50E-05        50      -0.3
+Oligoclase      -9.33   6.8             58      0.4     -11.21  0.2             60      -13.58  1.50E-05        50      -0.3
+# Glass
+Rhyolite        -9.1    1.60E-03        36      0.5     0       0               0       -16.27  7.00E-08        52      -0.6
+# Mica                                                                                                                          #       Also valid for
+Annite          -9.42   5.90E-07        18.2    0.5     -12.2   5.00E-09        22      -13.9   4.00E-10        25.5    -0.2    #       Biotite, Phlogopite
+Muscovite       -11.1   1.26E-04        41.3    0.4     -12.1   6.31E-06        39      -14.5   3.16E-05        57      -0.2
+# Olivines
+Fayalite        -6.26   1.20E+06        70.4    0.4     0       0               0       -7.39   1.91E+03        60.9    0.2
+Forsterite      -7.16   1.48E+05        70.4    0.4     0       0               0       -8.33   2.20E+02        60.9    0.2
+Larnite         -3.61   5.25E+08        70.4    0.4     0       0               0       -4.75   8.25E+05        60.9    0.2
+# Pyroxenes
+Augite          -8.2    1.52E+06        81.8    0.7     -12.8   350             83      0       0               0       0
+Bronzite        -9.8    9.50E-04        38.5    0.6     -11.7   7.60E-01        66.1    0       0               0       0
+Diopside        -9.8    8.55E-05        32.7    0.3     -11.01  4.30E-05        43.9    0       0               0       0
+Enstatite       -8.3    0.574           46.1    0.5     -11.9   6.30E+03        89.5    0       0               0       0
+# SiO2  polymorphs
+Quartz          -11.4   4.03E-04        45.6    0.3     0       0               0       -15     0.105           80      -0.4    #       Cristobalite
+SiO2(a)         -10.6   4.56E-04        41.6    0.3     0       0               0       -14.2   3.53E-02        73      -0.4
+
+# 2023, Table 1                                                                                                                         Also valid for
+Almandine       -5.21   2.00E+05        60      1       -11.2   2.31E-04        43.2    -14.6   6.00E-08        42.3    -0.4    #       Grossular
+Analcime        -3.3    5.00E+07        63      1       -11.3   1.00E-01        58.5    -14.3   7.50E-05        58      -0.4    #       Nepheline
+Andalusite      -10.57  3.90E-01        60      0.15    -12.61  8.00E-03        43.2    -22.82  8.80E-15        42.3    -1.2
+Andradite       -5.1    2.60E+05        60      1       -11.1   3.20E-04        43.2    0       0               0       0
+Antigorite      -10.3   2.80E-06        27      0.25    -12.4   2.00E-08        27      0       0               0       0       #       Chrysotile, Lizardite
+Chabazite       -6.56   2.21E-01        33.7    0.82    -11.55  1.56E-04        44.2    -12.05  4.94E-05        44.2    -0.2    #       Laumontite, Leonhardite
+Clinochlore     -9.08   1.50E-04        30      0.74    -13     4.70E-11        15      -14.3   2.00E-12        15      -0.2    #       Chamosite, Daphnite
+Clinoptilolite  -7.51   2.48E-02        33.7    0.82    -12.6   1.39E-05        44.2    -13.2   3.50E-06        44.2    -0.2    #       Heulandite, Mordenite, Stilbite
+Epidote         -10.47  1.09            60      0.3     -11.9   5.13E-05        43.2    -16.3   1.40E-09        42.3    -0.4    #       Zoisite
+Glauconite      -11.68  9.55E-07        32.3    0.37    -13.53  1.10E-07        37.5    0       0               0       0
+Illite          -11.9   7.30E-04        50      0.55    -14.68  3.84E-03        70      -20.19  6.00E-08        74      -0.6
+Jadeite         -6.68   25              46.1    0.5     -10.26  2.70E+05        89.5    0       0               0       0
+Kaolinite       -12.3   2.85            73      0.45    -14.1   4.15E-03        67      -21.3   2.40E-11        61      -0.76
+Kyanite         -11.1   1.15E-01        60      0.15    -13.5   1.00E-03        43.2    -21.6   1.50E-13        50      -1
+Mesolite        -5.61   1.97E+00        33.7    0.82    -10.7   1.11E-03        44.2    -11     5.54E-04        44.2    -0.2    #       Natrolite, Scolecite, Thomsonite
+Montmorillonite -11.7   1.66E-03        50.8    0.55    -14.3   9.00E-10        30      -17.2   1.50E-09        48      -0.3    #       Saponite, Smectite
+Paragonite      -11.9   7.30E-04        50      0.55    -14.68  3.84E-03        70      -20.19  6.00E-08        74      -0.6
+Prehnite        -10.4   1.30E+03        77      0.35    -14     1               80      -12.8   15              80      -0.075
+Pyrophyllite    -8.6    1.60E+04        73      0.7     -12.6   1.50E-01        67      -18.4   2.00E-08        61      -0.7
+Sepiolite       -11     5.89E-03        50.2    0.25    -13.2   8.00E-07        40.7    0       0               0       0       #       Palygorskite
+Spodumene       -5.38   4.90E+02        46.1    0.5     -8.95   5.40E+06        89.5    0       0               0       0
+Talc            -11.1   4.42E-03        50.2    0.36    -12.9   1.56E-06        40.7    0       0               0       0
+Wollastonite    -6.97   700             56      0.4     0       0               0       -7.81   200             52      0.15
+
+# # Example input files with RATES for KINETICS calculations
+# #
+# # compare Albite kinetics using rates from the compilations
+ # # for the PARMS, see https://www.hydrochemistry.eu/exmpls/kin_silicates.html
+# # =========================================================
+#
+# RATES
+# Albite_PK # Palandri and Kharaka, 2004
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_PK("Albite")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# KINETICS 1
+# Albite_PK
+# -formula NaAlSi3O8; -parms 0 1 1 0.67
+# -m0 1; -time 1 # default
+# END
+
+# SOLUTION 1
+# PHASES
+  # Fix_pH; H+ = H+
+  # LiBr; LiBr = Li+ + Br-; -log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant
+# SELECTED_OUTPUT 1
+        # -file kinetic_rates_pH.inc
+        # -reset false
+# USER_PUNCH 1    # write out the pH's to equilibrate...
+        # 10 FOR i = 0 to 14 STEP 0.5
+        # 20      punch EOL$ + 'USE solution 1'
+        # 30      punch EOL$ + 'EQUILIBRIUM_PHASES 1'
+        # 40      punch EOL$ + ' LiBr'
+        # 50      punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant
+        # 60      punch EOL$ + 'USE kinetics 1'
+        # 70      punch EOL$ + 'END'
+        # 80 NEXT i
+# END
+
+# PRINT; -reset false
+# SELECTED_OUTPUT 1; -active false
+# USER_GRAPH 1; -headings pH Palandri
+# -axis_titles  pH "log10(initial rate / (mol / m2 / s))"
+# -axis_scale x_axis 0 14
+# 10 graph_x -la("H+")
+# 20 graph_sy log10(tot("Al"))
+# INCLUDE$ kinetic_rates_pH.inc
+# END
+
+# RATES
+# Albite_Svd # Sverdrup, 2019
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_SVD("Albite")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# KINETICS 1
+# Albite_Svd
+# -formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20
+# USER_GRAPH 1; -headings pH Sverdup*20
+# INCLUDE$ kinetic_rates_pH.inc
+# END
+
+# KINETICS 1
+# Albite # from Sverdrup and Warfvinge, 1995
+# -formula NaAlSi3O8; -parms 1 20 # roughness = 20
+# USER_GRAPH 1; -headings pH Sverdup`95*20
+# INCLUDE$ kinetic_rates_pH.inc
+# END
+
+# RATES
+# Albite_Hermanska # 2022
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_HERMANSKA("Albite")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# KINETICS 1
+# Albite_Hermanska
+# -formula NaAlSi3O8; -parms 0 1 1 0.67
+# USER_GRAPH 1; -headings pH Hermanska
+# INCLUDE$ kinetic_rates_pH.inc
+# END
+
+# USE solution 1
+# REACTION_TEMPERATURE 1; 25 25 in 21
+# USER_GRAPH 1; -headings Albite_data
+# 10 data 1.1, 2.05, 2.45, 2.9, 3, 3.5, 4.1, 5.1, 5.35, 5.47, 5.63, 5.63, 5.73, 7.73, 9.95, 9.95, 9.95, 10.6, 11.2, 11.55, 12.3
+# 20 data -10.25, -10.55, -10.82, -11.25, -11.1, -11.4, -11.47, -11.82, -11.75, -11.65, -11.83, -11.92, -11.92, -11.83, -10.97, -11.05, -11.13, -10.95, -10.55, -10.6, -10.38 # Chou, L., Wollast, R., 1985. Steady-state kinetics and dissolution mechanisms of albite. Am. J. Sci. 285, 963–993.
+# 30 restore 10 : dim ph(21) : for i = 1 to step_no : read ph(i) : next i
+# 40 restore 20 : dim lk(21) : for i = 1 to step_no : read lk(i) : next i
+# 50 i = step_no : plot_xy ph(i), lk(i), line_width = 0, color = Black, y_axis = 2, symbol_size = 10, symbol = Circle
+# END
+
+# # compare rates for calcite dissolution
+# #   of Palandri and Kharaka, 2004 and Plummer, Wigley and Parkhurst, 1978
+# #   at different initial CO2 concentrations.
+# # =====================================
+
+# USER_GRAPH 1; -active false
+
+# RATES
+# Calcite_PK # Palandri and Kharaka, 2004
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("calcite") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_PK("calcite")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# SOLUTION 1
+# pH 7 charge; C(4) 1 CO2(g) -2.5
+# KINETICS 1
+# calcite_PK
+# -formula CaCO3; -parms 0 1e-2 1 0.67
+# -time 0.1 10*1 hour
+# INCREMENTAL_REACTIONS true
+# USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-2.5
+# -axis_titles "time / hours" "Calcite dissolved / (mmol/kgw)"
+# 10 graph_x total_time / 3600 : graph_sy tot("Ca") * 1e3
+# END
+
+# USE solution 1
+# KINETICS 1
+# Calcite
+# -parms  1e2  0.67  # cm^2/mol calcite, exp factor
+# -time  0.1 10*1 hour
+# USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst
+# END
+
+# SOLUTION 1
+# pH 7 charge; C(4) 1 CO2(g) -1.5
+# KINETICS 1
+# calcite_PK
+# -formula CaCO3
+# -parms  0  1e-2  1  0.67
+# -time 0.1 10*1 hour
+# USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-1.5
+# END
+
+# USE solution 1
+# KINETICS 1
+# Calcite
+# -parms  1e2  0.67
+# -time  0.1 10*1 hour
+# USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst
+# END
+
+# # compare rates for quartz dissolution
+# #   and the effect of NaCl
+# # =====================================
+
+# USER_GRAPH 2; -active false
+
+# RATES
+# Quartz_PK # Palandri and Kharaka, 2004
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_PK("Quartz")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# SOLUTION 1
+# pH 7 charge
+# KINETICS 1
+# Quartz_PK
+# -formula SiO2
+# -parms  0  6  1  0.67
+# -time 0.1 10*1 year
+# INCREMENTAL_REACTIONS true
+# USER_GRAPH 3; -headings h Palandri
+# -axis_titles "time / years" "Quartz dissolved / (mmol/kgw)"
+# 10 graph_x total_time / 3.15e7 : graph_sy tot("Si") * 1e3
+# END
+
+# RATES
+# Quartz_Hermanska #
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_HERMANSKA("Quartz")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# USE solution 1
+# KINETICS 1
+# Quartz_Hermanska
+# -formula SiO2
+# -parms  0  6  1  0.67
+# -time 0.1 10*1 year
+# USER_GRAPH 3
+# -headings H Hermanska
+# END
+
+# RATES
+# Quartz_Svd # Sverdrup, 2019
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = RATE_SVD("Quartz")
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# USE solution 1
+# KINETICS 1
+# Quartz_Svd
+# -formula SiO2
+# -parms  0  6  1  0.67
+# -time 0.1 10*1 year
+# USER_GRAPH 3
+# -headings H Sverdup
+# END
+
+# RATES
+# Quartz_Rimstidt
+# #1 rem Specific rate k = 10^-13.34 mol/m2/s (25 C), Ea = 74 kJ/mol, Rimstidt, 2015, GCA 167, 195
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END
+# 20 rate = 10^-(13.3 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, 1994, MSA Rev. 29, 259
+# 20 rate = 10^-(13.3 + 4700 * (1 / 298 - 1 / TK)) + 11.2e3 * act("Na+")^0.33 * act("OH-")^0.44 * exp(-71.6/(8.314e-3 * TK)) # salt correction,  Rimstidt, 2015, GCA 167, 195
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# USE solution 1
+# KINETICS 1
+# Quartz_Rimstidt
+# -formula SiO2
+# -parms  0  6  1  0.67
+# -time 0.1 10*1 year
+# USER_GRAPH 3
+# -headings H Rimstidt
+# END
+
+# SOLUTION 1
+# pH 7 charge; Na 1; Cl 1
+# KINETICS 1
+# Quartz_Rimstidt
+# -formula SiO2
+# -parms  0  6  1  0.67
+# -time 0.1 10*1 year
+# USER_GRAPH 3
+# -headings H Rimstidt_1.mM.NaCl
+# END
+
+# # Example input file for calculating kinetic dissolution of Montmorillonite,
+# # a solid solution with exchangeable cations reacting fast;
+# # their ratios are related to the changing solution composition,
+# # and their amounts are connected to the kinetic reacting TOT layer.
+# #
+# # The affinity is related to a solid solution member, given by the fraction of the
+# # exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula,
+# # the exchange species and their log_k`s are from the solid solution members in ThermoddemV1
+# # For the Gaines Thomas formula, the Mg+2 and Ca+2 species are redefined.
+# # It also shows how the default X exchanger can be invkoed.
+# # # ==============================================================
+
+# USER_GRAPH 3; -active false
+
+# RATES
+# Montmorillonite
+# 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# # Gapon and Gaines-Tomas exchange formulas
+# 7  f_Na = (mol("Na0.34X_montm_mg") / tot("X_montm_mg"))
+# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na
+# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na
+
+# # #  Gapon, with Ca as exchange species...
+# # 7  f_Ca = (mol("Ca0.17X_montm_mg") / tot("X_montm_mg"))
+# # #  use SR("Montmorillonite(Mgca)")
+# # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca
+# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca
+
+# # #  Gaines-Thomas exchange formula, with Ca as exchange species, uncomment the Gaines-Thomas EXCHANGE_SPECIES
+# # 7  f_Ca = (mol("Ca0.34X_montm_mg2") / 2 / tot("X_montm_mg")) : ex = 0.5
+# # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca^ex
+# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca^ex
+
+# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# 40 SAVE area * rate * affinity * TIME
+# -end
+
+# EXCHANGE_MASTER_SPECIES
+# X_montm_mg   X_montm_mg-0.34
+# EXCHANGE_SPECIES
+# # The Gapon formulation is easiest, with constants from Montmorillonite(Mg..) in PHASES
+              # X_montm_mg-0.34 =  X_montm_mg-0.34
+# 0.34 Na+  +   X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 #
+# 0.34 K+   +   X_montm_mg-0.34 =  K0.34X_montm_mg; log_k -2.83 # 0.581 #
+# 0.17 Mg+2 +   X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708 # -0.297 #
+# 0.17 Ca+2 +   X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222 # -0.811 #
+
+# # # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX
+# # # uncomment the following lines to see the effect...
+# # 0.17 Mg+2 +   X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.86
+# # 0.17 Ca+2 +   X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83
+# # # also adapt the log_k`s of the solids...
+# # PHASES
+# # Montmorillonite(MgMg)
+# # Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4
+     # # log_k     2.86
+# # Montmorillonite(MgCa)
+# # Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4
+     # # log_k     2.83
+
+# # # The divalent cations can be defined with the Gaines-Thomas convention...
+# # EXCHANGE_SPECIES
+# # # undefine the previous set...
+# # 0.17 Mg+2 +   X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10
+# # 0.17 Ca+2 +   X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10
+# # # write the Gaines-Thomas formulas...
+# # 0.34 Mg+2 + 2  X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # 
+# # 0.34 Ca+2 + 2  X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # 
+
+# # # The default exchanger X can be used, uncomment the follwing lines
+# # # redefine f_Na in the rate...
+# # RATES
+# # Montmorillonite
+# # 5  REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent
+# # 7  f_Na = (mol("NaX") / tot("X")) # when running with the default X exchange
+# # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na
+# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na
+# # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
+# # 40 SAVE area * rate * affinity * TIME
+# # -end 
+# # # adapt log_k`s of the solids with default exchanger X:
+# # PHASES
+# # Montmorillonite(MgK)
+# # K0.34Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4H4SiO4
+     # # log_k   2.6 # 3.41 - 0.7 * 0.34 = 3.17 expected, but is fraction-dependent, A&P, problems p. 305
+# # Montmorillonite(MgMg)
+# # Mg0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 1.02 Mg+2 + 8 H4SiO4
+     # # log_k   6.27 # 3.41 * 2 - 0.6 * 0.34 = 6.62
+# # Montmorillonite(MgCa)
+# # Ca0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 0.68 Mg+2 + 8 H4SiO4 + 0.34 Ca+2
+     # # log_k   6.2 #  3.41 * 2 - 0.8 * 0.34 = 6.55
+# # # in EXCHANGE 1, comment X_montm_mg, uncomment X...
+# END
+
+# SOLUTION 1
+# pH 7 charge
+# Na 1e-5
+# K  1e-5
+# Mg 1e-5
+# Ca 1e-5
+# END
+
+# # Give the solution composition for calculating the ininitial exchanger
+# SOLUTION 99
+# pH 7 charge
+# EQUILIBRIUM_PHASES 1
+# # solid solution of the end-members, SI = log10(fraction = 0.25)
+# Montmorillonite(MgNa)  -0.602  1e-2
+# Montmorillonite(MgCa)  -0.602  1e-2
+# Montmorillonite(MgK)   -0.602  1e-2
+# Montmorillonite(MgMg)  -0.602  1e-2
+# Kaolinite 0 0
+# SAVE solution 99
+# END
+
+# # # with Gapon only, initial exchanger can be defined explicitly
+# EXCHANGE 1
+# Na0.34X_montm_mg  1e-2
+# Ca0.17X_montm_mg  1e-2
+# K0.34X_montm_mg   1e-2
+# Mg0.17X_montm_mg  1e-2
+# END
+
+# USE solution 1
+# EQUILIBRIUM_PHASES 1
+# Kaolinite 0 0
+# # USE EXCHANGE 1 # with Gapon only, uncomment in KINETICS: # X_montm_mg -1
+# EXCHANGE 1
+# X_montm_mg Montmorillonite kin 1; -equil 99 # comment in KINETICS: # X_montm_mg -1
+# # X Montmorillonite kin 0.34; -equil 99 # default exchanger X, comment in KINETICS: # X_montm_mg -1
+# KINETICS 1
+# Montmorillonite
+# -formula Mg0.34Al1.66Si4O10(OH)2 1 # X_montm_mg -1
+# -m  4e-2
+# -parms 0  2.5e5 1 0.67
+# -step 30 100 1e3 1e4 2e4 2e4 3e4 3e4 3e4 3e4 1e5 1e5 1e5 3e5 6e5 1e6 3e6
+# -cvode true
+# INCREMENTAL_REACTIONS true
+# USER_GRAPH 4
+    # -headings               time Na K Mg Ca mm_diss
+    # -axis_titles            "Time / days" "Molality" "Montmorillonite dissolved / (mmol/kgw)"
+    # -axis_scale x_axis      auto auto auto auto log
+    # -axis_scale y_axis      auto auto auto auto log
+# 1  t = TOTAL_TIME / (3600 * 24) : put(t, 1)
+# 10 GRAPH_X t
+# 12 mg = tot("Mg") : if mg < 1e-24 then mg = 1e-24
+# 14 ca = tot("Ca") : if ca < 1e-24 then ca = 1e-24
+# 20 GRAPH_Y TOT("Na"), TOT("K"), mg, ca
+# 30 GRAPH_SY (4e-2 - kin("Montmorillonite")) * 1e3
+# END
+# USE solution 99; REACTION
+# USER_GRAPH 4; -connect_simulations false; -headings Solution_99
+# 1 t = get(1)
+# 10 plot_xy t, tot("Na"), symbol = Circle , symbol_size = 15, color = Red
+# 20 plot_xy t, tot("K"),  symbol = Circle , symbol_size = 15, color = Green
+# 30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue
+# 40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange
+
+# =============================================================================================
+#(a) means amorphous. (d) means disordered, or less crystalline.
+#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt),
+#precipitated, indicates an initial precipitate that is less crystalline.
+#Zn(OH)2(e) indicates a specific crystal form, epsilon.
+# =============================================================================================
+# For the reaction aA + bB = cC + dD,
+#   with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
+# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
+#   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
+# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
+#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#    hard-coded in calc_PR():
+#    kij    CH4    CO2    H2S    N2
+#    H2O    0.49   0.19   0.19   0.49
+# =============================================================================================
+# The molar volumes of solids are entered with
+#			 -Vm vm cm3/mol
+#    vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
+# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
+#   Deer, Howie and Zussman, The rock-forming minerals, Longman.
+#			   --------------------
+# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
+#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
+#			-Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
+# The volume (cm3/mol) is
+#    Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb)  + a3 / (T - 228) +
+#			    a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
+#		   + z^2 / 2 * Av * f(I^0.5)
+#		   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
+#   Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
+#   41.84 transforms cal/bar/mol into cm3/mol.
+#   pb is pressure in bar.
+#   W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
+#	W is fitted on measured solution densities.
+#   z is charge of the solute species.
+#   Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
+#   a0 is the ion-size parameter in the extended Debye-Hückel equation:
+#	f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
+#	a0 = -gamma	  x for cations, = 0 for anions.
+# For details, consult ref. 1.
+# =============================================================================================
+# The viscosity is calculated with a (modified) Jones-Dole equation:
+#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+# Parameters are for calculating the B and D terms:
+#    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
+#    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
+#    z_i is absolute charge number, m_i is molality of i
+#    B_i = b0 + b1 exp(-b2 * tc)
+#    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
+#    D_i = d1 + exp(-d2 tc)
+#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
+# For details, consult ref. 4.
+#
+# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67.
+# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
+# ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
+# ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
+#
+# =============================================================================================
+# It remains the responsibility of the user to check the calculated results, for example with
+#   measured solubilities as a function of (P, T).
diff --git a/database/pitzer.dat b/database/pitzer.dat
index 69274d1d..0f7579f9 100644
--- a/database/pitzer.dat
+++ b/database/pitzer.dat
@@ -1,506 +1,518 @@
+# File 1 = C:\GitPrograms\phreeqc3-1\database\pitzer.dat, 22/05/2024  19:46, 1033 lines, 38088 bytes, md5=d70476773ed110a269ebbcaf334f1133
+# Created 22 May 2024 19:49:25
+# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts pitzer.dat
+
 # Pitzer.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using
 #   diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 
 SOLUTION_MASTER_SPECIES
-Alkalinity	CO3-2	 1	Ca0.5(CO3)0.5	50.05
-B		B(OH)3	 0	B		10.81
-Ba		Ba+2	 0	Ba		137.33
-Br		Br-	 0	Br		79.904
-C		CO3-2	 2	HCO3		12.0111
-C(4)		CO3-2	 2	HCO3		12.0111
-Ca		Ca+2	 0	Ca		40.08
-Cl		Cl-	 0	Cl		35.453
-E		e-	 0	0.0		0.0
-Fe		Fe+2	 0	Fe		55.847
-H		H+	-1	H		1.008
-H(1)		H+	-1	0.0
-K		K+	 0	K		39.0983
-Li		Li+	 0	Li		6.941
-Mg		Mg+2	 0	Mg		24.305
-Mn		Mn+2	 0	Mn		54.938
-Na		Na+	 0	Na		22.9898
-O		H2O	 0	O		16.00
-O(-2)		H2O	 0	0.0
-S		SO4-2	 0	SO4		32.064
-S(6)		SO4-2	 0	SO4
-Si		H4SiO4	 0	SiO2		28.0843
-Sr		Sr+2	 0	Sr		87.62
-# redox-uncoupled gases	
-Hdg		Hdg	 0	Hdg		2.016 # H2 gas
-Oxg		Oxg	 0	Oxg		32 # Oxygen gas
-Mtg		Mtg	 0.0	Mtg		16.032 # CH4 gas
-Sg		H2Sg	 0.0	H2Sg		32.064 # H2S gas
-Ntg		Ntg	 0	Ntg		28.0134 # N2 gas
+Alkalinity  CO3-2   1   Ca0.5(CO3)0.5   50.05
+B           B(OH)3  0   B               10.81
+Ba          Ba+2    0   Ba              137.33
+Br          Br-     0   Br              79.904
+C           CO3-2   2   HCO3            12.0111
+C(4)        CO3-2   2   HCO3            12.0111
+Ca          Ca+2    0   Ca              40.08
+Cl          Cl-     0   Cl              35.453
+E           e-      1   0.0             0.0
+Fe          Fe+2    0   Fe              55.847
+H           H+      -1  H               1.008
+H(1)        H+      -1  0.0
+K           K+      0   K               39.0983
+Li          Li+     0   Li              6.941
+Mg          Mg+2    0   Mg              24.305
+Mn          Mn+2    0   Mn              54.938
+Na          Na+     0   Na              22.9898
+O           H2O     0   O               16.00
+O(-2)       H2O     0   0.0
+S           SO4-2   0   SO4             32.064
+S(6)        SO4-2   0   SO4
+Si          H4SiO4  0   SiO2            28.0843
+Sr          Sr+2    0   Sr              87.62
+# redox-uncoupled gases 
+Hdg         Hdg     0   Hdg             2.016   # H2 gas
+Oxg         Oxg     0   Oxg             32      # Oxygen gas
+Mtg         Mtg     0   Mtg             16.032  # CH4 gas
+Sg          H2Sg    0   H2Sg            32.064  # H2S gas
+Ntg         Ntg     0   Ntg             28.0134 # N2 gas
 
 SOLUTION_SPECIES
 H+ = H+
-	-dw	 9.31e-9  1000  0.46  1e-10 # The dw parameters are defined in ref. 4.
-# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
-# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
-	-viscosity  9.35e-2  -7.87e-2  2.89e-2  2.7e-4  3.42e-2  1.704 # for viscosity parameters see ref. 5
+	-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4
+	-dw 9.31e-9  823   5.55  0  3.07  24.01  0
+#	    Dw(25 C) dw_T  a     a2 visc  a3     a_v_dif
+# Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc
+# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
+
+# For SC, Dw(TK) *=  (viscos_0_tc / viscos)^visc (visc = 3.07 for H+)
+# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
+# a3 = -10 ? ka = DH_B * a * mu^a2 in DHO.  (Define a3 = -10.)
+# -5 < a3 < 5 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka))
+
+# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
 e- = e-
 H2O = H2O
+	-dw 2.299e-9 -254
 Li+ = Li+
-	-dw	 1.03e-9  80
-	-Vm  -0.419  -0.069  13.16  -2.78  0.416  0  0.296  -12.4  -2.74e-3  1.26 # The apparent volume parameters are defined in ref. 1 & 2. For Li+ additional data from Ellis, 1968, J. Chem. Soc. A, 1138
-	-viscosity  0.162  -2.41e-2  3.91e-2  9.6e-4  6.3e-4  2.094
+	-Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # The apparent volume parameters are defined in ref. 1 & 2 For Li+ additional data from Ellis, 1968, J. Chem. Soc. A, 1138
+	-viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl
+	-dw 1.03e-9 -14 4.03 0.8341 1.679
 Na+ = Na+
-	-dw	 1.33e-9  122  1.52  3.70
-	-Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.566
+	-Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566
 # for calculating densities (rho) when I > 3...
 	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45
-        -viscosity  0.139  -8.71e-2  1.24e-2  1.45e-2  7.5e-3  1.062
+	-viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062
+	-dw 1.33e-9 75 3.627 0 0.7037
 K+ = K+
-	-dw	 1.96e-9  395  2.5  21
-	-Vm  3.322  -1.473  6.534  -2.712  9.06e-2  3.5  0  29.70  0  1
-        -viscosity  0.114  -0.203  1.60e-2  2.42e-2  2.53e-2  0.682
+	-Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1
+	-viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028
+	-dw 1.96e-9 254 3.484 0 0.1964
 Mg+2 = Mg+2
-	-dw	 0.705e-9  111  2.4  13.7
-	-Vm  -1.410  -8.6  11.13  -2.39  1.332  5.5  1.29  -32.9  -5.86e-3  1
-	-viscosity  0.423  0  0  1.67e-3  8.1e-3  2.50
+	-Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1
+	-viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461
+	-dw 0.705e-9 -4 5.569 0 1.047
 Ca+2 = Ca+2
-	-dw	0.793e-9  97  3.4  24.6
-	-Vm  -0.3456  -7.252  6.149  -2.479  1.239  5  1.60  -57.1  -6.12e-3  1
-	-viscosity  0.379  -0.171  3.59e-2  1.55e-3  9.0e-3  2.282
+	-Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2
+	-viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M
+	-dw 0.792e-9 34 5.411 0 1.046
 Sr+2 = Sr+2
-	-dw	 0.794e-9  161
-	-Vm  -1.57e-2  -10.15  10.18  -2.36  0.860  5.26  0.859  -27.0  -4.1e-3  1.97
-	-viscosity  0.472  -0.252  5.51e-3  3.67e-3  0  1.876
+	-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
+	-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
+	-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
 Ba+2 = Ba+2
-	-dw	 0.848e-9  46
-	-Vm  2.063  -10.06  1.9534  -2.36  0.4218  5  1.58  -12.03  -8.35e-3  1
-	-viscosity  0.339  -0.226  1.38e-2  3.06e-2  0  0.768
+	-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1
+	-viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768
+	-dw 0.848e-9 174 10.53 0 3
 Mn+2 = Mn+2
-	-dw	 0.688e-9
-	-Vm  -1.10  -8.03  4.08  -2.45  1.4  6  8.07  0  -1.51e-2  0.118 # ref. 2
+	-Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2
+	-dw 0.688e-9
 Fe+2 = Fe+2
-	-dw	 0.719e-9
-	-Vm  -0.3255  -9.687  1.536  -2.379  0.3033  6  -4.21e-2  39.7  0  1
+	-Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1
+	-dw 0.719e-9
 Cl- = Cl-
-	-dw	 2.03e-9  194  1.6  6.9
-	-Vm  4.465  4.801  4.325  -2.847  1.748  0  -0.331  20.16  0  1
-	-viscosity   0  0  0  0  0  0  1 # the reference solute
+	-Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1
+	-viscosity 0 0 0 0 0 0 1 # the reference solute
+	-dw 2.033e-9 216 3.16 0.2071 0.7432
 CO3-2 = CO3-2
-        -dw     0.955e-9   225  1.002  3.96
-	-Vm  8.569  -10.40  -19.38  3e-4  4.61  0  2.99  0  -3.23e-2  0.872
-	-viscosity  0  0.296  3.63e-2  2e-4  -1.90e-2  1.881  -1.754
+	-Vm 8.569 -10.4 -19.38 3e-4 4.61 0 2.99 0 -3.23e-2 0.872
+	-viscosity 0 0.296 3.63e-2 2e-4 -1.9e-2 1.881 -1.754
+	-dw 0.955e-9 -60 2.257 0.1022 0.4136
 SO4-2 = SO4-2
-	-dw	1.07e-9  138  3.95  25.9
-	-Vm  8.75  5.48  0  -6.41   3.32  0  0  0  -9.33E-2  0
-	-viscosity  -7.63e-2  0.229  1.34e-2   1.76e-3   -1.52e-3  2.079  0.271
+	-Vm -7.77 43.17 176 -51.45 3.794 0 4.97 20.5 -5.77e-2 0.45
+	-viscosity -4.1e-2 0.1735 1.308e-2 2.16e-4 2.83e-2 3.375 0.21
+	-dw 1.07e-9 -63 0.397 0.982 1.01
 B(OH)3 = B(OH)3
-	-dw	1.1e-9
-	-Vm 7.0643   8.8547   3.5844   -3.1451 -.2000  # supcrt
+	-Vm 7.0643 8.8547 3.5844 -3.1451 -.2 # supcrt
+	-dw 1.1e-9
 Br- = Br-
-	-dw	 2.01e-9  258
-	-Vm   6.72  2.85  4.21  -3.14  1.38  0  -9.56e-2  7.08  -1.56e-3  1 # ref. 2
-	-viscosity  -1.16e-2  -5.23e-2  5.54e-2  1.22e-2  0.119  0.9969  0.818
+	-Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1
+	-viscosity -1.16e-2 -5.23e-2 5.54e-2 1.22e-2 0.119 0.9969 0.818
+	-dw 2.09e-9 208 3.5 0 0.5737
 H4SiO4 = H4SiO4
-	-dw  1.10e-9
-	-Vm  10.5  1.7  20  -2.7  0.1291 # supcrt + 2*H2O in a1
+	-Vm 10.5 1.7 20 -2.7 0.1291 # supcrt  2*H2O in a1
+	-dw 1.1e-9
 # redox-uncoupled gases
 Hdg = Hdg # H2
-	-dw	 5.13e-9
-	-Vm 6.52  0.78  0.12 # supcrt
+	-Vm 6.52 0.78 0.12 # supcrt
+	-dw 5.13e-9
 Oxg = Oxg # O2
-	-dw	 2.35e-9
-	-Vm   5.7889  6.3536  3.2528  -3.0417   -0.3943 # supcrt
+	-Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt
+	-dw 2.35e-9
 Mtg = Mtg # CH4
-	-dw   1.85e-9
-	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+	-Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 1.85e-9
 Ntg = Ntg # N2
-	-dw   1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519
-	-Vm 7 # Pray et al., 1952, IEC 44. 1146
+	-Vm 7 # Pray et al., 1952, IEC 44 1146
+	-dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519
 H2Sg = H2Sg # H2S
-	-dw	 2.1e-9
-        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+        -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+	-dw 2.1e-9
 # aqueous species
 H2O = OH- + H+
-	-analytic  293.29227  0.1360833  -10576.913  -123.73158  0  -6.996455e-5
-	-dw	 5.27e-9  548  0.52  1e-10
-	-Vm  -9.66  28.5  80.0 -22.9 1.89 0 1.09 0 0 1
-	-viscosity  -5.45e-2  0.142  1.45e-2  -3e-5  0  3.231  -1.791 # < 5 M Li,Na,KOH
+	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
+	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
+	-viscosity -5.45e-2 0.142 1.45e-2 -3e-5 0 3.231 -1.791 # < 5 M Li,Na,KOH
+ 	-dw 5.27e-9 491 1.851 0 0.3256
 CO3-2 + H+ = HCO3-
-	log_k	   10.3393
-	delta_h -3.561  kcal
-	-analytic    107.8975    0.03252849  -5151.79   -38.92561    563713.9
-	-dw	1.18e-9  -79.0  0.956  -3.29
-	-Vm  9.463  -2.49  -11.92  0  1.63  0  0  130  0  0.691
-	-viscosity  0  0.633  7.2e-3  0  0  0  1.087
+	log_k 10.3393;  delta_h -3.561 kcal
+	-analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9
+	-Vm 9.463 -2.49 -11.92 0 1.63 0 0 130 0 0.691
+	-viscosity 0 0.633 7.2e-3 0 0 0 1.087
+	-dw 1.18e-9 -108 9.955 0 1.4928
 CO3-2 + 2 H+ = CO2 + H2O
-	log_k	   16.6767
-	delta_h	 -5.738  kcal
-	-analytic    464.1965    0.09344813  -26986.16	-165.75951   2248628.9
-	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
-	-Vm   7.29  0.92  2.07  -1.23  -1.60 # McBride et al. 2015, JCED 60, 171
+	log_k 16.6767
+	delta_h -5.738 kcal
+	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
+	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
+	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 SO4-2 + H+ = HSO4-
-	log_k	   1.979
-	delta_h 4.91    kcal
-	-analytic   -5.3585   0.0183412   557.2461
-	-dw	 1.33e-9
-	-Vm 8.2 9.2590   2.1108   -3.1618 1.1748  0 -0.3 15 0 1
+	-log_k 1.988;  -delta_h 3.85 kcal
+	-analytic -56.889 0.006473 2307.9 19.8858
+	-Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1
+	-viscosity 3.29e-2 -4.86e-2 0.409 1e-5 4.23e-2 1.069 0.7371
+	-dw 0.731e-9 1e3 7.082 3 0.86
 H2Sg = HSg- + H+
-	log_k	-6.994
-	delta_h 5.30	kcal
-	-analytical  11.17   -0.02386  -3279.0
-	-dw	 1.73e-9
-	-Vm 5.0119   4.9799   3.4765   -2.9849 1.4410 # supcrt
-2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
-        -analytical   10.227  -0.01384  -2200
-	-dw	 2.1e-9
-	-Vm   36.41  -71.95  0  0  2.58
+	log_k -6.994
+	delta_h 5.3 kcal
+	-analytical 11.17 -0.02386 -3279
+	-Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt
+	-dw 1.73e-9
+2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
+        -analytical 10.227 -0.01384 -2200
+	-Vm 36.41 -71.95 0 0 2.58
+	-dw 2.1e-9
 B(OH)3 + H2O = B(OH)4- + H+
-	log_k	   -9.239
-	delta_h 0   kcal
-3B(OH)3 = B3O3(OH)4- + 2H2O + H+
-	log_k	   -7.528
-	delta_h 0   kcal
-4B(OH)3 = B4O5(OH)4-2 + 3H2O + 2H+
-	log_k	   -16.134
-	delta_h 0   kcal
+	log_k -9.239
+	delta_h 0 kcal
+3 B(OH)3 = B3O3(OH)4- + 2 H2O + H+
+	log_k -7.528
+	delta_h 0 kcal
+4 B(OH)3 = B4O5(OH)4-2 + 3 H2O + 2 H+
+	log_k -16.134
+	delta_h 0 kcal
 Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+
-	log_k	   -7.589
-	delta_h 0   kcal
+	log_k -7.589
+	delta_h 0 kcal
 Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+
-	log_k	   -7.840
-	delta_h 0   kcal
+	log_k -7.84
+	delta_h 0 kcal
 # Ca+2 + CO3-2 = CaCO3
-	# log_k	   3.151
+	# log_k	3.151
 	# delta_h 3.547   kcal
 	# -analytic    -1228.806   -0.299440    35512.75   485.818
-	# -dw 4.46e-10	# complexes: calc'd with the Pikal formula
-	# -Vm  -.2430   -8.3748   9.0417   -2.4328  -.0300 # supcrt
+	# -dw	4.46e-10	# complexes: calc'd with the Pikal formula
+	# -Vm	-.2430   -8.3748   9.0417   -2.4328  -.0300 # supcrt
 Mg+2 + H2O = MgOH+ + H+
-	log_k	   -11.809
+	log_k -11.809
 	delta_h 15.419 kcal
 Mg+2 + CO3-2 = MgCO3
-	log_k	   2.928
-	delta_h 2.535   kcal
-	-analytic	-32.225   0.0	  1093.486    12.72433
+	log_k 2.928
+	delta_h 2.535 kcal
+	-analytic -32.225 0 1093.486 12.72433
 	-dw 4.21e-10
-	-Vm  -.5837   -9.2067   9.3687   -2.3984  -.0300 # supcrt
+	-Vm -.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt
 H4SiO4 = H3SiO4- + H+
-	-log_k  -9.83; -delta_h 6.12 kcal
-	-analytic	-302.3724	-0.050698	15669.69	108.18466	-1119669.0
-	-Vm  7.94  1.0881  5.3224  -2.8240  1.4767 # supcrt + H2O in a1
+	-log_k -9.83; -delta_h 6.12 kcal
+	-analytic -302.3724 -0.050698 15669.69 108.18466 -1119669
+	-Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1
 H4SiO4 = H2SiO4-2 + 2 H+
-	-log_k  -23.0;  -delta_h 17.6 kcal
-	-analytic	-294.0184	-0.072650	11204.49	108.18466	-1119669.0
+	-log_k -23;  -delta_h 17.6 kcal
+	-analytic -294.0184 -0.07265 11204.49 108.18466 -1119669
 
 PHASES
 Akermanite
-	Ca2MgSi2O7 + 6 H+  =  Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat
-	log_k	   45.23
-	-delta_H	-289	kJ/mol
+	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat
+	log_k 45.23
+	-delta_H -289 kJ/mol
 	Vm 92.6
 Anhydrite
 	CaSO4 = Ca+2 + SO4-2
-	log_k   -4.362
-	-analytical_expression  5.009  -2.21e-2  -796.4 # ref. 3
+	log_k -4.362
+	-analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3
 	-Vm 46.1 # 136.14 / 2.95
 Anthophyllite
-	Mg7Si8O22(OH)2 + 14 H+  =  7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat
-	log_k	   66.80
-	-delta_H	-483	kJ/mol
+	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat
+	log_k 66.8
+	-delta_H -483 kJ/mol
 	Vm 269
 Antigorite
-	Mg48Si34O85(OH)62 + 96 H+  =  34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat
-	log_k	   477.19
-	-delta_H	-3364	kJ/mol
+	Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat
+	log_k 477.19
+	-delta_H -3364 kJ/mol
 	Vm 1745
 Aragonite
 	CaCO3 = CO3-2 + Ca+2
-	log_k   -8.336
+	log_k -8.336
 	delta_h -2.589 kcal
-	-analytic     -171.8607   -.077993    2903.293    71.595
+	-analytic -171.8607 -.077993 2903.293 71.595
 	-Vm 34.04
 Arcanite
-	K2SO4  =  SO4-2 + 2 K+
-	log_k   -1.776; -delta_h 5 kcal
-	-analytical_expression   674.142  0.30423  -18037  -280.236  0  -1.44055e-4 # ref. 3
+	K2SO4 = SO4-2 + 2 K+
+	log_k -1.776; -delta_h 5 kcal
+	-analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3
 	# Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
 	-Vm 65.5
 Artinite
-	Mg2CO3(OH)2:3H2O + 3 H+  =  HCO3- + 2 Mg+2 + 5 H2O # llnl.dat
-	log_k	   19.66
-	-delta_H	-130	kJ/mol
+	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat
+	log_k 19.66
+	-delta_H -130 kJ/mol
 	Vm 97.4
 Barite
 	BaSO4 = Ba+2 + SO4-2
-	log_k  -9.97; delta_h  6.35 kcal
-	-analytical_expression  -282.43  -8.972e-2  5822  113.08 # ref. 3
+	log_k -9.97; delta_h 6.35 kcal
+	-analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3
 	-Vm 52.9
 Bischofite
-	MgCl2:6H2O  =  Mg+2 + 2 Cl- + 6 H2O
-	log_k	   4.455
-	-analytical_expression  7.526  -1.114e-2  115.7 # ref. 3
+	MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O
+	log_k 4.455
+	-analytical_expression 7.526 -1.114e-2 115.7 # ref. 3
 	Vm 127.1
 Bloedite
-	Na2Mg(SO4)2:4H2O  = Mg++ + 2 Na+ + 2 SO4-- + 4 H2O
-	log_k	   -2.347
-	-delta_H	0	     # Not possible to calculate enthalpy of reaction	Bloedite
+	Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
+	log_k -2.347
+	-delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
 	Vm 147
 Brucite
-	Mg(OH)2  = Mg++ + 2 OH-
-	log_k	   -10.88
-	-delta_H	4.85    kcal/mol
+	Mg(OH)2 = Mg+2 + 2 OH-
+	log_k -10.88
+	-delta_H 4.85 kcal/mol
 	Vm 24.6
 Burkeite
-	Na6CO3(SO4)2  = CO3-2 + 2 SO4-- + 6 Na+
-	log_k	   -0.772
+	Na6CO3(SO4)2 = CO3-2 + 2 SO4-2 + 6 Na+
+	log_k -0.772
 	Vm 152
 Calcite
 	CaCO3 = CO3-2 + Ca+2
-	log_k	   -8.406
+	log_k -8.406
 	delta_h -2.297 kcal
-	-analytic  8.481      -0.032644  -2133 # ref. 3 with data from Ellis, 1959, Plummer and Busenberg, 1982 
+	-analytic 8.481 -0.032644 -2133 # ref. 3 with data from Ellis, 1959, Plummer and Busenberg, 1982
 	-Vm 36.9
 Carnallite
-	KMgCl3:6H2O  =  K+ + Mg+2 + 3Cl- + 6H2O
-	log_k  4.35; -delta_h 1.17
-	-analytical_expression  24.06  -3.11e-2  -3.09e3 # ref. 3
+	KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O
+	log_k 4.35; -delta_h 1.17
+	-analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3
 	Vm 173.7
 Celestite
 	SrSO4 = Sr+2 + SO4-2
-	log_k	   -6.630
-	-analytic  -7.14 6.11E-03  75 0 0 -1.79E-05  # ref. 3
+	log_k -6.63
+	-analytic -7.14 6.11E-3 75 0 0 -1.79E-5 # ref. 3
 	-Vm 46.4
 Chalcedony
 	SiO2 + 2 H2O = H4SiO4
-	-log_k  -3.55;  -delta_h  4.720 kcal
+	-log_k -3.55;  -delta_h 4.72 kcal
 	-Vm 23.1
 Chrysotile
 	Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 # phreeqc.dat
-	-log_k	32.2
-	-delta_h -46.800 kcal
-	-analytic	13.248	0.0	10217.1	-6.1894
+	-log_k 32.2
+	-delta_h -46.8 kcal
+	-analytic 13.248 0 10217.1 -6.1894
 	-Vm 110
 Diopside
-	CaMgSi2O6 + 4 H+  =  Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat
-	log_k	   20.96
-	-delta_H	-134	kJ/mol
+	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat
+	log_k 20.96
+	-delta_H -134 kJ/mol
 	Vm 67.2
 Dolomite
 	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
-	log_k	   -17.09
+	log_k -17.09
 	delta_h -9.436 kcal
-	-analytic  -120.63  -0.1051  0  54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275.
+	-analytic -120.63 -0.1051 0 54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275
 	-Vm 64.5
 Enstatite
-	MgSiO3 + 2 H+  = - H2O + Mg+2 + H4SiO4 # llnl.dat
-	log_k	   11.33
-	-delta_H	-83	kJ/mol
+	MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat
+	log_k 11.33
+	-delta_H -83 kJ/mol
 	Vm 31.3
 Epsomite
-	MgSO4:7H2O  =  Mg+2 + SO4-2 + 7 H2O
-	log_k	   -1.881
-	-analytical_expression  4.479  -6.99e-3  -1.265e3 # ref. 3
+	MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+	log_k -1.881
+	-analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3
 	Vm 147
 Forsterite
-	Mg2SiO4 + 4 H+  =  H4SiO4 + 2 Mg+2 # llnl.dat
-	log_k	   27.86
-	-delta_H	-206	kJ/mol
+	Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat
+	log_k 27.86
+	-delta_H -206 kJ/mol
 	Vm 43.7
 Gaylussite
 	CaNa2(CO3)2:5H2O = Ca+2 + 2 CO3-2 + 2 Na+ + 5 H2O
-	log_k	   -9.421
+	log_k -9.421
 Glaserite
-	NaK3(SO4)2 =  Na+ + 3K+ + 2SO4-2
-	log_k   -3.803;  -delta_h 25
+	NaK3(SO4)2 = Na+ + 3 K+ + 2 SO4-2
+	log_k -3.803;  -delta_h 25
 	-Vm 123
 Glauberite
-	Na2Ca(SO4)2  =  Ca+2 + 2 Na+ + 2 SO4-2
-	log_k	   -5.31
-	-analytical_expression  218.142  0  -9285  -77.735 # ref. 3
+	Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2
+	log_k -5.31
+	-analytical_expression 218.142 0 -9285 -77.735 # ref. 3
 	Vm 100.4
 Goergeyite
-	K2Ca5(SO4)6H2O = 2K+ + 5Ca+2 + 6SO4-2 + H2O
+	K2Ca5(SO4)6H2O = 2 K+ + 5 Ca+2 + 6 SO4-2 + H2O
 	log_k -29.5
-	-analytical_expression  1056.787  0  -52300  -368.06 # ref. 3
-	-Vm  295.9
+	-analytical_expression 1056.787 0 -52300 -368.06 # ref. 3
+	-Vm 295.9
 Gypsum
 	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
-	-log_k	-4.58;  -delta_h -0.109 kcal
-	-analytical_expression  82.381  0  -3804.5  -29.9952 # ref. 3
+	-log_k -4.58;  -delta_h -0.109 kcal
+	-analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3
 	-Vm 73.9
 Halite
-	NaCl  =  Cl- + Na+
-	log_k	   1.570
-	-analytical_expression 159.605  8.4294e-2  -3975.6  -66.857  0  -4.9364e-5 # ref. 3
+	NaCl = Cl- + Na+
+	log_k 1.57
+	-analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3
 	-Vm 27.1
 Hexahydrite
-	MgSO4:6H2O  =  Mg+2 + SO4-2 + 6 H2O
-	log_k	   -1.635
-	-analytical_expression  -0.733  -2.80e-3  -8.57e-3 # ref. 3
+	MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
+	log_k -1.635
+	-analytical_expression -0.733 -2.8e-3 -8.57e-3 # ref. 3
 	Vm 132
 Huntite
-	CaMg3(CO3)4 + 4 H+  =  Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat
-	log_k	   10.30
-	-analytical_expression  -1.145e3  -3.249e-1  3.941e4  4.526e2
+	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat
+	log_k 10.3
+	-analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2
 	Vm 130.8
 Kainite
-	KMgClSO4:3H2O  =  Cl- + K+ + Mg+2 + SO4-2 + 3 H2O
-	log_k	   -0.193
+	KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O
+	log_k -0.193
 Kalicinite
-	KHCO3  =  K+ + H+ + CO3-2
-	log_k	   -9.94 # Harvie et al., 1984
+	KHCO3 = K+ + H+ + CO3-2
+	log_k -9.94 # Harvie et al., 1984
 Kieserite
-	MgSO4:H2O  =  Mg+2 + SO4-2 + H2O
-	log_k	   -0.123
-	-analytical_expression  47.24  -0.12077  -5.356e3  0  0  7.272e-5 # ref. 3
+	MgSO4:H2O = Mg+2 + SO4-2 + H2O
+	log_k -0.123
+	-analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3
 	Vm 53.8
 Labile_S
-	Na4Ca(SO4)3:2H2O = 4Na+ + Ca+2 + 3SO4-2 + 2H2O
-	log_k	   -5.672
+	Na4Ca(SO4)3:2H2O = 4 Na+ + Ca+2 + 3 SO4-2 + 2 H2O
+	log_k -5.672
 Leonhardite
-	MgSO4:4H2O = Mg+2 + SO4-2 + 4H2O
-	log_k	   -0.887
+	MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O
+	log_k -0.887
 Leonite
-	K2Mg(SO4)2:4H2O  =  Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
-	log_k	   -3.979
+	K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
+	log_k -3.979
 Magnesite
-	MgCO3 =  CO3-2 + Mg+2
-	log_k	  -7.834
-	delta_h	-6.169
+	MgCO3 = CO3-2 + Mg+2
+	log_k -7.834
+	delta_h -6.169
 	Vm 28.3
 MgCl2_2H2O
-	MgCl2:2H2O  =  Mg+2 + 2 Cl- + 2 H2O
-	-analytical_expression  -10.273  0  7.403e3 # ref. 3
+	MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O
+	-analytical_expression -10.273 0 7.403e3 # ref. 3
 MgCl2_4H2O
-	MgCl2:4H2O  =  Mg+2 + 2 Cl- + 4 H2O
-	-analytical_expression  12.98  -2.013e-2 # ref. 3
+	MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O
+	-analytical_expression 12.98 -2.013e-2 # ref. 3
 Mirabilite
-	Na2SO4:10H2O  =  SO4-2 + 2 Na+ + 10 H2O
-	-analytical_expression  -301.9326  -0.16232  0  141.078 # ref. 3
+	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
+	-analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3
 	Vm 216
 Misenite
-	K8H6(SO4)7  =  6 H+ + 7 SO4-2 + 8 K+
-	log_k	   -10.806
+	K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+
+	log_k -10.806
 Nahcolite
-	NaHCO3  =  CO3-2 + H+ + Na+
-	log_k	   -10.742
-	Vm 38.0
+	NaHCO3 = CO3-2 + H+ + Na+
+	log_k -10.742
+	Vm 38
 Natron
 	Na2CO3:10H2O = CO3-2 + 2 Na+ + 10 H2O
-	log_k	   -0.825
+	log_k -0.825
 Nesquehonite
-	MgCO3:3H2O =  CO3-2 + Mg+2 + 3 H2O
-	log_k	   -5.167
+	MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O
+	log_k -5.167
 Pentahydrite
-	MgSO4:5H2O  =  Mg+2 + SO4-2 + 5 H2O
-	log_k	   -1.285
+	MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O
+	log_k -1.285
 Pirssonite
-	Na2Ca(CO3)2:2H2O = 2Na+ + Ca+2 + 2CO3-2 + 2 H2O
-	log_k	   -9.234
+	Na2Ca(CO3)2:2H2O = 2 Na+ + Ca+2 + 2 CO3-2 + 2 H2O
+	log_k -9.234
 Polyhalite
-	K2MgCa2(SO4)4:2H2O  = 2K+ +  Mg+2 + 2 Ca+2 + 4SO4-2 + 2 H2O
-	log_k	   -13.744
+	K2MgCa2(SO4)4:2H2O = 2 K+ + Mg+2 + 2 Ca+2 + 4 SO4-2 + 2 H2O
+	log_k -13.744
 	Vm 218
 Portlandite
-	Ca(OH)2 =  Ca+2 + 2 OH-
-	log_k	   -5.190
+	Ca(OH)2 = Ca+2 + 2 OH-
+	log_k -5.19
 Quartz
 	SiO2 + 2 H2O = H4SiO4
-	-log_k  -3.98;  -delta_h  5.990 kcal
+	-log_k -3.98;  -delta_h 5.99 kcal
 	-Vm 22.67
 Schoenite
-	K2Mg(SO4)2:6H2O  =  2K+ + Mg+2 + 2 SO4-2 + 6H2O
-	log_k	   -4.328
+	K2Mg(SO4)2:6H2O = 2 K+ + Mg+2 + 2 SO4-2 + 6 H2O
+	log_k -4.328
 Sepiolite(d)
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
-	-log_k	18.66
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
+	-log_k 18.66
 	-Vm 162
 Sepiolite
-	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
-	-log_k	15.760
-	-delta_h -10.700 kcal
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat
+	-log_k 15.76
+	-delta_h -10.7 kcal
 	-Vm 154
 SiO2(a)
 	SiO2 + 2 H2O = H4SiO4
-	-log_k  -2.71;  -delta_h  3.340 kcal
-	-analytic  20.42  3.107e-3  -1492  -7.68 # ref. 3
+	-log_k -2.71;  -delta_h 3.34 kcal
+	-analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3
 	-Vm 25.7
 Sylvite
-	KCl  = K+ + Cl-
-	log_k   0.90;  -delta_h 8
-	-analytical_expression  -50.571  9.8815e-2  1.3135e4  0  -1.3754e6  -7.393e-5 # ref. 3
+	KCl = K+ + Cl-
+	log_k 0.9;  -delta_h 8
+	-analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3
 	Vm 37.5
 Syngenite
-	K2Ca(SO4)2:H2O  =  2K+ + Ca+2 + 2SO4-2 + H2O
-	log_k    -6.43;  -delta_h   -32.65 # ref. 3
-	-Vm  127.3
+	K2Ca(SO4)2:H2O = 2 K+ + Ca+2 + 2 SO4-2 + H2O
+	log_k -6.43;  -delta_h -32.65 # ref. 3
+	-Vm 127.3
 Talc
 	Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 # phreeqc.dat
-	-log_k	21.399
+	-log_k 21.399
 	-delta_h -46.352 kcal
 	-Vm 140
 Thenardite
 	Na2SO4 = 2 Na+ + SO4-2
-	-analytical_expression  57.185  8.6024e-2  0  -30.8341  0  -7.6905e-5 # ref. 3
+	-analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3
 	-Vm 52.9
 Trona
-	Na3H(CO3)2:2H2O =  3 Na+ + H+ + 2CO3-2 + 2H2O
-	log_k	   -11.384
+	Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O
+	log_k -11.384
 	Vm 106
 Borax
-	Na2(B4O5(OH)4):8H2O + 2 H+  =  4 B(OH)3 + 2 Na+ +  5 H2O
-	log_k	   12.464
+	Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O
+	log_k 12.464
 	Vm 223
 Boric_acid,s
-	B(OH)3  =  B(OH)3
-	log_k	   -0.030
+	B(OH)3 = B(OH)3
+	log_k -0.03
 KB5O8:4H2O
-	KB5O8:4H2O + 3H2O + H+ = 5B(OH)3 + K+
-	log_k	   4.671
+	KB5O8:4H2O + 3 H2O + H+ = 5 B(OH)3 + K+
+	log_k 4.671
 K2B4O7:4H2O
-	K2B4O7:4H2O + H2O + 2H+ = 4B(OH)3 + 2K+
-	log_k	   13.906
+	K2B4O7:4H2O + H2O + 2 H+ = 4 B(OH)3 + 2 K+
+	log_k 13.906
 NaBO2:4H2O
-	NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3H2O
-	log_k	   9.568
+	NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3 H2O
+	log_k 9.568
 NaB5O8:5H2O
-	NaB5O8:5H2O + 2H2O + H+ = 5B(OH)3 + Na+
-	log_k	   5.895
+	NaB5O8:5H2O + 2 H2O + H+ = 5 B(OH)3 + Na+
+	log_k 5.895
 Teepleite
-	Na2B(OH)4Cl + H+ = B(OH)3 + 2Na+ + Cl- + H2O
-	log_k	   10.840
+	Na2B(OH)4Cl + H+ = B(OH)3 + 2 Na+ + Cl- + H2O
+	log_k 10.84
 CO2(g)
 	CO2 = CO2
-	log_k	-1.468
+	log_k -1.468
 	delta_h -4.776 kcal
-	-analytic   10.5624  -2.3547e-2  -3972.8  0  5.8746e5  1.9194e-5
-	-T_c  304.2 # critical T, K
-	-P_c   72.80 # critical P, atm
+	-analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5
+	-T_c 304.2 # critical T, K
+	-P_c 72.8 # critical P, atm
 	-Omega 0.225 # acentric factor
 H2O(g)
 	H2O = H2O
-	log_k  1.506; delta_h -44.03 kJ
-	-T_c  647.3 # critical T, K
-	-P_c  217.60 # critical P, atm
-	-Omega 0.344 #  acentric factor
-	-analytic   -16.5066 -2.0013E-3  2710.7  3.7646  0 2.24E-6
+	log_k 1.506; delta_h -44.03 kJ
+	-T_c 647.3 # critical T, K
+	-P_c 217.6 # critical P, atm
+	-Omega 0.344 # acentric factor
+	-analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6
 # redox-uncoupled gases
 Oxg(g)
 	Oxg = Oxg
-	-analytic -7.5001 7.8981e-003 0.0 0.0 2.0027e+005
-	T_c  154.6 ; -P_c   49.80 ; -Omega 0.021
+	-analytic -7.5001 7.8981e-3 0 0 2.0027e+5
+	T_c 154.6; -P_c 49.8; -Omega 0.021
 Hdg(g)
 	Hdg = Hdg
-	-analytic   -9.3114e+000    4.6473e-003   -4.9335e+001    1.4341e+000    1.2815e+005
-	-T_c  33.2 ; -P_c   12.80 ; -Omega -0.225
+	-analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5
+	-T_c 33.2; -P_c 12.8; -Omega -0.225
 Ntg(g)
 	Ntg = Ntg
-	-analytic -58.453 1.81800E-03  3199  17.909 -27460
-	T_c  126.2 ; -P_c   33.50 ; -Omega 0.039
+	-analytic -58.453 1.818E-3 3199 17.909 -27460
+	T_c 126.2; -P_c 33.5; -Omega 0.039
 Mtg(g)
 	Mtg = Mtg
-	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
-	T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+	-analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C
+	T_c 190.6; -P_c 45.4; -Omega 0.008
 H2Sg(g)
-	H2Sg  =  H+ + HSg-
-	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
-	T_c  373.2 ; -P_c  88.20 ; -Omega 0.1
+	H2Sg = H+ + HSg-
+	-analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	T_c 373.2; -P_c 88.2; -Omega 0.1
 PITZER
 -B0
   B(OH)4-     K+      0.035
@@ -512,14 +524,14 @@ PITZER
   Ba+2      Br-       0.31455       0           0          -0.33825E-3
   Ba+2      Cl-       0.5268        0           0           0         0     4.75e4  # ref. 3
   Ba+2      OH-       0.17175
-  Br-       H+        0.1960        0           0          -2.049E-4
+  Br-       H+        0.196         0           0          -2.049E-4
   Br-       K+        0.0569        0           0           7.39E-4
   Br-       Li+       0.1748        0           0          -1.819E-4
   Br-       Mg+2      0.4327        0           0          -5.625E-5
   Br-       Na+       0.0973        0           0           7.692E-4
   Br-       Sr+2      0.331125      0           0          -0.32775E-3
   Ca+2      Br-       0.3816        0           0          -5.2275E-4
-  Ca+2      Cl-       0.3159        0           0          -3.27e-4   1.4e-7       # ref. 3
+  Ca+2      Cl-       0.3159        0           0          -3.27e-4    1.4e-7       # ref. 3
   Ca+2      HCO3-     0.4
   Ca+2      HSO4-     0.2145
   Ca+2      OH-      -0.1747
@@ -527,13 +539,13 @@ PITZER
   CaB(OH)4+   Cl-     0.12
   Cl-       Fe+2      0.335925
   Cl-       H+        0.1775        0           0          -3.081E-4
-  Cl-       K+        0.04808    -758.48       -4.7062      0.010072   -3.7599e-6  # ref. 3
+  Cl-       K+        0.04808    -758.48       -4.7062      0.010072  -3.7599e-6   # ref. 3
   Cl-       Li+       0.1494        0           0          -1.685E-4
-  Cl-       Mg+2      0.351         0           0          -9.32e-4   5.94e-7      # ref. 3
+  Cl-       Mg+2      0.351         0           0          -9.32e-4    5.94e-7      # ref. 3
   Cl-       MgB(OH)4+  0.16
   Cl-       MgOH+    -0.1
   Cl-       Mn+2      0.327225
-  Cl-       Na+       7.534e-2   9598.4        35.48     -5.8731e-2   1.798e-5   -5e5  # ref. 3
+  Cl-       Na+       7.534e-2   9598.4        35.48     -5.8731e-2    1.798e-5   -5e5  # ref. 3
   Cl-       Sr+2      0.2858        0           0           0.717E-3
   CO3-2     K+        0.1488        0           0           1.788E-3
   CO3-2     Na+       0.0399        0           0           1.79E-3
@@ -552,21 +564,21 @@ PITZER
   K+        SO4-2     3.17e-2       0           0           9.28e-4               # ref. 3
   Li+       OH-       0.015
   Li+       SO4-2     0.136275      0           0           0.5055E-3
-  Mg+2      SO4-2     0.2135     -951           0          -2.34e-2   2.28e-5     # ref. 3
+  Mg+2      SO4-2     0.2135     -951           0          -2.34e-2    2.28e-5     # ref. 3
   Mn+2      SO4-2     0.2065
-  Na+       OH-       0.0864        0           0           7.00E-4
-  Na+       SO4-2     2.73e-2      0          -5.8         9.89e-3  0          -1.563e5 # ref. 3
-  SO4-2     Sr+2      0.200         0           0          -2.9E-3
+  Na+       OH-       0.0864        0           0           7E-4
+  Na+       SO4-2     2.73e-2       0          -5.8         9.89e-3    0          -1.563e5 # ref. 3
+  SO4-2     Sr+2      0.2           0           0          -2.9E-3
 -B1
   B(OH)4-   K+        0.14
   B(OH)4-   Na+       0.089
-  B3O3(OH)4-  Na+    -0.910
-  B4O5(OH)4-2 Na+    -0.40
+  B3O3(OH)4-  Na+    -0.91
+  B4O5(OH)4-2 Na+    -0.4
   Ba+2      Br-       1.56975       0           0           6.78E-3
   Ba+2      Cl-       0.687         0           0           1.417e-2              # ref. 3
   Ba+2      OH-       1.2
   Br-       H+        0.3564        0           0           4.467E-4
-  Br-       K+        0.2212        0           0           17.40E-4
+  Br-       K+        0.2212        0           0           17.4E-4
   Br-       Li+       0.2547        0           0           6.636E-4
   Br-       Mg+2      1.753         0           0           3.8625E-3
   Br-       Na+       0.2791        0           0           10.79E-4
@@ -581,7 +593,7 @@ PITZER
   Cl-       H+        0.2945        0           0           1.419E-4
   Cl-       K+        0.2168        0          -6.895       2.262e-2   -9.293e-6  -1e5  # ref. 3
   Cl-       Li+       0.3074        0           0           5.366E-4
-  Cl-       Mg+2      1.65          0           0          -1.09e-2     2.60e-5   # ref. 3
+  Cl-       Mg+2      1.65          0           0          -1.09e-2     2.6e-5    # ref. 3
   Cl-       MgOH+     1.658
   Cl-       Mn+2      1.55025
   Cl-       Na+       0.2769        1.377e4    46.8        -6.9512e-2   2e-5      -7.4823e5  # ref. 3
@@ -610,7 +622,7 @@ PITZER
   Ca+2      Cl-      -1.13          0           0        -0.0476                  # ref. 3
   Ca+2      OH-      -5.72                                                        
   Ca+2      SO4-2   -59.3           0           0        -0.443       -3.96e-6    # ref. 3
-  Fe+2      SO4-2   -42.0                                                         
+  Fe+2      SO4-2   -42                                                         
   HCO3-     Na+       8.22          0           0        -0.049                   # ref. 3 + new -analytic for calcite           
   Mg+2      SO4-2   -32.45          0          -3.236e3  21.812       -1.8859e-2  # ref. 3
   Mn+2      SO4-2   -40.0
@@ -621,28 +633,28 @@ PITZER
   Ba+2      Cl-      -0.143      -114.5  # ref. 3
   Br-       Ca+2     -0.00257
   Br-       H+        0.00827       0           0        -5.685E-5
-  Br-       K+       -0.00180       0           0        -7.004E-5
+  Br-       K+       -0.0018        0           0        -7.004E-5
   Br-       Li+       0.0053        0           0        -2.813E-5
   Br-       Mg+2      0.00312
-  Br-       Na+       0.00116       0           0        -9.30E-5
+  Br-       Na+       0.00116       0           0        -9.3E-5
   Br-       Sr+2      0.00122506
   Ca+2      Cl-       1.4e-4      -57          -0.098    -7.83e-4      7.18e-7    # ref. 3
   Ca+2      SO4-2     0.114  # ref. 3                                      
   Cl-       Fe+2     -0.00860725                                                  
   Cl-       H+        0.0008        0           0         6.213E-5                
-  Cl-       K+       -7.88e-4     91.27        0.58643  -1.298e-3     4.9567e-7  # ref. 3
-  Cl-       Li+       0.00359       0           0        -4.520E-5
-  Cl-       Mg+2      0.00651       0  0       -2.50e-4   2.418e-7                # ref. 3
+  Cl-       K+       -7.88e-4      91.27        0.58643  -1.298e-3     4.9567e-7  # ref. 3
+  Cl-       Li+       0.00359       0           0        -4.52E-5
+  Cl-       Mg+2      0.00651       0  0       -2.5e-4    2.418e-7                # ref. 3
   Cl-       Mn+2     -0.0204972
   Cl-       Na+       1.48e-3    -120.5        -0.2081    0            1.166e-7  11121  # ref. 3
-  Cl-       Sr+2     -0.00130
+  Cl-       Sr+2     -0.0013
   CO3-2     K+       -0.0015
   CO3-2     Na+       0.0044
   Fe+2      SO4-2     0.0209
   H+        SO4-2     0.0438
   HCO3-     K+       -0.008
   K+        OH-       0.0041
-  K+        SO4-2     8.18e-3    -625          -3.30      4.06e-3                 # ref. 3
+  K+        SO4-2     8.18e-3    -625          -3.3       4.06e-3                 # ref. 3
   Li+       SO4-2    -0.00399338    0           0        -2.33345e-4
   Mg+2      SO4-2     2.875e-2      0          -2.084     1.1428e-2   -8.228e-6   # ref. 3
   Mn+2      SO4-2     0.01636
@@ -652,8 +664,8 @@ PITZER
   B(OH)4-   Cl-      -0.065
   B(OH)4-   SO4-2    -0.012
   B3O3(OH)4-  Cl-     0.12
-  B3O3(OH)4-  HCO3-  -0.10
-  B3O3(OH)4-  SO4-2   0.10
+  B3O3(OH)4-  HCO3-  -0.1
+  B3O3(OH)4-  SO4-2   0.1
   B4O5(OH)4-2  Cl-    0.074
   B4O5(OH)4-2  HCO3- -0.087
   B4O5(OH)4-2  SO4-2  0.12
@@ -684,7 +696,7 @@ PITZER
   B(OH)3    K+       -0.14
   B(OH)3    Na+      -0.097
   B(OH)3    SO4-2     0.018
-  B3O3(OH)4-  B(OH)3 -0.20
+  B3O3(OH)4-  B(OH)3 -0.2
   Ca+2      CO2       0.183
   Ca+2      H4SiO4    0.238    # ref. 3
   Cl-       CO2      -0.005
@@ -770,52 +782,52 @@ PITZER
   HSO4-     Mg+2      SO4-2     -0.0425
   HSO4-     Na+       SO4-2     -0.0094
   K+        Mg+2      SO4-2     -0.048
-  K+        Na+       SO4-2     -0.010
-  K+        OH-       SO4-2     -0.050
+  K+        Na+       SO4-2     -0.01
+  K+        OH-       SO4-2     -0.05
   Mg+2      Na+       SO4-2     -0.015
   Na+       OH-       SO4-2     -0.009
 EXCHANGE_MASTER_SPECIES
-	X       X-
+	X X-
 EXCHANGE_SPECIES
 	X- = X-
-	log_k	   0.0
+	log_k 0
 
 	Na+ + X- = NaX
-	log_k   0.0
+	log_k 0
 
 	K+ + X- = KX
-	log_k   0.7
-	delta_h  -4.3   # Jardine & Sparks, 1984
+	log_k 0.7
+	delta_h -4.3 # Jardine & Sparks, 1984
 
 	Li+ + X- = LiX
-	log_k   -0.08
-	delta_h  1.4    # Merriam & Thomas, 1956
+	log_k -0.08
+	delta_h 1.4 # Merriam & Thomas, 1956
 
-	Ca+2 + 2X- = CaX2
-	log_k   0.8
-	delta_h  7.2    # Van Bladel & Gheyl, 1980
+	Ca+2 + 2 X- = CaX2
+	log_k 0.8
+	delta_h 7.2 # Van Bladel & Gheyl, 1980
 
-	Mg+2 + 2X- = MgX2
-	log_k   0.6
-	delta_h  7.4    # Laudelout et al., 1968
+	Mg+2 + 2 X- = MgX2
+	log_k 0.6
+	delta_h 7.4 # Laudelout et al., 1968
 
-	Sr+2 + 2X- = SrX2
-	log_k   0.91
-	delta_h  5.5    # Laudelout et al., 1968
+	Sr+2 + 2 X- = SrX2
+	log_k 0.91
+	delta_h 5.5 # Laudelout et al., 1968
 
-	Ba+2 + 2X- = BaX2
-	log_k   0.91
-	delta_h  4.5    # Laudelout et al., 1968
+	Ba+2 + 2 X- = BaX2
+	log_k 0.91
+	delta_h 4.5 # Laudelout et al., 1968
 
-	Mn+2 + 2X- = MnX2
-	log_k   0.52
+	Mn+2 + 2 X- = MnX2
+	log_k 0.52
 
-	Fe+2 + 2X- = FeX2
-	log_k   0.44
+	Fe+2 + 2 X- = FeX2
+	log_k 0.44
 
 SURFACE_MASTER_SPECIES
-	Hfo_s  Hfo_sOH
-	Hfo_w  Hfo_wOH
+	Hfo_s Hfo_sOH
+	Hfo_w Hfo_wOH
 SURFACE_SPECIES
 #   All surface data from
 #   Dzombak and Morel, 1990
@@ -826,52 +838,52 @@ SURFACE_SPECIES
 #   strong binding site--Hfo_s,
 
 	Hfo_sOH = Hfo_sOH
-	log_k  0.0
+	log_k 0
 
-	Hfo_sOH  + H+ = Hfo_sOH2+
-	log_k  7.29    # = pKa1,int
+	Hfo_sOH + H+ = Hfo_sOH2+
+	log_k 7.29 # = pKa1,int
 
 	Hfo_sOH = Hfo_sO- + H+
-	log_k  -8.93   # = -pKa2,int
+	log_k -8.93 # = -pKa2,int
 
 #   weak binding site--Hfo_w
 
 	Hfo_wOH = Hfo_wOH
-	log_k  0.0
+	log_k 0
 
-	Hfo_wOH  + H+ = Hfo_wOH2+
-	log_k  7.29    # = pKa1,int
+	Hfo_wOH + H+ = Hfo_wOH2+
+	log_k 7.29 # = pKa1,int
 
 	Hfo_wOH = Hfo_wO- + H+
-	log_k  -8.93   # = -pKa2,int
+	log_k -8.93 # = -pKa2,int
 
 ###############################################
-#	     CATIONS			 #
+#	CATIONS			#
 ###############################################
 #
 #   Cations from table 10.1 or 10.5
 #
 #   Calcium
 	Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-	log_k  4.97
+	log_k 4.97
 
 	Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
 	log_k -5.85
 #   Strontium
 	Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-	log_k  5.01
+	log_k 5.01
 
 	Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
 	log_k -6.58
 
-	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
-	log_k -17.60
+	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+	log_k -17.6
 #   Barium
 	Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-	log_k  5.46
+	log_k 5.46
 
 	Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-	log_k  -7.2		     # table 10.5
+	log_k -7.2 # table 10.5
 #
 #   Derived constants table 10.5
 #
@@ -880,10 +892,10 @@ SURFACE_SPECIES
 	log_k -4.6
 #   Manganese
 	Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-	log_k  -0.4		     # table 10.5
+	log_k -0.4 # table 10.5
 
 	Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-	log_k -3.5		      # table 10.5
+	log_k -3.5 # table 10.5
 # Iron
 #	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
 #	log_k   0.7     # LFER using table 10.5
@@ -892,17 +904,17 @@ SURFACE_SPECIES
 #	log_k -2.5      # LFER using table 10.5
 
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
-	 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-	 log_k   -0.95
+	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+	log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
-	 Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
-	 log_k -2.98
+	Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+	log_k -2.98
 
-	 Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
-	 log_k -11.55
+	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
+	log_k -11.55
 
 ###############################################
-#	     ANIONS			  #
+#	ANIONS			#
 ###############################################
 #
 #   Anions from table 10.6
@@ -912,56 +924,54 @@ SURFACE_SPECIES
 #
 #   Borate
 	Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
-	log_k   0.62
+	log_k 0.62
 #
 #   Anions from table 10.8
 #
 #   Sulfate
 	Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-	log_k   7.78
+	log_k 7.78
 
 	Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-	log_k   0.79
+	log_k 0.79
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for HFO
 # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
 #
 	Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-	log_k   12.56
+	log_k 12.56
 
-	Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-	log_k   20.62
+	Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+	log_k 20.62
 #
 # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422.
 #
-	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O        ; log_K   4.28 
-	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O  ; log_K  -3.22 
-	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69
-
-END
-MEAN GAM
-CaCl2
-CaSO4
-CaCO3
-Ca(OH)2
-MgCl2
-MgSO4
-MgCO3
-Mg(OH)2
-NaCl
-Na2SO4
-NaHCO3
-Na2CO3
-NaOH
-KCl
-K2SO4
-KHCO3
-K2CO3
-KOH
-HCl
-H2SO4
-HBr
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
 
+MEAN_GAMMAS
+CaCl2    Ca+2  1  Cl-    2
+CaSO4    Ca+2  1  SO4-2  1
+CaCO3    Ca+2  1  CO3-2  1
+Ca(OH)2  Ca+2  1  OH-    2
+MgCl2    Mg+2  1  Cl-    2
+MgSO4    Mg+2  1  SO4-2  1
+MgCO3    Mg+2  1  CO3-2  1
+Mg(OH)2  Mg+2  1  OH-    2
+NaCl     Na+   1  Cl-    1
+Na2SO4   Na+   2  SO4-2  1
+NaHCO3   Na+   1  HCO3-  1
+Na2CO3   Na+   2  CO3-2  1
+NaOH     Na+   1  OH-    1
+KCl      K+    1  Cl-    1
+K2SO4    K+    2  SO4-2  1
+HCO3     K+    1  HCO3-  1
+K2CO3    K+    2  CO3-2  1
+KOH      K+    1  OH-    1
+HCl      H+    1  Cl-    1
+H2SO4    H+    2  SO4-2  1
+HBr      H+    1  Br-    1
 END
 
 # For the reaction aA + bB = cC + dD,
@@ -975,14 +985,14 @@ END
 #    H2O    0.49   0.19   0.19   0.49
 # =============================================================================================
 # The molar volumes of solids are entered with
-#                         -Vm vm cm3/mol
+#                         -Vm	vm cm3/mol
 #    vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
 # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
 #   Deer, Howie and Zussman, The rock-forming minerals, Longman.
 #                           --------------------
 # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
 #   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with
-#                        -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
+#                        -Vm	a1 a2 a3 a4 W a0 i1 i2 i3 i4
 # The volume (cm3/mol) is
 #    Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb)  + a3 / (T - 228) +
 #                            a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
diff --git a/database/sit.dat b/database/sit.dat
index 596a0d32..a14fc99d 100644
--- a/database/sit.dat
+++ b/database/sit.dat
@@ -1,15343 +1,14348 @@
+
+SOLUTION_SPECIES
 # PHREEQC database
-# Thermodynamic database ANDRA/RWM - THERMOCHIMIE-TDB (www.thermochimie-tdb.com)
-# Version 9b0
-# Nom : ThermoChimie project
-# BDD Date: 10/8/2015
-# Comment: no comment
-
-# NAMED_EXPRESSIONS
-
-#
-# formation of O2 from H2O
-# 2H2O =  O2 + 4H+ + 4e-
-#
-#      Log_K_O2
-#      log_k -85.980
-#      delta_H  559.526  kJ/mol
-#
-#      -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0
-
+# Thermodynamic database ANDRA - NWS - ONDRAF THERMO_CHIMIE (www.thermochimie-tdb.com)
+# Version 12a
+# Name : ThermoChimie project
+# Database date: 22/08/2023 0:00:00
+# Generated by XCheck Tool v5.2.0
+# Comment: tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html 
+# Redox states modified by David Parkhurst May 18, 2024
+# GFW of S(6) and Si modified by David Parkhurst May 18, 2024
 SOLUTION_MASTER_SPECIES
-
-#element      species       alk           gfw_formula   element_gfw
-E             e-             0            0             0
-Acetate       Acetate-       0            Acetate       59.01
-Adipate       Adipate-2      0            Adipate       144.07
-Ag            Ag+            0            Ag            107.8682
-Al            Al+3           0            Al            26.9815
-Alkalinity    CO3-2          1            Ca0.5(CO3)0.5 50.05
-Am            Am+3           0            Am            243
-Am(+2)        Am+2           0            Am            243
-Am(+3)        Am+3           0            Am            243
-Am(+4)        Am+4           0            Am            243
-Am(+5)        AmO2+          0            Am            243
-Am(+6)        AmO2+2         0            Am            243
-As            AsO4-3         0            As            74.9216
-As(+3)        H3(AsO3)       0            As            74.9216
-As(+5)        AsO4-3         2            As            74.9216
-B             B(OH)4-        1            B             10.811
-Ba            Ba+2           0            Ba            137.327
-Br            Br-            0            Br            79.904
-C             CO3-2          2            CO3           12.011
-C(+4)         CO3-2          2            CO3           12.011
-C(-4)         CH4            0            CH4           12.011
-Ca            Ca+2           0            Ca            40.078
-Cd            Cd+2           0            Cd            112.411
-Cit           Cit-3          0            Cit           189.1013
-Cl            Cl-            0            Cl            35.4527
-Cm            Cm+3           0            Cm            247
-Cn            Cn-            0            Cn            26.018
-Co            Co+2           0            Co            58.9332
-Cr            CrO4-2         0            CrO4          51.9961
-Cr(+2)        Cr+2           0            Cr            51.9961
-Cr(+3)        Cr+3          -1            Cr            51.9961
-Cr(+6)        CrO4-2         1            CrO4          51.9961
-Cs            Cs+            0            Cs            132.9054
-Cu            Cu+2           0            Cu            63.546
-Cu(+1)        Cu+            0            Cu            63.546
-Cu(+2)        Cu+2           0            Cu            63.546
-Edta          Edta-4         0            Edta          288.2134
-Eu            Eu+3           0            Eu            151.965
-Eu(+2)        Eu+2           0            Eu            151.965
-Eu(+3)        Eu+3           0            Eu            151.965
-F             F-             0            F             18.9984
-Fe            Fe+2           0            Fe            55.847
-Fe(+2)        Fe+2           0            Fe            55.847
-Fe(+3)        Fe+3           0            Fe            55.847
-Glu           HGlu-          0            Glu           195.1459
-H             H+            -1            H             1.0079
-H(+1)         H+            -1            H             1.0079
-H(0)          H2             0            H             1.0079
-Hf            Hf+4          -4            Hf            178.49
-Hg            Hg+2           0            Hg            200.59
-Hg(+2)        Hg+2           0            Hg            200.59
-Hg(+1)        Hg2+2          0            Hg2           401.18
-Ho            Ho+3           0            Ho            164.9303
-I             I-             0            I             126.9045
-I(+5)         IO3-           0            I             126.9045
-I(-1)         I-             0            I             126.9045
-Isa           HIsa-          0            HIsa          180.1548
-K             K+             0            K             39.0983
-Li            Li+            0            Li            6.941
-Malonate      Malonate-2     0            Malonate      63.99
-Mg            Mg+2           0            Mg            24.305
-Mn            Mn+2           0            Mn            54.938
-Mo            MoO4-2         0            Mo            95.94
-N             NO3-           0            N             14.0067
-N(+5)         NO3-           0            N             14.0067
-N(-3)         NH3            1            N             14.0067
-Na            Na+            0            Na            22.9898
-Nb            Nb(OH)6-       0            Nb            92.9064
-Ni            Ni+2           0            Ni            58.69
-Np            NpO2+2         0            Np            237.048
-Np(+3)        Np+3           0            Np            237.048
-Np(+4)        Np+4           0            Np            237.048
-Np(+5)        NpO2+          0            Np            237.048
-Np(+6)        NpO2+2         0            Np            237.048
-Nta           Nta-3          0            Nta           188.1165
-O             H2O            0            O             15.999
-O(0)          O2             0            O             15.9994
-O(-2)         H2O            0            O             15.9994
-Ox            Ox-2           0            Ox            88.0196
-P             H2(PO4)-       1            P             30.9738
-Pa            Pa+4           0            Pa            231.0359
-Pa(+4)        Pa+4           0            Pa            231.0359
-Pa(+5)        PaO2+          0            Pa            231.0359
-Pb            Pb+2           0            Pb            207.2
-Pd            Pd+2          -2            Pd            106.42
-Phthalat      Phthalat-2     0            Phthalat      164.084
-Pu            PuO2+2         0            Pu            244
-Pu(+3)        Pu+3           0            Pu            244
-Pu(+4)        Pu+4           0            Pu            244
-Pu(+5)        PuO2+          0            Pu            244
-Pu(+6)        PuO2+2         0            Pu            244
-Pyrophos      Pyrophos-4     0            Pyrophos      173.95
-Ra            Ra+2           0            Ra            226.025
-Rb            Rb+            0            Rb            85.4678
-S             SO4-2          0            SO4           32.066
-S(+2)         S2O3-2         0            S             32.066
-S(+3)         S2O4-2         0            S2O4-2        128.128
-S(+4)         SO3-2          0            S             32.066
-S(+6)         SO4-2          0            SO4           32.066
-S(-2)         HS-            1            S             32.066
-Sb            Sb(OH)3        0            Sb            121.76
-Sb(+3)        Sb(OH)3        0            Sb            121.76
-Sb(+5)        Sb(OH)5        0            Sb            121.76
-Scn           Scn-           0            Scn           58.084
-Se            SeO4-2         0            Se            78.96
-Se(+4)        SeO3-2         0            Se            78.96
-Se(+6)        SeO4-2         0            Se            78.96
-Se(-2)        HSe-           0            Se            78.96
-Si            H4(SiO4)       0            Si            28.0855
-Sm            Sm+3           0            Sm            150.36
-Sn            Sn+2          -1            Sn            118.71
-Sn(+2)        Sn+2          -1            Sn            118.71
-Sn(+4)        Sn+4          -4            Sn            118.71
-Sr            Sr+2           0            Sr            87.62
-Suberate      Suberate-2     0            Suberate      170.16
-Succinat      Succinat-2     0            Succinat      116.07
-Tc            TcO(OH)2       0            Tc            98
-Tc(+4)        TcO(OH)2       0            Tc            98
-Tc(+6)        TcO4-2         0            Tc            98
-Tc(+7)        TcO4-          0            Tc            98
-Th            Th+4          -3            Th            232.0381
-U             UO2+2          0            U             238.0289
-U(+3)         U+3            0            U             238.0289
-U(+4)         U+4            0            U             238.0289
-U(+5)         UO2+           0            U             238.0289
-U(+6)         UO2+2          0            U             238.0289
-Zn            Zn+2           0            Zn            65.39
-Zr            Zr+4          -4            Zr            91.22
-
+#element       species        alk            gfw_formula    element_gfw    
+E              e-             1              0              0        
+# DLP: Set Alkalinity to 1 to account for non-master species with e- in equations      
+Alkalinity     CO3-2          1              Ca0.5(CO3)0.5  50.0436        
+Adipate        Adipate-2      1              Adipate        144.0700       
+Acetate        Acetate-       1              Acetate        59.0100        
+Ag             Ag+            -2             Ag             107.8682       
+Al             Al+3           0              Al             26.9815        
+Am             Am+3           0              Am             243.0000       
+Am(+3)         Am+3           0              Am             243.0000       
+Am(+2)         Am+2           0              Am             243.0000       
+Am(+4)         Am+4           0              Am             243.0000       
+Am(+5)         AmO2+          0              Am             243.0000       
+Am(+6)         AmO2+2         0              Am             243.0000       
+As             AsO4-3         2              As             74.9216        
+As(+5)         AsO4-3         2              As             74.9216        
+As(+3)         H3(AsO3)       0              As             74.9216        
+B              B(OH)4-        1              B              10.8110        
+Ba             Ba+2           0              Ba             137.3270       
+Be             Be+2           0              Be             9.0122         
+Br             Br-            0              Br             79.9040        
+C              CO3-2          2              C              12.0110 
+C(2)           CO             0              C       # DLP
+C(+4)          CO3-2          2              C              12.0110        
+C(-4)          CH4            0              C              12.0110        
+Ca             Ca+2           0              Ca             40.0780        
+Cd             Cd+2           -1             Cd             112.4110       
+Cit            Cit-3          1              Cit            189.1013       
+Cl             Cl-            0              Cl             35.4527   
+Cl(-1)         Cl-            0              Cl      # DLP
+Cl(0)          Cl2            0              Cl      # DLP
+Cl(7)          ClO4-          0              Cl      # DLP
+Cm             Cm+3           0              Cm             247.0000       
+Co             Co+2           0              Co             58.9332        
+Cr             CrO4-2         1              Cr             51.9961        
+Cr(+6)         CrO4-2         1              Cr             51.9961        
+Cr(+2)         Cr+2           -1             Cr             51.9961        
+Cr(+3)         Cr+3           2              Cr             51.9961        
+Cs             Cs+            0              Cs             132.9054       
+Cu             Cu+2           0              Cu             63.5460        
+Cu(+2)         Cu+2           0              Cu             63.5460        
+Cu(+1)         Cu+            -2             Cu             63.5460        
+Edta           Edta-4         2              Edta           288.2134       
+Eu             Eu+3           0              Eu             151.9650       
+Eu(+3)         Eu+3           0              Eu             151.9650       
+Eu(+2)         Eu+2           0              Eu             151.9650       
+F              F-             0              F              18.9984        
+Fe             Fe+2           0              Fe             55.8470        
+Fe(+2)         Fe+2           0              Fe             55.8470        
+Fe(+3)         Fe+3           -2             Fe             55.8470        
+Glu            HGlu-          0              Glu            194.1380       
+H              H+             -1             H              1.0079         
+H(+1)          H+             -1             H              1.0079         
+H(0)           H2             0              H              1.0079         
+Hf             Hf+4           -4             Hf             178.4900       
+Hg             Hg+2           -2             Hg             200.5900       
+Hg(+2)         Hg+2           -2             Hg             200.5900       
+Hg(+1)         Hg2+2          0              Hg             200.5900       
+Ho             Ho+3           0              Ho             164.9303       
+I              I-             0              I              126.9045       
+I(-1)          I-             0              I              126.9045  
+I(1)           IO-            0              I # DLP 
+I(+5)          IO3-           0              I              126.9045  
+I(7)           IO4-           0              I # DLP
+Isa            HIsa-          0              Isa            178.1421       
+K              K+             0              K              39.0983        
+Li             Li+            0              Li             6.9410         
+Malonate       Malonate-2     1              Malonate       102.0464       
+Mg             Mg+2           0              Mg             24.3050        
+Mn             Mn+2           0              Mn             54.9380 
+Mn(+2)         Mn+2           0              Mn # DLP
+Mn(+3)         Mn+3           0              Mn # DLP
+Mn(+5)         MnO4-3         0              Mn # DLP
+Mn(+6)         MnO4-2         0              Mn # DLP
+Mn(+7)         MnO4-          0              Mn # DLP 
+Mo             MoO4-2         0              Mo             95.9400 
+Mo(6)          MoO4-2         0              Mo # DLP
+Mo(3)          Mo+3           0              Mo # DLP       
+N              NO3-           0              N              14.0067        
+N(+5)          NO3-           0              N              14.0067        
+N(-3)          NH3            1              N              14.0067        
+Na             Na+            0              Na             22.9898        
+Nb             Nb(OH)6-       1              Nb             92.9064        
+Ni             Ni+2           0              Ni             58.6900        
+Np             NpO2+2         0              Np             237.0480       
+Np(+6)         NpO2+2         0              Np             237.0480       
+Np(+3)         Np+3           0              Np             237.0480       
+Np(+4)         Np+4           -3             Np             237.0480       
+Np(+5)         NpO2+          0              Np             237.0480       
+Nta            Nta-3          1              Nta            188.1165       
+O              H2O            0              O              15.9994        
+O(-2)          H2O            0              O              15.9994        
+O(0)           O2             0              O              15.9994        
+Ox             Ox-2           0              Ox             88.0196        
+P              H2(PO4)-       0              P              30.9738        
+Pa             Pa+4           -3             Pa             231.0359       
+Pa(+4)         Pa+4           -3             Pa             231.0359       
+Pa(+5)         PaO2+          0              Pa             231.0359       
+Pb             Pb+2           -1             Pb             207.2000       
+Pd             Pd+2           -4             Pd             106.4200       
+Phthalat       Phthalat-2     2              Phthalat       164.0840       
+Pu             PuO2+2         0              Pu             244.0000       
+Pu(+6)         PuO2+2         0              Pu             244.0000       
+Pu(+3)         Pu+3           0              Pu             244.0000       
+Pu(+4)         Pu+4           -3             Pu             244.0000       
+Pu(+5)         PuO2+          -1             Pu             244.0000       
+Pyrophos       Pyrophos-4     2              Pyrophos       173.9500       
+Ra             Ra+2           0              Ra             226.0250       
+Rb             Rb+            0              Rb             85.4678        
+S              SO4-2          0              S              32.0660        
+S(+6)          SO4-2          0              SO4            32.0660       # DLP  
+S(-2)          HS-            1              S              32.0660        
+S(+2)          S2O3-2         0              S              32.0660        
+S(+3)          S2O4-2         0              S              32.0660        
+S(+4)          SO3-2          1              S              32.0660 
+S(8)           HSO5-          0              S # DLP
+Sb             Sb(OH)3        0              Sb             121.7600       
+Sb(+3)         Sb(OH)3        0              Sb             121.7600       
+Sb(+5)         Sb(OH)5        -6             Sb             121.7600       
+Se             SeO4-2         0              Se             78.9600        
+Se(+6)         SeO4-2         0              Se             78.9600        
+Se(-2)         HSe-           -1             Se             78.9600        
+Se(+4)         SeO3-2         1              Se             78.9600        
+Si             H4(SiO4)       0              SiO2           28.0855        # DLP
+Sm             Sm+3           0              Sm             150.3600       
+Sn             Sn+2           -2             Sn             118.7100       
+Sn(+2)         Sn+2           -2             Sn             118.7100       
+Sn(+4)         Sn+4           -4             Sn             118.7100       
+Sr             Sr+2           0              Sr             87.6200        
+Succinat       Succinat-2     1              Succinat       116.0700       
+Suberate       Suberate-2     1              Suberate       172.1804       
+Tc             TcO(OH)2       0              Tc             98.0000        
+Tc(+4)         TcO(OH)2       0              Tc             98.0000        
+Tc(+7)         TcO4-          0              Tc             98.0000        
+Tc(+6)         TcO4-2         0              Tc             98.0000        
+Th             Th+4           0              Th             232.0381       
+U              UO2+2          0              U              238.0289       
+U(+6)          UO2+2          0              U              238.0289       
+U(+3)          U+3            0              U              238.0289       
+U(+4)          U+4            -3             U              238.0289       
+U(+5)          UO2+           0              U              238.0289       
+Zn             Zn+2           0              Zn             65.3900        
+Zr             Zr+4           -4             Zr             91.2200        
 
 SIT
 -epsilon
 
-(NpO2)2(OH)2+2 Cl- -0.248
-(NpO2)2(OH)2+2 ClO4- 0.57
-(NpO2)2CO3(OH)3- Na+ 0
-(NpO2)3(CO3)6-6 Na+ -0.46
-(NpO2)3(OH)5+ Cl- -0.226
-(NpO2)3(OH)5+ ClO4- 0.45
-(PuO2)2(OH)2+2 Cl- -0.248
-(PuO2)3(CO3)6-6 Na+ -0.46
-(UO2)2(CO3)(OH)3- Na+ 0
-(UO2)2(NpO2)(CO3)6-6 Na+ 0.09
-(UO2)2(OH)2+2 Cl- 0.69
-(UO2)2(OH)2+2 ClO4- 0.57
-(UO2)2(OH)2+2 NO3- 0.49
-(UO2)3(CO3)6-6 Na+ 0.37
-(UO2)3(OH)4+2 Cl- 0.5
-(UO2)3(OH)5+ Cl- 0.81
-Ag(SeO3)- Na+ -0.024
-Ag+ Cl- 0.031
-Al(OH)+2 Cl- 0.09
-Al(OH)2+ Cl- 0.09
-Al+3 Cl- 0.33
-Am(CO3)+ Cl- 0.129
-Am(CO3)+ ClO4- 0.17
-Am(CO3)2- Na+ -0.14
-Am(CO3)3-3 Na+ -0.23
-Am(CO3)5-6 Na+ -0.3
-Am(Edta)- Na+ 0.01
-Am(H2PO4)+2 Cl- 0.191
-Am(H2PO4)+2 ClO4- 0.39
-Am(NO3)+2 Cl- 0.191
-Am(NO3)+2 ClO4- 0.39
-Am(OH)+2 Cl- -0.04
-Am(OH)+2 ClO4- 0.39
-Am(OH)2+ Cl- -0.29
-Am(OH)2+ ClO4- 0.17
-Am(Ox)+ ClO4- 0.08
-Am(Ox)2- Na+ -0.21
-Am(Ox)3-3 Na+ -0.23
-Am(SO4)+ Cl- 0.157
-Am(SO4)+ ClO4- 0.22
-Am(SO4)2- Na+ -0.05
-Am+3 Cl- 0.23
-Am+3 ClO4- 0.49
-AmCl+2 Cl- 0.191
-AmCl+2 ClO4- 0.39
-AmCl2+ Cl- 0.129
-AmF+2 Cl- 0.191
-AmF+2 ClO4- 0.39
-AmF2+ Cl- 0.129
-AmF2+ ClO4- 0.17
-AmO2(CO3)- Na+ -0.18
-AmO2(CO3)2-3 Na+ -0.33
-AmO2(CO3)3-5 Na+ -0.53
-AmO2+ Cl- 0.09
-AmO2+2 Cl- 0.39
-B(OH)4- Na+ -0.07
-Ba+2 Cl- 0.07
-Ba+2 ClO4- 0.15
-Ba+2 NO3- -0.28
-Br- Na+ 0.05
-CO3-2 Na+ -0.08
-Ca+2 Cl- 0.14
-Ca+2 ClO4- 0.27
-Ca+2 NO3- 0.02
-Ca4Th(OH)8+4 Cl- -0.01
-Ca4Th(OH)8+4 ClO4- 0.21
-Cd(HCO3)+ Cl- 0.2
-Cd+2 Cl- 0.16
-Cd+2 NO3- 0.09
-CdCl+ Cl- 0.127
-CdCl+ ClO4- 0.25
-CdI+ Cl- 0.136
-CdI+ ClO4- 0.27
-Cit-3 Na+ -0.076
-Cl- Na+ 0.03
-Cm(CO3)2- Na+ 0.34
-Cm(CO3)3-3 Na+ 0.16
-Cm(H2PO4)+2 Cl- 0.191
-Cm(H2PO4)+2 ClO4- 0.39
-Cm(OH)+2 Cl- -0.04
-Cm(OH)+2 ClO4- 0.39
-Cm(OH)2+ Cl- -0.27
-Cm(OH)2+ ClO4- 0.17
-Cm(SO4)2- Na+ -0.05
-Cm+3 Cl- 0.23
-Cm+3 ClO4- 0.49
-CmCO3+ Cl- 0.35
-CmCl+2 Cl- 0.191
-CmCl+2 ClO4- 0.39
-CmCl2+ Cl- 0.129
-CmF+2 ClO4- 0.39
-CmF2+ ClO4- 0.17
-CmNO3+2 ClO4- 0.39
-CmSO4+ Cl- 0.157
-CmSO4+ ClO4- 0.22
-Cn- Na+ 0.07
-Co+2 Cl- 0.16
-Co+2 ClO4- 0.34
-Co+2 NO3- 0.14
-Cr+3 Cl- 0.3
-Cr+3 NO3- 0.27
-Cu+ ClO4- 0.11
-Cu+2 Cl- 0.08
-Cu+2 ClO4- 0.32
-Cu+2 NO3- 0.11
-Edta-4 Na+ 0.32
-Eu(CO3)+ Cl- 0.129
-Eu(CO3)+ ClO4- 0.17
-Eu(CO3)2- Na+ -0.14
-Eu(CO3)3-3 Na+ -0.23
-Eu(H2PO4)+2 Cl- 0.191
-Eu(H2PO4)+2 ClO4- 0.39
-Eu(NO3)+2 Cl- 0.191
-Eu(NO3)+2 ClO4- 0.39
-Eu(OH)+2 Cl- -0.04
-Eu(OH)+2 ClO4- 0.39
-Eu(OH)2+ Cl- -0.29
-Eu(OH)2+ ClO4- 0.17
-Eu(SO4)+ Cl- 0.157
-Eu(SO4)+ ClO4- 0.22
-Eu(SO4)2- Na+ -0.05
-Eu+3 Cl- 0.23
-Eu+3 ClO4- 0.49
-EuCl+2 Cl- 0.191
-EuCl+2 ClO4- 0.39
-EuCl2+ Cl- 0.129
-EuF+2 Cl- 0.191
-EuF2+ Cl- 0.129
-F- Na+ 0.02
-Fe(OH)+2 Cl- 0.186
-Fe+3 ClO4- 0.56
-Fe+3 NO3- 0.42
-H(Cit)-2 Na+ -0.04
-H(Edta)-3 Na+ -0.1
-H(Ox)- Na+ -0.07
-H(SO4)- Na+ -0.01
-H(SeO3)- Na+ 0.02
-H(SeO4)- Na+ 0
-H+ Cl- 0.12
-H+ ClO4- 0.14
-H+ NO3- 0.07
-H2(Cit)- Na+ -0.05
-H2(Edta)-2 Na+ -0.37
-H2(PO4)- Na+ -0.08
-H2(SiO4)-2 Na+ -0.1
-H3(Edta)- Na+ -0.33
-H3(SiO4)- Na+ -0.08
-H5(Edta)+ Cl- -0.23
-H5(Edta)+ ClO4- -0.23
-H5(Edta)+ NO3- -0.23
-H6(Edta)+2 Cl- -0.2
-H6(Edta)+2 ClO4- -0.2
-H6(Edta)+2 NO3- -0.2
-HCO3- Na+ 0
-HGlu- Na+ -0.07
-HIsa- Na+ -0.07
-HMoO4- Na+ -0.099
-HPO4-2 Na+ -0.15
-Hf(NO3)2+2 ClO4- 0.84
-Hf(OH)+3 ClO4- 0.57
-Hf+4 Cl- 0.89
-Hf+4 ClO4- 0.89
-Hf+4 NO3- 0.89
-HfCl+3 ClO4- 0.87
-HfCl2+2 ClO4- 0.84
-HfF+3 ClO4- 0.63
-HfF2+2 ClO4- 0.47
-HfNO3+3 ClO4- 0.91
-Hg(SeO3)2-2 Na+ 0.008
-Hg+2 Cl- 0.168
-Hg2+2 Cl- 0.054
-Ho(CO3)+ Cl- 0.129
-Ho(CO3)+ ClO4- 0.17
-Ho(CO3)2- Na+ -0.14
-Ho(CO3)3-3 Na+ -0.23
-Ho(H2PO4)+2 Cl- 0.191
-Ho(H2PO4)+2 ClO4- 0.39
-Ho(NO3)+2 Cl- 0.191
-Ho(NO3)+2 ClO4- 0.39
-Ho(OH)+2 Cl- -0.04
-Ho(OH)+2 ClO4- 0.39
-Ho(OH)2+ Cl- -0.29
-Ho(OH)2+ ClO4- 0.17
-Ho(SO4)+ Cl- 0.157
-Ho(SO4)+ ClO4- 0.22
-Ho(SO4)2- Na+ -0.05
-Ho+3 Cl- 0.23
-Ho+3 ClO4- 0.49
-HoCl+2 Cl- 0.191
-HoCl+2 ClO4- 0.39
-HoCl2+ Cl- 0.129
-HoF+2 Cl- 0.191
-HoF+2 ClO4- 0.39
-HoF2+ Cl- 0.129
-HoF2+ ClO4- 0.17
-I- Na+ 0.08
-IO3- Na+ -0.06
-K+ Cl- 0
-K+ NO3- -0.11
-Li+ Cl- 0.1
-Li+ ClO4- 0.15
-Li+ NO3- 0.08
-Mg(Cit)- Na+ 0.03
-Mg(Edta)-2 Na+ -0.01
-Mg(HEdta)- Na+ 0.11
-Mg(Ox)2-2 Na+ -0.15
-Mg+2 Cl- 0.19
-Mg+2 ClO4- 0.33
-Mg+2 NO3- 0.17
-Mn+2 Cl- 0.13
-Mo7O21(OH)3-3 Na+ -1.455
-Mo7O22(OH)2-4 Na+ -1.346
-Mo7O23(OH)-5 Na+ -1.145
-Mo7O24-6 Na+ -1.265
-MoO4-2 Na+ 0.034
-NH4+ Cl- -0.01
-NH4+ ClO4- -0.08
-NH4+ NO3- -0.06
-NO3- Na+ -0.04
-Na+ ClO4- 0.01
-Ni(CO3)2-2 Na+ 0.003
-Ni(Cit)- Na+ 0.22
-Ni(Cn)4-2 Na+ 0.185
-Ni(Cn)5-3 Na+ 0.25
-Ni(HCO3)+ Cl- 0.085
-Ni(NO3)+ Cl- 0.06
-Ni(NO3)+ ClO4- 0.44
-Ni(OH)+ Cl- -0.01
-Ni(OH)+ ClO4- 0.14
-Ni(OH)3- Na+ 0.88
-Ni(SO4)2-2 Na+ -0.263
-Ni(Scn)+ Cl- 0.11
-Ni(Scn)+ ClO4- 0.31
-Ni(Scn)3- Na+ 0.66
-Ni+2 Cl- 0.17
-Ni+2 ClO4- 0.37
-Ni+2 NO3- 0.182
-Ni4(OH)4+4 ClO4- 1.08
-NiCl+ Cl- 0.1
-NiCl+ ClO4- 0.34
-NiF+ Cl- 0.065
-NiF+ ClO4- 0.34
-NiHS+ ClO4- -0.85
-Np(CO3)(OH)3- Na+ -0.11
-Np(CO3)+ Cl- 0.129
-Np(CO3)+ ClO4- 0.17
-Np(CO3)2- Na+ -0.14
-Np(CO3)3-3 Na+ -0.23
-Np(CO3)4-4 Na+ -0.09
-Np(CO3)5-6 Na+ 0
-Np(NO3)+3 ClO4- 0.71
-Np(OH)+2 Cl- -0.04
-Np(OH)+2 ClO4- 0.39
-Np(OH)+3 Cl- 0.2
-Np(OH)+3 ClO4- 0.5
-Np(OH)2+ Cl- -0.29
-Np(OH)2+ ClO4- 0.17
-Np(OH)2+2 Cl- 0.1
-Np(OH)3+ Cl- 0.05
-Np(OH)4(CO3)-2 Na+ -0.13
-Np(SO4)+ Cl- 0.157
-Np(SO4)+ ClO4- 0.22
-Np(SO4)+2 Cl- 0.232
-Np(SO4)+2 ClO4- 0.48
-Np(SO4)2- Na+ -0.05
-Np+3 Cl- 0.23
-Np+3 ClO4- 0.49
-Np+4 Cl- 0.4
-Np+4 ClO4- 0.84
-NpCl+3 ClO4- 0.81
-NpF+3 ClO4- 0.58
-NpF2+2 Cl- 0.186
-NpF2+2 ClO4- 0.38
-NpF3+ Cl- 0.1
-NpI+3 ClO4- 0.77
-NpO2(CO3)- Na+ -0.18
-NpO2(CO3)2-2 Na+ -0.02
-NpO2(CO3)2-3 Na+ -0.33
-NpO2(CO3)2OH-4 Na+ -0.4
-NpO2(CO3)3-4 Na+ -0.4
-NpO2(CO3)3-5 Na+ -0.53
-NpO2(Cit)-2 Na+ -0.06
-NpO2(Edta)-3 Na+ 0.2
-NpO2(HEdta)-2 Na+ 0.07
-NpO2(HPO4)2-2 Na+ -0.1
-NpO2(NO3)+ Cl- 0.22
-NpO2(NO3)+ ClO4- 0.33
-NpO2(OH)+ Cl- -0.003
-NpO2(OH)+ ClO4- -0.06
-NpO2(OH)2- Na+ -0.01
-NpO2(Ox)- Na+ -0.4
-NpO2(Ox)2-3 Na+ -0.3
-NpO2(SO4)- Na+ -0.74
-NpO2(SO4)2-2 Na+ -0.12
-NpO2+ Cl- 0.09
-NpO2+ ClO4- 0.25
-NpO2+2 Cl- 0.223
-NpO2+2 ClO4- 0.46
-NpO2Cl+ Cl- 0.318
-NpO2Cl+ ClO4- 0.5
-NpO2F+ Cl- 0.197
-NpO2F+ ClO4- 0.29
-OH- Na+ 0.04
-Ox-2 Na+ -0.08
-PO4-3 Na+ -0.25
-Pa+4 Cl- 0.3
-PaO(OH)+2 Cl- 0.13
-Pb(OH)3- Na+ 0.02
-Pb(SO4)2-2 Na+ -0.52
-Pb+2 Cl- 0.081
-Pb+2 ClO4- 0.15
-Pb+2 NO3- -0.2
-PbF+ Cl- 0.14
-Pd(SO4)2-2 Na+ -0.12
-Pd+2 Cl- 0.16
-PdBr+ Cl- 0.175
-PdBr3- Na+ 0
-PdBr4-2 Na+ 0.1
-PdCl+ Cl- 0.175
-PdCl3- Na+ 0
-PdCl4-2 Na+ 0.1
-Pu(CO3)+ Cl- 0.129
-Pu(CO3)+ ClO4- 0.17
-Pu(CO3)2- Na+ -0.14
-Pu(CO3)3-3 Na+ -0.23
-Pu(CO3)4-4 Na+ -0.09
-Pu(CO3)5-6 Na+ 0
-Pu(NO3)+2 Cl- 0.191
-Pu(NO3)+2 ClO4- 0.39
-Pu(NO3)+3 ClO4- 0.59
-Pu(OH)+2 Cl- -0.04
-Pu(OH)+2 ClO4- 0.39
-Pu(OH)+3 Cl- 0.2
-Pu(OH)+3 ClO4- 0.5
-Pu(OH)2+ Cl- -0.29
-Pu(OH)2+ ClO4- 0.17
-Pu(OH)2+2 Cl- 0.1
-Pu(OH)3+ Cl- 0.05
-Pu(SO4)+ Cl- 0.157
-Pu(SO4)+ ClO4- 0.22
-Pu(SO4)+2 Cl- 0.232
-Pu(SO4)+2 ClO4- 0.36
-Pu(SO4)2- Na+ -0.05
-Pu+3 Cl- 0.23
-Pu+3 ClO4- 0.49
-Pu+4 Cl- 0.37
-Pu+4 ClO4- 0.82
-PuBr+3 Cl- 0.1
-PuBr+3 ClO4- 0.58
-PuCl+3 Cl- 0.1
-PuCl+3 ClO4- 0.85
-PuF+3 Cl- 0.1
-PuF+3 ClO4- 0.56
-PuF2+2 Cl- 0.177
-PuF2+2 ClO4- 0.36
-PuF3+ Cl- 0.1
-PuI+2 Cl- 0.191
-PuI+2 ClO4- 0.39
-PuI+3 Cl- 0.1
-PuO2(CO3)2-2 Na+ -0.7
-PuO2(CO3)3-4 Na+ -0.2
-PuO2(CO3)3-5 Na+ -0.53
-PuO2(OH)+ Cl- -0.003
-PuO2(SO4)- Na+ -0.74
-PuO2(SO4)2-2 Na+ -0.12
-PuO2+ Cl- 0.129
-PuO2+ ClO4- 0.24
-PuO2+2 Cl- 0.223
-PuO2+2 ClO4- 0.46
-PuO2CO3- Na+ -0.18
-PuO2Cl+ Cl- 0.318
-PuO2Cl+ ClO4- 0.5
-PuO2F+ Cl- 0.197
-PuO2F+ ClO4- 0.29
-PuO2F3- Na+ 0
-PuO2NO3+ Cl- 0.22
-PuO2NO3+ ClO4- 0.33
-SO3-2 Na+ -0.08
-SO4-2 Na+ -0.12
-Scn- Na+ 0.05
-SeO3-2 Na+ -0.08
-SeO4-2 Na+ -0.12
-Si2O2(OH)5- Na+ -0.08
-Si2O3(OH)4-2 Na+ -0.15
-Si3O5(OH)5-3 Na+ -0.25
-Si3O6(OH)3-3 Na+ -0.25
-Si4O8(OH)4-4 Na+ -0.26
-Sm(CO3)+ Cl- 0.129
-Sm(CO3)+ ClO4- 0.17
-Sm(CO3)2- Na+ -0.14
-Sm(CO3)3-3 Na+ -0.23
-Sm(H2PO4)+2 Cl- 0.191
-Sm(H2PO4)+2 ClO4- 0.39
-Sm(NO3)+2 Cl- 0.191
-Sm(NO3)+2 ClO4- 0.39
-Sm(OH)+2 Cl- -0.04
-Sm(OH)+2 ClO4- 0.39
-Sm(OH)2+ Cl- -0.29
-Sm(OH)2+ ClO4- 0.17
-Sm(SO4)+ Cl- 0.157
-Sm(SO4)+ ClO4- 0.22
-Sm(SO4)2- Na+ -0.05
-Sm+3 Cl- 0.23
-Sm+3 ClO4- 0.49
-SmCl+2 Cl- 0.191
-SmCl+2 ClO4- 0.39
-SmF+2 Cl- 0.191
-SmF+2 ClO4- 0.39
-Sn(OH)+ ClO4- -0.07
-Sn(OH)3- Na+ 0.22
-Sn+2 Cl- 0.14
-Sn+2 ClO4- 0.19
-Sn+4 ClO4- 0.7
-Sn3(OH)4+2 ClO4- -0.02
-SnBr+ ClO4- 0.17
-SnBr3- Na+ 0.16
-SnCl+ ClO4- 0.08
-SnCl3- Na+ 0.04
-SnF+ ClO4- 0.14
-Th(CO3)5-6 Na+ -0.3
-Th(H2PO4)+3 ClO4- 0.5
-Th(H2PO4)2+2 ClO4- 0.4
-Th(H3PO4)(H2PO4)+3 ClO4- 0.5
-Th(H3PO4)+4 ClO4- 0.7
-Th(NO3)+3 ClO4- 0.56
-Th(NO3)+3 NO3- 0.56
-Th(NO3)2+2 ClO4- 0.43
-Th(NO3)2+2 NO3- 0.43
-Th(OH)(CO3)4-5 Na+ -0.22
-Th(OH)+3 Cl- 0.19
-Th(OH)+3 ClO4- 0.48
-Th(OH)+3 NO3- 0.2
-Th(OH)2(CO3)2-2 Na+ -0.1
-Th(OH)2+2 Cl- 0.13
-Th(OH)2+2 ClO4- 0.33
-Th(OH)2+2 NO3- 0.1
-Th(OH)3(CO3)- Na+ -0.05
-Th(OH)3+ Cl- 0.06
-Th(OH)3+ ClO4- 0.15
-Th(OH)3+ NO3- 0.05
-Th(OH)4(CO3)-2 Na+ -0.1
-Th(SO4)+2 Cl- 0.14
-Th(SO4)+2 ClO4- 0.3
-Th(SO4)3-2 Na+ -0.091
-Th+4 Cl- 0.7
-Th+4 ClO4- 0.7
-Th+4 NO3- 0.7
-Th2(OH)2+6 Cl- 0.4
-Th2(OH)2+6 ClO4- 1.22
-Th2(OH)2+6 NO3- 0.69
-Th2(OH)3+5 Cl- 0.29
-Th2(OH)3+5 ClO4- 0.91
-Th2(OH)3+5 NO3- 0.69
-Th4(OH)12+4 Cl- 0.25
-Th4(OH)12+4 ClO4- 0.56
-Th4(OH)12+4 NO3- 0.42
-Th4(OH)8+8 Cl- 0.7
-Th4(OH)8+8 ClO4- 1.69
-Th4(OH)8+8 NO3- 1.59
-Th6(OH)14+10 Cl- 0.83
-Th6(OH)14+10 ClO4- 2.2
-Th6(OH)14+10 NO3- 2.9
-Th6(OH)15+9 Cl- 0.72
-Th6(OH)15+9 ClO4- 1.85
-Th6(OH)15+9 NO3- 2.2
-ThCl+3 Cl- 0.62
-ThCl+3 ClO4- 0.62
-ThF+3 ClO4- 0.48
-ThF+3 NO3- 0.25
-ThF2+2 ClO4- 0.3
-ThF2+2 NO3- 0.15
-ThF3+ ClO4- 0.1
-ThF3+ NO3- 0
-U(CO3)4-4 Na+ -0.09
-U(CO3)5-6 Na+ -0.3
-U(NO3)+3 ClO4- 0.62
-U(NO3)2+2 Cl- 0.236
-U(NO3)2+2 ClO4- 0.49
-U(OH)+3 Cl- 0.2
-U(OH)+3 ClO4- 0.48
-U(OH)2+2 Cl- 0.1
-U(OH)3+ Cl- 0.05
-U(SO4)+2 Cl- 0.149
-U(SO4)+2 ClO4- 0.3
-U+3 Cl- 0.23
-U+3 ClO4- 0.49
-U+4 Cl- 0.36
-U+4 ClO4- 0.76
-UBr+3 ClO4- 0.52
-UCl+3 Cl- 0.1
-UCl+3 ClO4- 0.5
-UF+3 Cl- 0.1
-UF+3 ClO4- 0.48
-UF2+2 Cl- 0.149
-UF2+2 ClO4- 0.3
-UF3+ Cl- 0.1
-UF3+ ClO4- 0.1
-UI+3 ClO4- 0.55
-UI+3 NO3- 0.56
-UO2(CO3)2-2 Na+ -0.02
-UO2(CO3)3-4 Na+ -0.01
-UO2(CO3)3-5 Na+ -0.62
-UO2(Cit)- Na+ -0.11
-UO2(NO3)+ Cl- 0.22
-UO2(NO3)+ ClO4- 0.33
-UO2(OH)+ Cl- -0.003
-UO2(OH)+ ClO4- -0.06
-UO2(OH)+ NO3- 0.51
-UO2(OH)3- Na+ -0.09
-UO2(Ox)2-2 Na+ -0.18
-UO2(Ox)3-4 Na+ -0.01
-UO2(SO4)2-2 Na+ -0.12
-UO2+ Cl- 0.18
-UO2+ ClO4- 0.26
-UO2+2 Cl- 0.46
-UO2+2 ClO4- 0.46
-UO2+2 NO3- 0.46
-UO2Br+ Cl- 0.169
-UO2Br+ ClO4- 0.24
-UO2Cl+ Cl- 0.22
-UO2Cl+ ClO4- 0.33
-UO2F+ Cl- 0.04
-UO2F+ ClO4- 0.28
-UO2F3- Na+ -0.14
-UO2F4-2 Na+ -0.3
-Zn+2 Cl- 0.163
-Zn+2 ClO4- 0.33
-Zn+2 NO3- 0.16
-Zr(CO3)4-4 Na+ -0.09
-Zr(NO3)2+2 ClO4- 0.84
-Zr(OH)+3 ClO4- 0.57
-Zr(OH)2+2 ClO4- 0.62
-Zr(OH)6-2 Na+ -0.1
-Zr+4 Cl- 0.89
-Zr+4 ClO4- 0.89
-Zr+4 NO3- 0.89
-Zr4(OH)15+ ClO4- 0.09
-ZrCl+3 ClO4- 0.87
-ZrCl2+2 ClO4- 0.84
-ZrF+3 ClO4- 0.63
-ZrF2+2 ClO4- 0.47
-ZrF5- Na+ -0.14
-ZrF6-2 Na+ -0.15
-ZrNO3+3 ClO4- 0.88
-
+(NpO2)2(OH)2+2        Cl-       -0.248
+(NpO2)2(OH)2+2        ClO4-     0.570
+(NpO2)2CO3(OH)3-      Na+       0.000
+(NpO2)3(CO3)6-6       Na+       -0.460
+(NpO2)3(OH)5+         Cl-       -0.226
+(NpO2)3(OH)5+         ClO4-     0.450
+(PuO2)2(OH)2+2        Cl-       -0.248
+(PuO2)3(CO3)6-6       Na+       -0.460
+(UO2)2(Cit)(OH)2-     Na+       0.600
+(UO2)2(Cit)2(OH)2-4   Na+       0.560
+(UO2)2(Cit)2(OH)-3    Na+       0.700
+(UO2)2(Cit)2-2        Na+       -0.110
+(UO2)2(CO3)(OH)3-     Na+       0.000
+(UO2)2(NpO2)(CO3)6-6  Na+       0.090
+(UO2)2(OH)2+2         Cl-       0.690
+(UO2)2(OH)2+2         ClO4-     0.570
+(UO2)2(OH)2+2         NO3-      0.490
+(UO2)3(CO3)6-6        Na+       0.370
+(UO2)3(OH)4+2         Cl-       0.500
+(UO2)3(OH)4+2         ClO4-     0.890
+(UO2)3(OH)4+2         NO3-      0.720
+(UO2)3(OH)5+          Cl-       0.810
+(UO2)3(OH)5+          ClO4-     0.450
+(UO2)3(OH)5+          NO3-      0.410
+Ag(SeO3)-             Na+       -0.024
+Ag+                   Cl-       0.031
+Al(OH)+2              Cl-       0.090
+Al(OH)2+              Cl-       0.090
+Al+3                  Cl-       0.330
+Am(CO3)+              Cl-       0.210
+Am(CO3)+              ClO4-     0.210
+Am(CO3)2-             Na+       0.060
+Am(CO3)3-3            Na+       0.080
+Am(CO3)5-6            Na+       -0.300
+Am(Edta)-             Na+       0.010
+Am(H2PO4)+2           Cl-       0.191
+Am(H2PO4)+2           ClO4-     0.390
+Am(NO3)+2             ClO4-     0.390
+Am(OH)+2              Cl-       -0.040
+Am(OH)+2              ClO4-     0.390
+Am(OH)2+              Cl-       -0.290
+Am(OH)2+              ClO4-     0.170
+Am(Ox)+               ClO4-     0.080
+Am(Ox)2-              Na+       -0.210
+Am(Ox)3-3             Na+       -0.230
+Am(SO4)+              Cl-       0.157
+Am(SO4)+              ClO4-     0.220
+Am(SO4)2-             Na+       -0.050
+Am+3                  Cl-       0.230
+Am+3                  ClO4-     0.490
+AmCl+2                Cl-       0.191
+AmCl+2                ClO4-     0.390
+AmCl2+                Cl-       0.129
+AmF+2                 Cl-       0.191
+AmF+2                 ClO4-     0.390
+AmF2+                 Cl-       0.129
+AmF2+                 ClO4-     0.170
+AmO2(CO3)-            Na+       -0.180
+AmO2(CO3)2-3          Na+       -0.330
+AmO2(CO3)3-5          Na+       -0.530
+AmO2+                 Cl-       0.090
+AmO2+2                Cl-       0.390
+B(OH)4-               Na+       -0.070
+Ba+2                  Cl-       0.070
+Ba+2                  ClO4-     0.150
+Ba+2                  NO3-      -0.280
+Be(OH)+               ClO4-     0.220
+Be(OH)3-              Na+       0.020
+Be(OH)4-2             Na+       0.030
+Be+2                  Cl-       0.100
+Be+2                  ClO4-     0.300
+Be+2                  NO3-      0.160
+Be2(OH)+3             Cl-       0.300
+Be2(OH)+3             ClO4-     0.500
+Be2(OH)+3             NO3-      0.270
+Be3(OH)(CO3)+3        ClO4-     0.510
+Be3(OH)3+3            Cl-       0.300
+Be3(OH)3+3            ClO4-     0.510
+Be3(OH)3+3            NO3-      0.290
+Be5(OH)4(CO3)+4       ClO4-     0.800
+Be5(OH)6+4            ClO4-     0.800
+Be6(OH)5(CO3)2+3      Cl-       0.510
+Be6(OH)8+4            ClO4-     0.600
+Be6(OH)8+4            NO3-      0.600
+BeCl+                 Cl-       0.090
+Br-                   Na+       0.050
+Ca(Am(OH)3)+2         Cl-       0.050
+Ca(Cm(OH)3)+2         Cl-       0.050
+Ca(NpO2(OH)2)+        Cl-       -0.070
+Ca+2                  Cl-       0.140
+Ca+2                  ClO4-     0.270
+Ca+2                  NO3-      0.020
+Ca2(Am(OH)4)+3        Cl-       0.290
+Ca2(Cm(OH)4)+3        Cl-       0.290
+Ca3(Am(OH)6)+3        Cl-       0.000
+Ca3(Cm(OH)6)+3        Cl-       0.000
+Ca3(NpO2(OH)5)+2      Cl-       -0.200
+Ca4Pu(OH)8+4          Cl-       0.120
+Ca4Th(OH)8+4          Cl-       -0.010
+Ca4Th(OH)8+4          ClO4-     0.210
+CaUO2(CO3)3-2         Na+       -0.020
+Cd(HCO3)+             Cl-       0.200
+Cd+2                  Cl-       0.160
+Cd+2                  NO3-      0.090
+CdCl+                 Cl-       0.127
+CdCl+                 ClO4-     0.250
+CdI+                  Cl-       0.136
+CdI+                  ClO4-     0.270
+Cit-3                 Na+       -0.076
+Cl-                   Na+       0.030
+Cm(CO3)+              Cl-       0.210
+Cm(CO3)+              ClO4-     0.210
+Cm(CO3)2-             Na+       0.060
+Cm(CO3)3-3            Na+       0.080
+Cm(H2PO4)+2           Cl-       0.191
+Cm(H2PO4)+2           ClO4-     0.390
+Cm(NO3)+2             ClO4-     0.390
+Cm(OH)+2              Cl-       -0.040
+Cm(OH)+2              ClO4-     0.390
+Cm(OH)2+              Cl-       -0.270
+Cm(OH)2+              ClO4-     0.170
+Cm(SO4)+              Cl-       0.157
+Cm(SO4)+              ClO4-     0.220
+Cm(SO4)2-             Na+       -0.050
+Cm+3                  Cl-       0.230
+Cm+3                  ClO4-     0.490
+CmCl+2                Cl-       0.191
+CmCl+2                ClO4-     0.390
+CmCl2+                Cl-       0.129
+CmF+2                 ClO4-     0.390
+CmF2+                 ClO4-     0.170
+Co+2                  Cl-       0.160
+Co+2                  ClO4-     0.340
+Co+2                  NO3-      0.140
+CO3-2                 Na+       -0.080
+Cr+3                  Cl-       0.300
+Cr+3                  NO3-      0.270
+Cu(OH)+               ClO4-     -0.130
+Cu(OH)4-2             Na+       0.190
+Cu+                   ClO4-     0.110
+Cu+2                  Cl-       0.080
+Cu+2                  ClO4-     0.320
+Cu+2                  NO3-      0.110
+Cu2(OH)+3             ClO4-     0.470
+Cu2(OH)2+2            ClO4-     0.330
+CuCl+                 ClO4-     0.310
+CuCl2-                Na+       0.070
+CuCl3-                Na+       0.000
+CuCl3-2               Na+       0.140
+CuCl4-2               Na+       -0.050
+Edta-4                Na+       0.320
+Eu(CO3)+              Cl-       0.129
+Eu(CO3)+              ClO4-     0.170
+Eu(CO3)2-             Na+       -0.140
+Eu(CO3)3-3            Na+       -0.230
+Eu(H2PO4)+2           Cl-       0.191
+Eu(H2PO4)+2           ClO4-     0.390
+Eu(NO3)+2             Cl-       0.191
+Eu(NO3)+2             ClO4-     0.390
+Eu(OH)+2              Cl-       -0.040
+Eu(OH)+2              ClO4-     0.390
+Eu(OH)2+              Cl-       -0.290
+Eu(OH)2+              ClO4-     0.170
+Eu(SO4)+              Cl-       0.157
+Eu(SO4)+              ClO4-     0.220
+Eu(SO4)2-             Na+       -0.050
+Eu+3                  Cl-       0.230
+Eu+3                  ClO4-     0.490
+EuCl+2                Cl-       0.191
+EuCl+2                ClO4-     0.390
+EuCl2+                Cl-       0.129
+EuF+2                 Cl-       0.191
+EuF2+                 Cl-       0.129
+F-                    Na+       0.020
+Fe(OH)+2              Cl-       0.186
+Fe(OH)+2              ClO4-     0.460
+Fe(OH)2+              ClO4-     0.370
+Fe+2                  Cl-       0.170
+Fe+2                  ClO4-     0.370
+Fe+3                  Cl-       0.760
+Fe+3                  ClO4-     0.730
+Fe+3                  NO3-      0.420
+Fe2(OH)2+4            ClO4-     1.040
+FeCl+                 Cl-       0.160
+FeCl+2                Cl-       0.640
+FeCl+2                ClO4-     0.630
+FeCl2+                ClO4-     0.520
+FeF+                  ClO4-     0.340
+H(Cit)-2              Na+       -0.040
+H(Edta)-3             Na+       -0.100
+H(Ox)-                Na+       -0.070
+H(SeO3)-              Na+       0.020
+H(SeO4)-              Na+       0.000
+H(SO4)-               Na+       -0.010
+H+                    Cl-       0.120
+H+                    ClO4-     0.140
+H+                    NO3-      0.070
+H2(Cit)-              Na+       -0.050
+H2(Edta)-2            Na+       -0.370
+H2(PO4)-              Na+       -0.080
+H2(SiO4)-2            Na+       -0.100
+H3(Edta)-             Na+       -0.330
+H3(SiO4)-             Na+       -0.080
+H5(Edta)+             Cl-       -0.230
+H5(Edta)+             ClO4-     -0.230
+H5(Edta)+             NO3-      -0.230
+H6(Edta)+2            Cl-       -0.200
+H6(Edta)+2            ClO4-     -0.200
+H6(Edta)+2            NO3-      -0.200
+HCO3-                 Na+       0.000
+Hf(NO3)2+2            ClO4-     0.840
+Hf(OH)+3              ClO4-     0.570
+Hf+4                  Cl-       0.890
+Hf+4                  ClO4-     0.890
+Hf+4                  NO3-      0.890
+HfCl+3                ClO4-     0.870
+HfCl2+2               ClO4-     0.840
+HfF+3                 ClO4-     0.630
+HfF2+2                ClO4-     0.470
+HfNO3+3               ClO4-     0.910
+Hg(OH)+               ClO4-     0.060
+Hg+2                  ClO4-     0.340
+Hg+2                  NO3-      -0.100
+Hg2+2                 ClO4-     0.090
+Hg2+2                 NO3-      -0.200
+HgCl+                 ClO4-     0.190
+HgCl3-                Na+       0.050
+HgCl4-2               Na+       0.080
+HGlu-                 Na+       -0.070
+HIsa-                 Na+       -0.070
+HMoO4-                Na+       -0.099
+Ho(CO3)+              Cl-       0.129
+Ho(CO3)+              ClO4-     0.170
+Ho(CO3)2-             Na+       -0.140
+Ho(CO3)3-3            Na+       -0.230
+Ho(H2PO4)+2           Cl-       0.191
+Ho(H2PO4)+2           ClO4-     0.390
+Ho(NO3)+2             Cl-       0.191
+Ho(NO3)+2             ClO4-     0.390
+Ho(OH)+2              Cl-       -0.040
+Ho(OH)+2              ClO4-     0.390
+Ho(OH)2+              Cl-       -0.290
+Ho(OH)2+              ClO4-     0.170
+Ho(SO4)+              Cl-       0.157
+Ho(SO4)+              ClO4-     0.220
+Ho(SO4)2-             Na+       -0.050
+Ho+3                  Cl-       0.230
+Ho+3                  ClO4-     0.490
+HoCl+2                Cl-       0.191
+HoCl+2                ClO4-     0.390
+HoCl2+                Cl-       0.129
+HoF+2                 Cl-       0.191
+HoF+2                 ClO4-     0.390
+HoF2+                 Cl-       0.129
+HoF2+                 ClO4-     0.170
+HPO4-2                Na+       -0.150
+I-                    Na+       0.080
+IO3-                  Na+       -0.060
+K+                    Cl-       0.000
+K+                    NO3-      -0.110
+Li+                   Cl-       0.100
+Li+                   ClO4-     0.150
+Li+                   NO3-      0.080
+Mg(Cit)-              Na+       0.030
+Mg(Edta)-2            Na+       -0.010
+Mg(HEdta)-            Na+       0.110
+Mg(Ox)2-2             Na+       -0.150
+Mg+2                  Cl-       0.190
+Mg+2                  ClO4-     0.330
+Mg+2                  NO3-      0.170
+MgUO2(CO3)3-2         Na+       -0.020
+Mn+2                  Cl-       0.130
+Mo7O21(OH)3-3         Na+       -1.455
+Mo7O22(OH)2-4         Na+       -1.346
+Mo7O23(OH)-5          Na+       -1.145
+Mo7O24-6              Na+       -1.265
+MoO4-2                Na+       0.034
+Na+                   ClO4-     0.010
+NH4+                  Cl-       -0.010
+NH4+                  ClO4-     -0.080
+NH4+                  NO3-      -0.060
+Ni(Cit)-              Na+       0.220
+Ni(CO3)2-2            Na+       0.003
+Ni(HCO3)+             Cl-       0.085
+Ni(NO3)+              Cl-       0.060
+Ni(NO3)+              ClO4-     0.440
+Ni(OH)+               Cl-       -0.010
+Ni(OH)+               ClO4-     0.140
+Ni(SO4)2-2            Na+       -0.263
+Ni+2                  Cl-       0.170
+Ni+2                  ClO4-     0.370
+Ni+2                  NO3-      0.182
+Ni4(OH)4+4            ClO4-     1.080
+NiCl+                 Cl-       0.100
+NiCl+                 ClO4-     0.470
+NiF+                  Cl-       0.065
+NiF+                  ClO4-     0.340
+NiHS+                 ClO4-     -0.850
+NO3-                  Na+       -0.040
+Np(CO3)+              Cl-       0.129
+Np(CO3)+              ClO4-     0.170
+Np(CO3)2-             Na+       -0.140
+Np(CO3)3-3            Na+       -0.230
+Np(CO3)4-4            Na+       -0.090
+Np(CO3)5-6            Na+       0.000
+Np(NO3)+3             ClO4-     0.710
+Np(OH)+2              Cl-       -0.040
+Np(OH)+2              ClO4-     0.390
+Np(OH)+3              Cl-       0.200
+Np(OH)+3              ClO4-     0.500
+Np(OH)2+              Cl-       -0.290
+Np(OH)2+              ClO4-     0.170
+Np(OH)2+2             Cl-       0.100
+Np(OH)3+              Cl-       0.050
+Np(SO4)+              Cl-       0.157
+Np(SO4)+              ClO4-     0.220
+Np(SO4)+2             Cl-       0.232
+Np(SO4)+2             ClO4-     0.480
+Np(SO4)2-             Na+       -0.050
+Np+3                  Cl-       0.230
+Np+3                  ClO4-     0.490
+Np+4                  Cl-       0.400
+Np+4                  ClO4-     0.840
+NpCl+3                ClO4-     0.810
+NpF+3                 ClO4-     0.580
+NpF2+2                Cl-       0.186
+NpF2+2                ClO4-     0.380
+NpF3+                 Cl-       0.100
+NpI+3                 ClO4-     0.770
+NpO2(Cit)-2           Na+       -0.060
+NpO2(CO3)-            Na+       -0.180
+NpO2(CO3)2-2          Na+       -0.020
+NpO2(CO3)2-3          Na+       -0.330
+NpO2(CO3)2OH-4        Na+       -0.400
+NpO2(CO3)3-4          Na+       -0.400
+NpO2(CO3)3-5          Na+       -0.530
+NpO2(Edta)-3          Na+       0.200
+NpO2(HEdta)-2         Na+       0.070
+NpO2(HPO4)-           Na+       -0.050
+NpO2(HPO4)2-2         Na+       -0.100
+NpO2(NO3)+            Cl-       0.220
+NpO2(NO3)+            ClO4-     0.330
+NpO2(OH)+             Cl-       -0.003
+NpO2(OH)+             ClO4-     -0.060
+NpO2(OH)2-            Na+       -0.010
+NpO2(OH)3-            Na+       -0.200
+NpO2(OH)4-2           Na+       -0.120
+NpO2(Ox)-             Na+       -0.400
+NpO2(Ox)2-3           Na+       -0.300
+NpO2(SO4)-            Na+       0.070
+NpO2(SO4)2-2          Na+       -0.120
+NpO2+                 Cl-       0.090
+NpO2+                 ClO4-     0.250
+NpO2+2                Cl-       0.223
+NpO2+2                ClO4-     0.460
+NpO2Cl+               Cl-       0.318
+NpO2Cl+               ClO4-     0.500
+NpO2F+                Cl-       0.197
+NpO2F+                ClO4-     0.290
+OH-                   Na+       0.040
+Ox-2                  Na+       -0.080
+Pa+4                  Cl-       0.300
+PaO(OH)+2             Cl-       0.130
+Pb(OH)3-              Na+       0.020
+Pb(SO4)2-2            Na+       -0.520
+Pb+2                  Cl-       0.081
+Pb+2                  ClO4-     0.150
+Pb+2                  NO3-      -0.200
+PbF+                  Cl-       0.140
+Pd(OH)3-              Na+       0.110
+Pd(SO4)2-2            Na+       -0.120
+Pd+2                  Cl-       0.160
+Pd+2                  ClO4-     0.220
+PdBr+                 Cl-       0.175
+PdBr3-                Na+       0.000
+PdBr4-2               Na+       0.100
+PdCl+                 Cl-       0.175
+PdCl+                 ClO4-     0.250
+PdCl3-                Na+       0.030
+PdCl3(OH)-2           Na+       -0.044
+PdCl4-2               Na+       -0.044
+PO4-3                 Na+       -0.250
+Pu(CO3)+              Cl-       0.129
+Pu(CO3)+              ClO4-     0.170
+Pu(CO3)2-             Na+       -0.140
+Pu(CO3)3-3            Na+       -0.230
+Pu(CO3)4-4            Na+       -0.090
+Pu(CO3)5-6            Na+       0.000
+Pu(NO3)+2             Cl-       0.191
+Pu(NO3)+2             ClO4-     0.390
+Pu(NO3)+3             ClO4-     0.590
+Pu(OH)+2              Cl-       -0.040
+Pu(OH)+2              ClO4-     0.390
+Pu(OH)+3              Cl-       0.200
+Pu(OH)+3              ClO4-     0.500
+Pu(OH)2+              Cl-       -0.290
+Pu(OH)2+              ClO4-     0.170
+Pu(OH)2+2             Cl-       0.100
+Pu(OH)3+              Cl-       0.050
+Pu(SO4)+              Cl-       0.157
+Pu(SO4)+              ClO4-     0.220
+Pu(SO4)+2             Cl-       0.232
+Pu(SO4)+2             ClO4-     0.360
+Pu(SO4)2-             Na+       -0.050
+Pu+3                  Cl-       0.230
+Pu+3                  ClO4-     0.490
+Pu+4                  ClO4-     0.820
+PuBr+3                Cl-       0.100
+PuBr+3                ClO4-     0.580
+PuCl+3                Cl-       0.100
+PuCl+3                ClO4-     0.850
+PuF+3                 Cl-       0.100
+PuF+3                 ClO4-     0.560
+PuF2+2                Cl-       0.177
+PuF2+2                ClO4-     0.360
+PuF3+                 Cl-       0.100
+PuI+2                 Cl-       0.191
+PuI+2                 ClO4-     0.390
+PuI+3                 Cl-       0.100
+PuO2(CO3)-            Na+       -0.180
+PuO2(CO3)2-2          Na+       -0.700
+PuO2(CO3)3-4          Na+       -0.200
+PuO2(CO3)3-5          Na+       -0.530
+PuO2(OH)+             Cl-       -0.003
+PuO2(SO4)-            Na+       -0.070
+PuO2(SO4)2-2          Na+       -0.120
+PuO2+                 Cl-       0.129
+PuO2+                 ClO4-     0.240
+PuO2+2                Cl-       0.223
+PuO2+2                ClO4-     0.460
+PuO2Cl+               Cl-       0.318
+PuO2Cl+               ClO4-     0.500
+PuO2F+                Cl-       0.197
+PuO2F+                ClO4-     0.290
+PuO2F3-               Na+       0.000
+PuO2NO3+              Cl-       0.220
+PuO2NO3+              ClO4-     0.330
+SeO3-2                Na+       -0.080
+SeO4-2                Na+       -0.120
+Si2O2(OH)5-           Na+       -0.080
+Si2O3(OH)4-2          Na+       -0.150
+Si3O5(OH)5-3          Na+       -0.250
+Si3O6(OH)3-3          Na+       -0.250
+Si4O8(OH)4-4          Na+       -0.260
+Sm(CO3)+              Cl-       0.129
+Sm(CO3)+              ClO4-     0.170
+Sm(CO3)2-             Na+       -0.140
+Sm(CO3)3-3            Na+       -0.230
+Sm(H2PO4)+2           Cl-       0.191
+Sm(H2PO4)+2           ClO4-     0.390
+Sm(NO3)+2             Cl-       0.191
+Sm(NO3)+2             ClO4-     0.390
+Sm(OH)+2              Cl-       -0.040
+Sm(OH)+2              ClO4-     0.390
+Sm(OH)2+              Cl-       -0.290
+Sm(OH)2+              ClO4-     0.170
+Sm(SO4)+              Cl-       0.157
+Sm(SO4)+              ClO4-     0.220
+Sm(SO4)2-             Na+       -0.050
+Sm+3                  Cl-       0.230
+Sm+3                  ClO4-     0.490
+SmCl+2                Cl-       0.191
+SmCl+2                ClO4-     0.390
+SmF+2                 Cl-       0.191
+SmF+2                 ClO4-     0.390
+Sn(OH)+               ClO4-     -0.070
+Sn(OH)3-              Na+       0.220
+Sn+2                  Cl-       0.140
+Sn+2                  ClO4-     0.190
+Sn+4                  ClO4-     0.700
+Sn3(OH)4+2            ClO4-     -0.020
+SnBr+                 ClO4-     0.150
+SnBr3-                Na+       0.160
+SnCl+                 ClO4-     0.080
+SnCl3-                Na+       0.040
+SnF+                  ClO4-     0.140
+SO3-2                 Na+       -0.080
+SO4-2                 Na+       -0.120
+Tc2O2(OH)2+2          Cl-       -0.430
+TcO(OH)3-             Na+       -0.080
+Th(CO3)5-6            Na+       -0.300
+Th(H2PO4)+3           ClO4-     0.500
+Th(H2PO4)2+2          ClO4-     0.400
+Th(H3PO4)(H2PO4)+3    ClO4-     0.500
+Th(H3PO4)+4           ClO4-     0.700
+Th(NO3)+3             ClO4-     0.560
+Th(NO3)+3             NO3-      0.560
+Th(NO3)2+2            ClO4-     0.430
+Th(NO3)2+2            NO3-      0.430
+Th(OH)(CO3)4-5        Na+       -0.220
+Th(OH)+3              Cl-       0.190
+Th(OH)+3              ClO4-     0.480
+Th(OH)+3              NO3-      0.200
+Th(OH)2(CO3)2-2       Na+       -0.100
+Th(OH)2+2             Cl-       0.130
+Th(OH)2+2             ClO4-     0.330
+Th(OH)2+2             NO3-      0.100
+Th(OH)3(CO3)-         Na+       -0.050
+Th(OH)3+              Cl-       0.060
+Th(OH)3+              ClO4-     0.150
+Th(OH)3+              NO3-      0.050
+Th(OH)4(CO3)-2        Na+       -0.100
+Th(SO4)+2             Cl-       0.140
+Th(SO4)+2             ClO4-     0.300
+Th(SO4)3-2            Na+       -0.091
+Th+4                  Cl-       0.250
+Th+4                  ClO4-     0.700
+Th+4                  NO3-      0.310
+Th2(OH)2+6            Cl-       0.400
+Th2(OH)2+6            ClO4-     1.220
+Th2(OH)2+6            NO3-      0.690
+Th2(OH)3+5            Cl-       0.290
+Th2(OH)3+5            ClO4-     0.910
+Th2(OH)3+5            NO3-      0.690
+Th4(OH)12+4           Cl-       0.250
+Th4(OH)12+4           ClO4-     0.560
+Th4(OH)12+4           NO3-      0.420
+Th4(OH)8+8            Cl-       0.700
+Th4(OH)8+8            ClO4-     1.690
+Th4(OH)8+8            NO3-      1.590
+Th6(OH)14+10          Cl-       0.830
+Th6(OH)14+10          ClO4-     2.200
+Th6(OH)14+10          NO3-      2.900
+Th6(OH)15+9           Cl-       0.720
+Th6(OH)15+9           ClO4-     1.850
+Th6(OH)15+9           NO3-      2.200
+ThCl+3                Cl-       0.620
+ThCl+3                ClO4-     0.620
+ThF+3                 ClO4-     0.480
+ThF+3                 NO3-      0.250
+ThF2+2                ClO4-     0.300
+ThF2+2                NO3-      0.150
+ThF3+                 ClO4-     0.100
+ThF3+                 NO3-      0.000
+U(CO3)4-4             Na+       -0.090
+U(CO3)5-6             Na+       -0.300
+U(NO3)+3              ClO4-     0.620
+U(NO3)2+2             Cl-       0.236
+U(NO3)2+2             ClO4-     0.490
+U(OH)+3               Cl-       0.200
+U(OH)+3               ClO4-     0.480
+U(OH)2+2              Cl-       0.100
+U(OH)3+               Cl-       0.050
+U(SO4)+2              Cl-       0.149
+U(SO4)+2              ClO4-     0.300
+U+3                   Cl-       0.230
+U+3                   ClO4-     0.490
+U+4                   Cl-       0.360
+U+4                   ClO4-     0.760
+UBr+3                 ClO4-     0.520
+UCl+3                 Cl-       0.100
+UCl+3                 ClO4-     0.500
+UF+3                  Cl-       0.100
+UF+3                  ClO4-     0.480
+UF2+2                 Cl-       0.149
+UF2+2                 ClO4-     0.300
+UF3+                  Cl-       0.100
+UF3+                  ClO4-     0.100
+UI+3                  ClO4-     0.550
+UI+3                  NO3-      0.560
+UO2(Cit)-             Na+       -0.110
+UO2(CO3)2-2           Na+       -0.020
+UO2(CO3)3-4           Na+       -0.010
+UO2(CO3)3-5           Na+       -0.620
+UO2(NO3)+             Cl-       0.220
+UO2(NO3)+             ClO4-     0.330
+UO2(OH)+              Cl-       -0.003
+UO2(OH)+              ClO4-     -0.060
+UO2(OH)+              NO3-      0.510
+UO2(OH)3-             Na+       -0.240
+UO2(OH)4-2            Na+       0.010
+UO2(Ox)2-2            Na+       -0.180
+UO2(Ox)3-4            Na+       -0.010
+UO2(SO4)2-2           Na+       -0.120
+UO2+                  Cl-       0.180
+UO2+                  ClO4-     0.260
+UO2+2                 Cl-       0.460
+UO2+2                 ClO4-     0.460
+UO2+2                 NO3-      0.460
+UO2Br+                Cl-       0.169
+UO2Br+                ClO4-     0.240
+UO2Cl+                Cl-       0.220
+UO2Cl+                ClO4-     0.330
+UO2F+                 Cl-       0.040
+UO2F+                 ClO4-     0.280
+UO2F3-                Na+       -0.140
+UO2F4-2               Na+       -0.300
+Zn+2                  Cl-       0.163
+Zn+2                  ClO4-     0.330
+Zn+2                  NO3-      0.160
+Zr(CO3)4-4            Na+       -0.090
+Zr(NO3)2+2            ClO4-     0.840
+Zr(OH)+3              ClO4-     0.570
+Zr(OH)2+2             ClO4-     0.620
+Zr(OH)6-2             Na+       -0.100
+Zr+4                  Cl-       0.890
+Zr+4                  ClO4-     0.890
+Zr+4                  NO3-      0.890
+Zr4(OH)15+            ClO4-     0.090
+ZrCl+3                ClO4-     0.870
+ZrCl2+2               ClO4-     0.840
+ZrF+3                 ClO4-     0.630
+ZrF2+2                ClO4-     0.470
+ZrF5-                 Na+       -0.140
+ZrF6-2                Na+       -0.150
+ZrNO3+3               ClO4-     0.880
 
 
 SOLUTION_SPECIES
 
-1.000H2O     = H2O
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     = H+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000e-     = e-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Acetate-     = Acetate-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -486.01        #kJ/mol        #82WAG/EVA
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Adipate-2     = Adipate-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+     = Ag+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           105.79        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     = Al+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -538.4        #kJ/mol        #95POK/HEL
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     = Am+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -616.7        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3     = AsO4-3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -888.14        #kJ/mol        #09RAN/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000B(OH)4-     = B(OH)4-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1345.116        #kJ/mol        #99RAR/RAN
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ba+2     = Ba+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -534.8        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Br-     = Br-
-     log_k     0.000     #95SIL/BID
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -121.41        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000CO3-2     = CO3-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -675.23        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     = Ca+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -543        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     = Cd+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -75.92        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cit-3     = Cit-3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1519.92        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cl-     = Cl-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -167.08        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3     = Cm+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -615        #kJ/mol        #01KON2
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cn-     = Cn-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           150.624        #kJ/mol        #92JOH/OEL
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     = Co+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -57.6        #kJ/mol        #98PLY/ZHA1
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000CrO4-2     = CrO4-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -879        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+     = Cs+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -258        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2     = Cu+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           64.9        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Edta-4     = Edta-4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1704.8        #kJ/mol        #05HUM/AND
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     = Eu+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -605.331        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F-     = F-
-     log_k     0.000     #95SIL/BID
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -335.35        #kJ/mol        #95SIL/BID
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     = Fe+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -90        #kJ/mol        #98CHI
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H2(PO4)-     = H2(PO4)-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1302.6        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H4(SiO4)     = H4(SiO4)
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1461.194        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000HGlu-     = HGlu-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000HIsa-     = HIsa-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hf+4     = Hf+4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -628.91        #kJ/mol        #99VAS/LYT
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     = Hg+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           170.21        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     = Ho+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -707.042        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000I-     = I-
-     log_k     0.000     #92GRE/FUG
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -56.78        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     = K+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -252.14        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Li+     = Li+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Malonate-2     = Malonate-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     = Mg+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -467        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     = Mn+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -220.8        #kJ/mol        #95ROB/HEM
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000MoO4-2     = MoO4-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -997        #kJ/mol        #74OHA
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3-     = NO3-
-     log_k     0.000     #92GRE/FUG
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -206.85        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     = Na+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -240.34        #kJ/mol        #92GRE/FUG (89COX/WAG)
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Nb(OH)6-     = Nb(OH)6-
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1925.665        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     = Ni+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -55.012        #kJ/mol        #05GAM/BUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     = NpO2+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -860.733        #kJ/mol        #01LEM/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Nta-3     = Nta-3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ox-2     = Ox-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -830.66        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pa+4     = Pa+4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -620        #kJ/mol        #85BAR/PAR
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     = Pb+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           0.92        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     = Pd+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           189.883        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Phthalat-2     = Phthalat-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     = PuO2+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -822.036        #kJ/mol        #01LEM/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pyrophos-4     = Pyrophos-4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ra+2     = Ra+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -528.025        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Rb+     = Rb+
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -251.12        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2     = SO4-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -909.34        #kJ/mol        #89COX/WAG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sb(OH)3     = Sb(OH)3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -733.892        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Scn-     = Scn-
-     log_k     0.000     #92GRE/FUG
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           76.4        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SeO4-2     = SeO4-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -603.5        #kJ/mol        #05OLI/NOL
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     = Sm+3
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -691.199        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     = Sn+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -9.617        #kJ/mol        #12GAM/GAJ
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     = Sr+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -550.9        #kJ/mol        #84BUS/PLUS
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Suberate-2     = Suberate-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Succinat-2     = Succinat-2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     = TcO(OH)2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -749.32        #kJ/mol        
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     = Th+4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -768.7        #kJ/mol        #09RAN/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     = UO2+2
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -1019        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2     = Zn+2
-     log_k     0.000     #92GRE/FUG
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -153.39        #kJ/mol        #92GRE/FUG
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Zr+4     = Zr+4
-     log_k     0.000     
-     delta_h   0.000     #kJ/mol        
-     # Enthalpy of formation:           -608.5        #kJ/mol        #05BRO/CUR
-     -analytic 0E+0 0E+0 0E+0 0E+0 0E+0
-
-
-1.000Am+3     + 0.500H2O     - 1.000H+     - 0.250O2     = Am+2
-     log_k   -60.375     #95SIL/BID
-     delta_h  401.958    #kJ/mol        
-     # Enthalpy of formation:           -354.624        #kJ/mol        
-     -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0
-
-1.000Am+3     - 0.500H2O     + 1.000H+     + 0.250O2     = Am+4
-     log_k   -22.715     
-     delta_h  70.819     #kJ/mol        
-     # Enthalpy of formation:           -406        #kJ/mol        #95SIL/BID
-     -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Am+3     + 1.000H2O     + 0.500O2     = AmO2+
-     log_k   -15.380     
-     delta_h  104.337    #kJ/mol        #95SIL/BID
-     # Enthalpy of formation:           -804.26        #kJ/mol        
-     -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000Am+3     + 0.500H2O     + 0.750O2     = AmO2+2
-     log_k   -20.865     
-     delta_h  117.956    #kJ/mol        #95SIL/BID
-     # Enthalpy of formation:           -650.76        #kJ/mol        
-     -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0
-
-2.000H+     + 1.000CO3-2     + 1.000H2O     - 2.000O2     = CH4
-     log_k  -133.770     
-     delta_h  848.886    #kJ/mol        
-     # Enthalpy of formation:           -87.906        #kJ/mol        #01SCH/SHO
-     -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0
-
-4.000H+     + 1.000CrO4-2     - 2.000H2O     - 1.000O2     = Cr+2
-     log_k   -18.760     #04CHI
-     delta_h  137.587    #kJ/mol        
-     # Enthalpy of formation:           -157.62        #kJ/mol        
-     -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0
-
-5.000H+     + 1.000CrO4-2     - 2.500H2O     - 0.750O2     = Cr+3
-     log_k     9.135     
-     delta_h  -85.176    #kJ/mol        
-     # Enthalpy of formation:           -240.5        #kJ/mol        #04CHI
-     -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0
-
-1.000Cu+2     + 0.500H2O     - 1.000H+     - 0.250O2     = Cu+
-     log_k   -18.855     
-     delta_h  146.652    #kJ/mol        
-     # Enthalpy of formation:           71.67        #kJ/mol        #82WAG/EVA
-     -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0
-
-1.000Eu+3     + 0.500H2O     - 1.000H+     - 0.250O2     = Eu+2
-     log_k   -27.465     
-     delta_h  217.611    #kJ/mol        
-     # Enthalpy of formation:           -527.602        #kJ/mol        #92JOH/OEL
-     -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0
-
-1.000Fe+2     - 0.500H2O     + 1.000H+     + 0.250O2     = Fe+3
-     log_k     8.485     
-     delta_h  -98.882    #kJ/mol        
-     # Enthalpy of formation:           -49        #kJ/mol        #98CHI
-     -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0
-
-1.000H2O     - 0.500O2     = H2
-     log_k   -46.070     
-     delta_h  275.563    #kJ/mol        
-     # Enthalpy of formation:           -4.2        #kJ/mol        #82WAG/EVA
-     -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0
-
-3.000H+     + 1.000AsO4-3     - 0.500O2     = H3(AsO3)
-     log_k    -2.960     
-     delta_h  139.873    #kJ/mol        
-     # Enthalpy of formation:           -742.2        #kJ/mol        #09RAN/FUG
-     -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0
-
-1.000H+     + 1.000SO4-2     - 2.000O2     = HS-
-     log_k  -138.270     
-     delta_h  868.772    #kJ/mol        
-     # Enthalpy of formation:           -16.3        #kJ/mol        #89COX/WAG
-     -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0
-
-1.000H+     + 1.000SeO4-2     - 2.000O2     = HSe-
-     log_k   -90.390     
-     delta_h  593.532    #kJ/mol        
-     # Enthalpy of formation:           14.3        #kJ/mol        #05OLI/NOL
-     -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0
-
-2.000Hg+2     + 1.000H2O     - 2.000H+     - 0.500O2     = Hg2+2
-     log_k   -12.200     
-     delta_h  106.213    #kJ/mol        
-     # Enthalpy of formation:           166.87        #kJ/mol        #01LEM/FUG
-     -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0
-
-1.000I-     + 1.500O2     = IO3-
-     log_k    17.410     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -219.7        #kJ/mol        #92GRE/FUG
-     -analytic 1.741E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000NO3-     + 1.000H2O     - 2.000O2     = NH3
-     log_k   -61.960     #95SIL/BID
-     delta_h  387.242    #kJ/mol        
-     # Enthalpy of formation:           -81.17        #kJ/mol        #95SIL/BID
-     -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0
-
-1.000Np+4     + 0.500H2O     - 1.000H+     - 0.250O2     = Np+3
-     log_k   -17.795     
-     delta_h  168.720    #kJ/mol        
-     # Enthalpy of formation:           -527.184        #kJ/mol        #01LEM/FUG
-     -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0
-
-1.000NpO2+     + 3.000H+     - 1.500H2O     - 0.250O2     = Np+4
-     log_k   -11.285     
-     delta_h  -9.620     #kJ/mol        
-     # Enthalpy of formation:           -556.022        #kJ/mol        #01LEM/FUG
-     -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0
-
-1.000NpO2+2     + 0.500H2O     - 1.000H+     - 0.250O2     = NpO2+
-     log_k    -1.905     
-     delta_h  22.434     #kJ/mol        
-     # Enthalpy of formation:           -978.181        #kJ/mol        #01LEM/FUG
-     -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0
-
-- 4.000H+     - 4.000e-     + 2.000H2O     = O2
-     log_k   -85.980     #89COX/WAG
-     delta_h  559.526    #kJ/mol        
-     # Enthalpy of formation:           -12.134        #kJ/mol        #01SCH/SHO
-     -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0
-
-- 3.000H+     + 1.000Pa+4     + 1.500H2O     + 0.250O2     = PaO2+
-     log_k    25.715     #85BAR/PAR, 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 0.500H2O     - 1.000H+     - 0.250O2     = Pu+3
-     log_k    -3.805     
-     delta_h  87.987     #kJ/mol        
-     # Enthalpy of formation:           -591.79        #kJ/mol        #01LEM/FUG
-     -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0
-
-1.000PuO2+     + 3.000H+     - 1.500H2O     - 0.250O2     = Pu+4
-     log_k    -4.045     
-     delta_h  -61.547    #kJ/mol        
-     # Enthalpy of formation:           -539.895        #kJ/mol        #01LEM/FUG
-     -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0
-
-1.000PuO2+2     + 0.500H2O     - 1.000H+     - 0.250O2     = PuO2+
-     log_k    -5.675     
-     delta_h  51.791     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -910.127        #kJ/mol        
-     -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0
-
-2.000H+     + 2.000SO4-2     - 1.000H2O     - 2.000O2     = S2O3-2
-     log_k  -133.400     
-     delta_h  856.296    #kJ/mol        
-     # Enthalpy of formation:           -652.286        #kJ/mol        #04CHI
-     -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0
-
-2.000H+     + 2.000SO4-2     - 1.000H2O     - 1.500O2     = S2O4-2
-     log_k  -118.270     
-     delta_h  761.149    #kJ/mol        
-     # Enthalpy of formation:           -735.5        #kJ/mol        #82WAG/EVA
-     -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0
-
-1.000SO4-2     - 0.500O2     = SO3-2
-     log_k   -46.610     
-     delta_h  272.213    #kJ/mol        
-     # Enthalpy of formation:           -631.06        #kJ/mol        #85GOL/PAR
-     -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0
-
-1.000Sb(OH)3     + 1.000H2O     + 0.500O2     = Sb(OH)5
-     log_k    21.250     #99LOT/OCH recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000SeO4-2     - 0.500O2     = SeO3-2
-     log_k   -14.950     #05OLI/NOL
-     delta_h  90.273     #kJ/mol        
-     # Enthalpy of formation:           -507.16        #kJ/mol        #05OLI/NOL
-     -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0
-
-1.000Sn+2     - 1.000H2O     + 2.000H+     + 0.500O2     = Sn+4
-     log_k    30.010     #12GAM/GAJ; E°=0.384V  for Sn2+/Sn4+ reaction ( I=0)
-     delta_h -301.645    #kJ/mol        
-     # Enthalpy of formation:           -31.499        #kJ/mol        
-     -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0
-
-1.000TcO(OH)2     - 1.000H+     - 0.500H2O     + 0.750O2     = TcO4-
-     log_k    35.055     
-     delta_h -113.895    #kJ/mol        
-     # Enthalpy of formation:           -729.4        #kJ/mol        #99RAR/RAN
-     -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0
-
-1.000TcO4-     + 0.500H2O     - 1.000H+     - 0.250O2     = TcO4-2
-     log_k   -32.295     #99RAR/RAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 0.500H2O     - 1.000H+     - 0.250O2     = U+3
-     log_k   -30.845     #92GRE/FUG
-     delta_h  241.982    #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -489.1        #kJ/mol        
-     -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0
-
-1.000UO2+2     + 2.000H+     - 1.000H2O     - 0.500O2     = U+4
-     log_k   -33.950     #92GRE/FUG
-     delta_h  135.903    #kJ/mol        
-     # Enthalpy of formation:           -591.2        #kJ/mol        #92GRE/FUG
-     -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0
-
-1.000UO2+2     + 0.500H2O     - 1.000H+     - 0.250O2     = UO2+
-     log_k   -20.015     
-     delta_h  133.755    #kJ/mol        
-     # Enthalpy of formation:           -1025.127        #kJ/mol        
-     -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0
-
-
-2.000NpO2+2     - 2.000H+     + 2.000H2O     = (NpO2)2(OH)2+2
-     log_k    -6.270     #01LEM/FUG
-     delta_h  44.996     #kJ/mol        
-     # Enthalpy of formation:           -2248.13        #kJ/mol        
-     -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0
-
-2.000NpO2+2     - 3.000H+     + 1.000CO3-2     + 3.000H2O     = (NpO2)2CO3(OH)3-
-     log_k    -2.870     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000NpO2+2     + 6.000CO3-2     = (NpO2)3(CO3)6-6
-     log_k    49.840     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000NpO2+2     - 5.000H+     + 5.000H2O     = (NpO2)3(OH)5+
-     log_k   -17.120     #01LEM/FUG
-     delta_h  110.667    #kJ/mol        
-     # Enthalpy of formation:           -3900.682        #kJ/mol        
-     -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0
-
-2.000PuO2+2     - 2.000H+     + 2.000H2O     = (PuO2)2(OH)2+2
-     log_k    -7.500     #01LEM/FUG
-     delta_h  43.583     #kJ/mol        
-     # Enthalpy of formation:           -2172.149        #kJ/mol        
-     -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0
-
-3.000PuO2+2     + 6.000CO3-2     = (PuO2)3(CO3)6-6
-     log_k    46.020     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     - 1.000H+     + 1.000H2O     = (TcO)(OH)3-
-     log_k   -10.800     
-     delta_h  39.030     #kJ/mol        #97NGU/LAN
-     # Enthalpy of formation:           -996.12        #kJ/mol        
-     -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0
-
-2.000Th+4     - 2.000H+     + 2.000Edta-4     + 2.000H2O     = (Th(OH)(Edta))2-2
-     log_k    43.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000U+4     - 2.000H+     + 2.000Edta-4     + 2.000H2O     = (U(OH)(Edta))2-2
-     log_k    51.700     #63ERM/KRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0
-
-11.000UO2+2     - 12.000H+     + 6.000CO3-2     + 12.000H2O     = (UO2)11(CO3)6(OH)12-2
-     log_k    36.430     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2     - 3.000H+     + 1.000CO3-2     + 3.000H2O     = (UO2)2(CO3)(OH)3-
-     log_k    -0.860     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2     + 2.000Cit-3     = (UO2)2(Cit)2-2
-     log_k    21.300     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2     + 1.000Edta-4     = (UO2)2(Edta)
-     log_k    20.600     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2     + 1.000NpO2+2     + 6.000CO3-2     = (UO2)2(NpO2)(CO3)6-6
-     log_k    53.590     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000UO2+2     - 1.000H+     + 1.000H2O     = (UO2)2(OH)+3
-     log_k    -2.700     #92GRE/FUG
-     delta_h  14.354     #kJ/mol        
-     # Enthalpy of formation:           -2309.476        #kJ/mol        
-     -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0
-
-2.000UO2+2     - 2.000H+     + 2.000H2O     = (UO2)2(OH)2+2
-     log_k    -5.620     #92GRE/FUG
-     delta_h  37.595     #kJ/mol        
-     # Enthalpy of formation:           -2572.065        #kJ/mol        
-     -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0
-
-3.000UO2+2     - 3.000H+     + 1.000CO3-2     + 3.000H2O     = (UO2)3(CO3)(OH)3+
-     log_k     0.660     #92GRE/FUG
-     delta_h  81.159     #kJ/mol        
-     # Enthalpy of formation:           -4361.23        #kJ/mol        
-     -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0
-
-3.000UO2+2     + 6.000CO3-2     = (UO2)3(CO3)6-6
-     log_k    54.000     #92GRE/FUG
-     delta_h  -62.700    #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -7171.08        #kJ/mol        
-     -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0
-
-3.000UO2+2     - 4.000H+     + 4.000H2O     = (UO2)3(OH)4+2
-     log_k   -11.900     #92GRE/FUG
-     delta_h  84.264     #kJ/mol        
-     # Enthalpy of formation:           -4251.906        #kJ/mol        
-     -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0
-
-3.000UO2+2     - 5.000H+     + 5.000H2O     = (UO2)3(OH)5+
-     log_k   -15.550     #92GRE/FUG
-     delta_h  97.063     #kJ/mol        
-     # Enthalpy of formation:           -4389.086        #kJ/mol        
-     -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0
-
-3.000UO2+2     - 7.000H+     + 7.000H2O     = (UO2)3(OH)7-
-     log_k   -32.200     #92SAN/BRU
-     delta_h  229.868    #kJ/mol        
-     # Enthalpy of formation:           -4827.942        #kJ/mol        
-     -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0
-
-4.000UO2+2     - 7.000H+     + 7.000H2O     = (UO2)4(OH)7+
-     log_k   -21.900     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+     + 2.000CO3-2     = Ag(CO3)2-3
-     log_k     2.160     #97SVE/SHO
-     delta_h  -28.044    #kJ/mol        
-     # Enthalpy of formation:           -1272.714        #kJ/mol        
-     -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000HS-     = Ag(HS)
-     log_k    14.050     #74NAU/RYZ in 91BAL/NOR
-     delta_h  -78.826    #kJ/mol        
-     # Enthalpy of formation:           10.664        #kJ/mol        
-     -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0
-
-1.000Ag+     + 2.000HS-     = Ag(HS)2-
-     log_k    18.450     #74NAU/RYZ in 91BAL/NOR
-     delta_h -105.805    #kJ/mol        
-     # Enthalpy of formation:           -32.615        #kJ/mol        
-     -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0
-
-1.000Ag+     - 1.000H+     + 1.000H2O     = Ag(OH)
-     log_k   -12.000     #76BAE/MES
-     delta_h  47.178     #kJ/mol        
-     # Enthalpy of formation:           -132.862        #kJ/mol        
-     -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0
-
-1.000Ag+     - 2.000H+     + 2.000H2O     = Ag(OH)2-
-     log_k   -24.000     #76BAE/MES
-     delta_h  111.634    #kJ/mol        
-     # Enthalpy of formation:           -354.236        #kJ/mol        
-     -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000S2O3-2     = Ag(S2O3)-
-     log_k     9.230     #74BEL/MAR in 82HÖG
-     delta_h  -58.994    #kJ/mol        #74BEL/MAR in 82HÖG
-     # Enthalpy of formation:           -601.724        #kJ/mol        
-     -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0
-
-1.000Ag+     + 2.000S2O3-2     = Ag(S2O3)2-3
-     log_k    13.640     #72POU/RIG in 82HÖG
-     delta_h  -94.450    #kJ/mol        
-     # Enthalpy of formation:           -1285.7        #kJ/mol        #82WAG/EVA
-     -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000SO3-2     = Ag(SO3)-
-     log_k     5.210     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+     + 1.000SO4-2     = Ag(SO4)-
-     log_k     1.380     
-     delta_h   4.646     #kJ/mol        
-     # Enthalpy of formation:           -798.904        #kJ/mol        
-     -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0
-
-1.000Ag+     + 3.000H+     + 3.000Cn-     + 3.000HSe-     - 3.000H2O     + 1.500O2     = Ag(SeCn)3-2
-     log_k   181.900     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+     + 1.000SeO3-2     = Ag(SeO3)-
-     log_k     3.200     #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ag+     + 1.000Br-     = AgBr
-     log_k     4.240     #91BAL/NOR, 68WAG
-     delta_h  -23.129    #kJ/mol        
-     # Enthalpy of formation:           -38.749        #kJ/mol        
-     -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0
-
-1.000Ag+     + 2.000Br-     = AgBr2-
-     log_k     7.280     #91BAL/NOR, 68WAG
-     delta_h  -45.296    #kJ/mol        
-     # Enthalpy of formation:           -182.326        #kJ/mol        
-     -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0
-
-1.000Ag+     + 3.000Br-     = AgBr3-2
-     log_k     8.710     #91BAL/NOR, 68WAG
-     delta_h  -66.741    #kJ/mol        
-     # Enthalpy of formation:           -325.181        #kJ/mol        
-     -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000CO3-2     = AgCO3-
-     log_k     2.690     #97SVE/SHO
-     delta_h  -22.832    #kJ/mol        
-     # Enthalpy of formation:           -592.272        #kJ/mol        
-     -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000Cl-     = AgCl
-     log_k     3.270     #91BAL/NOR
-     delta_h  -17.099    #kJ/mol        
-     # Enthalpy of formation:           -78.389        #kJ/mol        
-     -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0
-
-1.000Ag+     + 2.000Cl-     = AgCl2-
-     log_k     5.270     #91BAL/NOR
-     delta_h  -28.752    #kJ/mol        
-     # Enthalpy of formation:           -257.122        #kJ/mol        
-     -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0
-
-1.000Ag+     + 3.000Cl-     = AgCl3-2
-     log_k     5.290     #91BAL/NOR
-     delta_h  -29.163    #kJ/mol        
-     # Enthalpy of formation:           -424.613        #kJ/mol        
-     -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0
-
-1.000Ag+     + 4.000Cl-     = AgCl4-3
-     log_k     5.510     #91BAL/NOR
-     delta_h  -26.094    #kJ/mol        
-     # Enthalpy of formation:           -588.624        #kJ/mol        
-     -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000I-     = AgI
-     log_k     6.580     #76SMI/MAR
-     delta_h  -36.962    #kJ/mol        
-     # Enthalpy of formation:           12.048        #kJ/mol        
-     -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0
-
-1.000Ag+     + 2.000I-     = AgI2-
-     log_k    11.700     #76SMI/MAR
-     delta_h  -76.578    #kJ/mol        
-     # Enthalpy of formation:           -84.348        #kJ/mol        
-     -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0
-
-1.000Ag+     + 3.000I-     = AgI3-2
-     log_k    13.280     
-     delta_h -114.911    #kJ/mol        
-     # Enthalpy of formation:           -179.461        #kJ/mol        
-     -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0
-
-1.000Ag+     + 1.000NO3-     = AgNO3
-     log_k    -0.290     #91BAL/NOR, 68WAG
-     delta_h  -0.740     #kJ/mol        
-     # Enthalpy of formation:           -101.8        #kJ/mol        #82WAG/EVA
-     -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0
-
-1.000Al+3     + 1.000Cit-3     = Al(Cit)
-     log_k     9.900     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 2.000Cit-3     + 1.000H2O     = Al(Cit)2(OH)-4
-     log_k    10.190     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 2.000Cit-3     = Al(Cit)2-3
-     log_k    14.130     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000Edta-4     = Al(Edta)-
-     log_k    19.080     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000H+     + 1.000Cit-3     = Al(HCit)+
-     log_k    12.900     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000H+     + 1.000Edta-4     = Al(HEdta)
-     log_k    21.820     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000H+     + 1.000Nta-3     = Al(HNta)+
-     log_k    15.130     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000H+     + 1.000Ox-2     = Al(HOx)+2
-     log_k     7.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000IO3-     = Al(IO3)+2
-     log_k     2.460     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 2.000IO3-     = Al(IO3)2+
-     log_k     4.300     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000Nta-3     = Al(Nta)
-     log_k    13.230     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 2.000H+     + 1.000Nta-3     + 2.000H2O     = Al(Nta)(OH)2-2
-     log_k    -0.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 2.000Nta-3     = Al(Nta)2-3
-     log_k    20.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 1.000Cit-3     + 1.000H2O     = Al(OH)(Cit)-
-     log_k     8.100     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 1.000Edta-4     + 1.000H2O     = Al(OH)(Edta)-2
-     log_k    13.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = Al(OH)(Nta)-
-     log_k     6.790     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 1.000H2O     = Al(OH)+2
-     log_k    -4.950     #95POK/HEL
-     delta_h  49.760     #kJ/mol        
-     # Enthalpy of formation:           -774.47        #kJ/mol        
-     -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0
-
-1.000Al+3     - 2.000H+     + 1.000Edta-4     + 2.000H2O     = Al(OH)2(Edta)-3
-     log_k     2.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     - 2.000H+     + 2.000H2O     = Al(OH)2+
-     log_k   -10.580     
-     delta_h  98.264     #kJ/mol        
-     # Enthalpy of formation:           -1011.796        #kJ/mol        #95POK/HEL
-     -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0
-
-1.000Al+3     - 2.000H+     + 1.000F-     + 2.000H2O     = Al(OH)2F
-     log_k    -4.210     
-     delta_h  118.636    #kJ/mol        
-     # Enthalpy of formation:           -1326.774        #kJ/mol        #01TAG/SCH
-     -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0
-
-1.000Al+3     - 2.000H+     + 2.000F-     + 2.000H2O     = Al(OH)2F2-
-     log_k    -1.990     
-     delta_h  134.839    #kJ/mol        
-     # Enthalpy of formation:           -1645.921        #kJ/mol        #01TAG/SCH
-     -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0
-
-1.000Al+3     - 3.000H+     + 3.000H2O     = Al(OH)3
-     log_k   -16.420     
-     delta_h  144.686    #kJ/mol        
-     # Enthalpy of formation:           -1251.204        #kJ/mol        #95POK/HEL
-     -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0
-
-1.000Al+3     - 4.000H+     + 4.000H2O     = Al(OH)4-
-     log_k   -22.870     
-     delta_h  180.881    #kJ/mol        
-     # Enthalpy of formation:           -1500.839        #kJ/mol        #95POK/HEL
-     -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0
-
-1.000Al+3     + 1.000Ox-2     = Al(Ox)+
-     log_k     9.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 2.000Ox-2     = Al(Ox)2-
-     log_k    15.390     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 3.000Ox-2     = Al(Ox)3-3
-     log_k    18.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000SO4-2     = Al(SO4)+
-     log_k     3.170     #01TAG/SCH
-     delta_h  18.870     #kJ/mol        
-     # Enthalpy of formation:           -1428.87        #kJ/mol        
-     -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0
-
-2.000Al+3     - 2.000H+     + 4.000Ox-2     + 2.000H2O     = Al2(Ox)4(OH)2-4
-     log_k    -6.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000Al+3     - 4.000H+     + 3.000Cit-3     + 4.000H2O     = Al3(Cit)3(OH)4-4
-     log_k    20.600     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Al+3     - 3.000H+     + 3.000Ox-2     + 3.000H2O     = Al3(Ox)3(OH)3
-     log_k    16.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Al+3     - 4.000H+     + 4.000Ox-2     + 4.000H2O     = Al4(Ox)4(OH)4
-     log_k    21.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Al+3     + 1.000F-     = AlF+2
-     log_k     6.980     #01TAG/SCH
-     delta_h  -0.346     #kJ/mol        
-     # Enthalpy of formation:           -874.096        #kJ/mol        
-     -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0
-
-1.000Al+3     + 2.000F-     = AlF2+
-     log_k    12.500     #01TAG/SCH
-     delta_h   0.420     #kJ/mol        
-     # Enthalpy of formation:           -1208.68        #kJ/mol        
-     -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0
-
-1.000Al+3     + 3.000F-     = AlF3
-     log_k    16.550     #01TAG/SCH
-     delta_h   0.615     #kJ/mol        
-     # Enthalpy of formation:           -1543.835        #kJ/mol        
-     -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0
-
-1.000Al+3     + 4.000F-     = AlF4-
-     log_k    18.930     #01TAG/SCH
-     delta_h   0.823     #kJ/mol        
-     # Enthalpy of formation:           -1878.977        #kJ/mol        
-     -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 1.000H4(SiO4)     = AlH3SiO4+2
-     log_k    -2.380     #01TAG/SCH
-     delta_h  77.389     #kJ/mol        
-     # Enthalpy of formation:           -1922.205        #kJ/mol        
-     -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0
-
-1.000Al+3     - 1.000H+     + 2.000F-     + 1.000H2O     = AlOHF2
-     log_k     0.210     
-     delta_h  139.337    #kJ/mol        
-     # Enthalpy of formation:           -1355.593        #kJ/mol        #01TAG/SCH
-     -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0
-
-1.000Am+3     + 1.000Acetate-     = Am(Acetate)+2
-     log_k     2.940     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 2.000Acetate-     = Am(Acetate)2+
-     log_k     5.070     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 3.000Acetate-     = Am(Acetate)3
-     log_k     6.540     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000CO3-2     = Am(CO3)+
-     log_k     7.900     #recalculated from 03GUI/FAN
-     delta_h  158.156    #kJ/mol        
-     # Enthalpy of formation:           -1133.774        #kJ/mol        
-     -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0
-
-1.000Am+3     + 2.000CO3-2     = Am(CO3)2-
-     log_k    12.600     #recalculated from 03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 3.000CO3-2     = Am(CO3)3-3
-     log_k    14.600     #Recalculated from 03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 5.000CO3-2     - 0.500H2O     + 1.000H+     + 0.250O2     = Am(CO3)5-6
-     log_k    16.395     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000Cit-3     = Am(Cit)
-     log_k     8.550     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 2.000Cit-3     = Am(Cit)2-3
-     log_k    13.900     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000Edta-4     = Am(Edta)-
-     log_k    19.670     #05HUM/AND
-     delta_h  -10.600    #kJ/mol        
-     # Enthalpy of formation:           -2332.1        #kJ/mol        
-     -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0
-
-1.000Am+3     + 1.000H2(PO4)-     = Am(H2PO4)+2
-     log_k     3.000     #95SIL/BID
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Am+3     + 1.000CO3-2     = Am(HCO3)+2
-     log_k    13.430     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Am+3     + 1.000Cit-3     = Am(HCit)+
-     log_k    12.860     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Am+3     + 2.000Cit-3     = Am(HCit)2-
-     log_k    23.520     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Am+3     + 1.000Edta-4     = Am(HEdta)
-     log_k    21.840     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Am+3     + 1.000H2(PO4)-     = Am(HPO4)+
-     log_k    -1.740     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000Am+3     + 2.000H2(PO4)-     = Am(HPO4)2-
-     log_k    -5.310     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000NO3-     = Am(NO3)+2
-     log_k     1.330     #95SIL/BID
-     delta_h   1.800     #kJ/mol        #09SKE/PAN
-     # Enthalpy of formation:           -821.75        #kJ/mol        
-     -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
-
-1.000Am+3     + 1.000Nta-3     = Am(Nta)
-     log_k    13.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 2.000Nta-3     = Am(Nta)2-3
-     log_k    22.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Am+3     + 1.000H2O     = Am(OH)+2
-     log_k    -7.200     #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
-     delta_h  78.411     #kJ/mol        
-     # Enthalpy of formation:           -824.119        #kJ/mol        
-     -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Am+3     + 2.000H2O     = Am(OH)2+
-     log_k   -15.100     #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
-     delta_h  143.704    #kJ/mol        
-     # Enthalpy of formation:           -1044.656        #kJ/mol        
-     -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0
-
-- 3.000H+     + 1.000Am+3     + 3.000H2O     = Am(OH)3
-     log_k   -26.200     #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
-     delta_h  230.125    #kJ/mol        
-     # Enthalpy of formation:           -1244.065        #kJ/mol        
-     -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0
-
-- 3.000H+     + 1.000Am+3     + 1.000HGlu-     + 3.000H2O     = Am(OH)3(HGlu)-
-     log_k   -19.700     #05TIT/WIE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+     + 1.000Am+3     + 1.000HIsa-     + 3.000H2O     = Am(OH)3(HIsa)-
-     log_k   -21.500     #05TIT/WIE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000Am+3     + 4.000H2O     = Am(OH)4-
-     log_k   -40.700     #07NEC/ALT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000Ox-2     = Am(Ox)+
-     log_k     6.510     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 2.000Ox-2     = Am(Ox)2-
-     log_k    10.710     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 3.000Ox-2     = Am(Ox)3-3
-     log_k    13.000     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000Am+3     + 2.000H2(PO4)-     = Am(PO4)2-3
-     log_k   -19.430     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000Phthalat-2     = Am(Phthalat)+
-     log_k     4.930     #In analogy with Cm
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Am+3     + 1.000SO4-2     = Am(SO4)+
-     log_k     3.450     #12GRI/GAR1
-     delta_h  15.493     #kJ/mol        
-     # Enthalpy of formation:           -1510.547        #kJ/mol        
-     -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0
-
-1.000Am+3     + 2.000SO4-2     = Am(SO4)2-
-     log_k     4.570     #12GRI/GAR1
-     delta_h  20.927     #kJ/mol        
-     # Enthalpy of formation:           -2414.453        #kJ/mol        
-     -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0
-
-1.000Am+3     + 1.000Cl-     = AmCl+2
-     log_k     0.240     #97KÖN/FAN
-     delta_h  25.106     #kJ/mol        
-     # Enthalpy of formation:           -758.674        #kJ/mol        
-     -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0
-
-1.000Am+3     + 2.000Cl-     = AmCl2+
-     log_k    -0.740     #97KÖN/FAN
-     delta_h  40.568     #kJ/mol        
-     # Enthalpy of formation:           -910.292        #kJ/mol        
-     -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0
-
-1.000Am+3     + 1.000F-     = AmF+2
-     log_k     3.400     #03GUI/FAN
-     delta_h  27.134     #kJ/mol        
-     # Enthalpy of formation:           -924.916        #kJ/mol        
-     -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0
-
-1.000Am+3     + 2.000F-     = AmF2+
-     log_k     5.800     #95SIL/BID
-     delta_h  22.320     #kJ/mol        
-     # Enthalpy of formation:           -1265.08        #kJ/mol        
-     -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0
-
-1.000Am+3     + 3.000F-     = AmF3
-     log_k    10.820     #69AZI/LYL
-     delta_h  -12.119    #kJ/mol        
-     # Enthalpy of formation:           -1634.869        #kJ/mol        
-     -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0
-
-1.000AmO2+     + 1.000CO3-2     = AmO2(CO3)-
-     log_k     5.100     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AmO2+     + 2.000CO3-2     = AmO2(CO3)2-3
-     log_k     6.700     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AmO2+     + 3.000CO3-2     = AmO2(CO3)3-5
-     log_k     5.100     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000AmO2+     + 2.000H2O     = AmO2(OH)2-
-     log_k   -23.600     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000AmO2+     + 1.000H2O     = AmO2OH
-     log_k   -11.300     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Am+3     + 1.000H4(SiO4)     = AmOSi(OH)3+2
-     log_k    -2.310     #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000Am+3     + 1.000H2(PO4)-     = AmPO4
-     log_k    -7.760     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+     + 1.000H3(AsO3)     = AsO3-3
-     log_k   -38.590     #79IVA/VOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000B(OH)4-     - 1.000H2O     = B(OH)3
-     log_k     9.240     
-     delta_h  -13.514    #kJ/mol        
-     # Enthalpy of formation:           -1072.8        #kJ/mol        #01LEM/FUG
-     -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0
-
-2.000H+     + 3.000B(OH)4-     - 7.000H2O     = B3O5-
-     log_k    20.900     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 4.000B(OH)4-     - 9.000H2O     = B4O7-2
-     log_k    21.900     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000F-     + 1.000B(OH)4-     - 1.000H2O     = BF(OH)3-
-     log_k     8.940     #77NOR/JEN
-     delta_h  -39.078    #kJ/mol        #77NOR/JEN
-     # Enthalpy of formation:           -1433.714        #kJ/mol        
-     -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0
-
-2.000H+     + 2.000F-     + 1.000B(OH)4-     - 2.000H2O     = BF2(OH)2-
-     log_k    16.970     #77NOR/JEN
-     delta_h  -38.702    #kJ/mol        #77NOR/JEN
-     # Enthalpy of formation:           -1482.858        #kJ/mol        
-     -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0
-
-3.000H+     + 3.000F-     + 1.000B(OH)4-     - 3.000H2O     = BF3(OH)-
-     log_k    23.010     #77NOR/JEN
-     delta_h  -38.326    #kJ/mol        #77NOR/JEN
-     # Enthalpy of formation:           -1532.002        #kJ/mol        
-     -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0
-
-4.000H+     + 4.000F-     + 1.000B(OH)4-     - 4.000H2O     = BF4-
-     log_k    29.620     #77NOR/JEN
-     delta_h  73.680     #kJ/mol        #77NOR/JEN
-     # Enthalpy of formation:           -1616.876        #kJ/mol        
-     -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0
-
-1.000Ba+2     + 1.000CO3-2     = Ba(CO3)
-     log_k     2.710     #86BUS/PLU
-     delta_h  14.841     #kJ/mol        #86BUS/PLU
-     # Enthalpy of formation:           -1195.189        #kJ/mol        
-     -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0
-
-1.000Ba+2     + 1.000H+     + 1.000CO3-2     = Ba(HCO3)+
-     log_k    11.310     #86BUS/PLU
-     delta_h   8.560     #kJ/mol        #86BUS/PLU
-     # Enthalpy of formation:           -1201.47        #kJ/mol        
-     -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0
-
-1.000Ba+2     + 1.000NO3-     = Ba(NO3)+
-     log_k    -0.310     
-     delta_h   6.819     #kJ/mol        
-     # Enthalpy of formation:           -734.831        #kJ/mol        
-     -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0
-
-1.000Ba+2     - 1.000H+     + 1.000H2O     = Ba(OH)+
-     log_k   -13.470     #76BAE/MES
-     delta_h  87.395     #kJ/mol        
-     # Enthalpy of formation:           -733.235        #kJ/mol        
-     -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0
-
-1.000Ba+2     + 1.000SO4-2     = Ba(SO4)
-     log_k     2.700     #76SMI/MAR
-     delta_h   7.367     #kJ/mol        
-     # Enthalpy of formation:           -1436.773        #kJ/mol        
-     -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0
-
-1.000Ba+2     + 1.000B(OH)4-     = BaB(OH)4+
-     log_k     1.490     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ba+2     + 1.000F-     = BaF+
-     log_k     0.400     
-     delta_h   6.697     #kJ/mol        
-     # Enthalpy of formation:           -863.452        #kJ/mol        #97SVE/SHO
-     -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0
-
-2.000H+     + 1.000CO3-2     - 1.000H2O     - 0.500O2     = CO
-     log_k   -31.390     
-     delta_h  262.373    #kJ/mol        
-     # Enthalpy of formation:           -120.96        #kJ/mol        #82WAG/EVA
-     -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0
-
-2.000H+     + 1.000CO3-2     - 1.000H2O     = CO2
-     log_k    16.680     
-     delta_h  -23.860    #kJ/mol        
-     # Enthalpy of formation:           -413.26        #kJ/mol        #89COX/WAG
-     -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000Acetate-     = Ca(Acetate)+
-     log_k     1.120     #95DER/DIG
-     delta_h  -19.338    #kJ/mol        
-     # Enthalpy of formation:           -1048.348        #kJ/mol        
-     -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000Adipate-2     = Ca(Adipate)
-     log_k     2.190     #04MAR/SMI from 40TOP/DAV
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 3.000H+     + 1.000Am+3     + 3.000H2O     = Ca(Am(OH)3)+2
-     log_k   -26.300     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000AsO4-3     = Ca(AsO4)-
-     log_k     5.770     #10MAR/ACC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Cit-3     = Ca(Cit)-
-     log_k     4.800     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -2062.92        #kJ/mol        
-     -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 3.000H+     + 1.000Cm+3     + 3.000H2O     = Ca(Cm(OH)3)+2
-     log_k   -26.300     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Edta-4     = Ca(Edta)-2
-     log_k    12.690     #05HUM/AND
-     delta_h  -22.200    #kJ/mol        
-     # Enthalpy of formation:           -2270        #kJ/mol        
-     -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000Eu+3     - 3.000H+     + 3.000H2O     = Ca(Eu(OH)3)+2
-     log_k   -26.300     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 2.000H+     + 1.000AsO4-3     = Ca(H2AsO4)+
-     log_k    19.870     #10MAR/ACC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 2.000H+     + 1.000Cit-3     = Ca(H2Cit)+
-     log_k    12.670     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H2(PO4)-     = Ca(H2PO4)+
-     log_k     1.410     #68CHU/MAR
-     delta_h  14.226     #kJ/mol        #68CHU/MAR
-     # Enthalpy of formation:           -1831.374        #kJ/mol        
-     -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0
-
-1.000Ca+2     - 1.000H+     + 1.000H4(SiO4)     = Ca(H3SiO4)+
-     log_k    -8.830     #97SVE/SHO
-     delta_h  31.633     #kJ/mol        
-     # Enthalpy of formation:           -1972.561        #kJ/mol        
-     -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000AsO4-3     = Ca(HAsO4)
-     log_k    13.900     #10MAR/ACC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000CO3-2     = Ca(HCO3)+
-     log_k    11.430     #96BOU1
-     delta_h  -23.597    #kJ/mol        
-     # Enthalpy of formation:           -1241.827        #kJ/mol        
-     -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Cit-3     = Ca(HCit)
-     log_k     9.280     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Edta-4     = Ca(HEdta)-
-     log_k    16.230     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000HGlu-     = Ca(HGlu)+
-     log_k     1.730     #52SCH/LIN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000HIsa-     = Ca(HIsa)+
-     log_k     1.700     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Malonate-2     = Ca(HMalonate)+
-     log_k     6.640     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Nta-3     = Ca(HNta)
-     log_k    13.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 2.000H+     + 2.000Nta-3     = Ca(HNta)2-2
-     log_k    23.630     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 1.000H+     + 1.000H2(PO4)-     = Ca(HPO4)
-     log_k    -4.470     #68CHU/MAR
-     delta_h  17.407     #kJ/mol        #68CHU/MAR
-     # Enthalpy of formation:           -1828.193        #kJ/mol        
-     -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Phthalat-2     = Ca(HPhthalat)+
-     log_k     6.420     #85DAN/DER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Pyrophos-4     = Ca(HPyrophos)-
-     log_k    13.800     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000H+     + 1.000Succinat-2     = Ca(HSuccinat)+
-     log_k     6.790     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 3.000H+     + 1.000Ho+3     + 3.000H2O     = Ca(Ho(OH)3)+2
-     log_k   -26.300     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000IO3-     = Ca(IO3)+
-     log_k     0.400     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 1.000H+     + 1.000HIsa-     = Ca(Isa)
-     log_k   -10.400     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Malonate-2     = Ca(Malonate)
-     log_k     2.430     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000NH3     = Ca(NH3)+2
-     log_k    -0.100     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 2.000NH3     = Ca(NH3)2+2
-     log_k    -0.700     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 3.000NH3     = Ca(NH3)3+2
-     log_k    -1.500     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 4.000NH3     = Ca(NH3)4+2
-     log_k    -2.600     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Nta-3     = Ca(Nta)-
-     log_k     7.730     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 1.000H+     + 1.000HGlu-     + 1.000H2O     = Ca(OH)(HGlu)
-     log_k   -10.400     #02TIT/WIE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 1.000H+     + 1.000H2O     = Ca(OH)+
-     log_k   -12.780     #87GAR/PAR
-     delta_h  77.206     #kJ/mol        
-     # Enthalpy of formation:           -751.624        #kJ/mol        
-     -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000Ox-2     = Ca(Ox)
-     log_k     3.190     #05HUM/AND
-     delta_h   6.807     #kJ/mol        
-     # Enthalpy of formation:           -1366.853        #kJ/mol        
-     -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0
-
-1.000Ca+2     + 2.000Ox-2     = Ca(Ox)2-2
-     log_k     4.020     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     - 2.000H+     + 1.000H2(PO4)-     = Ca(PO4)-
-     log_k   -13.100     #68CHU/MAR
-     delta_h  31.170     #kJ/mol        
-     # Enthalpy of formation:           -1814.43        #kJ/mol        
-     -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0
-
-1.000Ca+2     + 1.000Phthalat-2     = Ca(Phthalat)
-     log_k     2.490     #85DAN/DER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Pyrophos-4     = Ca(Pyrophos)-2
-     log_k     7.500     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000S2O3-2     = Ca(S2O3)
-     log_k     1.900     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92  (provient de Hatches3.0)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1191.5        #kJ/mol        
-     -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000SO4-2     = Ca(SO4)
-     log_k     2.310     #53BEL/GEO
-     delta_h   4.292     #kJ/mol        
-     # Enthalpy of formation:           -1448.048        #kJ/mol        
-     -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0
-
-1.000Ca+2     + 1.000SeO4-2     = Ca(SeO4)
-     log_k     2.000     #05OLI/NOL
-     delta_h   1.475     #kJ/mol        
-     # Enthalpy of formation:           -1145.025        #kJ/mol        
-     -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0
-
-1.000Ca+2     + 1.000Sm+3     - 3.000H+     + 3.000H2O     = Ca(Sm(OH)3)+2
-     log_k   -26.300     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Succinat-2     = Ca(Succinat)
-     log_k     2.340     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     - 4.000H+     + 1.000Am+3     + 4.000H2O     = Ca2(Am(OH)4)+3
-     log_k   -37.200     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     - 4.000H+     + 1.000Cm+3     + 4.000H2O     = Ca2(Cm(OH)4)+3
-     log_k   -37.200     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     + 1.000Eu+3     - 4.000H+     + 4.000H2O     = Ca2(Eu(OH)4)+3
-     log_k   -37.200     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     - 4.000H+     + 1.000Ho+3     + 4.000H2O     = Ca2(Ho(OH)4)+3
-     log_k   -37.200     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     + 1.000Sm+3     - 4.000H+     + 4.000H2O     = Ca2(Sm(OH)4)+3
-     log_k   -37.200     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Ca+2     + 3.000CO3-2     + 1.000UO2+2     = Ca2UO2(CO3)3
-     log_k    30.700     #06DON/BRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2     - 6.000H+     + 1.000Am+3     + 6.000H2O     = Ca3(Am(OH)6)+3
-     log_k   -60.700     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2     - 6.000H+     + 1.000Cm+3     + 6.000H2O     = Ca3(Cm(OH)6)+3
-     log_k   -60.700     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2     + 1.000Eu+3     - 6.000H+     + 6.000H2O     = Ca3(Eu(OH)6)+3
-     log_k   -60.700     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2     - 6.000H+     + 1.000Ho+3     + 6.000H2O     = Ca3(Ho(OH)6)+3
-     log_k   -60.700     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ca+2     + 1.000Sm+3     - 6.000H+     + 6.000H2O     = Ca3(Sm(OH)6)+3
-     log_k   -60.700     #07RAB/ALT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Ca+2     + 1.000Th+4     - 8.000H+     + 8.000H2O     = Ca4Th(OH)8+4
-     log_k   -63.100     #08ALT/NEC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000B(OH)4-     = CaB(OH)4+
-     log_k     1.800     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000CO3-2     = CaCO3
-     log_k     3.220     #96BOU1
-     delta_h  14.830     #kJ/mol        
-     # Enthalpy of formation:           -1203.4        #kJ/mol        #96BOU1
-     -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0
-
-1.000Ca+2     + 1.000CrO4-2     = CaCrO4
-     log_k     2.770     #00PER/PAL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000F-     = CaF+
-     log_k     0.940     #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
-     delta_h  17.238     #kJ/mol        
-     # Enthalpy of formation:           -861.112        #kJ/mol        
-     -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0
-
-1.000Ca+2     + 1.000I-     = CaI+
-     log_k     0.140     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 2.000I-     = CaI2
-     log_k    -0.020     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Th+4     - 4.000H+     + 1.000HGlu-     + 4.000H2O     = CaTh(OH)4(HGlu)+
-     log_k    -9.000     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000Th+4     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = CaTh(OH)4(HIsa)+
-     log_k    -9.000     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ca+2     + 1.000UO2+2     + 3.000CO3-2     = CaUO2(CO3)3-2
-     log_k    27.180     #06DON/BRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000CO3-2     = Cd(CO3)
-     log_k     4.700     #91RAI/FEL1
-     delta_h   4.299     #kJ/mol        
-     # Enthalpy of formation:           -746.851        #kJ/mol        
-     -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0
-
-1.000Cd+2     + 2.000CO3-2     = Cd(CO3)2-2
-     log_k     6.500     #91RAI/FEL1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000Cn-     = Cd(Cn)+
-     log_k     5.300     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 2.000Cn-     = Cd(Cn)2
-     log_k    10.340     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 3.000Cn-     = Cd(Cn)3-
-     log_k    14.810     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 4.000Cn-     = Cd(Cn)4-2
-     log_k    18.250     
-     delta_h  -98.480    #kJ/mol        
-     # Enthalpy of formation:           428.096        #kJ/mol        
-     -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0
-
-1.000Cd+2     + 1.000H2(PO4)-     = Cd(H2PO4)+
-     log_k     1.800     #01AYA/MAD
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000H+     + 1.000CO3-2     = Cd(HCO3)+
-     log_k    11.830     #93STI/PAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 2.000HS-     = Cd(HS)2
-     log_k    14.430     #99WAN/TES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000NH3     = Cd(NH3)+2
-     log_k     2.520     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 2.000NH3     = Cd(NH3)2+2
-     log_k     4.870     
-     delta_h  -27.965    #kJ/mol        
-     # Enthalpy of formation:           -266.225        #kJ/mol        
-     -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0
-
-1.000Cd+2     + 3.000NH3     = Cd(NH3)3+2
-     log_k     5.930     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 4.000NH3     = Cd(NH3)4+2
-     log_k     7.300     
-     delta_h  -49.714    #kJ/mol        
-     # Enthalpy of formation:           -450.314        #kJ/mol        
-     -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0
-
-1.000Cd+2     + 1.000NO3-     = Cd(NO3)+
-     log_k     0.460     #74FED/ROB in 82HÖG
-     delta_h  -21.757    #kJ/mol        #74NAU/RYZ in 91BAL/NOR
-     # Enthalpy of formation:           -304.527        #kJ/mol        
-     -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0
-
-1.000Cd+2     + 2.000NO3-     = Cd(NO3)2
-     log_k     0.170     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     - 1.000H+     + 1.000H2O     = Cd(OH)+
-     log_k   -10.080     #81BAE/MES
-     delta_h  54.810     #kJ/mol        #81BAE/MES
-     # Enthalpy of formation:           -306.94        #kJ/mol        
-     -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0
-
-1.000Cd+2     - 2.000H+     + 2.000H2O     = Cd(OH)2
-     log_k   -20.900     #91RAI/FEL1
-     delta_h  114.900    #kJ/mol        
-     # Enthalpy of formation:           -532.68        #kJ/mol        
-     -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0
-
-1.000Cd+2     - 3.000H+     + 3.000H2O     = Cd(OH)3-
-     log_k   -33.300     #81BAE/MES
-     delta_h  156.416    #kJ/mol        
-     # Enthalpy of formation:           -776.994        #kJ/mol        
-     -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0
-
-1.000Cd+2     - 4.000H+     + 4.000H2O     = Cd(OH)4-2
-     log_k   -47.480     #91RAI/FEL1
-     delta_h  229.571    #kJ/mol        
-     # Enthalpy of formation:           -989.669        #kJ/mol        
-     -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0
-
-1.000Cd+2     + 1.000Pyrophos-4     = Cd(Pyrophos)-2
-     log_k     8.700     #92CLE/DER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000S2O3-2     = Cd(S2O3)
-     log_k     2.460     
-     delta_h   5.405     #kJ/mol        
-     # Enthalpy of formation:           -722.801        #kJ/mol        #74NAU/RYZ
-     -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0
-
-1.000Cd+2     + 1.000SO4-2     = Cd(SO4)
-     log_k     2.370     #97MAR/SMI
-     delta_h   8.700     #kJ/mol        #97MAR/SMI
-     # Enthalpy of formation:           -976.56        #kJ/mol        
-     -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0
-
-1.000Cd+2     + 2.000SO4-2     = Cd(SO4)2-2
-     log_k     3.440     #76SMI/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2     = Cd(SeCn)+
-     log_k    58.260     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 2.000H+     + 2.000Cn-     + 2.000HSe-     - 2.000H2O     + 1.000O2     = Cd(SeCn)2
-     log_k   115.370     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 3.000H+     + 3.000Cn-     + 3.000HSe-     - 3.000H2O     + 1.500O2     = Cd(SeCn)3-
-     log_k   171.860     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 4.000H+     + 4.000Cn-     + 4.000HSe-     - 4.000H2O     + 2.000O2     = Cd(SeCn)4-2
-     log_k   228.670     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000SeO4-2     = Cd(SeO4)
-     log_k     2.270     #05OLI/NOL
-     delta_h   8.300     #kJ/mol        #05OLI/NOL
-     # Enthalpy of formation:           -671.12        #kJ/mol        
-     -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0
-
-4.000Cd+2     - 4.000H+     + 4.000H2O     = Cd4(OH)4+4
-     log_k   -32.070     
-     delta_h  172.135    #kJ/mol        
-     # Enthalpy of formation:           -1274.865        #kJ/mol        #99YUN/GLU
-     -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0
-
-1.000Cd+2     + 1.000Br-     = CdBr+
-     log_k     2.160     
-     delta_h  -7.959     #kJ/mol        
-     # Enthalpy of formation:           -205.289        #kJ/mol        
-     -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0
-
-1.000Cd+2     + 2.000Br-     = CdBr2
-     log_k     2.920     
-     delta_h  -15.742    #kJ/mol        
-     # Enthalpy of formation:           -334.482        #kJ/mol        
-     -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0
-
-1.000Cd+2     + 3.000Br-     = CdBr3-
-     log_k     3.190     
-     delta_h  -28.845    #kJ/mol        
-     # Enthalpy of formation:           -468.995        #kJ/mol        
-     -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0
-
-1.000Cd+2     + 1.000Cl-     = CdCl+
-     log_k     1.970     #76BAE/MES
-     delta_h  -5.520     #kJ/mol        
-     # Enthalpy of formation:           -248.52        #kJ/mol        
-     -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0
-
-1.000Cd+2     + 2.000Cl-     = CdCl2
-     log_k     2.590     #76BAE/MES
-     delta_h  -14.068    #kJ/mol        
-     # Enthalpy of formation:           -424.148        #kJ/mol        
-     -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0
-
-1.000Cd+2     + 3.000Cl-     = CdCl3-
-     log_k     2.400     #76BAE/MES
-     delta_h  -25.804    #kJ/mol        
-     # Enthalpy of formation:           -602.964        #kJ/mol        
-     -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0
-
-1.000Cd+2     + 4.000Cl-     = CdCl4-2
-     log_k     1.470     #76BAE/MES
-     delta_h  -44.765    #kJ/mol        
-     # Enthalpy of formation:           -789.005        #kJ/mol        
-     -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0
-
-1.000Cd+2     - 1.000H+     + 1.000H2(PO4)-     = CdHPO4
-     log_k    -2.380     #01AYA/MAD
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000HS-     = CdHS+
-     log_k     7.380     #99WAN/TES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cd+2     + 1.000I-     = CdI+
-     log_k     2.090     
-     delta_h  -8.739     #kJ/mol        
-     # Enthalpy of formation:           -141.439        #kJ/mol        
-     -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0
-
-1.000Cd+2     + 2.000I-     = CdI2
-     log_k     3.520     
-     delta_h  -18.988    #kJ/mol        
-     # Enthalpy of formation:           -208.468        #kJ/mol        
-     -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0
-
-1.000Cd+2     + 3.000I-     = CdI3-
-     log_k     4.640     
-     delta_h  -38.647    #kJ/mol        
-     # Enthalpy of formation:           -284.907        #kJ/mol        
-     -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0
-
-1.000Cd+2     + 4.000I-     = CdI4-2
-     log_k     5.480     
-     delta_h  -75.609    #kJ/mol        
-     # Enthalpy of formation:           -378.649        #kJ/mol        
-     -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0
-
-2.000Cl-     - 1.000H2O     + 2.000H+     + 0.500O2     = Cl2
-     log_k    -4.220     
-     delta_h  30.997     #kJ/mol        
-     # Enthalpy of formation:           -23.4        #kJ/mol        #82WAG/EVA
-     -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0
-
-1.000Cl-     + 2.000O2     = ClO4-
-     log_k   -16.130     
-     delta_h  63.248     #kJ/mol        
-     # Enthalpy of formation:           -128.1        #kJ/mol        #89COX/WAG
-     -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0
-
-1.000Cm+3     + 1.000Acetate-     = Cm(Acetate)+2
-     log_k     3.010     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3     + 2.000Acetate-     = Cm(Acetate)2+
-     log_k     4.960     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3     + 3.000Acetate-     = Cm(Acetate)3
-     log_k     6.300     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000CO3-2     + 1.000Cm+3     = Cm(CO3)2-
-     log_k    12.600     #06DUR/CER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000CO3-2     + 1.000Cm+3     = Cm(CO3)3-3
-     log_k    14.600     #06DUR/CER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H2(PO4)-     + 1.000Cm+3     = Cm(H2PO4)+2
-     log_k     2.400     #estimated by correlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000H2(PO4)-     + 1.000Cm+3     = Cm(HPO4)+
-     log_k    -1.700     #estimated by correlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 2.000H2(PO4)-     + 1.000Cm+3     = Cm(HPO4)2-
-     log_k    -5.210     #estimated by correlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Cm+3     + 1.000H2O     = Cm(OH)+2
-     log_k    -7.200     #03GUI/FAN
-     delta_h  79.365     #kJ/mol        
-     # Enthalpy of formation:           -821.465        #kJ/mol        
-     -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Cm+3     + 2.000H2O     = Cm(OH)2+
-     log_k   -15.100     #03GUI/FAN
-     delta_h  144.956    #kJ/mol        
-     # Enthalpy of formation:           -1041.704        #kJ/mol        
-     -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0
-
-- 3.000H+     + 1.000Cm+3     + 3.000H2O     = Cm(OH)3
-     log_k   -26.200     #03GUI/FAN
-     delta_h  231.675    #kJ/mol        
-     # Enthalpy of formation:           -1240.815        #kJ/mol        
-     -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0
-
-- 4.000H+     + 1.000Cm+3     + 4.000H2O     = Cm(OH)4-
-     log_k   -40.700     #07NEC/ALT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ox-2     + 1.000Cm+3     = Cm(Ox)+
-     log_k     6.480     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Ox-2     + 1.000Cm+3     = Cm(Ox)2-
-     log_k    10.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000Ox-2     + 1.000Cm+3     = Cm(Ox)3-3
-     log_k    12.840     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 2.000H2(PO4)-     + 1.000Cm+3     = Cm(PO4)2-3
-     log_k   -19.230     #estimated by corrlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cm+3     + 1.000Phthalat-2     = Cm(Phthalat)+
-     log_k     4.930     #11GRI/COL3 from 95PAN/KLE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2     + 1.000Cm+3     = Cm(SO4)2-
-     log_k     4.570     #12SKE/PAN, same as Am, revised in the 2012 update.
-     delta_h  20.880     #kJ/mol        
-     # Enthalpy of formation:           -2412.8        #kJ/mol        #estimated by analogy with Ln
-     -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0
-
-1.000CO3-2     + 1.000Cm+3     = CmCO3+
-     log_k     7.900     #06DUR/CER
-     delta_h  153.982    #kJ/mol        
-     # Enthalpy of formation:           -1136.248        #kJ/mol        
-     -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0
-
-1.000Cl-     + 1.000Cm+3     = CmCl+2
-     log_k     0.240     #03GUI/FAN, same as Am
-     delta_h  22.512     #kJ/mol        
-     # Enthalpy of formation:           -759.568        #kJ/mol        
-     -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0
-
-2.000Cl-     + 1.000Cm+3     = CmCl2+
-     log_k    -0.740     #03GUI/FAN, same as Am
-     delta_h  41.165     #kJ/mol        
-     # Enthalpy of formation:           -907.995        #kJ/mol        
-     -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0
-
-1.000F-     + 1.000Cm+3     = CmF+2
-     log_k     3.400     #03GUI/FAN, same as Am
-     delta_h  25.613     #kJ/mol        
-     # Enthalpy of formation:           -924.737        #kJ/mol        
-     -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0
-
-2.000F-     + 1.000Cm+3     = CmF2+
-     log_k     5.800     #03GUI/FAN, same as Am
-     delta_h  20.620     #kJ/mol        
-     # Enthalpy of formation:           -1265.08        #kJ/mol        
-     -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0
-
-3.000F-     + 1.000Cm+3     = CmF3
-     log_k    11.180     #69AZI/LYL
-     delta_h  -15.485    #kJ/mol        
-     # Enthalpy of formation:           -1636.535        #kJ/mol        
-     -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0
-
-1.000H+     + 1.000CO3-2     + 1.000Cm+3     = CmHCO3+2
-     log_k    13.430     #03GUI/FAN, same as Am
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3-     + 1.000Cm+3     = CmNO3+2
-     log_k     1.330     #95SIL/BID
-     delta_h   1.800     #kJ/mol        #09SKE/PAN
-     # Enthalpy of formation:           -819.926        #kJ/mol        
-     -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
-
-- 2.000H+     + 1.000H2(PO4)-     + 1.000Cm+3     = CmPO4
-     log_k    -7.660     #estimated by correlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2     + 1.000Cm+3     = CmSO4+
-     log_k     3.450     #12SKE/PAN, same as Am, revised in the 2012 update.
-     delta_h  15.640     #kJ/mol        
-     # Enthalpy of formation:           -1508.7        #kJ/mol        #estimated by analogy with Ln
-     -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0
-
-- 1.000H+     + 1.000H4(SiO4)     + 1.000Cm+3     = CmSiO(OH)3+2
-     log_k    -2.310     #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 2.000HS-     = Co(HS)2
-     log_k     8.770     #66KHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     - 1.000H+     + 1.000H2O     = Co(OH)+
-     log_k    -9.230     #98PLY/ZHA1
-     delta_h  45.962     #kJ/mol        
-     # Enthalpy of formation:           -297.468        #kJ/mol        
-     -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0
-
-1.000Co+2     - 2.000H+     + 2.000H2O     = Co(OH)2
-     log_k   -18.600     #98PLY/ZHA1
-     delta_h  105.707    #kJ/mol        
-     # Enthalpy of formation:           -523.553        #kJ/mol        
-     -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0
-
-1.000Co+2     - 3.000H+     + 3.000H2O     = Co(OH)3-
-     log_k   -31.700     #98PLY/ZHA1
-     delta_h  160.297    #kJ/mol        
-     # Enthalpy of formation:           -754.792        #kJ/mol        
-     -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0
-
-1.000Co+2     - 4.000H+     + 4.000H2O     = Co(OH)4-2
-     log_k   -46.420     #98PLY/ZHA1
-     delta_h  214.483    #kJ/mol        
-     # Enthalpy of formation:           -986.436        #kJ/mol        
-     -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0
-
-1.000Co+2     + 1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2     = Co(SeCn)+
-     log_k    57.520     #75SAT/SAH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 1.000SeO4-2     = Co(SeO4)
-     log_k     2.700     #05OLI/NOL
-     delta_h  -3.654     #kJ/mol        
-     # Enthalpy of formation:           -664.754        #kJ/mol        
-     -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0
-
-2.000Co+2     - 1.000H+     + 1.000H2O     = Co2(OH)+3
-     log_k    -9.830     #98PLY/ZHA1
-     delta_h  30.030     #kJ/mol        
-     # Enthalpy of formation:           -371        #kJ/mol        #98PLY/ZHA1
-     -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0
-
-4.000Co+2     - 4.000H+     + 4.000H2O     = Co4(OH)4+4
-     log_k   -29.880     #98PLY/ZHA1
-     delta_h  149.720    #kJ/mol        
-     # Enthalpy of formation:           -1224        #kJ/mol        #98PLY/ZHA1
-     -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0
-
-1.000Co+2     + 1.000CO3-2     = CoCO3
-     log_k     4.230     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 1.000Cl-     = CoCl+
-     log_k     0.570     #81TUR/WHI
-     delta_h  -2.180     #kJ/mol        
-     # Enthalpy of formation:           -226.859        #kJ/mol        
-     -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0
-
-1.000Co+2     + 2.000Cl-     = CoCl2
-     log_k     0.020     #06BLA/IGN
-     delta_h   4.074     #kJ/mol        #06BLA/IGN
-     # Enthalpy of formation:           -387.686        #kJ/mol        
-     -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0
-
-1.000Co+2     + 3.000Cl-     = CoCl3-
-     log_k    -1.710     #06BLA/IGN
-     delta_h   6.688     #kJ/mol        #06BLA/IGN
-     # Enthalpy of formation:           -552.152        #kJ/mol        
-     -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0
-
-1.000Co+2     + 4.000Cl-     = CoCl4-2
-     log_k    -2.090     #06BLA/IGN
-     delta_h  22.570     #kJ/mol        #06BLA/IGN
-     # Enthalpy of formation:           -703.35        #kJ/mol        
-     -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0
-
-1.000Co+2     + 1.000F-     = CoF+
-     log_k     1.500     #97MAR/SMI
-     delta_h  -0.631     #kJ/mol        
-     # Enthalpy of formation:           -393.581        #kJ/mol        
-     -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0
-
-1.000Co+2     + 1.000H+     + 1.000CO3-2     = CoHCO3+
-     log_k    12.220     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     - 1.000H+     + 1.000H2(PO4)-     = CoHPO4
-     log_k    -4.150     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 1.000HS-     = CoHS+
-     log_k     5.670     #66KHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 1.000S2O3-2     = CoS2O3
-     log_k     2.050     #51DEN/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Co+2     + 1.000SO4-2     = CoSO4
-     log_k     2.300     #97MAR/SMI
-     delta_h   2.092     #kJ/mol        #74NAU/RYZ
-     # Enthalpy of formation:           -964.848        #kJ/mol        
-     -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0
-
-1.000H2(PO4)-     + 1.000Cr+3     = Cr(H2PO4)+2
-     log_k     2.560     #66LAH/ADI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000H2(PO4)-     + 1.000Cr+3     = Cr(HPO4)+
-     log_k     2.250     #76ALE/MAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cr+3     + 2.000CO3-2     + 1.000H2O     - 1.000H+     = Cr(OH)(CO3)2-2
-     log_k     9.730     #07RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Cr+2     + 1.000H2O     = Cr(OH)+
-     log_k    -5.300     #83MIC/DEB, 04CHI
-     delta_h  30.327     #kJ/mol        
-     # Enthalpy of formation:           -413.123        #kJ/mol        
-     -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000Cr+3     + 1.000H2O     = Cr(OH)+2
-     log_k    -3.420     #04RAI/MOO
-     delta_h  37.165     #kJ/mol        
-     # Enthalpy of formation:           -489.164        #kJ/mol        
-     -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Cr+3     + 2.000H2O     = Cr(OH)2+
-     log_k    -8.900     #11GRI/COL4
-     delta_h  93.201     #kJ/mol        
-     # Enthalpy of formation:           -718.958        #kJ/mol        
-     -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0
-
-- 3.000H+     + 1.000Cr+3     + 3.000H2O     = Cr(OH)3
-     log_k   -14.340     #04RAI/MOO
-     delta_h  143.689    #kJ/mol        
-     # Enthalpy of formation:           -954.3        #kJ/mol        
-     -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0
-
-- 3.000H+     + 1.000H2(PO4)-     + 1.000Cr+3     + 3.000H2O     = Cr(OH)3(H2PO4)-
-     log_k   -11.560     #04RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H2(PO4)-     + 1.000Cr+3     + 3.000H2O     - 3.000H+     = Cr(OH)3(H2PO4)2-2
-     log_k   -10.860     #04RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000H2(PO4)-     + 1.000Cr+3     + 3.000H2O     = Cr(OH)3(HPO4)-2
-     log_k   -19.580     #04RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+     + 1.000H2(PO4)-     + 1.000Cr+3     + 3.000H2O     = Cr(OH)3(PO4)-3
-     log_k   -30.240     #98ZIE/JON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cr+3     + 1.000CO3-2     + 4.000H2O     - 4.000H+     = Cr(OH)4(CO3)-3
-     log_k   -25.690     #07RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+     + 2.000H2(PO4)-     + 1.000Cr+3     + 4.000H2O     = Cr(OH)4(HPO4)(H2PO4)-4
-     log_k   -28.760     #98ZIE/JON
-     delta_h  14.000     #kJ/mol        #98ZIE/JON
-     # Enthalpy of formation:           -3975.04        #kJ/mol        
-     -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0
-
-- 4.000H+     + 1.000Cr+3     + 4.000H2O     = Cr(OH)4-
-     log_k   -25.860     #04RAI/MOO
-     delta_h  193.604    #kJ/mol        
-     # Enthalpy of formation:           -1190.214        #kJ/mol        
-     -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0
-
-1.000Cr+3     + 1.000CO3-2     + 1.000H2O     - 1.000H+     = Cr(OH)CO3
-     log_k     4.000     #07RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 2.000Cl-     + 1.000Cr+3     + 1.000H2O     = Cr(OH)Cl2
-     log_k    -5.730     
-     delta_h  32.720     #kJ/mol        
-     # Enthalpy of formation:           -827.77        #kJ/mol        #76DEL/HEP
-     -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0
-
-- 2.000H+     + 2.000Cr+3     + 2.000H2O     = Cr2(OH)2+4
-     log_k    -4.000     #11GRI/COL4
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 2.000CrO4-2     - 1.000H2O     = Cr2O7-2
-     log_k    14.750     #87PAL/WES, 04CHI
-     delta_h  -3.752     #kJ/mol        
-     # Enthalpy of formation:           -1475.923        #kJ/mol        
-     -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0
-
-- 4.000H+     + 3.000Cr+3     + 4.000H2O     = Cr3(OH)4+5
-     log_k    -7.600     #11GRI/COL4
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Br-     + 1.000Cr+3     = CrBr+2
-     log_k    -0.620     
-     delta_h  22.600     #kJ/mol        
-     # Enthalpy of formation:           -339.322        #kJ/mol        #76DEL/HEP
-     -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0
-
-1.000Cl-     + 1.000Cr+2     = CrCl+
-     log_k     5.600     #91ALL/BRO
-     delta_h  -20.200    #kJ/mol        #91ALL/BRO
-     # Enthalpy of formation:           -344.9        #kJ/mol        
-     -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0
-
-1.000Cl-     + 1.000Cr+3     = CrCl+2
-     log_k     0.620     #64SIL/MAR
-     delta_h  20.920     #kJ/mol        #64SIL/MAR
-     # Enthalpy of formation:           -386.66        #kJ/mol        
-     -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-2.000Cl-     + 1.000Cr+3     = CrCl2+
-     log_k    -0.710     #64SIL/MAR
-     delta_h  20.920     #kJ/mol        #64SIL/MAR
-     # Enthalpy of formation:           -553.74        #kJ/mol        
-     -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-1.000F-     + 1.000Cr+3     = CrF+2
-     log_k     5.210     #81TUR/WHI
-     delta_h  -2.510     #kJ/mol        #53HEP/JOL
-     # Enthalpy of formation:           -578.36        #kJ/mol        
-     -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0
-
-2.000F-     + 1.000Cr+3     = CrF2+
-     log_k     9.310     #81TUR/WHI
-     delta_h  -0.418     #kJ/mol        #53HEP/JOL
-     # Enthalpy of formation:           -911.618        #kJ/mol        
-     -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0
-
-3.000F-     + 1.000Cr+3     = CrF3
-     log_k    11.910     #81TUR/WHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Cl-     + 1.000CrO4-2     - 1.000H2O     = CrO3Cl-
-     log_k     8.080     
-     delta_h   5.500     #kJ/mol        
-     # Enthalpy of formation:           -754.8        #kJ/mol        #76DEL/HEP
-     -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0
-
-1.000SO4-2     + 1.000Cr+3     = CrSO4+
-     log_k     4.610     #81TUR/WHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+     + 1.000Cit-3     = Cs(Cit)-2
-     log_k     0.980     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+     + 1.000Edta-4     = Cs(Edta)-3
-     log_k     1.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+     + 1.000Nta-3     = Cs(Nta)-2
-     log_k     0.850     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cs+     - 1.000H+     + 1.000H2O     = Cs(OH)
-     log_k   -15.640     
-     delta_h  65.736     #kJ/mol        
-     # Enthalpy of formation:           -478.094        #kJ/mol        #97SHO/SAS2
-     -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0
-
-1.000Cs+     + 1.000Br-     = CsBr
-     log_k     0.090     
-     delta_h   5.922     #kJ/mol        
-     # Enthalpy of formation:           -373.488        #kJ/mol        
-     -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0
-
-1.000Cs+     + 1.000Cl-     = CsCl
-     log_k    -0.090     
-     delta_h   7.523     #kJ/mol        
-     # Enthalpy of formation:           -417.557        #kJ/mol        
-     -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0
-
-1.000Cs+     + 1.000F-     = CsF
-     log_k    -0.380     
-     delta_h   2.446     #kJ/mol        
-     # Enthalpy of formation:           -590.904        #kJ/mol        
-     -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0
-
-1.000Cs+     + 1.000I-     = CsI
-     log_k     1.050     
-     delta_h  -0.055     #kJ/mol        
-     # Enthalpy of formation:           -314.835        #kJ/mol        
-     -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0
-
-1.000Cu+2     + 1.000B(OH)4-     = Cu(B(OH)4)+
-     log_k     7.130     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2     + 2.000B(OH)4-     = Cu(B(OH)4)2
-     log_k    12.450     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2     + 3.000B(OH)4-     = Cu(B(OH)4)3-
-     log_k    15.170     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cu+2     + 1.000SeO4-2     = Cu(SeO4)
-     log_k     2.200     #Upper value suggested in 05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000Acetate-     = Eu(Acetate)+2
-     log_k     2.900     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 2.000Acetate-     = Eu(Acetate)2+
-     log_k     4.800     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 3.000Acetate-     = Eu(Acetate)3
-     log_k     5.600     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000CO3-2     = Eu(CO3)+
-     log_k     7.900     #95SPA/BRU
-     delta_h  167.549    #kJ/mol        
-     # Enthalpy of formation:           -1113.013        #kJ/mol        
-     -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0
-
-1.000Eu+3     + 2.000CO3-2     = Eu(CO3)2-
-     log_k    12.900     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 3.000CO3-2     = Eu(CO3)3-3
-     log_k    14.800     #05VER/VIT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000H2(PO4)-     = Eu(H2PO4)+2
-     log_k     2.400     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000H+     + 1.000CO3-2     = Eu(HCO3)+2
-     log_k    12.430     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 1.000H+     + 1.000H2(PO4)-     = Eu(HPO4)+
-     log_k    -1.510     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 2.000H+     + 2.000H2(PO4)-     = Eu(HPO4)2-
-     log_k    -4.820     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000Malonate-2     = Eu(Malonate)+
-     log_k     5.430     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 2.000Malonate-2     = Eu(Malonate)2-
-     log_k     7.780     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000NO3-     = Eu(NO3)+2
-     log_k     1.210     #09RAO/TIA1 (Calculated usig SIT)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 1.000H+     + 1.000H2O     = Eu(OH)+2
-     log_k    -7.800     #95SPA/BRU
-     delta_h  79.824     #kJ/mol        
-     # Enthalpy of formation:           -811.337        #kJ/mol        
-     -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0
-
-1.000Eu+3     - 2.000H+     + 2.000H2O     = Eu(OH)2+
-     log_k   -15.700     #07NEC/ALT2
-     delta_h  144.521    #kJ/mol        
-     # Enthalpy of formation:           -1032.471        #kJ/mol        
-     -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0
-
-1.000Eu+3     - 3.000H+     + 3.000H2O     = Eu(OH)3
-     log_k   -26.200     #07NEC/ALT2
-     delta_h  226.860    #kJ/mol        
-     # Enthalpy of formation:           -1235.961        #kJ/mol        
-     -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0
-
-1.000HIsa-     + 1.000Eu+3     + 3.000H2O     - 3.000H+     = Eu(OH)3(HIsa)-
-     log_k   -20.900     #05TIT/WIE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 4.000H+     + 4.000H2O     = Eu(OH)4-
-     log_k   -40.700     #07NEC/ALT2
-     delta_h  296.791    #kJ/mol        
-     # Enthalpy of formation:           -1451.86        #kJ/mol        
-     -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0
-
-1.000Eu+3     + 1.000Ox-2     = Eu(Ox)+
-     log_k     6.550     #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 2.000Ox-2     = Eu(Ox)2-
-     log_k    10.930     # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 3.000Ox-2     = Eu(Ox)3-3
-     log_k    12.480     #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 2.000H+     + 1.000H2(PO4)-     = Eu(PO4)
-     log_k    -7.360     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     - 4.000H+     + 2.000H2(PO4)-     = Eu(PO4)2-3
-     log_k   -18.460     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000Phthalat-2     = Eu(Phthalat)+
-     log_k     4.960     #11GRI/COL3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 2.000Phthalat-2     = Eu(Phthalat)2-
-     log_k     7.340     #11GRI/COL3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000SO4-2     = Eu(SO4)+
-     log_k     3.500     #95SPA/BRU
-     delta_h  15.577     #kJ/mol        
-     # Enthalpy of formation:           -1499.094        #kJ/mol        
-     -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0
-
-1.000Eu+3     + 2.000SO4-2     = Eu(SO4)2-
-     log_k     5.200     #95SPA/BRU
-     delta_h  27.787     #kJ/mol        
-     # Enthalpy of formation:           -2396.224        #kJ/mol        
-     -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0
-
-1.000Eu+3     + 1.000Succinat-2     = Eu(Succinat)+
-     log_k     4.360     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 2.000Succinat-2     = Eu(Succinat)2-
-     log_k     6.500     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Eu+3     + 1.000Br-     = EuBr+2
-     log_k     0.250     #95SPA/BRU
-     delta_h  16.223     #kJ/mol        
-     # Enthalpy of formation:           -710.518        #kJ/mol        
-     -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0
-
-1.000Eu+3     + 2.000Br-     = EuBr2+
-     log_k    -0.090     #95SPA/BRU
-     delta_h  26.498     #kJ/mol        
-     # Enthalpy of formation:           -821.653        #kJ/mol        
-     -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0
-
-1.000Eu+3     + 1.000Cl-     = EuCl+2
-     log_k     0.760     #Original data 01LUO/BYR and 04LUO/BYR
-     delta_h  21.929     #kJ/mol        
-     # Enthalpy of formation:           -750.482        #kJ/mol        
-     -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0
-
-1.000Eu+3     + 2.000Cl-     = EuCl2+
-     log_k    -0.050     #95SPA/BRU
-     delta_h  35.334     #kJ/mol        
-     # Enthalpy of formation:           -904.158        #kJ/mol        
-     -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0
-
-1.000Eu+3     + 1.000F-     = EuF+2
-     log_k     4.330     #07LUO/BYR
-     delta_h  24.956     #kJ/mol        
-     # Enthalpy of formation:           -915.725        #kJ/mol        
-     -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0
-
-1.000Eu+3     + 2.000F-     = EuF2+
-     log_k     6.550     #Original data from 99SCH/BYR and 04LUO/BYR
-     delta_h  21.483     #kJ/mol        
-     # Enthalpy of formation:           -1254.548        #kJ/mol        
-     -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0
-
-1.000Eu+3     + 3.000F-     = EuF3
-     log_k    10.600     #95SPA/BRU
-     delta_h  -8.343     #kJ/mol        
-     # Enthalpy of formation:           -1619.724        #kJ/mol        
-     -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0
-
-1.000Eu+3     - 1.000H+     + 1.000H4(SiO4)     = EuSiO(OH)3+2
-     log_k    -2.620     #Original data 07THA/SIN and 96JEN/CHO1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000B(OH)4-     = Fe(B(OH)4)+2
-     log_k     8.580     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000B(OH)4-     = Fe(B(OH)4)2+
-     log_k    15.540     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000CO3-2     = Fe(CO3)
-     log_k     5.690     #99CHI3
-     delta_h  -5.764     #kJ/mol        
-     # Enthalpy of formation:           -770.994        #kJ/mol        
-     -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0
-
-1.000Fe+2     + 2.000CO3-2     = Fe(CO3)2-2
-     log_k     7.450     #98KIN in 99CHI3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 3.000CO3-2     = Fe(CO3)3-3
-     log_k    24.240     #05GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Cit-3     = Fe(Cit)
-     log_k    12.650     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000Cit-3     + 1.000H2O     = Fe(Cit)(OH)-
-     log_k    10.330     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000Cit-3     = Fe(Cit)-
-     log_k     6.100     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 2.000H+     + 2.000Cit-3     + 2.000H2O     = Fe(Cit)2(OH)2-5
-     log_k     3.440     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000Cit-3     = Fe(Cit)2-3
-     log_k    18.150     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 6.000Cn-     = Fe(Cn)6-3
-     log_k    43.600     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 6.000Cn-     = Fe(Cn)6-4
-     log_k    35.400     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Edta-4     = Fe(Edta)-
-     log_k    27.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000Edta-4     = Fe(Edta)-2
-     log_k    16.020     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000H+     + 1.000Cit-3     = Fe(H2Cit)+
-     log_k    24.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000H+     + 1.000Cit-3     = Fe(H2Cit)+2
-     log_k    30.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H2(PO4)-     = Fe(H2PO4)+
-     log_k     2.690     #USGS original
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H2(PO4)-     = Fe(H2PO4)+2
-     log_k     5.420     #USGS original
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000H4(SiO4)     = Fe(H3SiO4)+2
-     log_k     0.360     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H+     + 1.000Cit-3     = Fe(HCit)
-     log_k    10.020     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 2.000Cit-3     = Fe(HCit)(Cit)-2
-     log_k    19.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 1.000Cit-3     = Fe(HCit)+
-     log_k    13.560     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000H+     + 2.000Cit-3     = Fe(HCit)2-
-     log_k    24.920     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 1.000Edta-4     = Fe(HEdta)
-     log_k    29.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H+     + 1.000Edta-4     = Fe(HEdta)-
-     log_k    18.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H+     + 1.000Nta-3     = Fe(HNta)
-     log_k    12.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 1.000Ox-2     = Fe(HOx)+2
-     log_k     9.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000H2(PO4)-     = Fe(HPO4)
-     log_k    -3.610     #USGS original
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000H2(PO4)-     = Fe(HPO4)+
-     log_k     1.630     #96BOU4
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000HS-     = Fe(HS)+
-     log_k     4.340     #04CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000HS-     = Fe(HS)2
-     log_k     6.450     #04CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H+     + 1.000SO4-2     = Fe(HSO4)+
-     log_k     3.070     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 1.000SeO3-2     = Fe(HSeO3)+2
-     log_k    12.350     #01SEB/POT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000NH3     = Fe(NH3)+2
-     log_k     1.300     #82SCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000NH3     = Fe(NH3)2+2
-     log_k     2.100     #82SCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 4.000NH3     = Fe(NH3)4+2
-     log_k     3.600     #82SCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000NO3-     = Fe(NO3)+2
-     log_k     0.950     #HATCHES 8.0 1996
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Nta-3     = Fe(Nta)
-     log_k    18.600     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000Nta-3     = Fe(Nta)-
-     log_k    10.600     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000Nta-3     = Fe(Nta)2-3
-     log_k    27.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000Nta-3     = Fe(Nta)2-4
-     log_k    13.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000Cit-3     + 1.000H2O     = Fe(OH)(Cit)-2
-     log_k     1.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000Edta-4     + 1.000H2O     = Fe(OH)(Edta)-2
-     log_k    20.840     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000Edta-4     + 1.000H2O     = Fe(OH)(Edta)-3
-     log_k     6.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = Fe(OH)(Nta)-
-     log_k    14.600     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = Fe(OH)(Nta)-2
-     log_k    -0.120     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000H2O     = Fe(OH)+
-     log_k    -9.500     #76BAE/MES in 99CHI3
-     delta_h  55.304     #kJ/mol        
-     # Enthalpy of formation:           -320.526        #kJ/mol        
-     -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000H2O     = Fe(OH)+2
-     log_k    -2.190     #76BAE/MES in 98CHI
-     delta_h  43.514     #kJ/mol        
-     # Enthalpy of formation:           -291.316        #kJ/mol        
-     -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0
-
-1.000Fe+2     - 2.000H+     + 2.000H2O     = Fe(OH)2
-     log_k   -20.600     #76BAE/MES in 99CHI3
-     delta_h  119.662    #kJ/mol        
-     # Enthalpy of formation:           -541.998        #kJ/mol        
-     -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0
-
-1.000Fe+3     - 2.000H+     + 1.000Cit-3     + 2.000H2O     = Fe(OH)2(Cit)-2
-     log_k     2.900     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 2.000H+     + 1.000Edta-4     + 2.000H2O     = Fe(OH)2(Edta)-3
-     log_k    10.060     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 2.000H+     + 1.000Edta-4     + 2.000H2O     = Fe(OH)2(Edta)-4
-     log_k    -4.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 2.000H+     + 1.000Nta-3     + 2.000H2O     = Fe(OH)2(Nta)-2
-     log_k     6.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 2.000H+     + 2.000H2O     = Fe(OH)2+
-     log_k    -5.670     #76BAE/MES in 98CHI
-     delta_h  71.546     #kJ/mol        
-     # Enthalpy of formation:           -549.114        #kJ/mol        
-     -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0
-
-1.000Fe+3     - 3.000H+     + 3.000H2O     = Fe(OH)3
-     log_k   -12.560     #91PEA/BER in 98CHI
-     delta_h  103.764    #kJ/mol        
-     # Enthalpy of formation:           -802.726        #kJ/mol        
-     -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0
-
-1.000Fe+3     - 3.000H+     + 1.000Edta-4     + 3.000H2O     = Fe(OH)3(Edta)-4
-     log_k     8.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 3.000H+     + 3.000H2O     = Fe(OH)3-
-     log_k   -31.900     #76BAE/MES in 99CHI3
-     delta_h  138.072    #kJ/mol        
-     # Enthalpy of formation:           -809.418        #kJ/mol        
-     -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0
-
-1.000Fe+3     - 4.000H+     + 4.000H2O     = Fe(OH)4-
-     log_k   -21.600     #76BAE/MES in 98CHI
-     delta_h  133.471    #kJ/mol        
-     # Enthalpy of formation:           -1058.849        #kJ/mol        
-     -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0
-
-1.000Fe+2     - 4.000H+     + 4.000H2O     = Fe(OH)4-2
-     log_k   -46.000     #76BAE/MES in 99CHI3
-     delta_h  158.797    #kJ/mol        
-     # Enthalpy of formation:           -1074.523        #kJ/mol        
-     -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0
-
-1.000Fe+2     + 1.000Ox-2     = Fe(Ox)
-     log_k     4.100     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Ox-2     = Fe(Ox)+
-     log_k     9.530     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000Ox-2     = Fe(Ox)2-
-     log_k    15.750     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000Ox-2     = Fe(Ox)2-2
-     log_k     6.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 3.000Ox-2     = Fe(Ox)3-3
-     log_k    20.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 3.000Ox-2     = Fe(Ox)3-4
-     log_k     5.220     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000SO4-2     = Fe(SO4)
-     log_k     2.200     #91PEA/BER in 98CHI
-     delta_h  13.514     #kJ/mol        
-     # Enthalpy of formation:           -985.826        #kJ/mol        
-     -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0
-
-1.000Fe+3     + 1.000SO4-2     = Fe(SO4)+
-     log_k     4.100     #95BOU in 98CHI
-     delta_h  16.359     #kJ/mol        
-     # Enthalpy of formation:           -941.981        #kJ/mol        
-     -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0
-
-1.000Fe+3     + 2.000SO4-2     = Fe(SO4)2-
-     log_k     5.400     #91PEA/BER in 98CHI
-     delta_h  19.248     #kJ/mol        
-     # Enthalpy of formation:           -1848.432        #kJ/mol        
-     -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0
-
-1.000Fe+3     + 1.000SeO3-2     = Fe(SeO3)+
-     log_k    11.150     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000SeO4-2     = Fe(SeO4)
-     log_k     2.710     #01SEB/POT2
-     delta_h  -12.601    #kJ/mol        
-     # Enthalpy of formation:           -706.101        #kJ/mol        
-     -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0
-
-2.000Fe+3     - 2.000H+     + 2.000Cit-3     + 2.000H2O     = Fe2(Cit)2(OH)2-2
-     log_k    45.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Fe+3     - 2.000H+     + 2.000Edta-4     + 2.000H2O     = Fe2(OH)2(Edta)2-4
-     log_k    68.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Fe+3     - 2.000H+     + 2.000H2O     = Fe2(OH)2+4
-     log_k    -2.950     #91PEA/BER in 98CHI
-     delta_h  56.484     #kJ/mol        
-     # Enthalpy of formation:           -613.175        #kJ/mol        
-     -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0
-
-3.000Fe+3     - 4.000H+     + 4.000H2O     = Fe3(OH)4+5
-     log_k    -6.300     #76BAE/MES in 98CHI
-     delta_h  59.831     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0
-
-1.000Fe+3     + 1.000Br-     = FeBr+2
-     log_k     0.700     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000Br-     = FeBr2+
-     log_k     0.900     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     - 1.000H+     + 1.000CO3-2     + 1.000H2O     = FeCO3OH
-     log_k    10.760     #05GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     - 1.000H+     + 1.000CO3-2     + 1.000H2O     = FeCO3OH-
-     log_k    -4.030     #98KIN in 99CHI3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000Cl-     = FeCl+
-     log_k     0.140     #91PEA/BER in 98CHI
-     delta_h  -0.078     #kJ/mol        
-     # Enthalpy of formation:           -257.158        #kJ/mol        
-     -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Cl-     = FeCl+2
-     log_k     1.400     #95BOU in 98CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 2.000Cl-     = FeCl2
-     log_k    -0.520     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 2.000Cl-     = FeCl2+
-     log_k     2.100     #95BOU in 98CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 3.000Cl-     = FeCl3
-     log_k     1.130     #90NOR/PLU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 3.000Cl-     = FeCl3-
-     log_k     1.020     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 4.000Cl-     = FeCl4-
-     log_k    -0.790     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000CrO4-2     = FeCrO4+
-     log_k     7.800     #96BAR/PAL
-     delta_h  19.100     #kJ/mol        #96BAR/PAL
-     # Enthalpy of formation:           -908.9        #kJ/mol        
-     -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0
-
-1.000Fe+2     + 1.000F-     = FeF+
-     log_k     1.000     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000F-     = FeF+2
-     log_k     6.130     #92PEA/BER in 98CHI
-     delta_h  11.297     #kJ/mol        
-     # Enthalpy of formation:           -373.053        #kJ/mol        
-     -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0
-
-1.000Fe+3     + 2.000F-     = FeF2+
-     log_k    10.800     #92PEA/BER in 98CHI
-     delta_h  19.665     #kJ/mol        
-     # Enthalpy of formation:           -700.035        #kJ/mol        
-     -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0
-
-1.000Fe+3     + 3.000F-     = FeF3
-     log_k    14.000     #92PEA/BER in 98CHI
-     delta_h  22.595     #kJ/mol        
-     # Enthalpy of formation:           -1032.455        #kJ/mol        
-     -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0
-
-1.000Fe+3     + 2.000H+     + 1.000Pyrophos-4     = FeH2Pyrophos+
-     log_k    26.000     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+2     + 1.000H+     + 1.000CO3-2     = FeHCO3+
-     log_k    11.770     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000H+     + 1.000SO4-2     = FeHSO4+2
-     log_k     4.470     #90NOR/PLU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000I-     = FeI+2
-     log_k     2.100     #96BOU2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000S2O3-2     = FeS2O3+
-     log_k     3.900     #82SCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Fe+3     + 1.000Scn-     = FeScn+2
-     log_k     3.100     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Adipate-2     = H(Adipate)-
-     log_k     5.450     #04MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000H3(AsO3)     = H(AsO3)-2
-     log_k   -23.620     #79IVA/VOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000AsO4-3     = H(AsO4)-2
-     log_k    11.600     
-     delta_h  -18.200    #kJ/mol        
-     # Enthalpy of formation:           -906.34        #kJ/mol        #09RAN/FUG
-     -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0
-
-1.000H+     + 1.000Cit-3     = H(Cit)-2
-     log_k     6.360     #05HUM/AND
-     delta_h   3.300     #kJ/mol        
-     # Enthalpy of formation:           -1516.62        #kJ/mol        
-     -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0
-
-1.000H+     + 1.000Edta-4     = H(Edta)-3
-     log_k    11.240     #05HUM/AND
-     delta_h  -19.800    #kJ/mol        
-     # Enthalpy of formation:           -1724.6        #kJ/mol        
-     -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0
-
-1.000H+     + 1.000Malonate-2     = H(Malonate)-
-     log_k     5.710     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Nta-3     = H(Nta)-2
-     log_k    10.280     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Ox-2     = H(Ox)-
-     log_k     4.250     #05HUM/AND
-     delta_h   7.300     #kJ/mol        
-     # Enthalpy of formation:           -823.36        #kJ/mol        
-     -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0
-
-1.000H+     + 1.000Pyrophos-4     = H(Pyrophos)-3
-     log_k     9.400     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000S2O3-2     = H(S2O3)-
-     log_k     1.720     #04CHI
-     delta_h   8.253     #kJ/mol        
-     # Enthalpy of formation:           -644.033        #kJ/mol        
-     -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0
-
-1.000H+     + 1.000SO3-2     = H(SO3)-
-     log_k     7.170     #85GOL/PAR
-     delta_h   3.668     #kJ/mol        
-     # Enthalpy of formation:           -627.392        #kJ/mol        
-     -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0
-
-1.000H+     + 1.000SO4-2     = H(SO4)-
-     log_k     1.980     
-     delta_h  22.440     #kJ/mol        
-     # Enthalpy of formation:           -886.9        #kJ/mol        
-     -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0
-
-1.000H+     + 1.000SeO3-2     = H(SeO3)-
-     log_k     8.360     #05OLI/NOL
-     delta_h  -5.170     #kJ/mol        
-     # Enthalpy of formation:           -512.33        #kJ/mol        #05OLI/NOL
-     -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0
-
-1.000H+     + 1.000SeO4-2     = H(SeO4)-
-     log_k     1.750     #05OLI/NOL
-     delta_h  20.800     #kJ/mol        #05OLI/NOL
-     # Enthalpy of formation:           -582.7        #kJ/mol        
-     -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0
-
-1.000H+     + 1.000Suberate-2     = H(Suberate)-
-     log_k     5.400     #31GAN/ING
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Succinat-2     = H(Succinat)-
-     log_k     5.710     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Adipate-2     = H2(Adipate)
-     log_k     9.890     #04MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000H3(AsO3)     = H2(AsO3)-
-     log_k    -9.220     
-     delta_h  27.410     #kJ/mol        
-     # Enthalpy of formation:           -714.79        #kJ/mol        #10RAN/FUG
-     -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0
-
-2.000H+     + 1.000AsO4-3     = H2(AsO4)-
-     log_k    18.370     
-     delta_h  -21.420    #kJ/mol        
-     # Enthalpy of formation:           -909.56        #kJ/mol        #09RAN/FUG
-     -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0
-
-2.000H+     + 1.000Cit-3     = H2(Cit)-
-     log_k    11.140     #05HUM/AND
-     delta_h   0.900     #kJ/mol        
-     # Enthalpy of formation:           -1519.02        #kJ/mol        
-     -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0
-
-2.000H+     + 1.000Edta-4     = H2(Edta)-2
-     log_k    18.040     #05HUM/AND
-     delta_h  -35.000    #kJ/mol        
-     # Enthalpy of formation:           -1739.8        #kJ/mol        
-     -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0
-
-2.000H+     + 1.000Malonate-2     = H2(Malonate)
-     log_k     8.670     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Nta-3     = H2(Nta)-
-     log_k    13.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Ox-2     = H2(Ox)
-     log_k     5.650     #05HUM/AND
-     delta_h  10.600     #kJ/mol        #05HUM/AND
-     # Enthalpy of formation:           -820.06        #kJ/mol        
-     -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0
-
-2.000H+     + 1.000Pyrophos-4     = H2(Pyrophos)-2
-     log_k    16.050     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000S2O3-2     = H2(S2O3)
-     log_k     2.320     #04CHI
-     delta_h  22.917     #kJ/mol        
-     # Enthalpy of formation:           -629.369        #kJ/mol        
-     -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0
-
-2.000H+     + 1.000SO3-2     = H2(SO3)
-     log_k     9.030     #85GOL/PAR
-     delta_h  21.453     #kJ/mol        
-     # Enthalpy of formation:           -609.607        #kJ/mol        
-     -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0
-
-2.000H+     + 1.000SeO3-2     = H2(SeO3)
-     log_k    11.000     #05OLI/NOL
-     delta_h   1.840     #kJ/mol        
-     # Enthalpy of formation:           -505.32        #kJ/mol        #05OLI/NOL
-     -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0
-
-- 2.000H+     + 1.000H4(SiO4)     = H2(SiO4)-2
-     log_k   -23.140     #92GRE/FUG
-     delta_h  75.000     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1386.194        #kJ/mol        
-     -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0
-
-2.000H+     + 1.000Suberate-2     = H2(Suberate)
-     log_k     9.920     #31GAN/ING
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Succinat-2     = H2(Succinat)
-     log_k     9.950     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000CrO4-2     = H2CrO4
-     log_k     6.320     #76BAE/MES, 04CHI
-     delta_h  39.596     #kJ/mol        
-     # Enthalpy of formation:           -839.404        #kJ/mol        
-     -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0
-
-2.000H+     + 1.000H2(PO4)-     + 1.000CrO4-2     - 1.000H2O     = H2CrPO7-
-     log_k     9.020     
-     delta_h  -51.490    #kJ/mol        
-     # Enthalpy of formation:           -1947.26        #kJ/mol        #76DEL/HAL
-     -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0
-
-1.000H+     + 1.000HGlu-     = H2Glu
-     log_k     3.900     #98ZUB/CAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000HIsa-     = H2Isa
-     log_k     4.000     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000MoO4-2     = H2MoO4
-     log_k     8.150     #68SAS/SIL, 64AVE/ANA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Phthalat-2     = H2Phthalat
-     log_k     8.320     #10RIC/SAB1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000HS-     = H2S
-     log_k     6.990     
-     delta_h  -22.300    #kJ/mol        
-     # Enthalpy of formation:           -38.6        #kJ/mol        #89COX/WAG
-     -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0
-
-2.000H+     + 1.000S2O4-2     = H2S2O4
-     log_k     2.800     #04CHI
-     delta_h  20.207     #kJ/mol        
-     # Enthalpy of formation:           -733.293        #kJ/mol        
-     -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0
-
-1.000H+     + 1.000HSe-     = H2Se
-     log_k     3.850     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           14.3        #kJ/mol        #05OLI/NOL
-     -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000AsO4-3     = H3(AsO4)
-     log_k    20.630     
-     delta_h  -14.360    #kJ/mol        
-     # Enthalpy of formation:           -902.5        #kJ/mol        #09RAN/FUG
-     -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0
-
-3.000H+     + 1.000Cit-3     = H3(Cit)
-     log_k    14.270     #05HUM/AND
-     delta_h  -3.600     #kJ/mol        
-     # Enthalpy of formation:           -1523.52        #kJ/mol        
-     -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0
-
-3.000H+     + 1.000Edta-4     = H3(Edta)-
-     log_k    21.190     #05HUM/AND
-     delta_h  -27.900    #kJ/mol        
-     # Enthalpy of formation:           -1732.7        #kJ/mol        
-     -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0
-
-3.000H+     + 1.000Nta-3     = H3(Nta)
-     log_k    15.330     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000H2(PO4)-     = H3(PO4)
-     log_k     2.140     #92GRE/FUG
-     delta_h   8.480     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1294.12        #kJ/mol        
-     -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0
-
-3.000H+     + 1.000Pyrophos-4     = H3(Pyrophos)-
-     log_k    18.300     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000H4(SiO4)     = H3(SiO4)-
-     log_k    -9.840     #06BLA/PIA
-     delta_h  29.363     #kJ/mol        
-     # Enthalpy of formation:           -1431.831        #kJ/mol        
-     -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0
-
-4.000H+     + 1.000Edta-4     = H4(Edta)
-     log_k    23.420     #05HUM/AND
-     delta_h  -26.000    #kJ/mol        
-     # Enthalpy of formation:           -1730.8        #kJ/mol        
-     -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0
-
-4.000H+     + 1.000Nta-3     = H4(Nta)+
-     log_k    16.130     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000H+     + 1.000Pyrophos-4     = H4(Pyrophos)
-     log_k    19.300     #92GRE/FUG
-     delta_h   6.684     #kJ/mol        
-     # Enthalpy of formation:           -2280.21        #kJ/mol        #92GRE/FUG
-     -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0
-
-5.000H+     + 1.000Edta-4     = H5(Edta)+
-     log_k    24.720     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000H+     + 1.000Edta-4     = H6(Edta)+2
-     log_k    24.220     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Acetate-     = HAcetate
-     log_k     4.760     
-     delta_h   0.250     #kJ/mol        
-     # Enthalpy of formation:           -485.76        #kJ/mol        #82WAG/EVA
-     -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0
-
-1.000H+     + 2.000B(OH)4-     - 4.000H2O     = HB2O4-
-     log_k     9.170     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000CO3-2     = HCO3-
-     log_k    10.330     
-     delta_h  -14.700    #kJ/mol        
-     # Enthalpy of formation:           -689.93        #kJ/mol        #89COX/WAG
-     -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0
-
-1.000H+     + 1.000Cl-     = HCl
-     log_k    -0.710     #97TAG/ZOT
-     delta_h  -12.298    #kJ/mol        
-     # Enthalpy of formation:           -179.378        #kJ/mol        
-     -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0
-
-1.000H+     + 1.000CrO4-2     = HCrO4-
-     log_k     6.520     #87PAL/WES, 04CHI
-     delta_h   6.016     #kJ/mol        
-     # Enthalpy of formation:           -872.984        #kJ/mol        
-     -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0
-
-1.000H+     + 1.000H2(PO4)-     + 1.000CrO4-2     - 1.000H2O     = HCrPO7-2
-     log_k     6.370     
-     delta_h  -36.390    #kJ/mol        
-     # Enthalpy of formation:           -1932.16        #kJ/mol        #76DEL/HEP
-     -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0
-
-1.000H+     + 1.000MoO4-2     = HMoO4-
-     log_k     4.110     #68SAS/SIL, 64AVE/ANA
-     delta_h  58.576     #kJ/mol        #68ARN/SZI in 76BAE/MES
-     # Enthalpy of formation:           -938.424        #kJ/mol        
-     -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000H2(PO4)-     = HPO4-2
-     log_k    -7.210     
-     delta_h   3.600     #kJ/mol        
-     # Enthalpy of formation:           -1299        #kJ/mol        #89COX/WAG
-     -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0
-
-1.000H+     + 1.000Phthalat-2     = HPhthalat-
-     log_k     5.340     #10RIC/SAB1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000S2O4-2     = HS2O4-
-     log_k     2.500     #04CHI
-     delta_h   3.834     #kJ/mol        
-     # Enthalpy of formation:           -749.666        #kJ/mol        
-     -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0
-
-1.000H+     + 1.000SO4-2     + 0.500O2     = HSO5-
-     log_k   -17.220     
-     delta_h  139.777    #kJ/mol        
-     # Enthalpy of formation:           -775.63        #kJ/mol        #88SHO/HEL
-     -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0
-
-4.000CO3-2     + 1.000Hf+4     = Hf(CO3)4-4
-     log_k    42.900     #analogy with Zr
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000NO3-     + 1.000Hf+4     = Hf(NO3)2+2
-     log_k     2.490     #65DES/KHO recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Hf+4     + 1.000H2O     = Hf(OH)+3
-     log_k    -0.200     #01RAI/XIA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000Hf+4     + 4.000H2O     = Hf(OH)4
-     log_k   -11.200     #01RAI/XIA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+     + 1.000Hf+4     + 5.000H2O     = Hf(OH)5-
-     log_k   -20.300     #01RAI/XIA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+     + 1.000Hf+4     + 6.000H2O     = Hf(OH)6-2
-     log_k   -32.800     #01RAI/XIA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2     + 1.000Hf+4     = Hf(SO4)2
-     log_k    10.110     #65DES/KHO recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Br-     + 1.000Hf+4     = HfBr+3
-     log_k     0.380     #67HAL/POH recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Cl-     + 1.000Hf+4     = HfCl+3
-     log_k     2.200     #65DES/KHO and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Cl-     + 1.000Hf+4     = HfCl2+2
-     log_k     2.050     #65DES/KHO and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F-     + 1.000Hf+4     = HfF+3
-     log_k     9.290     #05SAW/THA and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000F-     + 1.000Hf+4     = HfF2+2
-     log_k    17.850     #05SAW/THA and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000F-     + 1.000Hf+4     = HfF3+
-     log_k    25.080     #05SAW/THA and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000F-     + 1.000Hf+4     = HfF4
-     log_k    31.410     #05SAW/THA and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000I-     + 1.000Hf+4     = HfI+3
-     log_k     0.020     #67HAL/POH recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3-     + 1.000Hf+4     = HfNO3+3
-     log_k     1.850     #65DES/KHO 69HAL/SMO recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2     + 1.000Hf+4     = HfSO4+2
-     log_k     6.060     #65DES/KHO recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     + 2.000H+     + 2.000Cn-     + 2.000HSe-     - 2.000H2O     + 1.000O2     = Hg(SeCn)2
-     log_k   134.330     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     + 3.000H+     + 3.000Cn-     + 3.000HSe-     - 3.000H2O     + 1.500O2     = Hg(SeCn)3-
-     log_k   194.850     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     + 4.000H+     + 4.000Cn-     + 4.000HSe-     - 4.000H2O     + 2.000O2     = Hg(SeCn)4-2
-     log_k   253.370     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     + 2.000SeO3-2     = Hg(SeO3)2-2
-     log_k    14.850     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     - 1.000H+     + 1.000HSe-     = HgSe
-     log_k    37.590     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Hg+2     - 2.000H+     + 2.000HSe-     = HgSe2-2
-     log_k    32.630     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     + 1.000CO3-2     = Ho(CO3)+
-     log_k     8.000     #95SPA/BRU
-     delta_h  168.562    #kJ/mol        
-     # Enthalpy of formation:           -1213.71        #kJ/mol        
-     -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0
-
-1.000Ho+3     + 2.000CO3-2     = Ho(CO3)2-
-     log_k    13.300     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     + 3.000CO3-2     = Ho(CO3)3-3
-     log_k    14.800     #05VER/VIT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     + 1.000H2(PO4)-     = Ho(H2PO4)+2
-     log_k     2.300     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Ho+3     + 1.000CO3-2     = Ho(HCO3)+2
-     log_k    12.500     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Ho+3     + 1.000H2(PO4)-     = Ho(HPO4)+
-     log_k    -1.410     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000Ho+3     + 2.000H2(PO4)-     = Ho(HPO4)2-
-     log_k    -4.520     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     + 1.000NO3-     = Ho(NO3)+2
-     log_k     0.500     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Ho+3     + 1.000H2O     = Ho(OH)+2
-     log_k    -7.900     #95SPA/BRU
-     delta_h  79.900     #kJ/mol        
-     # Enthalpy of formation:           -912.972        #kJ/mol        
-     -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Ho+3     + 2.000H2O     = Ho(OH)2+
-     log_k   -15.700     #07NEC/ALT2
-     delta_h  143.846    #kJ/mol        
-     # Enthalpy of formation:           -1134.856        #kJ/mol        
-     -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0
-
-- 3.000H+     + 1.000Ho+3     + 3.000H2O     = Ho(OH)3
-     log_k   -26.200     #07NEC/ALT2
-     delta_h  226.067    #kJ/mol        
-     # Enthalpy of formation:           -1338.465        #kJ/mol        
-     -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0
-
-- 4.000H+     + 1.000Ho+3     + 4.000H2O     = Ho(OH)4-
-     log_k   -40.700     #07NEC/ALT2
-     delta_h  295.822    #kJ/mol        
-     # Enthalpy of formation:           -1554.54        #kJ/mol        
-     -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0
-
-- 2.000H+     + 1.000Ho+3     + 1.000H2(PO4)-     = Ho(PO4)
-     log_k    -6.960     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000Ho+3     + 2.000H2(PO4)-     = Ho(PO4)2-3
-     log_k   -17.820     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ho+3     + 1.000SO4-2     = Ho(SO4)+
-     log_k     3.400     #95SPA/BRU
-     delta_h  15.387     #kJ/mol        
-     # Enthalpy of formation:           -1600.995        #kJ/mol        
-     -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0
-
-1.000Ho+3     + 2.000SO4-2     = Ho(SO4)2-
-     log_k     4.900     #95SPA/BRU
-     delta_h  23.670     #kJ/mol        
-     # Enthalpy of formation:           -2502.052        #kJ/mol        
-     -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0
-
-1.000Ho+3     + 1.000Cl-     = HoCl+2
-     log_k     0.740     #Original data from 01LUO/BYR and 04LUO/BYR
-     delta_h  22.013     #kJ/mol        
-     # Enthalpy of formation:           -852.109        #kJ/mol        
-     -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0
-
-1.000Ho+3     + 2.000Cl-     = HoCl2+
-     log_k    -0.290     #81TUR/WHI
-     delta_h  36.300     #kJ/mol        
-     # Enthalpy of formation:           -1004.902        #kJ/mol        
-     -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0
-
-1.000Ho+3     + 1.000F-     = HoF+2
-     log_k     4.330     #07LUO/BYR
-     delta_h  25.761     #kJ/mol        
-     # Enthalpy of formation:           -1016.631        #kJ/mol        
-     -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0
-
-1.000Ho+3     + 2.000F-     = HoF2+
-     log_k     6.520     #Original data from 99SCH/BYR and 04LUO/BYR
-     delta_h  21.110     #kJ/mol        #04LUO/MIL
-     # Enthalpy of formation:           -1356.632        #kJ/mol        
-     -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000Ho+3     + 1.000H4(SiO4)     = HoSiO(OH)3+2
-     log_k    -2.620     #Original data from 07THA/SIN and 96JEN/CHO1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000I-     - 1.000H2O     + 2.000H+     + 0.500O2     = I3-
-     log_k    24.820     
-     delta_h -160.886    #kJ/mol        
-     # Enthalpy of formation:           -51.463        #kJ/mol        
-     -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0
-
-2.000Cl-     + 1.000I-     - 1.000H2O     + 2.000H+     + 0.500O2     = ICl2-
-     log_k    16.190     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000I-     + 0.500O2     = IO-
-     log_k    -1.010     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000I-     + 2.000O2     = IO4-
-     log_k     6.980     
-     delta_h  -70.413    #kJ/mol        
-     # Enthalpy of formation:           -151.461        #kJ/mol        
-     -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0
-
-1.000K+     + 1.000Edta-4     = K(Edta)-3
-     log_k     1.800     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     + 1.000H+     + 1.000Nta-3     = K(HNta)-
-     log_k    10.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     - 1.000H+     + 1.000H2(PO4)-     = K(HPO4)-
-     log_k    -6.400     #97MAR/SMI
-     delta_h  31.589     #kJ/mol        #97MAR/SMI
-     # Enthalpy of formation:           -1523.151        #kJ/mol        
-     -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0
-
-1.000K+     + 1.000IO3-     = K(IO3)
-     log_k     0.020     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     + 1.000Nta-3     = K(Nta)-2
-     log_k     1.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     + 1.000Pyrophos-4     = K(Pyrophos)-3
-     log_k     2.100     #76MAR/SMI
-     delta_h   7.113     #kJ/mol        #76MAR/SMI
-     # Enthalpy of formation:           -2531.921        #kJ/mol        
-     -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0
-
-1.000K+     + 1.000Al+3     - 4.000H+     + 4.000H2O     = KAl(OH)4
-     log_k   -24.220     
-     delta_h  211.675    #kJ/mol        
-     # Enthalpy of formation:           -1722.185        #kJ/mol        #97POK/HEL2
-     -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0
-
-1.000K+     + 1.000H2(PO4)-     = KH2PO4
-     log_k     0.440     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000K+     + 1.000I-     = KI
-     log_k    -1.570     #estimation NEA87     08/2/95
-     delta_h   9.011     #kJ/mol        
-     # Enthalpy of formation:           -299.909        #kJ/mol        
-     -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0
-
-1.000K+     - 2.000H+     + 1.000H2(PO4)-     = KPO4-2
-     log_k   -18.260     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000CO3-2     = Mg(CO3)
-     log_k     2.980     #97SVE/SHO
-     delta_h   8.804     #kJ/mol        
-     # Enthalpy of formation:           -1133.426        #kJ/mol        
-     -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000Cit-3     = Mg(Cit)-
-     log_k     4.810     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000Edta-4     = Mg(Edta)-2
-     log_k    10.900     #05HUM/AND
-     delta_h  19.800     #kJ/mol        
-     # Enthalpy of formation:           -2152        #kJ/mol        
-     -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0
-
-1.000Mg+2     + 2.000H+     + 1.000Cit-3     = Mg(H2Cit)+
-     log_k    12.450     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000H2(PO4)-     = Mg(H2PO4)+
-     log_k     1.170     #81TUR/WHI
-     delta_h  13.514     #kJ/mol        #96BOU1
-     # Enthalpy of formation:           -1756.086        #kJ/mol        
-     -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0
-
-1.000Mg+2     - 1.000H+     + 1.000H4(SiO4)     = Mg(H3SiO4)+
-     log_k    -8.580     #97SVE/SHO
-     delta_h  27.114     #kJ/mol        
-     # Enthalpy of formation:           -1901.08        #kJ/mol        
-     -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0
-
-1.000Mg+2     + 1.000H+     + 1.000CO3-2     = Mg(HCO3)+
-     log_k    11.370     #95SHO/KOR
-     delta_h  -12.859    #kJ/mol        
-     # Enthalpy of formation:           -1155.089        #kJ/mol        
-     -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000H+     + 1.000Cit-3     = Mg(HCit)
-     log_k     8.960     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000H+     + 1.000Edta-4     = Mg(HEdta)-
-     log_k    15.400     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000H+     + 1.000Malonate-2     = Mg(HMalonate)+
-     log_k     7.050     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     - 1.000H+     + 1.000H2(PO4)-     = Mg(HPO4)
-     log_k    -4.300     #76SMI/MAR
-     delta_h  16.152     #kJ/mol        #76SMI/MAR
-     # Enthalpy of formation:           -1753.448        #kJ/mol        
-     -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000H+     + 1.000Succinat-2     = Mg(HSuccinat)+
-     log_k     6.720     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000IO3-     = Mg(IO3)+
-     log_k     0.700     #estimation NEA87     08/2/95 ;
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000Malonate-2     = Mg(Malonate)
-     log_k     2.860     #76KLA/OST
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000NH3     = Mg(NH3)+2
-     log_k     0.100     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -548.148        #kJ/mol        
-     -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 3.000NH3     = Mg(NH3)3+2
-     log_k    -0.300     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -710.444        #kJ/mol        
-     -analytic -3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 4.000NH3     = Mg(NH3)4+2
-     log_k    -1.000     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -791.592        #kJ/mol        
-     -analytic -1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000Nta-3     = Mg(Nta)-
-     log_k     6.790     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     - 1.000H+     + 1.000H2O     = Mg(OH)+
-     log_k   -11.680     #97SHO/SAS2
-     delta_h  62.835     #kJ/mol        
-     # Enthalpy of formation:           -689.995        #kJ/mol        
-     -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0
-
-1.000Mg+2     + 1.000Ox-2     = Mg(Ox)
-     log_k     3.560     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 2.000Ox-2     = Mg(Ox)2-2
-     log_k     5.170     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     - 2.000H+     + 1.000H2(PO4)-     = Mg(PO4)-
-     log_k   -14.710     #81TUR/WHI
-     delta_h  31.170     #kJ/mol        #96BOU1
-     # Enthalpy of formation:           -1738.43        #kJ/mol        
-     -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0
-
-1.000Mg+2     + 1.000Pyrophos-4     = Mg(Pyrophos)-2
-     log_k     7.200     #76SMI/MAR
-     delta_h  12.542     #kJ/mol        
-     # Enthalpy of formation:           -2741.352        #kJ/mol        
-     -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000S2O3-2     = Mg(S2O3)
-     log_k     1.820     #76SMI/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000SO4-2     = Mg(SO4)
-     log_k     2.230     #76SMI/MAR
-     delta_h   5.858     #kJ/mol        #76SMI/MAR
-     # Enthalpy of formation:           -1370.482        #kJ/mol        
-     -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000SeO4-2     = Mg(SeO4)
-     log_k     2.200     #05OLI/NOL
-     delta_h  -6.614     #kJ/mol        
-     # Enthalpy of formation:           -1077.114        #kJ/mol        
-     -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000Succinat-2     = Mg(Succinat)
-     log_k     2.270     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000Mg+2     - 4.000H+     + 4.000H2O     = Mg4(OH)4+4
-     log_k   -39.750     #76BAE/MES
-     delta_h  229.186    #kJ/mol        
-     # Enthalpy of formation:           -2782.134        #kJ/mol        
-     -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0
-
-1.000Mg+2     + 1.000B(OH)4-     = MgB(OH)4+
-     log_k     1.600     #97CRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000Br-     = MgBr+
-     log_k    -0.140     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 1.000Cl-     = MgCl+
-     log_k     0.350     #96BOU1
-     delta_h  -1.729     #kJ/mol        
-     # Enthalpy of formation:           -635.809        #kJ/mol        
-     -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0
-
-1.000Mg+2     + 1.000F-     = MgF+
-     log_k     1.800     #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
-     delta_h  13.389     #kJ/mol        
-     # Enthalpy of formation:           -788.961        #kJ/mol        
-     -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0
-
-1.000Mg+2     + 1.000I-     = MgI+
-     log_k     0.180     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mg+2     + 2.000I-     = MgI2
-     log_k     0.030     #estimation NEA87     08/2/95 ;
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000CO3-2     = Mn(CO3)
-     log_k     6.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000H+     + 1.000CO3-2     = Mn(HCO3)+
-     log_k    11.610     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 1.000H+     + 1.000H2(PO4)-     = Mn(HPO4)
-     log_k    -3.260     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 2.000H+     + 2.000H2(PO4)-     = Mn(HPO4)2-2
-     log_k    -9.120     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000IO3-     = Mn(IO3)+
-     log_k     0.840     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 2.000IO3-     = Mn(IO3)2
-     log_k     0.130     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000NH3     = Mn(NH3)+2
-     log_k     0.700     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 2.000NH3     = Mn(NH3)2+2
-     log_k     1.200     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000NO3-     = Mn(NO3)+
-     log_k     0.160     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 2.000NO3-     = Mn(NO3)2
-     log_k     0.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 1.000H+     + 1.000H2O     = Mn(OH)+
-     log_k   -10.590     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 2.000H+     + 2.000H2O     = Mn(OH)2
-     log_k   -22.200     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 3.000H+     + 3.000H2O     = Mn(OH)3-
-     log_k   -34.800     #95CHI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 4.000H+     + 4.000H2O     = Mn(OH)4-2
-     log_k   -48.300     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000Pyrophos-4     = Mn(Pyrophos)-2
-     log_k     6.000     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000S2O3-2     = Mn(S2O3)
-     log_k     1.900     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000SO4-2     = Mn(SO4)
-     log_k     2.250     #95CHI
-     delta_h  14.100     #kJ/mol        
-     # Enthalpy of formation:           -1115.99        #kJ/mol        
-     -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0
-
-1.000Mn+2     + 1.000Scn-     = Mn(Scn)+
-     log_k     1.400     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000SeO4-2     = Mn(SeO4)
-     log_k     2.430     #05OLI/NOL
-     delta_h  -1.282     #kJ/mol        
-     # Enthalpy of formation:           -825.582        #kJ/mol        
-     -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0
-
-1.000Mn+2     - 0.500H2O     + 1.000H+     + 0.250O2     = Mn+3
-     log_k    -4.015     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Mn+2     - 1.000H+     + 1.000H2O     = Mn2(OH)+3
-     log_k   -10.100     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Mn+2     - 3.000H+     + 3.000H2O     = Mn2(OH)3+
-     log_k   -24.900     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000Br-     = MnBr+
-     log_k     0.130     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000Cl-     = MnCl+
-     log_k     0.300     
-     delta_h  18.466     #kJ/mol        
-     # Enthalpy of formation:           -369.364        #kJ/mol        
-     -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0
-
-1.000Mn+2     + 2.000Cl-     = MnCl2
-     log_k     0.250     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 3.000Cl-     = MnCl3-
-     log_k    -0.310     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000F-     = MnF+
-     log_k     0.850     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 2.000F-     = MnF2
-     log_k     9.040     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 3.000F-     = MnF3-
-     log_k    11.640     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 4.000F-     = MnF4-2
-     log_k    13.400     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 5.000F-     = MnF5-3
-     log_k    14.700     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 6.000F-     = MnF6-4
-     log_k    15.500     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     + 1.000I-     = MnI+
-     log_k     0.230     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Mn+2     - 3.000H+     + 1.500H2O     + 1.250O2     = MnO4-
-     log_k   -20.305     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     delta_h  123.253    #kJ/mol        
-     # Enthalpy of formation:           -541.41        #kJ/mol        
-     -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0
-
-1.000Mn+2     - 4.000H+     + 2.000H2O     + 1.000O2     = MnO4-2
-     log_k   -32.420     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     delta_h  151.840    #kJ/mol        
-     # Enthalpy of formation:           -652.704        #kJ/mol        
-     -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0
-
-1.000Mn+2     - 5.000H+     + 2.500H2O     + 0.750O2     = MnO4-3
-     log_k   -48.515     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0
-
-5.000H+     + 1.000MoO4-2     - 2.500H2O     - 0.750O2     = Mo+3
-     log_k   -42.725     #68SAS/SIL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0
-
-34.000H+     + 19.000MoO4-2     - 17.000H2O     = Mo19O59-4
-     log_k   196.300     #68SAS/SIL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0
-
-5.000H+     + 2.000MoO4-2     - 2.000H2O     = Mo2O5(OH)+
-     log_k    19.000     #68SAS/SIL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
-
-11.000H+     + 7.000MoO4-2     - 4.000H2O     = Mo7O21(OH)3-3
-     log_k    66.480     #68SAS/SIL, 64AVE/ANA
-     delta_h -222.589    #kJ/mol        #68ARN/SZI in 76BAE/MES
-     # Enthalpy of formation:           -6058.269        #kJ/mol        
-     -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0
-
-10.000H+     + 7.000MoO4-2     - 4.000H2O     = Mo7O22(OH)2-4
-     log_k    62.710     #68SAS/SIL, 64AVE/ANA
-     delta_h -220.079    #kJ/mol        #68ARN/SZI in 76BAE/MES
-     # Enthalpy of formation:           -6055.759        #kJ/mol        
-     -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0
-
-9.000H+     + 7.000MoO4-2     - 4.000H2O     = Mo7O23(OH)-5
-     log_k    57.210     #68SAS/SIL, 64AVE/ANA
-     delta_h -223.426    #kJ/mol        #68ARN/SZI in 76BAE/MES
-     # Enthalpy of formation:           -6059.106        #kJ/mol        
-     -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0
-
-8.000H+     + 7.000MoO4-2     - 4.000H2O     = Mo7O24-6
-     log_k    50.350     #68SAS/SIL, 64AVE/ANA
-     delta_h -234.304    #kJ/mol        #68ARN/SZI in 76BAE/MES
-     # Enthalpy of formation:           -6069.984        #kJ/mol        
-     -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0
-
-1.000H+     + 1.000NH3     = NH4+
-     log_k     9.230     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -133.26        #kJ/mol        #92GRE/FUG
-     -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     + 1.000CO3-2     = Na(CO3)-
-     log_k     1.270     #90NOR/PLU
-     delta_h  37.279     #kJ/mol        #90NOR/PLU
-     # Enthalpy of formation:           -878.291        #kJ/mol        
-     -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0
-
-1.000Na+     + 1.000Edta-4     = Na(Edta)-3
-     log_k     2.800     #05HUM/AND
-     delta_h  -4.000     #kJ/mol        
-     # Enthalpy of formation:           -1949.14        #kJ/mol        
-     -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0
-
-1.000Na+     + 1.000H+     + 1.000CO3-2     = Na(HCO3)
-     log_k    10.080     #90NOR/PLU
-     delta_h  -26.127    #kJ/mol        
-     # Enthalpy of formation:           -941.697        #kJ/mol        
-     -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0
-
-1.000Na+     + 1.000H+     + 1.000Nta-3     = Na(HNta)-
-     log_k    10.320     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     - 1.000H+     + 1.000H2(PO4)-     = Na(HPO4)-
-     log_k    -6.340     #97MAR/SMI
-     delta_h  34.936     #kJ/mol        #97MAR/SMI
-     # Enthalpy of formation:           -1508.004        #kJ/mol        
-     -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0
-
-1.000Na+     + 1.000IO3-     = Na(IO3)
-     log_k     0.060     #estimation NEA87     08/2/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     + 1.000Nta-3     = Na(Nta)-2
-     log_k     1.880     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     + 1.000S2O3-2     = Na(S2O3)-
-     log_k     0.610     
-     delta_h   4.656     #kJ/mol        
-     # Enthalpy of formation:           -887.97        #kJ/mol        #82WAG/EVA
-     -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0
-
-2.000Na+     + 1.000Pyrophos-4     = Na2(Pyrophos)-2
-     log_k     2.290     #76SMI/MAR
-     delta_h   5.858     #kJ/mol        #76SMI/MAR
-     # Enthalpy of formation:           -2761.716        #kJ/mol        
-     -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0
-
-1.000Na+     + 1.000Al+3     - 4.000H+     + 4.000H2O     = NaAl(OH)4
-     log_k   -23.630     
-     delta_h  190.348    #kJ/mol        
-     # Enthalpy of formation:           -1731.712        #kJ/mol        #95POK/HEL
-     -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0
-
-1.000Na+     + 1.000B(OH)4-     = NaB(OH)4
-     log_k    -0.100     
-     delta_h   1.226     #kJ/mol        
-     # Enthalpy of formation:           -1584.23        #kJ/mol        
-     -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0
-
-1.000Na+     + 1.000F-     = NaF
-     log_k    -0.450     #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
-     delta_h  -12.552    #kJ/mol        
-     # Enthalpy of formation:           -588.242        #kJ/mol        
-     -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0
-
-1.000Na+     + 1.000H2(PO4)-     = NaH2PO4
-     log_k     0.410     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Na+     + 1.000I-     = NaI
-     log_k    -1.520     #estimation NEA87     08/2/95
-     delta_h   7.252     #kJ/mol        
-     # Enthalpy of formation:           -289.868        #kJ/mol        
-     -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0
-
-1.000Na+     - 2.000H+     + 1.000H2(PO4)-     = NaPO4-2
-     log_k   -18.070     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000Nb(OH)6-     - 3.000H2O     = Nb(OH)3+2
-     log_k     7.500     #97PEI/NGU
-     delta_h  -10.230    #kJ/mol        #97PEI/NGU
-     # Enthalpy of formation:           -1078.405        #kJ/mol        
-     -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0
-
-2.000H+     + 1.000Nb(OH)6-     - 2.000H2O     = Nb(OH)4+
-     log_k     6.640     #97PEI/NGU
-     delta_h  -35.350    #kJ/mol        #97PEI/NGU
-     # Enthalpy of formation:           -1389.355        #kJ/mol        
-     -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0
-
-1.000H+     + 1.000Nb(OH)6-     - 1.000H2O     = Nb(OH)5
-     log_k     5.080     #97PEI/NGU
-     delta_h  -13.390    #kJ/mol        #97PEI/NGU
-     # Enthalpy of formation:           -1653.225        #kJ/mol        
-     -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0
-
-- 1.000H+     + 1.000Nb(OH)6-     + 1.000H2O     = Nb(OH)7-2
-     log_k    -8.880     #97PEI/NGU
-     delta_h  10.170     #kJ/mol        #97PEI/NGU
-     # Enthalpy of formation:           -2201.325        #kJ/mol        
-     -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0
-
-5.000H+     + 1.000Nb(OH)6-     + 1.000Cit-3     - 4.000H2O     = NbO2(H3Cit)+
-     log_k    25.640     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000Nb(OH)6-     + 1.000Ox-2     - 4.000H2O     = NbO2(HOx)
-     log_k    13.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000H+     + 1.000Nb(OH)6-     + 2.000Ox-2     - 4.000H2O     = NbO2(HOx)2-
-     log_k    20.960     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 1.000Nb(OH)6-     + 1.000Ox-2     - 4.000H2O     = NbO2(Ox)-
-     log_k    10.940     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Acetate-     = Ni(Acetate)+
-     log_k     1.340     #11RIC/GRI
-     delta_h  -28.257    #kJ/mol        
-     # Enthalpy of formation:           -569.279        #kJ/mol        
-     -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0
-
-1.000Ni+2     + 1.000CO3-2     = Ni(CO3)
-     log_k     4.200     #03BAE/BRA in 05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000CO3-2     = Ni(CO3)2-2
-     log_k     6.200     #03BAE/BRA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Cit-3     = Ni(Cit)-
-     log_k     6.760     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000Cit-3     = Ni(Cit)2-4
-     log_k     8.500     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 4.000Cn-     = Ni(Cn)4-2
-     log_k    30.200     
-     delta_h -180.700    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           353.688        #kJ/mol        
-     -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0
-
-1.000Ni+2     + 5.000Cn-     = Ni(Cn)5-3
-     log_k    28.500     
-     delta_h -191.100    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           490.638        #kJ/mol        
-     -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0
-
-1.000Ni+2     + 1.000Edta-4     = Ni(Edta)-2
-     log_k    20.540     #05HUM/AND
-     delta_h  -26.100    #kJ/mol        
-     # Enthalpy of formation:           -1785.912        #kJ/mol        
-     -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0
-
-1.000Ni+2     + 2.000H+     + 1.000Cit-3     = Ni(H2Cit)+
-     log_k    13.190     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000CO3-2     = Ni(HCO3)+
-     log_k    11.730     #03BAE/BRA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000Cit-3     = Ni(HCit)
-     log_k    10.520     #05HUM/BER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000Edta-4     = Ni(HEdta)-
-     log_k    24.200     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000HIsa-     = Ni(HIsa)+
-     log_k     2.800     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     - 1.000H+     + 1.000H2(PO4)-     = Ni(HPO4)
-     log_k    -4.160     #05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000HS-     = Ni(HS)2
-     log_k    11.100     #02HUM/BER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Malonate-2     = Ni(Malonate)
-     log_k     4.390     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000Malonate-2     = Ni(Malonate)2-2
-     log_k     8.150     #98KHA/RAD
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000NH3     = Ni(NH3)+2
-     log_k     2.610     #70LET
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000NH3     = Ni(NH3)2+2
-     log_k     4.760     #70LET
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 3.000NH3     = Ni(NH3)3+2
-     log_k     6.790     #70LET
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 4.000NH3     = Ni(NH3)4+2
-     log_k     8.340     #70LET
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000NO3-     = Ni(NO3)+
-     log_k     0.500     #05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000NO3-     = Ni(NO3)2
-     log_k    -0.600     #76SMI/MAR in 89BAE/McK
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Nta-3     = Ni(Nta)-
-     log_k    12.750     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000Nta-3     = Ni(Nta)2-4
-     log_k    16.950     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = Ni(OH)(Nta)-2
-     log_k     1.470     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     - 1.000H+     + 1.000H2O     = Ni(OH)+
-     log_k    -9.540     #05GAM/BUG
-     delta_h  53.800     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -287.042        #kJ/mol        
-     -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0
-
-1.000Ni+2     - 2.000H+     + 2.000H2O     = Ni(OH)2
-     log_k   -18.000     #49GAY/GAR reevaluated in 05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     - 3.000H+     + 1.000H2(PO4)-     + 2.000H2O     = Ni(OH)2(HPO4)-2
-     log_k   -23.240     #95LEM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000HIsa-     + 3.000H2O     - 3.000H+     = Ni(OH)3(HIsa)-2
-     log_k   -26.500     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     - 3.000H+     + 3.000H2O     = Ni(OH)3-
-     log_k   -29.380     #49GAY/GAR reevaluated in 05GAM/BUG
-     delta_h  121.200    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -791.302        #kJ/mol        
-     -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0
-
-1.000Ni+2     + 1.000Ox-2     = Ni(Ox)
-     log_k     5.190     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -885.672        #kJ/mol        
-     -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000Ox-2     = Ni(Ox)2-2
-     log_k     7.640     #05HUM/AND
-     delta_h  -7.800     #kJ/mol        
-     # Enthalpy of formation:           -1724.132        #kJ/mol        
-     -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0
-
-1.000Ni+2     + 1.000Phthalat-2     = Ni(Phthalat)
-     log_k     3.000     #11GRI/COL3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Pyrophos-4     = Ni(Pyrophos)-2
-     log_k     8.730     #05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000S2O3-2     = Ni(S2O3)
-     log_k     2.060     #51DEU/HEI in 64SIL/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000SO4-2     = Ni(SO4)
-     log_k     2.350     #05GAM/BUG
-     delta_h   5.660     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -958.692        #kJ/mol        
-     -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0
-
-1.000Ni+2     + 2.000SO4-2     = Ni(SO4)2-2
-     log_k     3.010     #89BAE/McK
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000Scn-     = Ni(Scn)+
-     log_k     1.810     
-     delta_h  -11.800    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           9.588        #kJ/mol        
-     -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0
-
-1.000Ni+2     + 2.000Scn-     = Ni(Scn)2
-     log_k     2.690     
-     delta_h  -21.000    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           76.788        #kJ/mol        
-     -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0
-
-1.000Ni+2     + 3.000Scn-     = Ni(Scn)3-
-     log_k     3.020     
-     delta_h  -29.000    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           145.188        #kJ/mol        
-     -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2     = Ni(SeCn)+
-     log_k    57.790     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 2.000H+     + 2.000Cn-     + 2.000HSe-     - 2.000H2O     + 1.000O2     = Ni(SeCn)2
-     log_k   114.270     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000SeO4-2     = Ni(SeO4)
-     log_k     2.670     #05OLI/NOL
-     delta_h  -0.675     #kJ/mol        
-     # Enthalpy of formation:           -659.187        #kJ/mol        
-     -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0
-
-2.000Ni+2     - 1.000H+     + 1.000H2O     = Ni2(OH)+3
-     log_k   -10.600     #05GAM/BUG
-     delta_h  45.900     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -349.954        #kJ/mol        
-     -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0
-
-4.000Ni+2     - 4.000H+     + 4.000H2O     = Ni4(OH)4+4
-     log_k   -27.520     #05GAM/BUG
-     delta_h  190.000    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -1173.368        #kJ/mol        
-     -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0
-
-1.000Ni+2     + 1.000Cl-     = NiCl+
-     log_k     0.080     #05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000F-     = NiF+
-     log_k     1.430     #05GAM/BUG
-     delta_h   9.500     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -380.862        #kJ/mol        
-     -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000AsO4-3     = NiHAsO4
-     log_k    14.500     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000H+     + 1.000Pyrophos-4     = NiHPyrophos-
-     log_k    14.540     #05GAM/BUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Ni+2     + 1.000HS-     = NiHS+
-     log_k     5.500     #02HUM/BER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000Acetate-     = Np(Acetate)+3
-     log_k     5.830     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 2.000Acetate-     = Np(Acetate)2+2
-     log_k    10.000     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 3.000H+     + 1.000CO3-2     + 3.000H2O     = Np(CO3)(OH)3-
-     log_k     3.820     #93ERI/NDA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     + 1.000CO3-2     = Np(CO3)+
-     log_k     7.670     #Estimated by correlation with An(III) in function of ionic radii
-     delta_h  156.370    #kJ/mol        
-     # Enthalpy of formation:           -1046.044        #kJ/mol        
-     -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0
-
-1.000Np+3     + 2.000CO3-2     = Np(CO3)2-
-     log_k    12.600     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     + 3.000CO3-2     = Np(CO3)3-3
-     log_k    15.660     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 4.000CO3-2     = Np(CO3)4-4
-     log_k    36.680     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 5.000CO3-2     = Np(CO3)5-6
-     log_k    35.610     #01LEM/FUG
-     delta_h  -1.612     #kJ/mol        
-     # Enthalpy of formation:           -3933.784        #kJ/mol        
-     -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0
-
-1.000Np+4     + 1.000Edta-4     = Np(Edta)
-     log_k    31.200     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     + 1.000Edta-4     = Np(Edta)-
-     log_k    19.900     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 2.000H+     + 2.000H2(PO4)-     = Np(HPO4)2-
-     log_k    -5.380     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000NO3-     = Np(NO3)+3
-     log_k     1.900     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     + 1.000Nta-3     = Np(Nta)
-     log_k    13.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000Nta-3     = Np(Nta)+
-     log_k    20.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 2.000Nta-3     = Np(Nta)2-2
-     log_k    36.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 1.000H+     + 1.000H2O     = Np(OH)+2
-     log_k    -6.800     #01LEM/FUG
-     delta_h  77.089     #kJ/mol        
-     # Enthalpy of formation:           -735.925        #kJ/mol        
-     -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0
-
-1.000Np+4     - 1.000H+     + 1.000H2O     = Np(OH)+3
-     log_k     0.550     #03GUI/FAN
-     delta_h  38.192     #kJ/mol        
-     # Enthalpy of formation:           -803.66        #kJ/mol        
-     -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0
-
-1.000Np+4     - 2.000H+     + 2.000CO3-2     + 2.000H2O     = Np(OH)2(CO3)2-2
-     log_k    15.170     #99RAI/HES2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 2.000H+     + 2.000H2O     = Np(OH)2+
-     log_k   -17.000     #80ALL/KIP
-     delta_h  155.529    #kJ/mol        
-     # Enthalpy of formation:           -943.315        #kJ/mol        
-     -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0
-
-1.000Np+4     - 2.000H+     + 2.000H2O     = Np(OH)2+2
-     log_k     0.350     #03GUI/FAN
-     delta_h  54.530     #kJ/mol        
-     # Enthalpy of formation:           -1073.152        #kJ/mol        
-     -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0
-
-1.000Np+3     - 3.000H+     + 3.000H2O     = Np(OH)3
-     log_k   -27.000     #80ALL/KIP
-     delta_h  235.824    #kJ/mol        
-     # Enthalpy of formation:           -1148.85        #kJ/mol        
-     -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0
-
-1.000Np+4     - 3.000H+     + 1.000HGlu-     + 3.000H2O     = Np(OH)3(HGlu)
-     log_k     3.270     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 3.000H+     + 1.000HIsa-     + 3.000H2O     = Np(OH)3(HIsa)
-     log_k     3.270     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 3.000H+     + 2.000HIsa-     + 3.000H2O     = Np(OH)3(HIsa)2-
-     log_k     5.380     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 3.000H+     + 3.000H2O     = Np(OH)3+
-     log_k    -2.800     #01NEC/KIM, 99NEC
-     delta_h  74.932     #kJ/mol        
-     # Enthalpy of formation:           -1338.58        #kJ/mol        
-     -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0
-
-1.000Np+4     - 4.000H+     + 4.000H2O     = Np(OH)4
-     log_k    -8.300     #03GUI/FAN
-     delta_h  101.442    #kJ/mol        
-     # Enthalpy of formation:           -1597.9        #kJ/mol        
-     -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0
-
-1.000Np+4     - 4.000H+     + 1.000CO3-2     + 4.000H2O     = Np(OH)4(CO3)-2
-     log_k    -6.830     #93ERI/NDA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 4.000H+     + 1.000HGlu-     + 4.000H2O     = Np(OH)4(HGlu)-
-     log_k    -3.700     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = Np(OH)4(HIsa)-
-     log_k    -4.060     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     - 4.000H+     + 2.000HIsa-     + 4.000H2O     = Np(OH)4(HIsa)2-2
-     log_k    -2.200     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000Ox-2     = Np(Ox)+2
-     log_k    11.160     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 2.000Ox-2     = Np(Ox)2
-     log_k    19.940     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 3.000Ox-2     = Np(Ox)3-2
-     log_k    25.190     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 4.000H+     + 2.000H2(PO4)-     = Np(PO4)2-3
-     log_k   -19.570     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     + 1.000SO4-2     = Np(SO4)+
-     log_k     3.860     #Estimated by correlation with An(III) in function of ionic radii
-     delta_h  17.889     #kJ/mol        
-     # Enthalpy of formation:           -1418.638        #kJ/mol        
-     -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0
-
-1.000Np+4     + 1.000SO4-2     = Np(SO4)+2
-     log_k     6.850     #01LEM/FUG
-     delta_h  29.840     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1435.522        #kJ/mol        #01LEM/FUG
-     -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0
-
-1.000Np+4     + 2.000SO4-2     = Np(SO4)2
-     log_k    11.050     #01LEM/FUG
-     delta_h  55.380     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -2319.322        #kJ/mol        
-     -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0
-
-1.000Np+3     + 2.000SO4-2     = Np(SO4)2-
-     log_k     5.560     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000Br-     = NpBr+3
-     log_k     1.550     #Estimated by correlation with An(IV) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000Cl-     = NpCl+3
-     log_k     1.500     #01LEM/FUG
-     delta_h  24.173     #kJ/mol        
-     # Enthalpy of formation:           -698.929        #kJ/mol        
-     -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0
-
-1.000Np+4     + 1.000F-     = NpF+3
-     log_k     8.960     #01LEM/FUG
-     delta_h   1.500     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -889.872        #kJ/mol        
-     -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0
-
-1.000Np+4     + 2.000F-     = NpF2+2
-     log_k    15.700     #01LEM/FUG
-     delta_h  15.930     #kJ/mol        
-     # Enthalpy of formation:           -1210.792        #kJ/mol        
-     -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0
-
-1.000Np+4     + 3.000F-     = NpF3+
-     log_k    20.050     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 4.000F-     = NpF4
-     log_k    25.950     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 1.000H+     + 1.000H2(PO4)-     = NpHPO4+
-     log_k    -1.780     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+4     + 1.000I-     = NpI+3
-     log_k     1.500     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000Acetate-     = NpO2(Acetate)
-     log_k     1.320     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 2.000Acetate-     = NpO2(Acetate)2-
-     log_k     3.420     #09TAK/TAK
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 3.000Acetate-     = NpO2(Acetate)3-2
-     log_k     3.570     #09TAK/TAK
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     + 1.000CO3-2     = NpO2(CO3)
-     log_k     9.320     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     - 2.000H+     + 1.000CO3-2     + 2.000H2O     = NpO2(CO3)(OH)2-2
-     log_k    -7.690     #99CHO/BRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000CO3-2     = NpO2(CO3)-
-     log_k     4.960     #01LEM/FUG
-     delta_h  59.904     #kJ/mol        
-     # Enthalpy of formation:           -1593.507        #kJ/mol        
-     -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0
-
-1.000NpO2+2     + 2.000CO3-2     = NpO2(CO3)2-2
-     log_k    16.520     #01LEM/FUG
-     delta_h  13.776     #kJ/mol        
-     # Enthalpy of formation:           -2197.417        #kJ/mol        
-     -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0
-
-1.000NpO2+     + 2.000CO3-2     = NpO2(CO3)2-3
-     log_k     6.530     #01LEM/FUG
-     delta_h  39.027     #kJ/mol        
-     # Enthalpy of formation:           -2289.614        #kJ/mol        
-     -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0
-
-1.000NpO2+     - 1.000H+     + 2.000CO3-2     + 1.000H2O     = NpO2(CO3)2OH-4
-     log_k    -5.310     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     + 3.000CO3-2     = NpO2(CO3)3-4
-     log_k    19.370     
-     delta_h  -41.900    #kJ/mol        
-     # Enthalpy of formation:           -2928.323        #kJ/mol        #01LEM/FUG
-     -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0
-
-1.000NpO2+     + 3.000CO3-2     = NpO2(CO3)3-5
-     log_k     5.500     
-     delta_h  -13.249    #kJ/mol        
-     # Enthalpy of formation:           -3017.12        #kJ/mol        #01LEM/FUG
-     -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0
-
-1.000NpO2+     + 1.000Cit-3     = NpO2(Cit)-2
-     log_k     3.680     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000Edta-4     = NpO2(Edta)-3
-     log_k     9.230     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 2.000H+     + 1.000Edta-4     = NpO2(H2Edta)-
-     log_k    22.510     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000H+     + 1.000Edta-4     = NpO2(HEdta)-2
-     log_k    17.060     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000H+     + 1.000Nta-3     = NpO2(HNta)-
-     log_k    11.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     - 1.000H+     + 1.000H2(PO4)-     = NpO2(HPO4)
-     log_k    -1.010     #01LEM/FUG
-     delta_h  92.209     #kJ/mol        
-     # Enthalpy of formation:           -2071.124        #kJ/mol        
-     -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0
-
-1.000NpO2+2     - 2.000H+     + 2.000H2(PO4)-     = NpO2(HPO4)2-2
-     log_k    -4.920     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     + 1.000NO3-     = NpO2(NO3)+
-     log_k     0.100     #12GRI/GAR2 in analogy to UO2(NO3)+
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     + 1.000Nta-3     = NpO2(Nta)-
-     log_k    11.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 1.000Nta-3     = NpO2(Nta)-2
-     log_k     7.460     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     - 1.000H+     + 1.000H2O     = NpO2(OH)
-     log_k   -11.300     #01LEM/FUG
-     delta_h  64.785     #kJ/mol        
-     # Enthalpy of formation:           -1199.226        #kJ/mol        
-     -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0
-
-1.000NpO2+     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = NpO2(OH)(Nta)-3
-     log_k    -4.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     - 1.000H+     + 1.000H2O     = NpO2(OH)+
-     log_k    -5.100     #01LEM/FUG
-     delta_h  42.957     #kJ/mol        
-     # Enthalpy of formation:           -1103.606        #kJ/mol        
-     -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0
-
-1.000NpO2+2     - 2.000H+     + 2.000H2O     = NpO2(OH)2
-     log_k   -12.210     #Estimated by correlation with An(VI) in funciton of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     - 2.000H+     + 2.000H2O     = NpO2(OH)2-
-     log_k   -23.600     #01LEM/FUG
-     delta_h  118.610    #kJ/mol        
-     # Enthalpy of formation:           -1431.23        #kJ/mol        
-     -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0
-
-1.000NpO2+     + 1.000Ox-2     = NpO2(Ox)-
-     log_k     3.900     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     + 2.000Ox-2     = NpO2(Ox)2-3
-     log_k     5.800     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+2     + 1.000SO4-2     = NpO2(SO4)
-     log_k     3.280     #01LEM/FUG
-     delta_h  16.700     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1753.373        #kJ/mol        
-     -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0
-
-1.000NpO2+     + 1.000SO4-2     = NpO2(SO4)-
-     log_k     0.440     #01LEM/FUG
-     delta_h  23.200     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1864.321        #kJ/mol        
-     -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0
-
-1.000NpO2+2     + 2.000SO4-2     = NpO2(SO4)2-2
-     log_k     4.700     #01LEM/FUG
-     delta_h  26.000     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -2653.413        #kJ/mol        
-     -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0
-
-1.000NpO2+     + 1.000Cl-     = NpO2Cl
-     log_k    -0.930     #94NEC/KIM
-     delta_h  25.972     #kJ/mol        
-     # Enthalpy of formation:           -1119.289        #kJ/mol        
-     -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0
-
-1.000NpO2+2     + 1.000Cl-     = NpO2Cl+
-     log_k     0.400     #01LEM/FUG
-     delta_h   8.387     #kJ/mol        
-     # Enthalpy of formation:           -1019.426        #kJ/mol        
-     -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0
-
-1.000NpO2+     + 1.000F-     = NpO2F
-     log_k     1.200     #01LEM/FUG
-     delta_h  40.768     #kJ/mol        
-     # Enthalpy of formation:           -1272.763        #kJ/mol        
-     -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0
-
-1.000NpO2+2     + 1.000F-     = NpO2F+
-     log_k     4.570     #01LEM/FUG
-     delta_h   1.400     #kJ/mol        
-     # Enthalpy of formation:           -1194.683        #kJ/mol        
-     -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0
-
-1.000NpO2+2     + 2.000F-     = NpO2F2
-     log_k     7.600     #01LEM/FUG
-     delta_h   4.321     #kJ/mol        
-     # Enthalpy of formation:           -1527.112        #kJ/mol        
-     -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0
-
-1.000NpO2+2     + 1.000H2(PO4)-     = NpO2H2PO4+
-     log_k     3.320     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000NpO2+     - 1.000H+     + 1.000H2(PO4)-     = NpO2HPO4-
-     log_k    -4.260     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Np+3     - 2.000H+     + 1.000H2(PO4)-     = NpPO4
-     log_k    -7.830     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000H2O     = OH-
-     log_k   -14.000     
-     delta_h  55.815     #kJ/mol        
-     # Enthalpy of formation:           -230.015        #kJ/mol        #89COX/WAG
-     -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000H2(PO4)-     = PO4-3
-     log_k   -19.560     #89COX/WAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1284.4        #kJ/mol        #89COX/WAG
-     -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Pa+4     + 1.000H2O     = Pa(OH)+3
-     log_k     0.840     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000Pa+4     + 2.000H2O     = Pa(OH)2+2
-     log_k    -0.020     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2E-2 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+     + 1.000Pa+4     + 3.000H2O     = Pa(OH)3+
-     log_k    -1.500     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000PaO2+     = PaO(OH)+2
-     log_k     1.250     #Original data 03TRU/LEN and 04FOU/PER
-     delta_h  -5.700     #kJ/mol        #03TRU/LEN
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0
-
-2.000H+     + 1.000SO4-2     + 1.000PaO2+     - 1.000H2O     = PaO(SO4)+
-     log_k     5.130     #07GIA/TRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 2.000SO4-2     + 1.000PaO2+     - 1.000H2O     = PaO(SO4)2-
-     log_k     8.240     #07GIA/TRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 3.000SO4-2     + 1.000PaO2+     - 1.000H2O     = PaO(SO4)3-3
-     log_k     9.830     #07GIA/TRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000PaO2+     + 1.000H2O     = PaO2(OH)
-     log_k    -7.000     #Original data 03TRU/LEN and 04FOU/PER
-     delta_h  61.000     #kJ/mol        #03TRU/LEN
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000PaO2+     + 2.000H2O     = PaO2(OH)2-
-     log_k   -16.400     #04FOU/PER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 1.000B(OH)4-     = Pb(B(OH)4)+
-     log_k     5.200     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 3.000B(OH)4-     = Pb(B(OH)4)3-
-     log_k    11.180     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 1.000CO3-2     = Pb(CO3)
-     log_k     7.000     #06BLA/PIA
-     delta_h  -3.015     #kJ/mol        
-     # Enthalpy of formation:           -677.325        #kJ/mol        
-     -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000CO3-2     = Pb(CO3)2-2
-     log_k    10.130     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 1.000H2(PO4)-     = Pb(H2PO4)+
-     log_k     1.500     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 2.000HS-     = Pb(HS)2
-     log_k    15.010     #06BLA/PIA
-     delta_h  -65.579    #kJ/mol        
-     # Enthalpy of formation:           -97.259        #kJ/mol        
-     -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0
-
-1.000Pb+2     + 3.000HS-     = Pb(HS)3-
-     log_k    16.260     #06BLA/PIA
-     delta_h  -73.328    #kJ/mol        
-     # Enthalpy of formation:           -121.308        #kJ/mol        
-     -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0
-
-1.000Pb+2     + 1.000NO3-     = Pb(NO3)+
-     log_k     1.060     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 2.000NO3-     = Pb(NO3)2
-     log_k     1.480     #99LOT/OCH
-     delta_h  -11.012    #kJ/mol        
-     # Enthalpy of formation:           401.768        #kJ/mol        
-     -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0
-
-1.000Pb+2     - 1.000H+     + 1.000H2O     = Pb(OH)+
-     log_k    -7.510     #99LOT/OCH
-     delta_h  53.920     #kJ/mol        
-     # Enthalpy of formation:           -230.99        #kJ/mol        
-     -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0
-
-1.000Pb+2     - 2.000H+     + 2.000H2O     = Pb(OH)2
-     log_k   -16.950     #99LOT/OCH
-     delta_h  97.824     #kJ/mol        
-     # Enthalpy of formation:           -472.916        #kJ/mol        
-     -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0
-
-1.000Pb+2     - 3.000H+     + 3.000H2O     = Pb(OH)3-
-     log_k   -27.200     #01PER/HEF
-     delta_h  130.485    #kJ/mol        
-     # Enthalpy of formation:           -726.085        #kJ/mol        
-     -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0
-
-1.000Pb+2     - 4.000H+     + 4.000H2O     = Pb(OH)4-2
-     log_k   -38.900     #01PER/HEF
-     delta_h  197.474    #kJ/mol        
-     # Enthalpy of formation:           -944.926        #kJ/mol        
-     -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0
-
-1.000Pb+2     + 1.000SO4-2     = Pb(SO4)
-     log_k     2.820     #99LOT/OCH
-     delta_h   6.861     #kJ/mol        
-     # Enthalpy of formation:           -901.559        #kJ/mol        
-     -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000SO4-2     = Pb(SO4)2-2
-     log_k     3.470     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 1.000SeO3-2     = Pb(SeO3)
-     log_k     5.730     #01SEB/POT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Pb+2     - 1.000H+     + 1.000H2O     = Pb2(OH)+3
-     log_k    -7.180     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000Pb+2     - 4.000H+     + 4.000H2O     = Pb4(OH)4+4
-     log_k   -20.630     #99LOT/OCH
-     delta_h  82.038     #kJ/mol        
-     # Enthalpy of formation:           -1057.602        #kJ/mol        
-     -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0
-
-6.000Pb+2     - 8.000H+     + 8.000H2O     = Pb6(OH)8+4
-     log_k   -42.680     #99LOT/OCH
-     delta_h  192.157    #kJ/mol        
-     # Enthalpy of formation:           -2088.963        #kJ/mol        
-     -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0
-
-1.000Pb+2     + 1.000Br-     = PbBr+
-     log_k     1.700     #82HÖG
-     delta_h   4.228     #kJ/mol        
-     # Enthalpy of formation:           -116.262        #kJ/mol        
-     -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000Br-     = PbBr2
-     log_k     1.900     #82HÖG
-     delta_h  10.991     #kJ/mol        
-     # Enthalpy of formation:           -230.909        #kJ/mol        
-     -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0
-
-1.000Pb+2     + 3.000Br-     = PbBr3-
-     log_k     2.900     #82HÖG
-     delta_h  10.653     #kJ/mol        
-     # Enthalpy of formation:           -352.657        #kJ/mol        
-     -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0
-
-1.000Pb+2     + 1.000Cl-     = PbCl+
-     log_k     1.440     #97SVE/SHO
-     delta_h   4.318     #kJ/mol        
-     # Enthalpy of formation:           -161.842        #kJ/mol        
-     -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000Cl-     = PbCl2
-     log_k     2.000     #97SVE/SHO
-     delta_h   7.949     #kJ/mol        
-     # Enthalpy of formation:           -325.291        #kJ/mol        
-     -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0
-
-1.000Pb+2     + 3.000Cl-     = PbCl3-
-     log_k     1.690     #97SVE/SHO
-     delta_h   7.813     #kJ/mol        
-     # Enthalpy of formation:           -492.507        #kJ/mol        
-     -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0
-
-1.000Pb+2     + 4.000Cl-     = PbCl4-2
-     log_k     1.400     #97SVE/SHO
-     delta_h   1.323     #kJ/mol        
-     # Enthalpy of formation:           -666.077        #kJ/mol        
-     -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0
-
-1.000Pb+2     + 1.000F-     = PbF+
-     log_k     2.270     #99LOT/OCH
-     delta_h  -4.054     #kJ/mol        
-     # Enthalpy of formation:           -338.484        #kJ/mol        
-     -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000F-     = PbF2
-     log_k     3.010     #99LOT/OCH
-     delta_h  -8.881     #kJ/mol        
-     # Enthalpy of formation:           -678.661        #kJ/mol        
-     -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0
-
-1.000Pb+2     - 1.000H+     + 1.000H2(PO4)-     = PbHPO4
-     log_k    -4.110     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pb+2     + 1.000I-     = PbI+
-     log_k     1.980     #82HÖG
-     delta_h   3.874     #kJ/mol        
-     # Enthalpy of formation:           -51.986        #kJ/mol        
-     -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0
-
-1.000Pb+2     + 2.000I-     = PbI2
-     log_k     3.150     #82HÖG
-     delta_h   7.106     #kJ/mol        
-     # Enthalpy of formation:           -105.534        #kJ/mol        
-     -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0
-
-1.000Pb+2     + 3.000I-     = PbI3-
-     log_k     3.810     #82HÖG
-     delta_h   3.163     #kJ/mol        
-     # Enthalpy of formation:           -166.257        #kJ/mol        
-     -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0
-
-1.000Pb+2     + 4.000I-     = PbI4-2
-     log_k     3.750     #82HÖG
-     delta_h  -15.561    #kJ/mol        
-     # Enthalpy of formation:           -241.761        #kJ/mol        
-     -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0
-
-1.000Pb+2     + 1.000Pyrophos-4     = PbPyrophos-2
-     log_k     8.330     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 1.000CO3-2     = Pd(CO3)
-     log_k     6.830     #87BRO/WAN
-     delta_h  -8.829     #kJ/mol        
-     # Enthalpy of formation:           -494.175        #kJ/mol        
-     -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0
-
-1.000Pd+2     + 2.000CO3-2     = Pd(CO3)2-2
-     log_k    12.530     #87BRO/WAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 1.000NH3     = Pd(NH3)+2
-     log_k     9.600     #68RAS/JOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 2.000NH3     = Pd(NH3)2+2
-     log_k    18.500     #68RAS/JOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 3.000NH3     = Pd(NH3)3+2
-     log_k    26.000     #68RAS/JOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 4.000NH3     = Pd(NH3)4+2
-     log_k    32.800     #68RAS/JOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Pd+2     + 1.000H2O     = Pd(OH)+
-     log_k    -1.860     #70NAB/KAL
-     delta_h  11.900     #kJ/mol        
-     # Enthalpy of formation:           -84.047        #kJ/mol        
-     -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0
-
-- 2.000H+     + 1.000Pd+2     + 2.000H2O     = Pd(OH)2
-     log_k    -3.790     #70NAB/KAL
-     delta_h  15.293     #kJ/mol        
-     # Enthalpy of formation:           -366.483        #kJ/mol        
-     -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0
-
-- 3.000H+     + 1.000Pd+2     + 3.000H2O     = Pd(OH)3-
-     log_k   -15.930     #70NAB/KAL
-     delta_h  54.863     #kJ/mol        
-     # Enthalpy of formation:           -612.744        #kJ/mol        
-     -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0
-
-- 4.000H+     + 1.000Pd+2     + 4.000H2O     = Pd(OH)4-2
-     log_k   -29.360     #70NAB/KAL
-     delta_h  118.563    #kJ/mol        
-     # Enthalpy of formation:           -834.874        #kJ/mol        
-     -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0
-
-1.000Pd+2     + 1.000SO4-2     = Pd(SO4)
-     log_k     2.910     #87BRO/WAN
-     delta_h   4.596     #kJ/mol        
-     # Enthalpy of formation:           -714.86        #kJ/mol        
-     -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0
-
-1.000Pd+2     + 2.000SO4-2     = Pd(SO4)2-2
-     log_k     4.170     #82HOG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 1.000Br-     = PdBr+
-     log_k     5.770     #72ELD
-     delta_h  -30.140    #kJ/mol        
-     # Enthalpy of formation:           38.344        #kJ/mol        
-     -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0
-
-1.000Pd+2     + 2.000Br-     = PdBr2
-     log_k    10.060     #72ELD
-     delta_h  -57.708    #kJ/mol        
-     # Enthalpy of formation:           -110.645        #kJ/mol        
-     -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0
-
-1.000Pd+2     + 3.000Br-     = PdBr3-
-     log_k    13.750     #72ELD
-     delta_h  -92.385    #kJ/mol        
-     # Enthalpy of formation:           -266.731        #kJ/mol        
-     -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0
-
-1.000Pd+2     + 4.000Br-     = PdBr4-2
-     log_k    15.110     #72ELD
-     delta_h -126.683    #kJ/mol        
-     # Enthalpy of formation:           -422.439        #kJ/mol        
-     -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0
-
-1.000Pd+2     + 1.000Cl-     = PdCl+
-     log_k     5.100     #99LOT/OCH
-     delta_h  -24.542    #kJ/mol        
-     # Enthalpy of formation:           -1.739        #kJ/mol        
-     -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0
-
-1.000Pd+2     + 2.000Cl-     = PdCl2
-     log_k     8.300     #99LOT/OCH
-     delta_h  -47.297    #kJ/mol        
-     # Enthalpy of formation:           -191.573        #kJ/mol        
-     -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000Pd+2     + 3.000Cl-     + 1.000H2O     = PdCl3(OH)-2
-     log_k     2.310     #00BYR/YAO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pd+2     + 3.000Cl-     = PdCl3-
-     log_k    10.900     #99LOT/OCH
-     delta_h  -77.344    #kJ/mol        
-     # Enthalpy of formation:           -388.7        #kJ/mol        
-     -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0
-
-1.000Pd+2     + 4.000Cl-     = PdCl4-2
-     log_k    11.700     #99LOT/OCH
-     delta_h -112.469    #kJ/mol        
-     # Enthalpy of formation:           -590.906        #kJ/mol        
-     -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0
-
-1.000Pd+2     + 1.000I-     = PdI+
-     log_k    10.400     #89BAE/McK
-     delta_h  -58.201    #kJ/mol        
-     # Enthalpy of formation:           74.902        #kJ/mol        
-     -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0
-
-1.000Pd+2     + 2.000I-     = PdI2
-     log_k    14.500     #97BOU
-     delta_h  -83.420    #kJ/mol        
-     # Enthalpy of formation:           -7.096        #kJ/mol        
-     -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0
-
-1.000Pd+2     + 3.000I-     = PdI3-
-     log_k    18.600     #97BOU
-     delta_h -121.750    #kJ/mol        
-     # Enthalpy of formation:           -102.207        #kJ/mol        
-     -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0
-
-1.000Pd+2     + 4.000I-     = PdI4-2
-     log_k    24.640     
-     delta_h -190.052    #kJ/mol        
-     # Enthalpy of formation:           -227.288        #kJ/mol        
-     -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0
-
-1.000Pu+3     + 1.000Acetate-     = Pu(Acetate)+2
-     log_k     2.850     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000Acetate-     = Pu(Acetate)+3
-     log_k     5.930     #62SCH/NEB
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 2.000Acetate-     = Pu(Acetate)2+
-     log_k     5.060     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 2.000Acetate-     = Pu(Acetate)2+2
-     log_k    10.090     #62SCH/NEB
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 3.000Acetate-     = Pu(Acetate)3
-     log_k     6.570     #69MOS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000CO3-2     = Pu(CO3)+
-     log_k     7.640     #Estimated by correlation with An(III) in function of ionic radii
-     delta_h  152.754    #kJ/mol        
-     # Enthalpy of formation:           -1114.266        #kJ/mol        
-     -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0
-
-1.000Pu+4     - 2.000H+     + 2.000CO3-2     + 2.000H2O     = Pu(CO3)2(OH)2-2
-     log_k    16.760     #99RAI/HES1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 2.000CO3-2     = Pu(CO3)2-
-     log_k    12.540     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 3.000CO3-2     = Pu(CO3)3-3
-     log_k    16.400     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 4.000CO3-2     = Pu(CO3)4-4
-     log_k    37.000     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 5.000CO3-2     = Pu(CO3)5-6
-     log_k    35.650     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000Edta-4     = Pu(Edta)
-     log_k    31.800     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000Edta-4     = Pu(Edta)-
-     log_k    20.180     #05HUM/AND
-     delta_h  -8.700     #kJ/mol        
-     # Enthalpy of formation:           -2305.29        #kJ/mol        
-     -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0
-
-1.000Pu+3     + 1.000H2(PO4)-     = Pu(H2PO4)+2
-     log_k     2.200     #10RAI/MOO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000H+     + 1.000Edta-4     = Pu(HEdta)
-     log_k    22.020     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     - 1.000H+     + 1.000H2(PO4)-     = Pu(HPO4)+
-     log_k    -1.820     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     - 2.000H+     + 2.000H2(PO4)-     = Pu(HPO4)2-
-     log_k    -5.460     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000NO3-     = Pu(NO3)+2
-     log_k     1.330     #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000NO3-     = Pu(NO3)+3
-     log_k     1.950     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000Nta-3     = Pu(Nta)
-     log_k    13.100     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000Nta-3     = Pu(Nta)+
-     log_k    21.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     - 1.000H+     + 1.000H2O     = Pu(OH)+2
-     log_k    -6.900     #01LEM/FUG
-     delta_h  78.274     #kJ/mol        
-     # Enthalpy of formation:           -799.346        #kJ/mol        
-     -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0
-
-1.000Pu+4     - 1.000H+     + 1.000H2O     = Pu(OH)+3
-     log_k     0.600     #99NEC, 01NEC/KIM, 03GUI/FAN
-     delta_h  36.000     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -789.725        #kJ/mol        
-     -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0
-
-1.000Pu+3     - 2.000H+     + 2.000H2O     = Pu(OH)2+
-     log_k   -15.900     #80ALL/KIP
-     delta_h  150.342    #kJ/mol        
-     # Enthalpy of formation:           -1013.108        #kJ/mol        
-     -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0
-
-1.000Pu+4     - 2.000H+     + 2.000H2O     = Pu(OH)2+2
-     log_k     0.600     #99NEC, 01NEC/KIM, 03GUI/FAN
-     delta_h  49.569     #kJ/mol        
-     # Enthalpy of formation:           -1061.986        #kJ/mol        
-     -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0
-
-1.000Pu+3     - 3.000H+     + 3.000H2O     = Pu(OH)3
-     log_k   -25.300     #80ALL/KIP
-     delta_h  227.540    #kJ/mol        
-     # Enthalpy of formation:           -1221.74        #kJ/mol        
-     -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0
-
-1.000Pu+4     - 3.000H+     + 1.000HGlu-     + 3.000H2O     = Pu(OH)3(HGlu)
-     log_k     4.750     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     - 3.000H+     + 1.000HIsa-     + 3.000H2O     = Pu(OH)3(HIsa)
-     log_k     4.750     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     - 3.000H+     + 2.000HIsa-     + 3.000H2O     = Pu(OH)3(HIsa)2-
-     log_k     6.860     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     - 3.000H+     + 3.000H2O     = Pu(OH)3+
-     log_k    -2.300     #99NEC, 01NEC/KIM, 03GUI/FAN
-     delta_h  68.543     #kJ/mol        
-     # Enthalpy of formation:           -1328.842        #kJ/mol        
-     -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0
-
-1.000Pu+4     - 4.000H+     + 4.000H2O     = Pu(OH)4
-     log_k    -8.500     #03GUI/FAN
-     delta_h  99.049     #kJ/mol        
-     # Enthalpy of formation:           -1584.166        #kJ/mol        
-     -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0
-
-1.000Pu+4     - 4.000H+     + 1.000HGlu-     + 4.000H2O     = Pu(OH)4(HGlu)-
-     log_k    -2.700     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = Pu(OH)4(HIsa)-
-     log_k    -3.600     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     - 4.000H+     + 2.000HIsa-     + 4.000H2O     = Pu(OH)4(HIsa)2-2
-     log_k     0.700     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000Ox-2     = Pu(Ox)+2
-     log_k    11.400     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 2.000Ox-2     = Pu(Ox)2
-     log_k    20.600     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 2.000Ox-2     = Pu(Ox)2-
-     log_k    10.620     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 3.000Ox-2     = Pu(Ox)3-2
-     log_k    25.690     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 3.000Ox-2     = Pu(Ox)3-3
-     log_k    13.220     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     - 4.000H+     + 2.000H2(PO4)-     = Pu(PO4)2-3
-     log_k   -19.730     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000SO4-2     = Pu(SO4)+
-     log_k     3.910     #01LEM/FUG
-     delta_h  17.240     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1483.89        #kJ/mol        
-     -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0
-
-1.000Pu+4     + 1.000SO4-2     = Pu(SO4)+2
-     log_k     6.890     #01LEM/FUG
-     delta_h  13.753     #kJ/mol        
-     # Enthalpy of formation:           -1435.482        #kJ/mol        
-     -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0
-
-1.000Pu+4     + 2.000SO4-2     = Pu(SO4)2
-     log_k    11.140     #01LEM/FUG
-     delta_h  43.906     #kJ/mol        
-     # Enthalpy of formation:           -2314.669        #kJ/mol        
-     -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0
-
-1.000Pu+3     + 2.000SO4-2     = Pu(SO4)2-
-     log_k     5.700     #01LEM/FUG
-     delta_h  11.880     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -2398.59        #kJ/mol        
-     -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0
-
-1.000Pu+4     + 1.000Br-     = PuBr+3
-     log_k     1.600     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000Cl-     = PuCl+3
-     log_k     1.800     #01LEM/FUG
-     delta_h  19.820     #kJ/mol        
-     # Enthalpy of formation:           -687.155        #kJ/mol        
-     -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0
-
-1.000Pu+4     + 1.000F-     = PuF+3
-     log_k     8.840     #01LEM/FUG
-     delta_h   9.100     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -866.145        #kJ/mol        
-     -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0
-
-1.000Pu+4     + 2.000F-     = PuF2+2
-     log_k    15.700     #01LEM/FUG
-     delta_h  11.000     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1199.595        #kJ/mol        
-     -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0
-
-1.000Pu+4     + 3.000F-     = PuF3+
-     log_k    20.110     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000H+     + 1.000H2(PO4)-     = PuH3PO4+4
-     log_k     4.540     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     + 1.000I-     = PuI+2
-     log_k     1.100     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+4     + 1.000I-     = PuI+3
-     log_k     1.620     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000Acetate-     = PuO2(Acetate)+
-     log_k     2.870     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 2.000Acetate-     = PuO2(Acetate)2
-     log_k     4.770     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 3.000Acetate-     = PuO2(Acetate)3-
-     log_k     6.190     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000CO3-2     = PuO2(CO3)
-     log_k     9.500     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 2.000CO3-2     = PuO2(CO3)2-2
-     log_k    14.700     #03GUI/FAN
-     delta_h  -27.000    #kJ/mol        #03GUI/FAN
-     # Enthalpy of formation:           -2199.496        #kJ/mol        
-     -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0
-
-1.000PuO2+2     + 3.000CO3-2     = PuO2(CO3)3-4
-     log_k    18.000     #03GUI/FAN
-     delta_h  -38.600    #kJ/mol        #03GUI/FAN
-     # Enthalpy of formation:           -2886.326        #kJ/mol        
-     -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0
-
-1.000PuO2+     + 3.000CO3-2     = PuO2(CO3)3-5
-     log_k     5.030     
-     delta_h  -19.110    #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -2954.927        #kJ/mol        
-     -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0
-
-2.000UO2+2     + 1.000PuO2+2     + 6.000CO3-2     = PuO2(CO3)6(UO2)2-6
-     log_k    53.480     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+     - 1.000H+     + 1.000H2(PO4)-     = PuO2(HPO4)-
-     log_k    -4.860     #NEA Guidelines in 01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000Nta-3     = PuO2(Nta)-
-     log_k    11.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+     + 1.000Nta-3     = PuO2(Nta)-2
-     log_k     7.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     - 1.000H+     + 1.000H2O     = PuO2(OH)+
-     log_k    -5.500     #01LEM/FUG
-     delta_h  28.000     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1079.866        #kJ/mol        
-     -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0
-
-1.000PuO2+2     - 2.000H+     + 2.000H2O     = PuO2(OH)2
-     log_k   -13.200     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     - 1.000H+     + 1.000H4(SiO4)     = PuO2(OSi(OH)3)+
-     log_k    -3.640     #03YUS/FED
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000Ox-2     = PuO2(Ox)
-     log_k     7.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 2.000Ox-2     = PuO2(Ox)2-2
-     log_k    10.500     #73POR/DEP in 95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000Phthalat-2     = PuO2(Phthalat)
-     log_k     5.760     #11GRI/COL3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000SO4-2     = PuO2(SO4)
-     log_k     3.380     #01LEM/FUG
-     delta_h  16.100     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -1715.276        #kJ/mol        
-     -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0
-
-1.000PuO2+     + 1.000SO4-2     = PuO2(SO4)-
-     log_k     0.440     #Duro et al. (2006), In analogy to NpO2(SO4)-
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 2.000SO4-2     = PuO2(SO4)2-2
-     log_k     4.400     #01LEM/FUG
-     delta_h  43.000     #kJ/mol        #01LEM/FUG
-     # Enthalpy of formation:           -2597.716        #kJ/mol        
-     -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0
-
-1.000PuO2+     + 1.000CO3-2     = PuO2CO3-
-     log_k     5.120     #01LEM/FUG
-     delta_h  44.874     #kJ/mol        
-     # Enthalpy of formation:           -1540.483        #kJ/mol        
-     -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0
-
-1.000PuO2+2     + 1.000Cl-     = PuO2Cl+
-     log_k     0.230     #03GUI/FAN
-     delta_h   4.187     #kJ/mol        
-     # Enthalpy of formation:           -984.929        #kJ/mol        
-     -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0
-
-1.000PuO2+2     + 2.000Cl-     = PuO2Cl2
-     log_k    -1.150     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+     + 1.000F-     = PuO2F
-     log_k     1.200     #In analogy to NpO2)F
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+2     + 1.000F-     = PuO2F+
-     log_k     4.560     #01LEM/FUG
-     delta_h  -3.653     #kJ/mol        
-     # Enthalpy of formation:           -1161.039        #kJ/mol        
-     -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0
-
-1.000PuO2+2     + 2.000F-     = PuO2F2
-     log_k     7.250     #01LEM/FUG
-     delta_h   1.208     #kJ/mol        
-     # Enthalpy of formation:           -1491.528        #kJ/mol        
-     -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0
-
-1.000PuO2+2     + 3.000F-     = PuO2F3-
-     log_k     9.590     #85SAW/CHA
-     delta_h   2.401     #kJ/mol        
-     # Enthalpy of formation:           -1825.685        #kJ/mol        
-     -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0
-
-1.000PuO2+2     + 1.000NO3-     = PuO2NO3+
-     log_k     0.100     #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +))
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000PuO2+     - 1.000H+     + 1.000H2O     = PuO2OH
-     log_k   -11.300     #01LEM/FUG
-     delta_h  71.826     #kJ/mol        
-     # Enthalpy of formation:           -1124.131        #kJ/mol        
-     -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0
-
-1.000Pu+3     + 1.000Ox-2     = PuOx+
-     log_k     6.490     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Pu+3     - 2.000H+     + 1.000H2(PO4)-     = PuPO4
-     log_k    -7.920     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Ra+2     + 1.000CO3-2     = Ra(CO3)
-     log_k     2.500     #99SCH
-     delta_h   4.496     #kJ/mol        
-     # Enthalpy of formation:           -1198.76        #kJ/mol        
-     -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0
-
-1.000H+     + 1.000Ra+2     + 1.000CO3-2     = Ra(HCO3)+
-     log_k    10.920     #02ILE/TWE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Ra+2     + 1.000H2O     = Ra(OH)+
-     log_k   -13.490     
-     delta_h  60.417     #kJ/mol        #85LAN/RIE
-     # Enthalpy of formation:           -753.438        #kJ/mol        
-     -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0
-
-- 2.000H+     + 1.000Ra+2     + 2.000H2O     = Ra(OH)2
-     log_k   -28.070     
-     delta_h  112.197    #kJ/mol        
-     # Enthalpy of formation:           -987.488        #kJ/mol        
-     -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0
-
-1.000Ra+2     + 1.000SO4-2     = Ra(SO4)
-     log_k     2.760     
-     delta_h   5.481     #kJ/mol        
-     # Enthalpy of formation:           -1431.884        #kJ/mol        
-     -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0
-
-1.000Ra+2     + 1.000Cl-     = RaCl+
-     log_k    -0.100     #85LAN/RIE
-     delta_h   2.479     #kJ/mol        
-     # Enthalpy of formation:           -692.626        #kJ/mol        
-     -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0
-
-1.000Ra+2     + 2.000Cl-     = RaCl2
-     log_k    -0.100     
-     delta_h   0.496     #kJ/mol        
-     # Enthalpy of formation:           -861.689        #kJ/mol        
-     -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0
-
-1.000Ra+2     + 1.000F-     = RaF+
-     log_k     0.480     #87BRO/WAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Br-     + 1.000Rb+     = RbBr
-     log_k    -1.240     
-     delta_h  13.836     #kJ/mol        
-     # Enthalpy of formation:           -358.694        #kJ/mol        #97SVE/SHO
-     -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0
-
-1.000Cl-     + 1.000Rb+     = RbCl
-     log_k    -1.010     
-     delta_h  13.189     #kJ/mol        
-     # Enthalpy of formation:           -405.011        #kJ/mol        #97SVE/SHO
-     -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0
-
-1.000F-     + 1.000Rb+     = RbF
-     log_k     0.940     
-     delta_h   1.923     #kJ/mol        
-     # Enthalpy of formation:           -584.547        #kJ/mol        #97SVE/SHO
-     -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0
-
-1.000I-     + 1.000Rb+     = RbI
-     log_k    -0.840     
-     delta_h   6.987     #kJ/mol        
-     # Enthalpy of formation:           -300.913        #kJ/mol        #97SVE/SHO
-     -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0
-
-- 1.000H+     + 1.000Rb+     + 1.000H2O     = RbOH
-     log_k   -14.260     
-     delta_h  64.158     #kJ/mol        
-     # Enthalpy of formation:           -472.792        #kJ/mol        #97SHO/SAS2
-     -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0
-
-- 1.000H+     + 1.000HS-     = S-2
-     log_k   -17.100     #04CHI
-     delta_h  73.278     #kJ/mol        
-     # Enthalpy of formation:           56.978        #kJ/mol        
-     -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0
-
-2.000HS-     - 1.000H2O     + 0.500O2     = S2-2
-     log_k    32.450     
-     delta_h -212.123    #kJ/mol        
-     # Enthalpy of formation:           35.04        #kJ/mol        #04CHI
-     -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0
-
-2.000H+     + 2.000SO3-2     - 1.000H2O     = S2O5-2
-     log_k    12.850     #85GOL/PAR
-     delta_h   2.606     #kJ/mol        
-     # Enthalpy of formation:           -973.684        #kJ/mol        
-     -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0
-
-2.000SO4-2     - 1.000H2O     + 2.000H+     + 0.500O2     = S2O8-2
-     log_k   -22.390     
-     delta_h  194.217    #kJ/mol        
-     # Enthalpy of formation:           -1344.7        #kJ/mol        #82WAG/EVA
-     -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0
-
-1.000H+     + 3.000HS-     - 2.000H2O     + 1.000O2     = S3-2
-     log_k    79.470     
-     delta_h -484.686    #kJ/mol        
-     # Enthalpy of formation:           25.94        #kJ/mol        #74NAU/RYZ
-     -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0
-
-4.000H+     + 3.000SO3-2     - 2.000H2O     - 0.500O2     = S3O6-2
-     log_k    -6.170     
-     delta_h  148.117    #kJ/mol        
-     # Enthalpy of formation:           -1167.336        #kJ/mol        #04CHI
-     -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0
-
-2.000H+     + 4.000HS-     - 3.000H2O     + 1.500O2     = S4-2
-     log_k   125.390     
-     delta_h -751.079    #kJ/mol        
-     # Enthalpy of formation:           23.01        #kJ/mol        #74NAU/RYZ
-     -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0
-
-6.000H+     + 4.000SO3-2     - 3.000H2O     - 1.500O2     = S4O6-2
-     log_k   -38.170     
-     delta_h  424.311    #kJ/mol        
-     # Enthalpy of formation:           -1224.238        #kJ/mol        #04CHI
-     -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0
-
-3.000H+     + 5.000HS-     - 4.000H2O     + 2.000O2     = S5-2
-     log_k   171.090     
-     delta_h -1016.212   #kJ/mol        
-     # Enthalpy of formation:           21.34        #kJ/mol        #74NAU/RYZ
-     -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0
-
-8.000H+     + 5.000SO3-2     - 4.000H2O     - 2.500O2     = S5O6-2
-     log_k   -99.570     
-     delta_h  805.941    #kJ/mol        
-     # Enthalpy of formation:           -1175.704        #kJ/mol        #04CHI
-     -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0
-
-2.000H+     + 1.000SO3-2     - 1.000H2O     = SO2
-     log_k     9.030     
-     delta_h  21.450     #kJ/mol        
-     # Enthalpy of formation:           -323.78        #kJ/mol        #85GOL/PAR
-     -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0
-
-2.000H+     + 1.000Sb(OH)3     - 2.000H2O     = Sb(OH)+2
-     log_k     0.740     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Sb(OH)3     - 1.000H2O     = Sb(OH)2+
-     log_k     1.330     #77ANT/NEV and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Sb(OH)5     - 1.000H2O     = Sb(OH)4+
-     log_k    -3.260     #57PIT/POU in 99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Sb(OH)3     + 1.000H2O     = Sb(OH)4-
-     log_k   -11.820     #52GAY/GAR recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Sb(OH)5     + 1.000H2O     = Sb(OH)6-
-     log_k    -2.720     #63LEF/MAR in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000Sb(OH)3     - 3.000H2O     = Sb+3
-     log_k    -0.730     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 12.000Sb(OH)5     + 4.000H2O     = Sb12(OH)64-4
-     log_k    20.340     #63LEF/MAR in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0
-
-- 5.000H+     + 12.000Sb(OH)5     + 5.000H2O     = Sb12(OH)65-5
-     log_k    16.720     #63LEF/MAR in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+     + 12.000Sb(OH)5     + 6.000H2O     = Sb12(OH)66-6
-     log_k    11.890     #63LEF/MAR in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0
-
-- 7.000H+     + 12.000Sb(OH)5     + 7.000H2O     = Sb12(OH)67-7
-     log_k     6.070     #63LEF/MAR in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0
-
-4.000H+     + 4.000HS-     + 2.000Sb(OH)3     - 6.000H2O     = Sb2H2S4
-     log_k    57.810     #88KRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 4.000HS-     + 2.000Sb(OH)3     - 6.000H2O     = Sb2HS4-
-     log_k    52.900     #88KRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 4.000HS-     + 2.000Sb(OH)3     - 6.000H2O     = Sb2S4-2
-     log_k    43.380     #88KRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000Cl-     + 1.000Sb(OH)3     - 3.000H2O     = SbCl+2
-     log_k     2.800     #70BON/WAU and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 2.000Cl-     + 1.000Sb(OH)3     - 3.000H2O     = SbCl2+
-     log_k     3.270     #70BON/WAU and others recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 1.000F-     + 1.000Sb(OH)3     - 3.000H2O     = SbF+2
-     log_k     6.370     #70BON recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 2.000F-     + 1.000Sb(OH)3     - 3.000H2O     = SbF2+
-     log_k    12.420     #70BON recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0
-
-3.000H+     + 3.000F-     + 1.000Sb(OH)3     - 3.000H2O     = SbF3
-     log_k    18.200     #70BON recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000HSe-     = Se-2
-     log_k   -14.910     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000HSe-     - 1.000H2O     + 0.500O2     = Se2-2
-     log_k    38.490     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.849E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 3.000HSe-     - 2.000H2O     + 1.000O2     = Se3-2
-     log_k    91.220     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.122E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000H+     + 4.000HSe-     - 3.000H2O     + 1.500O2     = Se4-2
-     log_k   142.350     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2     = SeCn-
-     log_k    56.020     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.602E+1 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 2.000H4(SiO4)     - 1.000H2O     = Si2O2(OH)5-
-     log_k    -8.500     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 2.000H4(SiO4)     - 1.000H2O     = Si2O3(OH)4-2
-     log_k   -19.400     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+     + 3.000H4(SiO4)     - 2.000H2O     = Si3O5(OH)5-3
-     log_k   -29.400     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0
-
-- 3.000H+     + 3.000H4(SiO4)     - 3.000H2O     = Si3O6(OH)3-3
-     log_k   -29.300     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 4.000H4(SiO4)     - 4.000H2O     = Si4O6(OH)6-2
-     log_k   -15.600     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 4.000H4(SiO4)     - 3.000H2O     = Si4O7(OH)6-4
-     log_k   -39.100     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 4.000H4(SiO4)     - 4.000H2O     = Si4O8(OH)4-4
-     log_k   -39.200     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+     + 6.000H4(SiO4)     - 9.000H2O     = Si6O15-6
-     log_k   -61.800     #01FEL/CHO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 1.000CO3-2     = Sm(CO3)+
-     log_k     7.800     #95SPA/BRU
-     delta_h  163.392    #kJ/mol        
-     # Enthalpy of formation:           -1203.037        #kJ/mol        
-     -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0
-
-1.000Sm+3     + 2.000CO3-2     = Sm(CO3)2-
-     log_k    12.800     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 3.000CO3-2     = Sm(CO3)3-3
-     log_k    14.800     #05VER/VIT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 1.000H2(PO4)-     = Sm(H2PO4)+2
-     log_k     2.350     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 1.000H+     + 1.000CO3-2     = Sm(HCO3)+2
-     log_k    12.430     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     - 1.000H+     + 1.000H2(PO4)-     = Sm(HPO4)+
-     log_k    -1.610     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     - 2.000H+     + 2.000H2(PO4)-     = Sm(HPO4)2-
-     log_k    -5.020     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 1.000NO3-     = Sm(NO3)+2
-     log_k     0.900     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     - 1.000H+     + 1.000H2O     = Sm(OH)+2
-     log_k    -7.900     #95SPA/BRU
-     delta_h  81.304     #kJ/mol        
-     # Enthalpy of formation:           -895.725        #kJ/mol        
-     -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0
-
-1.000Sm+3     - 2.000H+     + 2.000H2O     = Sm(OH)2+
-     log_k   -15.700     #07NEC/ALT2
-     delta_h  145.698    #kJ/mol        
-     # Enthalpy of formation:           -1117.161        #kJ/mol        
-     -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0
-
-1.000Sm+3     - 3.000H+     + 3.000H2O     = Sm(OH)3
-     log_k   -26.200     #07NEC/ALT2
-     delta_h  228.395    #kJ/mol        
-     # Enthalpy of formation:           -1320.294        #kJ/mol        
-     -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0
-
-1.000Sm+3     - 4.000H+     + 4.000H2O     = Sm(OH)4-
-     log_k   -40.700     #07NEC/ALT2
-     delta_h  298.594    #kJ/mol        
-     # Enthalpy of formation:           -1535.925        #kJ/mol        
-     -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0
-
-1.000Sm+3     - 2.000H+     + 1.000H2(PO4)-     = Sm(PO4)
-     log_k    -7.460     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     - 4.000H+     + 2.000H2(PO4)-     = Sm(PO4)2-3
-     log_k   -18.720     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sm+3     + 1.000SO4-2     = Sm(SO4)+
-     log_k     3.500     #95SPA/BRU
-     delta_h  16.575     #kJ/mol        
-     # Enthalpy of formation:           -1583.964        #kJ/mol        
-     -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0
-
-1.000Sm+3     + 2.000SO4-2     = Sm(SO4)2-
-     log_k     5.200     #95SPA/BRU
-     delta_h  24.910     #kJ/mol        
-     # Enthalpy of formation:           -2484.969        #kJ/mol        
-     -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0
-
-1.000Sm+3     + 1.000Br-     = SmBr+2
-     log_k     0.230     #96FAL/REA
-     delta_h  17.023     #kJ/mol        
-     # Enthalpy of formation:           -795.586        #kJ/mol        
-     -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0
-
-1.000Sm+3     + 1.000Cl-     = SmCl+2
-     log_k     0.720     #Original data 01LUO/BYR and 07LUO/BYR
-     delta_h  22.277     #kJ/mol        
-     # Enthalpy of formation:           -836.002        #kJ/mol        
-     -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0
-
-1.000Sm+3     + 1.000F-     = SmF+2
-     log_k     4.210     #07LUO/BYR
-     delta_h  24.180     #kJ/mol        
-     # Enthalpy of formation:           -1002.369        #kJ/mol        
-     -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0
-
-1.000Sm+3     + 2.000F-     = SmF2+
-     log_k     6.430     #Original data 99SCH/BYR and 04LUO/BYR
-     delta_h  18.850     #kJ/mol        
-     # Enthalpy of formation:           -1343.049        #kJ/mol        
-     -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0
-
-1.000Sm+3     - 1.000H+     + 1.000H4(SiO4)     = SmSiO(OH)3+2
-     log_k    -2.620     #Orginal data 07THA/SIN and 96JEN/CHO1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Cit-3     = Sn(Cit)-
-     log_k     8.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 2.000Cit-3     = Sn(Cit)2-4
-     log_k    11.900     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Edta-4     = Sn(Edta)-2
-     log_k    24.600     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 2.000H+     + 1.000Edta-4     = Sn(H2Edta)
-     log_k    24.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000H+     + 1.000Edta-4     = Sn(HEdta)-
-     log_k    23.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Nta-3     = Sn(Nta)-
-     log_k    13.400     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     - 1.000H+     + 1.000H2O     = Sn(OH)+
-     log_k    -3.530     #12GAM/GAJ
-     delta_h  18.612     #kJ/mol        
-     # Enthalpy of formation:           -276.835        #kJ/mol        
-     -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0
-
-1.000Sn+2     - 2.000H+     + 2.000H2O     = Sn(OH)2
-     log_k    -7.680     #12GAM/GAJ
-     delta_h  40.762     #kJ/mol        
-     # Enthalpy of formation:           -540.515        #kJ/mol        
-     -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0
-
-1.000Sn+2     - 3.000H+     + 3.000H2O     = Sn(OH)3-
-     log_k   -61.190     #13COL/GRI
-     delta_h  344.633    #kJ/mol        
-     # Enthalpy of formation:           -522.474        #kJ/mol        
-     -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0
-
-1.000Sn+4     - 4.000H+     + 4.000H2O     = Sn(OH)4
-     log_k     7.540     
-     delta_h  -49.215    #kJ/mol        
-     # Enthalpy of formation:           -1224.035        #kJ/mol        
-     -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0
-
-1.000Sn+4     - 5.000H+     + 5.000H2O     = Sn(OH)5-
-     log_k    -1.060     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+4     - 6.000H+     + 6.000H2O     = Sn(OH)6-2
-     log_k   -11.130     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     - 1.000H+     + 1.000Cl-     + 1.000H2O     = Sn(OH)Cl
-     log_k    -3.100     #52VAN/RHO recalculated in 02HUM/BER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Ox-2     = Sn(Ox)
-     log_k     6.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 2.000Ox-2     = Sn(Ox)2-2
-     log_k    12.900     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 3.000Ox-2     = Sn(Ox)3-4
-     log_k    17.100     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000SO4-2     = Sn(SO4)
-     log_k     3.430     #12GAM/GAJ
-     delta_h  16.900     #kJ/mol        #Suggested but not selected in 12GAM/GAJ
-     # Enthalpy of formation:           -902.057        #kJ/mol        
-     -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0
-
-3.000Sn+2     - 4.000H+     + 4.000H2O     = Sn3(OH)4+2
-     log_k    -5.600     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Br-     = SnBr+
-     log_k     1.330     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 2.000Br-     = SnBr2
-     log_k     1.970     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 3.000Br-     = SnBr3-
-     log_k     1.930     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000Cl-     = SnCl+
-     log_k     1.520     #12GAM/GAJ
-     delta_h  12.700     #kJ/mol        #12GAM/GAJ
-     # Enthalpy of formation:           -163.997        #kJ/mol        
-     -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0
-
-1.000Sn+2     + 2.000Cl-     = SnCl2
-     log_k     2.170     #12GAM/GAJ
-     delta_h  19.700     #kJ/mol        #12GAM/GAJ
-     # Enthalpy of formation:           -324.077        #kJ/mol        
-     -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0
-
-1.000Sn+2     + 3.000Cl-     = SnCl3-
-     log_k     2.130     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 4.000Cl-     = SnCl4-2
-     log_k     2.030     #12GAM/GAJ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000F-     = SnF+
-     log_k     5.250     #12GAM/GAJ
-     delta_h  -9.579     #kJ/mol        
-     # Enthalpy of formation:           -354.546        #kJ/mol        
-     -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0
-
-1.000Sn+2     + 2.000F-     = SnF2
-     log_k     8.890     #12GAM/GAJ
-     delta_h  -9.968     #kJ/mol        
-     # Enthalpy of formation:           -690.285        #kJ/mol        
-     -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0
-
-1.000Sn+2     + 3.000F-     = SnF3-
-     log_k    11.500     #12GAM/GAJ
-     delta_h  -4.478     #kJ/mol        
-     # Enthalpy of formation:           -1020.145        #kJ/mol        
-     -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0
-
-1.000Sn+2     - 1.000H+     + 1.000H2(PO4)-     = SnHPO4
-     log_k     2.290     #00CIA/IUL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 1.000I-     = SnI+
-     log_k     1.740     #68HAI/JOH1 recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     + 2.000I-     = SnI2
-     log_k     2.690     #68HAI/JOH1 recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sn+2     - 2.000H+     + 1.000H2(PO4)-     = SnPO4-
-     log_k    -1.560     #00CIA/IUL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000CO3-2     = Sr(CO3)
-     log_k     2.810     #84BUS/PLU
-     delta_h  21.824     #kJ/mol        
-     # Enthalpy of formation:           -1204.306        #kJ/mol        
-     -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0
-
-1.000Sr+2     + 1.000Cit-3     = Sr(Cit)-
-     log_k     4.240     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     - 1.000H+     + 2.000Cit-3     + 1.000H2O     = Sr(Cit)2(OH)-5
-     log_k    -1.780     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000Cit-3     = Sr(Cit)2-4
-     log_k     4.840     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000Cn-     = Sr(Cn)+
-     log_k     0.710     #estimation NEA87     08/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000Cn-     = Sr(Cn)2
-     log_k     0.200     #estimation NEA87     08/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000Edta-4     = Sr(Edta)-2
-     log_k    10.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000H+     + 1.000Cit-3     = Sr(H2Cit)+
-     log_k    12.460     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000H2(PO4)-     = Sr(H2PO4)+
-     log_k     0.830     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000H+     + 1.000CO3-2     = Sr(HCO3)+
-     log_k    11.510     #84BUS/PLUS
-     delta_h  10.598     #kJ/mol        
-     # Enthalpy of formation:           -1215.533        #kJ/mol        
-     -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0
-
-1.000Sr+2     + 1.000H+     + 1.000Cit-3     = Sr(HCit)
-     log_k     9.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000H+     + 1.000Edta-4     = Sr(HEdta)-
-     log_k    14.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000H+     + 1.000Ox-2     = Sr(HOx)+
-     log_k     5.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000H+     + 2.000Ox-2     = Sr(HOx)2
-     log_k    10.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     - 1.000H+     + 1.000H2(PO4)-     = Sr(HPO4)
-     log_k    -4.700     #97MAR/SMI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000IO3-     = Sr(IO3)+
-     log_k     0.330     #estimation NEA87     01/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000IO3-     = Sr(IO3)2
-     log_k    -0.550     #estimation NEA87     01/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000NH3     = Sr(NH3)+2
-     log_k    -0.550     #estimation NEA87     08/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000NO3-     = Sr(NO3)+
-     log_k     0.600     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000NO3-     = Sr(NO3)2
-     log_k     0.310     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000Nta-3     = Sr(Nta)-
-     log_k     6.250     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     - 1.000H+     + 1.000H2O     = Sr(OH)+
-     log_k   -13.290     #76BAE/MES
-     delta_h  82.609     #kJ/mol        
-     # Enthalpy of formation:           -754.12        #kJ/mol        
-     -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0
-
-1.000Sr+2     + 1.000Ox-2     = Sr(Ox)
-     log_k     2.540     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000Ox-2     = Sr(Ox)2-2
-     log_k     3.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     - 2.000H+     + 1.000H2(PO4)-     = Sr(PO4)-
-     log_k   -13.560     #96BOU1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000Pyrophos-4     = Sr(Pyrophos)-2
-     log_k     5.400     #76SMI/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000S2O3-2     = Sr(S2O3)
-     log_k     2.040     #76SMI/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000SO4-2     = Sr(SO4)
-     log_k     2.300     #06BLA/IGN
-     delta_h   7.029     #kJ/mol        #06BLA/IGN
-     # Enthalpy of formation:           -1453.211        #kJ/mol        
-     -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0
-
-2.000Sr+2     - 1.000H+     + 1.000Cit-3     + 1.000H2O     = Sr2(Cit)(OH)
-     log_k     0.380     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000B(OH)4-     = SrB(OH)4+
-     log_k     1.550     #80BAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000Cl-     = SrCl+
-     log_k     0.230     #96BOU1
-     delta_h   4.924     #kJ/mol        
-     # Enthalpy of formation:           -713.054        #kJ/mol        
-     -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0
-
-1.000Sr+2     + 1.000F-     = SrF+
-     log_k     0.300     
-     delta_h  16.740     #kJ/mol        
-     # Enthalpy of formation:           -869.51        #kJ/mol        
-     -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0
-
-1.000Sr+2     + 2.000F-     = SrF2
-     log_k     2.020     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 1.000I-     = SrI+
-     log_k     0.140     #estimation NEA87     01/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000Sr+2     + 2.000I-     = SrI2
-     log_k    -0.040     #estimation NEA87     01/02/95
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4E-2 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 2.000H+     + 1.000CO3-2     - 1.000H2O     = Tc(OH)2CO3
-     log_k    19.260     #99RAR/RAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     + 1.000CO3-2     = Tc(OH)3CO3-
-     log_k    10.960     #99RAR/RAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     - 1.000H2O     + 1.000Acetate-     = TcO(OH)(Acetate)
-     log_k     5.550     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     + 1.000Edta-4     - 1.000H2O     = TcO(OH)(Edta)-3
-     log_k    19.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     + 1.000Nta-3     - 1.000H2O     = TcO(OH)(Nta)-2
-     log_k    13.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     + 2.000Nta-3     - 1.000H2O     = TcO(OH)(Nta)2-5
-     log_k    11.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 1.000H+     - 1.000H2O     = TcO(OH)+
-     log_k     2.790     
-     delta_h   4.020     #kJ/mol        #97NGU/LAN
-     # Enthalpy of formation:           -459.47        #kJ/mol        
-     -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0
-
-1.000TcO(OH)2     + 2.000H+     + 1.000Ox-2     - 2.000H2O     = TcO(Ox)
-     log_k     9.800     #06XIA/HES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 2.000H+     + 2.000Ox-2     - 2.000H2O     = TcO(Ox)2-2
-     log_k    13.660     #06XIA/HES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000TcO(OH)2     + 2.000H+     - 2.000H2O     = TcO+2
-     log_k     2.580     #97NGU/LAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Acetate-     = Th(Acetate)+3
-     log_k     5.240     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000Acetate-     = Th(Acetate)2+2
-     log_k     9.440     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 3.000Acetate-     = Th(Acetate)3+
-     log_k    12.560     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 4.000Acetate-     = Th(Acetate)4
-     log_k    14.380     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 5.000Acetate-     = Th(Acetate)5-
-     log_k    15.370     #11RIC/GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 5.000CO3-2     = Th(CO3)5-6
-     log_k    31.000     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Cit-3     = Th(Cit)+
-     log_k    16.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000Cit-3     = Th(Cit)2-2
-     log_k    25.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Edta-4     = Th(Edta)
-     log_k    26.950     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000H2(PO4)-     = Th(H2PO4)+3
-     log_k     5.590     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000H2(PO4)-     = Th(H2PO4)2+2
-     log_k    10.480     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000H+     + 2.000H2(PO4)-     = Th(H3PO4)(H2PO4)+3
-     log_k     9.700     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000H+     + 1.000H2(PO4)-     = Th(H3PO4)+4
-     log_k     4.030     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000H+     + 1.000Edta-4     = Th(HEdta)+
-     log_k    28.700     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000H+     + 1.000Ox-2     = Th(HOx)+3
-     log_k    11.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000H+     + 2.000Ox-2     = Th(HOx)2+2
-     log_k    18.130     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 4.000H+     + 4.000Ox-2     = Th(HOx)4
-     log_k    24.300     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Malonate-2     = Th(Malonate)+2
-     log_k     9.320     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000Malonate-2     = Th(Malonate)2
-     log_k    16.070     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 3.000Malonate-2     = Th(Malonate)3-2
-     log_k    19.630     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000NO3-     = Th(NO3)+3
-     log_k     1.300     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000NO3-     = Th(NO3)2+2
-     log_k     2.300     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Nta-3     = Th(Nta)+
-     log_k    17.150     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 1.000H+     + 4.000CO3-2     + 1.000H2O     = Th(OH)(CO3)4-5
-     log_k    21.600     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 1.000H+     + 1.000Edta-4     + 1.000H2O     = Th(OH)(Edta)-
-     log_k    19.500     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 1.000H+     + 1.000Nta-3     + 1.000H2O     = Th(OH)(Nta)
-     log_k    25.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 1.000H+     + 1.000H2O     = Th(OH)+3
-     log_k    -2.500     #09RAN/FUG
-     delta_h  44.200     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -1010.33        #kJ/mol        
-     -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0
-
-1.000Th+4     - 2.000H+     + 1.000CO3-2     + 2.000H2O     = Th(OH)2(CO3)
-     log_k     2.500     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 2.000H+     + 2.000CO3-2     + 2.000H2O     = Th(OH)2(CO3)2-2
-     log_k     8.800     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 2.000H+     + 1.000Nta-3     + 2.000H2O     = Th(OH)2(Nta)-
-     log_k    35.200     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 2.000H+     + 2.000H2O     = Th(OH)2+2
-     log_k    -6.200     #09RAN/FUG
-     delta_h  85.700     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -1254.66        #kJ/mol        
-     -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0
-
-1.000Th+4     - 3.000H+     + 1.000CO3-2     + 3.000H2O     = Th(OH)3(CO3)-
-     log_k    -3.700     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 3.000H+     + 1.000HGlu-     + 3.000H2O     = Th(OH)3(HGlu)
-     log_k    -6.700     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 3.000H+     + 1.000HIsa-     + 3.000H2O     = Th(OH)3(HIsa)
-     log_k    -5.650     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 3.000H+     + 2.000HIsa-     + 3.000H2O     = Th(OH)3(HIsa)2-
-     log_k    -4.900     #09RAI/YUI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 3.000H+     + 3.000H2O     = Th(OH)3+
-     log_k   -11.000     #10GRI/RIB
-     delta_h  125.623    #kJ/mol        
-     # Enthalpy of formation:           -1500.554        #kJ/mol        
-     -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0
-
-1.000Th+4     - 4.000H+     + 4.000H2O     = Th(OH)4
-     log_k   -17.400     #09RAN/FUG
-     delta_h  152.688    #kJ/mol        
-     # Enthalpy of formation:           -1759.319        #kJ/mol        
-     -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0
-
-1.000Th+4     - 4.000H+     + 1.000CO3-2     + 4.000H2O     = Th(OH)4(CO3)-2
-     log_k   -15.600     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 4.000H+     + 1.000HGlu-     + 4.000H2O     = Th(OH)4(HGlu)-
-     log_k   -11.800     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000HGlu-     + 4.000H2O     - 4.000H+     = Th(OH)4(HGlu)2-2
-     log_k    -9.900     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = Th(OH)4(HIsa)-
-     log_k   -13.200     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     - 4.000H+     + 2.000HIsa-     + 4.000H2O     = Th(OH)4(HIsa)2-2
-     log_k   -10.400     #13COL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Ox-2     = Th(Ox)+2
-     log_k     9.700     #08SAS/TAK; 09KOB/SAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000Ox-2     = Th(Ox)2
-     log_k    16.000     #08SAS/TAK; 09KOB/SAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 3.000Ox-2     = Th(Ox)3-2
-     log_k    22.200     #08SAS/TAK; 09KOB/SAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000SO4-2     = Th(SO4)+2
-     log_k     6.170     #09RAN/FUG
-     delta_h  20.920     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -1657.12        #kJ/mol        
-     -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0
-
-1.000Th+4     + 2.000SO4-2     = Th(SO4)2
-     log_k     9.690     #09RAN/FUG
-     delta_h  40.380     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -2547        #kJ/mol        
-     -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0
-
-1.000Th+4     + 3.000SO4-2     = Th(SO4)3-2
-     log_k    10.750     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000Succinat-2     = Th(Succinat)+2
-     log_k     8.490     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 2.000Succinat-2     = Th(Succinat)2
-     log_k    12.920     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 3.000Succinat-2     = Th(Succinat)3-2
-     log_k    16.620     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000Th+4     - 2.000H+     + 2.000H2O     = Th2(OH)2+6
-     log_k    -5.900     #09RAN/FUG
-     delta_h  58.300     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -2050.76        #kJ/mol        
-     -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0
-
-2.000Th+4     - 3.000H+     + 3.000H2O     = Th2(OH)3+5
-     log_k    -6.800     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Th+4     - 1.000H+     + 1.000Ox-2     + 1.000H2O     = Th2(Ox)(OH)+5
-     log_k    26.240     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Th+4     - 12.000H+     + 12.000H2O     = Th4(OH)12+4
-     log_k   -26.600     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0
-
-4.000Th+4     - 8.000H+     + 8.000H2O     = Th4(OH)8+8
-     log_k   -20.400     #09RAN/FUG
-     delta_h  243.000    #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -5118.44        #kJ/mol        
-     -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0
-
-6.000Th+4     - 14.000H+     + 14.000H2O     = Th6(OH)14+10
-     log_k   -36.800     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000Th+4     - 15.000H+     + 15.000H2O     = Th6(OH)15+9
-     log_k   -36.800     #09RAN/FUG
-     delta_h  472.800    #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -8426.85        #kJ/mol        
-     -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0
-
-1.000Th+4     + 1.000Cl-     = ThCl+3
-     log_k     1.700     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 1.000F-     = ThF+3
-     log_k     8.870     #09RAN/FUG
-     delta_h  -0.400     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -1104.45        #kJ/mol        
-     -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0
-
-1.000Th+4     + 2.000F-     = ThF2+2
-     log_k    15.630     #09RAN/FUG
-     delta_h  -3.300     #kJ/mol        #09RAN/FUG
-     # Enthalpy of formation:           -1442.7        #kJ/mol        
-     -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0
-
-1.000Th+4     + 3.000F-     = ThF3+
-     log_k    20.670     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Th+4     + 4.000F-     = ThF4
-     log_k    25.580     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000Acetate-     = U(Acetate)+3
-     log_k     5.640     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 2.000Acetate-     = U(Acetate)2+2
-     log_k     9.810     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 4.000CO3-2     = U(CO3)4-4
-     log_k    35.120     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 5.000CO3-2     = U(CO3)5-6
-     log_k    34.000     #03GUI/FAN
-     delta_h  -20.000    #kJ/mol        #03GUI/FAN
-     # Enthalpy of formation:           -3987.35        #kJ/mol        
-     -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0
-
-1.000U+4     + 1.000Edta-4     = U(Edta)
-     log_k    29.500     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000NO3-     = U(NO3)+3
-     log_k     1.470     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 2.000NO3-     = U(NO3)2+2
-     log_k     2.300     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000Nta-3     = U(Nta)+
-     log_k    20.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 1.000H+     + 1.000Edta-4     + 1.000H2O     = U(OH)(Edta)-
-     log_k    24.600     #63ERM/KRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 1.000H+     + 1.000H2O     = U(OH)+3
-     log_k    -0.540     #92GRE/FUG
-     delta_h  46.910     #kJ/mol        
-     # Enthalpy of formation:           -830.12        #kJ/mol        
-     -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0
-
-1.000U+4     - 2.000H+     + 1.000Edta-4     + 2.000H2O     = U(OH)2(Edta)-2
-     log_k    16.500     #63ERM/KRO
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 2.000H+     + 2.000H2O     = U(OH)2+2
-     log_k    -1.100     #01NEC/KIM
-     delta_h  59.974     #kJ/mol        
-     # Enthalpy of formation:           -1102.886        #kJ/mol        
-     -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0
-
-1.000U+4     - 3.000H+     + 1.000HGlu-     + 3.000H2O     = U(OH)3(HGlu)
-     log_k     0.290     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 3.000H+     + 1.000HIsa-     + 3.000H2O     = U(OH)3(HIsa)
-     log_k     0.290     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 3.000H+     + 2.000HIsa-     + 3.000H2O     = U(OH)3(HIsa)2-
-     log_k     2.400     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 3.000H+     + 3.000H2O     = U(OH)3+
-     log_k    -4.700     #01NEC/KIM
-     delta_h  82.944     #kJ/mol        
-     # Enthalpy of formation:           -1365.746        #kJ/mol        
-     -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0
-
-1.000U+4     - 4.000H+     + 4.000H2O     = U(OH)4
-     log_k   -10.000     #03GUI/FAN
-     delta_h  109.881    #kJ/mol        
-     # Enthalpy of formation:           -1624.639        #kJ/mol        
-     -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0
-
-1.000U+4     - 4.000H+     + 1.000HGlu-     + 4.000H2O     = U(OH)4(HGlu)-
-     log_k    -5.940     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = U(OH)4(HIsa)-
-     log_k    -6.700     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     - 4.000H+     + 2.000HIsa-     + 4.000H2O     = U(OH)4(HIsa)2-2
-     log_k    -5.100     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 2.000Ox-2     = U(Ox)2
-     log_k    18.630     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 3.000Ox-2     = U(Ox)3-2
-     log_k    24.190     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000SO4-2     = U(SO4)+2
-     log_k     6.580     #92GRE/FUG
-     delta_h   8.000     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1492.54        #kJ/mol        
-     -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0
-
-1.000U+4     + 2.000SO4-2     = U(SO4)2
-     log_k    10.510     #92GRE/FUG
-     delta_h  32.700     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -2377.18        #kJ/mol        
-     -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0
-
-1.000U+4     + 1.000Br-     = UBr+3
-     log_k     1.460     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000Cl-     = UCl+3
-     log_k     1.720     #92GRE/FUG
-     delta_h  -19.000    #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -777.28        #kJ/mol        
-     -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0
-
-1.000U+4     + 1.000F-     = UF+3
-     log_k     9.420     #03GUI/FAN
-     delta_h  -5.600     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -932.15        #kJ/mol        
-     -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0
-
-1.000U+4     + 2.000F-     = UF2+2
-     log_k    16.560     #03GUI/FAN
-     delta_h  -3.500     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1265.4        #kJ/mol        
-     -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0
-
-1.000U+4     + 3.000F-     = UF3+
-     log_k    21.890     #03GUI/FAN
-     delta_h   0.500     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1596.75        #kJ/mol        
-     -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0
-
-1.000U+4     + 4.000F-     = UF4
-     log_k    26.340     #03GUI/FAN
-     delta_h  -8.429     #kJ/mol        
-     # Enthalpy of formation:           -1941.029        #kJ/mol        
-     -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0
-
-1.000U+4     + 5.000F-     = UF5-
-     log_k    27.730     #03GUI/FAN
-     delta_h  -11.624    #kJ/mol        
-     # Enthalpy of formation:           -2279.574        #kJ/mol        
-     -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0
-
-1.000U+4     + 6.000F-     = UF6-2
-     log_k    29.800     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000I-     = UI+3
-     log_k     1.250     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Acetate-     = UO2(Acetate)+
-     log_k     3.020     #11RIC/GRI
-     delta_h  -35.366    #kJ/mol        
-     # Enthalpy of formation:           -1540.376        #kJ/mol        
-     -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0
-
-1.000UO2+2     + 2.000Acetate-     = UO2(Acetate)2
-     log_k     5.200     #11RIC/GRI
-     delta_h  -34.958    #kJ/mol        
-     # Enthalpy of formation:           -2025.978        #kJ/mol        
-     -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0
-
-1.000UO2+2     + 3.000Acetate-     = UO2(Acetate)3-
-     log_k     7.030     #11RIC/GRI
-     delta_h  -45.947    #kJ/mol        
-     # Enthalpy of formation:           -2522.977        #kJ/mol        
-     -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0
-
-1.000UO2+2     + 1.000CO3-2     = UO2(CO3)
-     log_k     9.940     #03GUI/FAN
-     delta_h   5.000     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1689.23        #kJ/mol        
-     -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0
-
-1.000UO2+2     + 2.000CO3-2     = UO2(CO3)2-2
-     log_k    16.610     #03GUI/FAN
-     delta_h  18.500     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -2350.96        #kJ/mol        
-     -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0
-
-1.000UO2+2     + 3.000CO3-2     = UO2(CO3)3-4
-     log_k    21.840     #03GUI/FAN
-     delta_h  -39.200    #kJ/mol        
-     # Enthalpy of formation:           -3083.89        #kJ/mol        
-     -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0
-
-1.000UO2+     + 3.000CO3-2     = UO2(CO3)3-5
-     log_k     6.950     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Cit-3     = UO2(Cit)-
-     log_k     8.960     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Edta-4     = UO2(Edta)-2
-     log_k    13.700     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3     + 1.000UO2+2     + 2.000H+     = UO2(H2AsO4)+
-     log_k    21.960     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 4.000H+     + 2.000AsO4-3     = UO2(H2AsO4)2
-     log_k    41.530     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000H+     + 2.000H2(PO4)-     = UO2(H2PO4)(H3PO4)+
-     log_k     5.930     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000H2(PO4)-     = UO2(H2PO4)+
-     log_k     3.260     #92GRE/FUG
-     delta_h  -15.340    #kJ/mol        
-     # Enthalpy of formation:           -2336.94        #kJ/mol        
-     -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0
-
-1.000UO2+2     + 2.000H2(PO4)-     = UO2(H2PO4)2
-     log_k     4.920     #92GRE/FUG
-     delta_h  -51.871    #kJ/mol        
-     # Enthalpy of formation:           -6902.925        #kJ/mol        
-     -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0
-
-1.000UO2+2     + 1.000H+     + 1.000H2(PO4)-     = UO2(H3PO4)+2
-     log_k     2.900     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000AsO4-3     + 1.000UO2+2     + 1.000H+     = UO2(HAsO4)
-     log_k    18.760     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000H+     + 1.000Cit-3     = UO2(HCit)
-     log_k    11.360     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000H+     + 1.000Edta-4     = UO2(HEdta)-
-     log_k    19.610     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000HIsa-     = UO2(HIsa)+
-     log_k     3.700     #04RAO/GAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 2.000HIsa-     = UO2(HIsa)2
-     log_k     6.600     #04RAO/GAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 3.000HIsa-     = UO2(HIsa)3-
-     log_k     8.500     #04RAO/GAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000H+     + 1.000Nta-3     = UO2(HNta)
-     log_k     9.000     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     - 1.000H+     + 1.000H2(PO4)-     = UO2(HPO4)
-     log_k     0.030     #92GRE/FUG
-     delta_h   2.795     #kJ/mol        
-     # Enthalpy of formation:           -4408.507        #kJ/mol        
-     -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0
-
-1.000UO2+2     + 2.000I-     + 3.000O2     = UO2(IO3)2
-     log_k    38.400     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.84E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000NO3-     = UO2(NO3)+
-     log_k     0.100     #08RAO/TIA
-     delta_h   3.900     #kJ/mol        #08RAO/TIA
-     # Enthalpy of formation:           -1221.95        #kJ/mol        
-     -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0
-
-1.000UO2+2     + 1.000Nta-3     = UO2(Nta)-
-     log_k    10.800     #95AKR/BOU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     - 1.000H+     + 1.000Ox-2     + 1.000H2O     = UO2(OH)(Ox)-
-     log_k     0.630     #56GRI/PTI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     - 1.000H+     + 1.000H2O     = UO2(OH)+
-     log_k    -5.250     #03GUI/FAN
-     delta_h  43.458     #kJ/mol        
-     # Enthalpy of formation:           -1261.372        #kJ/mol        
-     -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0
-
-1.000UO2+2     - 2.000H+     + 2.000H2O     = UO2(OH)2
-     log_k   -12.150     #03GUI/FAN
-     delta_h  111.160    #kJ/mol        
-     # Enthalpy of formation:           -1479.5        #kJ/mol        #82WAG/EVA
-     -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0
-
-1.000UO2+2     - 3.000H+     + 3.000H2O     = UO2(OH)3-
-     log_k   -20.250     #03GUI/FAN
-     delta_h  148.060    #kJ/mol        #Estimated by linear correlations
-     # Enthalpy of formation:           -1728.43        #kJ/mol        
-     -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0
-
-1.000UO2+2     - 4.000H+     + 1.000HIsa-     + 4.000H2O     = UO2(OH)4(HIsa)-3
-     log_k   -28.100     #06GAO/MON
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     - 4.000H+     + 4.000H2O     = UO2(OH)4-2
-     log_k   -32.400     #03GUI/FAN
-     delta_h  156.138    #kJ/mol        
-     # Enthalpy of formation:           -2006.182        #kJ/mol        
-     -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0
-
-1.000UO2+2     + 1.000Ox-2     = UO2(Ox)
-     log_k     7.130     #05HUM/AND
-     delta_h  25.360     #kJ/mol        
-     # Enthalpy of formation:           -1824.3        #kJ/mol        #05HUM/AND
-     -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0
-
-1.000UO2+2     + 2.000Ox-2     = UO2(Ox)2-2
-     log_k    11.650     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 3.000Ox-2     = UO2(Ox)3-4
-     log_k    13.800     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     - 2.000H+     + 1.000H2(PO4)-     = UO2(PO4)-
-     log_k    -6.330     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Phthalat-2     = UO2(Phthalat)
-     log_k     5.560     #11GRI/COL3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000S2O3-2     = UO2(S2O3)
-     log_k     2.800     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000SO3-2     = UO2(SO3)
-     log_k     6.600     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000SO4-2     = UO2(SO4)
-     log_k     3.150     #03GUI/FAN
-     delta_h  19.500     #kJ/mol        #03GUI/FAN
-     # Enthalpy of formation:           -1908.84        #kJ/mol        
-     -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0
-
-1.000UO2+2     + 2.000SO4-2     = UO2(SO4)2-2
-     log_k     4.140     #03GUI/FAN
-     delta_h  35.100     #kJ/mol        #03GUI/FAN
-     # Enthalpy of formation:           -2802.58        #kJ/mol        
-     -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0
-
-1.000UO2+2     + 3.000SO4-2     = UO2(SO4)3-4
-     log_k     3.020     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000SeO4-2     = UO2(SeO4)
-     log_k     2.740     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 2.000SeO4-2     = UO2(SeO4)2-2
-     log_k     3.100     #99DJO/PIZ recalculated in 05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Succinat-2     = UO2(Succinat)
-     log_k     5.280     #13GRI/CAM
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Br-     = UO2Br+
-     log_k     0.220     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0
-
-1.000UO2+2     + 1.000Br-     + 1.500O2     = UO2BrO3+
-     log_k   -16.570     #92GRE/FUG
-     delta_h  73.011     #kJ/mol        
-     # Enthalpy of formation:           -1085.6        #kJ/mol        
-     -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0
-
-1.000UO2+2     + 1.000Cl-     = UO2Cl+
-     log_k     0.170     #92GRE/FUG
-     delta_h   8.000     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1178.08        #kJ/mol        
-     -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0
-
-1.000UO2+2     + 2.000Cl-     = UO2Cl2
-     log_k    -1.100     #92GRE/FUG
-     delta_h  15.000     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1338.16        #kJ/mol        
-     -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0
-
-1.000UO2+2     + 1.000Cl-     + 1.500O2     = UO2ClO3+
-     log_k   -16.770     #92GRE/FUG
-     delta_h  77.381     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1126.9        #kJ/mol        
-     -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0
-
-1.000UO2+2     + 1.000F-     = UO2F+
-     log_k     5.160     #03GUI/FAN
-     delta_h   1.700     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1352.65        #kJ/mol        
-     -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0
-
-1.000UO2+2     + 2.000F-     = UO2F2
-     log_k     8.830     #03GUI/FAN
-     delta_h   2.100     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -1687.6        #kJ/mol        
-     -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0
-
-1.000UO2+2     + 3.000F-     = UO2F3-
-     log_k    10.900     #03GUI/FAN
-     delta_h   2.350     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -2022.7        #kJ/mol        
-     -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0
-
-1.000UO2+2     + 4.000F-     = UO2F4-2
-     log_k    11.840     #03GUI/FAN
-     delta_h   0.290     #kJ/mol        #92GRE/FUG
-     # Enthalpy of formation:           -2360.11        #kJ/mol        
-     -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0
-
-1.000UO2+2     + 1.000I-     + 1.500O2     = UO2IO3+
-     log_k    19.410     #92GRE/FUG
-     delta_h -134.919    #kJ/mol        
-     # Enthalpy of formation:           -1228.9        #kJ/mol        
-     -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0
-
-1.000UO2+2     - 1.000H+     + 1.000H4(SiO4)     = UO2SiO(OH)3+
-     log_k    -1.840     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000U+4     + 1.000Ox-2     = UOx+2
-     log_k    10.670     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2     + 1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2     = Zn(SeCn)+
-     log_k    57.230     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.723E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2     + 2.000H+     + 2.000Cn-     + 2.000HSe-     - 2.000H2O     + 1.000O2     = Zn(SeCn)2
-     log_k   113.710     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0
-
-1.000Zn+2     + 1.000SeO4-2     = Zn(SeO4)
-     log_k     2.160     #05OLI/NOL
-     delta_h   4.600     #kJ/mol        #05OLI/NOL
-     # Enthalpy of formation:           -752.29        #kJ/mol        
-     -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0
-
-4.000CO3-2     + 1.000Zr+4     = Zr(CO3)4-4
-     log_k    42.900     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000NO3-     + 1.000Zr+4     = Zr(NO3)2+2
-     log_k     2.640     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0
-
-- 1.000H+     + 1.000Zr+4     + 1.000H2O     = Zr(OH)+3
-     log_k     0.320     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0
-
-- 2.000H+     + 1.000Zr+4     + 2.000H2O     = Zr(OH)2+2
-     log_k     0.980     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 1.000Zr+4     + 4.000H2O     = Zr(OH)4
-     log_k    -2.190     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0
-
-- 6.000H+     + 1.000Zr+4     + 6.000H2O     = Zr(OH)6-2
-     log_k   -29.000     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0
-
-2.000SO4-2     + 1.000Zr+4     = Zr(SO4)2
-     log_k    11.540     #05BRO/CUR
-     delta_h  67.380     #kJ/mol        
-     # Enthalpy of formation:           -2359.8        #kJ/mol        #05BRO/CUR
-     -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0
-
-3.000SO4-2     + 1.000Zr+4     = Zr(SO4)3-2
-     log_k    14.300     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0
-
-- 4.000H+     + 3.000Zr+4     + 4.000H2O     = Zr3(OH)4+8
-     log_k     0.400     #05BRO/CUR
-     delta_h  -1.980     #kJ/mol        
-     # Enthalpy of formation:           -2970.8        #kJ/mol        #05BRO/CUR
-     -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0
-
-- 15.000H+     + 4.000Zr+4     + 15.000H2O     = Zr4(OH)15+
-     log_k    12.580     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0
-
-- 16.000H+     + 4.000Zr+4     + 16.000H2O     = Zr4(OH)16
-     log_k     8.390     #05BRO/CUR
-     delta_h  301.120    #kJ/mol        
-     # Enthalpy of formation:           -6706.16        #kJ/mol        #05BRO/CUR
-     -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0
-
-1.000Cl-     + 1.000Zr+4     = ZrCl+3
-     log_k     1.590     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
-
-2.000Cl-     + 1.000Zr+4     = ZrCl2+2
-     log_k     2.170     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000F-     + 1.000Zr+4     = ZrF+3
-     log_k    10.120     #05BRO/CUR
-     delta_h  -17.500    #kJ/mol        #05BRO/CUR
-     # Enthalpy of formation:           -961.35        #kJ/mol        
-     -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0
-
-2.000F-     + 1.000Zr+4     = ZrF2+2
-     log_k    18.550     #05BRO/CUR
-     delta_h  -16.800    #kJ/mol        #05BRO/CUR
-     # Enthalpy of formation:           -1296        #kJ/mol        
-     -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0
-
-3.000F-     + 1.000Zr+4     = ZrF3+
-     log_k    24.720     #05BRO/CUR
-     delta_h  -11.200    #kJ/mol        #05BRO/CUR
-     # Enthalpy of formation:           -1625.75        #kJ/mol        
-     -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0
-
-4.000F-     + 1.000Zr+4     = ZrF4
-     log_k    30.110     #05BRO/CUR
-     delta_h  -22.000    #kJ/mol        #05BRO/CUR
-     # Enthalpy of formation:           -1971.9        #kJ/mol        
-     -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0
-
-5.000F-     + 1.000Zr+4     = ZrF5-
-     log_k    34.600     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0
-
-6.000F-     + 1.000Zr+4     = ZrF6-2
-     log_k    38.110     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0
-
-1.000NO3-     + 1.000Zr+4     = ZrNO3+3
-     log_k     1.590     #05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
-
-1.000SO4-2     + 1.000Zr+4     = ZrSO4+2
-     log_k     7.040     #05BRO/CUR
-     delta_h  36.940     #kJ/mol        
-     # Enthalpy of formation:           -1480.9        #kJ/mol        #05BRO/CUR
-     -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0
-
-
+Acetate- = Acetate-
+      log_k 0
+#     Enthalpy of formation: -486.010  kJ/mol  82WAG/EVA
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Adipate-2 = Adipate-2
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ag+ = Ag+
+      log_k 0
+#     Enthalpy of formation: +105.790  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 = Al+3
+      log_k 0
+#     Enthalpy of formation: -538.400  kJ/mol  95POK/HEL
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 = Am+3
+      log_k 0
+#     Enthalpy of formation: -616.700  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+AsO4-3 = AsO4-3
+      log_k 0
+#     Enthalpy of formation: -888.140  kJ/mol  09RAN/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+B(OH)4- = B(OH)4-
+      log_k 0
+#     Enthalpy of formation: -1345.116 kJ/mol  99RAR/RAN
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ba+2 = Ba+2
+      log_k 0
+#     Enthalpy of formation: -534.800  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Be+2 = Be+2
+      log_k 0
+#     Enthalpy of formation: -382.800  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Br- = Br-
+      log_k 0
+#     Enthalpy of formation: -121.410  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 = Ca+2
+      log_k 0
+#     Enthalpy of formation: -543.000  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 = Cd+2
+      log_k 0
+#     Enthalpy of formation: -75.920   kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cit-3 = Cit-3
+      log_k 0
+#     Enthalpy of formation: -1519.920 kJ/mol  05HUM/AND
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cl- = Cl-
+      log_k 0
+#     Enthalpy of formation: -167.080  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cm+3 = Cm+3
+      log_k 0
+#     Enthalpy of formation: -615.000  kJ/mol  01KON2
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Co+2 = Co+2
+      log_k 0
+#     Enthalpy of formation: -57.600   kJ/mol  98PLY/ZHA1
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+CO3-2 = CO3-2
+      log_k 0
+#     Enthalpy of formation: -675.230  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+CrO4-2 = CrO4-2
+      log_k 0
+#     Enthalpy of formation: -879.000  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cs+ = Cs+
+      log_k 0
+#     Enthalpy of formation: -258.000  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Cu+2 = Cu+2
+      log_k 0
+#     Enthalpy of formation: +64.900   kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+e- = e-
+      log_k 0
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Edta-4 = Edta-4
+      log_k 0
+#     Enthalpy of formation: -1704.800 kJ/mol  05HUM/AND
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 = Eu+3
+      log_k 0
+#     Enthalpy of formation: -605.325  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+F- = F-
+      log_k 0
+#     Enthalpy of formation: -335.350  kJ/mol  95SIL/BID
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 = Fe+2
+      log_k 0
+#     Enthalpy of formation: -90.295   kJ/mol  13LEM/BER
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ = H+
+      log_k 0
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+H2(PO4)- = H2(PO4)-
+      log_k 0
+#     Enthalpy of formation: -1302.600 kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+H2O = H2O
+      log_k 0
+#     Enthalpy of formation: -285.830  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+H4(SiO4) = H4(SiO4)
+      log_k 0
+#     Enthalpy of formation: -1461.194 kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Hf+4 = Hf+4
+      log_k 0
+#     Enthalpy of formation: -628.910  kJ/mol  99VAS/LYT
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Hg+2 = Hg+2
+      log_k 0
+#     Enthalpy of formation: +170.210  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+HGlu- = HGlu-
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+HIsa- = HIsa-
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho+3 = Ho+3
+      log_k 0
+#     Enthalpy of formation: -707.042  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+I- = I-
+      log_k 0
+#     Enthalpy of formation: -56.780   kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+K+ = K+
+      log_k 0
+#     Enthalpy of formation: -252.140  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Li+ = Li+
+      log_k 0
+#     Enthalpy of formation: -278.470  kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Malonate-2 = Malonate-2
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 = Mg+2
+      log_k 0
+#     Enthalpy of formation: -467.000  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 = Mn+2
+      log_k 0
+#     Enthalpy of formation: -220.800  kJ/mol  95ROB/HEM
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+MoO4-2 = MoO4-2
+      log_k 0
+#     Enthalpy of formation: -997.000  kJ/mol  74OHA
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Na+ = Na+
+      log_k 0
+#     Enthalpy of formation: -240.340  kJ/mol  92GRE/FUG (89COX/WAG)
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Nb(OH)6- = Nb(OH)6-
+      log_k 0
+#     Enthalpy of formation: -1925.658 kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 = Ni+2
+      log_k 0
+#     Enthalpy of formation: -55.012   kJ/mol  05GAM/BUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+NO3- = NO3-
+      log_k 0
+#     Enthalpy of formation: -206.850  kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 = NpO2+2
+      log_k 0
+#     Enthalpy of formation: -860.733  kJ/mol  01LEM/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Nta-3 = Nta-3
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ox-2 = Ox-2
+      log_k 0
+#     Enthalpy of formation: -830.660  kJ/mol  05HUM/AND
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Pa+4 = Pa+4
+      log_k 0
+#     Enthalpy of formation: -620.000  kJ/mol  85BAR/PAR
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 = Pb+2
+      log_k 0
+#     Enthalpy of formation: +0.920    kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 = Pd+2
+      log_k 0
+#     Enthalpy of formation: +189.889  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Phthalat-2 = Phthalat-2
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 = PuO2+2
+      log_k 0
+#     Enthalpy of formation: -822.036  kJ/mol  01LEM/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Pyrophos-4 = Pyrophos-4
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Ra+2 = Ra+2
+      log_k 0
+#     Enthalpy of formation: -528.025  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Rb+ = Rb+
+      log_k 0
+#     Enthalpy of formation: -251.120  kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Sb(OH)3 = Sb(OH)3
+      log_k 0
+#     Enthalpy of formation: -773.893  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+SeO4-2 = SeO4-2
+      log_k 0
+#     Enthalpy of formation: -603.500  kJ/mol  05OLI/NOL
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 = Sm+3
+      log_k 0
+#     Enthalpy of formation: -691.198  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 = Sn+2
+      log_k 0
+#     Enthalpy of formation: -9.617    kJ/mol  12GAM/GAJ
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+SO4-2 = SO4-2
+      log_k 0
+#     Enthalpy of formation: -909.340  kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 = Sr+2
+      log_k 0
+#     Enthalpy of formation: -550.900  kJ/mol  84BUS/PLUS
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Suberate-2 = Suberate-2
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Succinat-2 = Succinat-2
+      log_k 0
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 = TcO(OH)2
+      log_k 0
+#     Enthalpy of formation: -749.243  kJ/mol
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 = Th+4
+      log_k 0
+#     Enthalpy of formation: -768.700  kJ/mol  09RAN/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 = UO2+2
+      log_k 0
+#     Enthalpy of formation: -1019.000 kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Zn+2 = Zn+2
+      log_k 0
+#     Enthalpy of formation: -153.390  kJ/mol  92GRE/FUG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Zr+4 = Zr+4
+      log_k 0
+#     Enthalpy of formation: -608.500  kJ/mol  05BRO/CUR
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + e- = Am+2
+      log_k -38.88 #95SIL/BID
+      delta_h 262.076 #kJ/mol
+#     Enthalpy of formation: -354.624  kJ/mol
+      -analytic 70.33744E-1 00E+0 -13.68918E+3 00E+0 00E+0
+
+Am+3 - e- = Am+4
+      log_k -44.21
+      delta_h 210.7 #kJ/mol
+#     Enthalpy of formation: -406.000  kJ/mol  95SIL/BID
+      -analytic -72.96945E-1 00E+0 -11.00563E+3 00E+0 00E+0
+
+- 4 H+ + Am+3 - 2 e- + 2 H2O = AmO2+
+      log_k -58.37
+      delta_h 384.1 #kJ/mol 95SIL/BID
+#     Enthalpy of formation: -804.260  kJ/mol
+      -analytic 89.21431E-1 00E+0 -20.06294E+3 00E+0 00E+0
+
+- 4 H+ + Am+3 - 3 e- + 2 H2O = AmO2+2
+      log_k -85.35
+      delta_h 537.6 #kJ/mol 95SIL/BID
+#     Enthalpy of formation: -650.760  kJ/mol
+      -analytic 88.33477E-1 00E+0 -28.0808E+3 00E+0 00E+0
+
+10 H+ + 8 e- + CO3-2 - 3 H2O = CH4
+      log_k 37.93
+      delta_h -270.166 #kJ/mol
+#     Enthalpy of formation: -87.906   kJ/mol  01SCH/SHO
+      -analytic -94.01051E-1 00E+0 14.11175E+3 00E+0 00E+0
+
+8 H+ + 4 e- + CrO4-2 - 4 H2O = Cr+2
+      log_k 67.22 #04CHI
+      delta_h -421.933 #kJ/mol
+#     Enthalpy of formation: -157.614  kJ/mol
+      -analytic -66.99489E-1 00E+0 22.0391E+3 00E+0 00E+0
+
+8 H+ + 3 e- + CrO4-2 - 4 H2O = Cr+3
+      log_k 73.62
+      delta_h -504.82 #kJ/mol
+#     Enthalpy of formation: -240.500  kJ/mol  04CHI
+      -analytic -14.82067E+0 00E+0 26.36859E+3 00E+0 00E+0
+
+Cu+2 + e- = Cu+
+      log_k 2.83 #80CIA/FER
+      delta_h 5.689 #kJ/mol
+#     Enthalpy of formation: +70.589   kJ/mol
+      -analytic 38.2667E-1 00E+0 -29.71572E+1 00E+0 00E+0
+
+Eu+3 + e- = Eu+2
+      log_k -5.97
+      delta_h 77.723 #kJ/mol
+#     Enthalpy of formation: -527.602  kJ/mol  92JOH/OEL
+      -analytic 76.46485E-1 00E+0 -40.59755E+2 00E+0 00E+0
+
+Fe+2 - e- = Fe+3
+      log_k -13.05
+      delta_h 40.239 #kJ/mol
+#     Enthalpy of formation: -50.056   kJ/mol  13LEM/BER
+      -analytic -60.0043E-1 00E+0 -21.01829E+2 00E+0 00E+0
+
+2 H+ + 2 e- = H2
+      log_k -3.08
+      delta_h -4.2 #kJ/mol
+#     Enthalpy of formation: -4.200    kJ/mol  82WAG/EVA
+      -analytic -38.15808E-1 00E+0 21.93813E+1 00E+0 00E+0
+
+5 H+ + 2 e- + AsO4-3 - H2O = H3(AsO3)
+      log_k 40.02
+      delta_h -139.89 #kJ/mol
+#     Enthalpy of formation: -742.200  kJ/mol  09RAN/FUG
+      -analytic 15.51232E+0 00E+0 73.06964E+2 00E+0 00E+0
+
+2 e- + 2 Hg+2 = Hg2+2
+      log_k 30.79
+      delta_h -173.6 #kJ/mol
+#     Enthalpy of formation: +166.820  kJ/mol  85BAR/PAR
+      -analytic 37.65855E-2 00E+0 90.6776E+2 00E+0 00E+0
+
+9 H+ + 8 e- + SO4-2 - 4 H2O = HS-
+      log_k 33.69
+      delta_h -250.28 #kJ/mol
+#     Enthalpy of formation: -16.300   kJ/mol  89COX/WAG
+      -analytic -10.15717E+0 00E+0 13.07303E+3 00E+0 00E+0
+
+9 H+ + 8 e- + SeO4-2 - 4 H2O = HSe-
+      log_k 81.57
+      delta_h -525.52 #kJ/mol
+#     Enthalpy of formation: +14.300   kJ/mol  05OLI/NOL
+      -analytic -10.49715E+0 00E+0 27.44982E+3 00E+0 00E+0
+
+- 6 H+ - 6 e- + I- + 3 H2O = IO3-
+      log_k -111.56
+      delta_h 694.57 #kJ/mol
+#     Enthalpy of formation: -219.700  kJ/mol  92GRE/FUG
+      -analytic 10.12344E+0 00E+0 -36.27992E+3 00E+0 00E+0
+
+9 H+ + 8 e- + NO3- - 3 H2O = NH3
+      log_k 109.9
+      delta_h -731.81 #kJ/mol
+#     Enthalpy of formation: -81.170   kJ/mol  95SIL/BID
+      -analytic -18.30761E+0 00E+0 38.2251E+3 00E+0 00E+0
+
+Np+4 + e- = Np+3
+      log_k 3.7
+      delta_h 28.838 #kJ/mol
+#     Enthalpy of formation: -527.184  kJ/mol  01LEM/FUG
+      -analytic 87.52201E-1 00E+0 -15.06314E+2 00E+0 00E+0
+
+NpO2+ + 4 H+ + e- - 2 H2O = Np+4
+      log_k 10.21
+      delta_h -149.501 #kJ/mol
+#     Enthalpy of formation: -556.022  kJ/mol  03GUI/FAN
+      -analytic -15.98145E+0 00E+0 78.08981E+2 00E+0 00E+0
+
+NpO2+2 + e- = NpO2+
+      log_k 19.59
+      delta_h -117.448 #kJ/mol
+#     Enthalpy of formation: -978.181  kJ/mol  01LEM/FUG
+      -analytic -98.60064E-2 00E+0 61.34736E+2 00E+0 00E+0
+
+- 4 H+ - 4 e- + 2 H2O = O2
+      log_k -85.99
+      delta_h 559.526 #kJ/mol
+#     Enthalpy of formation: -12.134   kJ/mol  89SHO/HEL (Uncertainty in order to cover available data)
+      -analytic 12.03475E+0 00E+0 -29.22608E+3 00E+0 00E+0
+
+- 4 H+ - e- + Pa+4 + 2 H2O = PaO2+
+      log_k 4.22 #85BAR/PAR, 76BAE/MES
+      -analytic 42.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + e- = Pu+3
+      log_k 17.69
+      delta_h -51.895 #kJ/mol
+#     Enthalpy of formation: -591.790  kJ/mol  01LEM/FUG
+      -analytic 85.98386E-1 00E+0 27.10665E+2 00E+0 00E+0
+
+PuO2+ + 4 H+ + e- - 2 H2O = Pu+4
+      log_k 17.45
+      delta_h -201.428 #kJ/mol
+#     Enthalpy of formation: -539.895  kJ/mol  01LEM/FUG
+      -analytic -17.83867E+0 00E+0 10.52132E+3 00E+0 00E+0
+
+PuO2+2 + e- = PuO2+
+      log_k 15.82
+      delta_h -88.091 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -910.127  kJ/mol
+      -analytic 38.71193E-2 00E+0 46.01313E+2 00E+0 00E+0
+
+10 H+ + 8 e- + 2 SO4-2 - 5 H2O = S2O3-2
+      log_k 38.57
+      delta_h -262.756 #kJ/mol
+#     Enthalpy of formation: -652.286  kJ/mol  04CHI
+      -analytic -74.62875E-1 00E+0 13.7247E+3 00E+0 00E+0
+
+8 H+ + 6 e- + 2 SO4-2 - 4 H2O = S2O4-2
+      log_k 10.7
+      delta_h -78.14 #kJ/mol
+#     Enthalpy of formation: -753.500  kJ/mol  82WAG/EVA
+      -analytic -29.8954E-1 00E+0 40.81536E+2 00E+0 00E+0
+
+- 2 H+ - 2 e- + Sb(OH)3 + 2 H2O = Sb(OH)5
+      log_k -21.74 #99LOT/OCH recalculated
+      -analytic -21.74E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 2 e- + SeO4-2 - H2O = SeO3-2
+      log_k 28.04 #05OLI/NOL
+      delta_h -189.49 #kJ/mol
+#     Enthalpy of formation: -507.160  kJ/mol  05OLI/NOL
+      -analytic -51.57223E-1 00E+0 98.97752E+2 00E+0 00E+0
+
+Sn+2 - 2 e- = Sn+4
+      log_k -12.98 #12GAM/GAJ; Eº = 0.384 VforSn2 + / Sn4 + reaction (I=0)
+      delta_h -21.894 #kJ/mol
+#     Enthalpy of formation: -31.511   kJ/mol
+      -analytic -16.81566E+0 00E+0 11.43603E+2 00E+0 00E+0
+
+2 H+ + 2 e- + SO4-2 - H2O = SO3-2
+      log_k -3.62
+      delta_h -7.55 #kJ/mol
+#     Enthalpy of formation: -631.060  kJ/mol  85GOL/PAR
+      -analytic -49.42703E-1 00E+0 39.4364E+1 00E+0 00E+0
+
+TcO(OH)2 - 4 H+ - 3 e- + H2O = TcO4-
+      log_k -30.17
+      delta_h 305.673 #kJ/mol
+#     Enthalpy of formation: -729.400  kJ/mol  99RAR/RAN
+      -analytic 23.38161E+0 00E+0 -15.96641E+3 00E+0 00E+0
+
+e- + TcO4- = TcO4-2
+      log_k -10.8 #20GRE/GAO
+      -analytic -10.8E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + e- = U+3
+      log_k -9.35 #92GRE/FUG
+      delta_h 102.1 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -489.100  kJ/mol
+      -analytic 85.37152E-1 00E+0 -53.33054E+2 00E+0 00E+0
+
+UO2+2 + 4 H+ + 2 e- - 2 H2O = U+4
+      log_k 9.04 #92GRE/FUG
+      delta_h -143.86 #kJ/mol
+#     Enthalpy of formation: -591.200  kJ/mol  92GRE/FUG
+      -analytic -16.16319E+0 00E+0 75.14331E+2 00E+0 00E+0
+
+UO2+2 + e- = UO2+
+      log_k 1.48
+      delta_h -6.127 #kJ/mol
+#     Enthalpy of formation: -1025.127 kJ/mol
+      -analytic 40.65957E-2 00E+0 32.00355E+1 00E+0 00E+0
+
+- 2 H+ + 2 CH4 + Hg+2 = (CH3)2Hg
+      log_k 19 #18BLA/BUR
+      -analytic 19E+0 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 2 CH4 + H2O + 2 Hg+2 = (CH3Hg)2OH+
+      log_k 3.85 #18BLA/BUR
+      -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0
+
+2 NpO2+2 - 2 H+ + 2 H2O = (NpO2)2(OH)2+2
+      log_k -6.27 #01LEM/FUG
+      delta_h 44.995 #kJ/mol
+#     Enthalpy of formation: -2248.130 kJ/mol
+      -analytic 16.12786E-1 00E+0 -23.50253E+2 00E+0 00E+0
+
+2 NpO2+2 - 3 H+ + CO3-2 + 3 H2O = (NpO2)2CO3(OH)3-
+      log_k -1.78 #20GRE/GAO
+      -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0
+
+3 NpO2+2 + 6 CO3-2 = (NpO2)3(CO3)6-6
+      log_k 51.43 #20GRE/GAO
+      -analytic 51.43E+0 00E+0 00E+0 00E+0 00E+0
+
+3 NpO2+2 - 5 H+ + 5 H2O = (NpO2)3(OH)5+
+      log_k -17.12 #01LEM/FUG
+      delta_h 110.665 #kJ/mol
+#     Enthalpy of formation: -3900.682 kJ/mol
+      -analytic 22.67676E-1 00E+0 -57.80436E+2 00E+0 00E+0
+
+2 PuO2+2 - 2 H+ + 2 H2O = (PuO2)2(OH)2+2
+      log_k -7.5 #01LEM/FUG
+      delta_h 43.583 #kJ/mol
+#     Enthalpy of formation: -2172.149 kJ/mol
+      -analytic 13.54138E-2 00E+0 -22.76499E+2 00E+0 00E+0
+
+3 PuO2+2 + 6 CO3-2 = (PuO2)3(CO3)6-6
+      log_k 51 #20GRE/GAO
+      -analytic 51E+0 00E+0 00E+0 00E+0 00E+0
+
+11 UO2+2 - 12 H+ + 6 CO3-2 + 12 H2O = (UO2)11(CO3)6(OH)12-2
+      log_k 36.4 #03GUI/FAN
+      -analytic 36.4E+0 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - H+ + Cit-3 + H2O = (UO2)2(Cit)(OH)
+      log_k 9.65 #12BER/CRE
+      -analytic 96.5E-1 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - 2 H+ + Cit-3 + 2 H2O = (UO2)2(Cit)(OH)2-
+      log_k 5.3 #12BER/CRE
+      -analytic 53E-1 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - 2 H+ + 2 Cit-3 + 2 H2O = (UO2)2(Cit)2(OH)2-4
+      log_k 9.29 #12BER/CRE
+      -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - H+ + 2 Cit-3 + H2O = (UO2)2(Cit)2(OH)-3
+      log_k 16.04 #12BER/CRE
+      -analytic 16.04E+0 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 + 2 Cit-3 = (UO2)2(Cit)2-2
+      log_k 21.3 #05HUM/AND
+      -analytic 21.3E+0 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)2(CO3)(OH)3-
+      log_k -0.86 #03GUI/FAN
+      -analytic -86E-2 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 + Edta-4 = (UO2)2(Edta)
+      log_k 20.6 #05HUM/AND
+      -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 + NpO2+2 + 6 CO3-2 = (UO2)2(NpO2)(CO3)6-6
+      log_k 53.59 #01LEM/FUG
+      -analytic 53.59E+0 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 - H+ + H2O = (UO2)2(OH)+3
+      log_k -2.7 #92GRE/FUG
+      delta_h 14.353 #kJ/mol
+#     Enthalpy of formation: -2309.477 kJ/mol
+      -analytic -18.54623E-2 00E+0 -74.97094E+1 00E+0 00E+0
+
+2 UO2+2 - 2 H+ + 2 H2O = (UO2)2(OH)2+2
+      log_k -5.62 #20GRE/GAO
+      delta_h 47.8 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2561.860 kJ/mol
+      -analytic 27.54201E-1 00E+0 -24.96768E+2 00E+0 00E+0
+
+3 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)3(CO3)(OH)3+
+      log_k 0.66 #03GUI/FAN
+      delta_h 81.131 #kJ/mol
+#     Enthalpy of formation: -4508.589 kJ/mol
+      -analytic 14.87354E+0 00E+0 -42.37767E+2 00E+0 00E+0
+
+3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6
+      log_k 54 #92GRE/FUG
+      delta_h -62.7 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -7171.080 kJ/mol
+      -analytic 43.01543E+0 00E+0 32.75049E+2 00E+0 00E+0
+
+3 UO2+2 - 4 H+ + 4 H2O = (UO2)3(OH)4+2
+      log_k -11.9 #92GRE/FUG
+      delta_h 99.2 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -4101.120 kJ/mol
+      -analytic 54.79094E-1 00E+0 -51.81577E+2 00E+0 00E+0
+
+3 UO2+2 - 5 H+ + 5 H2O = (UO2)3(OH)5+
+      log_k -15.55 #92GRE/FUG
+      delta_h 120.7 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -4365.450 kJ/mol
+      -analytic 55.95732E-1 00E+0 -63.046E+2 00E+0 00E+0
+
+3 UO2+2 - 7 H+ + 7 H2O = (UO2)3(OH)7-
+      log_k -32.2 #92SAN/BRU
+      delta_h 227.015 #kJ/mol
+#     Enthalpy of formation: -4830.794 kJ/mol
+      -analytic 75.71321E-1 00E+0 -11.85782E+3 00E+0 00E+0
+
+4 UO2+2 - 7 H+ + 7 H2O = (UO2)4(OH)7+
+      log_k -21.9 #92GRE/FUG
+      -analytic -21.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Ag+ + 2 CO3-2 = Ag(CO3)2-3
+      log_k 2.16 #97SVE/SHO
+      delta_h -28.115 #kJ/mol
+#     Enthalpy of formation: -1272.786 kJ/mol
+      -analytic -27.65537E-1 00E+0 14.68549E+2 00E+0 00E+0
+
+Ag+ + HS- = Ag(HS)
+      log_k 14.05 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data.
+      delta_h -78.811 #kJ/mol
+#     Enthalpy of formation: +10.679   kJ/mol
+      -analytic 24.29055E-2 00E+0 41.16585E+2 00E+0 00E+0
+
+Ag+ + 2 HS- = Ag(HS)2-
+      log_k 18.45 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data.
+      delta_h -105.805 #kJ/mol
+#     Enthalpy of formation: -32.615   kJ/mol
+      -analytic -86.24032E-3 00E+0 55.2658E+2 00E+0 00E+0
+
+Ag+ - H+ + H2O = Ag(OH)
+      log_k -12 #76BAE/MES
+      delta_h 47.198 #kJ/mol
+#     Enthalpy of formation: -132.842  kJ/mol
+      -analytic -37.31265E-1 00E+0 -24.65323E+2 00E+0 00E+0
+
+Ag+ - 2 H+ + 2 H2O = Ag(OH)2-
+      log_k -24 #76BAE/MES
+      delta_h 111.635 #kJ/mol
+#     Enthalpy of formation: -354.235  kJ/mol
+      -analytic -44.42388E-1 00E+0 -58.31102E+2 00E+0 00E+0
+
+Ag+ + S2O3-2 = Ag(S2O3)-
+      log_k 9.23 #74BEL/MAR in 82HÖG
+      delta_h -58.994 #kJ/mol 74BEL/MAR in 82HÖG
+#     Enthalpy of formation: -605.490  kJ/mol
+      -analytic -11.05305E-1 00E+0 30.81471E+2 00E+0 00E+0
+
+Ag+ + 2 S2O3-2 = Ag(S2O3)2-3
+      log_k 13.64 #72POU/RIG in 82HÖG
+      delta_h -86.918 #kJ/mol
+#     Enthalpy of formation: -1285.700 kJ/mol  82WAG/EVA
+      -analytic -15.8738E-1 00E+0 45.40043E+2 00E+0 00E+0
+
+Ag+ + SeO3-2 = Ag(SeO3)-
+      log_k +3.20 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
+      -analytic 32E-1 00E+0 00E+0 00E+0 00E+0
+
+Ag+ + SO3-2 = Ag(SO3)-
+      log_k 5.43
+      -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Ag+ + SO4-2 = Ag(SO4)-
+      log_k 1.38
+      delta_h 4.645 #kJ/mol
+#     Enthalpy of formation: -798.904  kJ/mol
+      -analytic 21.93769E-1 00E+0 -24.26252E+1 00E+0 00E+0
+
+Ag+ + Br- = AgBr
+      log_k 4.24 #91BAL/NOR, 68WAG
+      delta_h -23.129 #kJ/mol
+#     Enthalpy of formation: -38.748   kJ/mol
+      -analytic 18.79731E-2 00E+0 12.08112E+2 00E+0 00E+0
+
+Ag+ + 2 Br- = AgBr2-
+      log_k 7.28 #91BAL/NOR, 68WAG
+      delta_h -45.296 #kJ/mol
+#     Enthalpy of formation: -182.325  kJ/mol
+      -analytic -65.55186E-2 00E+0 23.65975E+2 00E+0 00E+0
+
+Ag+ + 3 Br- = AgBr3-2
+      log_k 8.71 #91BAL/NOR, 68WAG
+      delta_h -66.741 #kJ/mol
+#     Enthalpy of formation: -325.180  kJ/mol
+      -analytic -29.82521E-1 00E+0 34.86125E+2 00E+0 00E+0
+
+Ag+ + Cl- = AgCl
+      log_k 3.27 #91BAL/NOR; Uncertainty to include available data.
+      delta_h -17.1 #kJ/mol
+#     Enthalpy of formation: -78.390   kJ/mol
+      -analytic 27.42086E-2 00E+0 89.31952E+1 00E+0 00E+0
+
+Ag+ + 2 Cl- = AgCl2-
+      log_k 5.27 #91BAL/NOR; Uncertainty to include available data.
+      delta_h -28.754 #kJ/mol
+#     Enthalpy of formation: -257.124  kJ/mol
+      -analytic 23.25154E-2 00E+0 15.01926E+2 00E+0 00E+0
+
+Ag+ + 3 Cl- = AgCl3-2
+      log_k 5.29 #91BAL/NOR; Uncertainty to include available data.
+      delta_h -29.167 #kJ/mol
+#     Enthalpy of formation: -424.616  kJ/mol
+      -analytic 18.01609E-2 00E+0 15.23499E+2 00E+0 00E+0
+
+Ag+ + 4 Cl- = AgCl4-3
+      log_k 5.51 #91BAL/NOR; Uncertainty to include available data.
+      delta_h -26.099 #kJ/mol
+#     Enthalpy of formation: -588.628  kJ/mol
+      -analytic 93.76515E-2 00E+0 13.63246E+2 00E+0 00E+0
+
+Ag+ + CO3-2 = AgCO3-
+      log_k 2.69 #97SVE/SHO
+      delta_h -22.838 #kJ/mol
+#     Enthalpy of formation: -592.278  kJ/mol
+      -analytic -13.11046E-1 00E+0 11.92912E+2 00E+0 00E+0
+
+Ag+ + I- = AgI
+      log_k 6.58 #76SMI/MAR
+      delta_h -36.962 #kJ/mol
+#     Enthalpy of formation: +12.048   kJ/mol
+      -analytic 10.45356E-2 00E+0 19.3066E+2 00E+0 00E+0
+
+Ag+ + 2 I- = AgI2-
+      log_k 11.7 #76SMI/MAR
+      delta_h -76.578 #kJ/mol
+#     Enthalpy of formation: -84.347   kJ/mol
+      -analytic -17.1589E-1 00E+0 39.99948E+2 00E+0 00E+0
+
+Ag+ + 3 I- = AgI3-2
+      log_k 13.28
+      delta_h -114.914 #kJ/mol
+#     Enthalpy of formation: -179.463  kJ/mol
+      -analytic -68.52069E-1 00E+0 60.02376E+2 00E+0 00E+0
+
+Ag+ + NO3- = AgNO3
+      log_k -0.29 #91BAL/NOR, 68WAG; Uncertainty to include available data.
+      delta_h -0.74 #kJ/mol
+#     Enthalpy of formation: -101.800  kJ/mol  82WAG/EVA
+      -analytic -41.96424E-2 00E+0 38.65289E+0 00E+0 00E+0
+
+Al+3 + Cit-3 = Al(Cit)
+      log_k 9.9 #95AKR/BOU
+      -analytic 99E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + 2 Cit-3 + H2O = Al(Cit)2(OH)-4
+      log_k 10.19 #95AKR/BOU
+      -analytic 10.19E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + 2 Cit-3 = Al(Cit)2-3
+      log_k 14.13 #95AKR/BOU
+      -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + Edta-4 = Al(Edta)-
+      log_k 19.08 #95AKR/BOU
+      -analytic 19.08E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + H+ + Cit-3 = Al(HCit)+
+      log_k 12.9 #95AKR/BOU
+      -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + H+ + Edta-4 = Al(HEdta)
+      log_k 21.82 #95AKR/BOU
+      -analytic 21.82E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + HGlu- = Al(HGlu)+2
+      log_k 3.2 #08LAK/KIS
+      -analytic 32E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + H+ + Nta-3 = Al(HNta)+
+      log_k 15.13 #95AKR/BOU
+      -analytic 15.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + H+ + Ox-2 = Al(HOx)+2
+      log_k 7.5 #95AKR/BOU
+      -analytic 75E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + IO3- = Al(IO3)+2
+      log_k 2.46 #estimation NEA87 08/2/95
+      -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + 2 IO3- = Al(IO3)2+
+      log_k 4.3 #estimation NEA87 08/2/95
+      -analytic 43E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + Nta-3 = Al(Nta)
+      log_k 13.23 #95AKR/BOU
+      -analytic 13.23E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - 2 H+ + Nta-3 + 2 H2O = Al(Nta)(OH)2-2
+      log_k -0.3 #95AKR/BOU
+      -analytic -30E-2 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + 2 Nta-3 = Al(Nta)2-3
+      log_k 20.8 #95AKR/BOU
+      -analytic 20.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + Cit-3 + H2O = Al(OH)(Cit)-
+      log_k 8.1 #95AKR/BOU
+      -analytic 81E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + Edta-4 + H2O = Al(OH)(Edta)-2
+      log_k 13 #95AKR/BOU
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + HGlu- + H2O = Al(OH)(HGlu)+
+      log_k -0.39 #08LAK/KIS
+      -analytic -39E-2 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + 2 HGlu- + H2O = Al(OH)(HGlu)2
+      log_k 2.85 #08LAK/KIS
+      -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + Nta-3 + H2O = Al(OH)(Nta)-
+      log_k 6.79 #95AKR/BOU
+      -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - H+ + H2O = Al(OH)+2
+      log_k -4.95 #95POK/HEL
+      delta_h 49.759 #kJ/mol
+#     Enthalpy of formation: -774.471  kJ/mol
+      -analytic 37.67403E-1 00E+0 -25.99094E+2 00E+0 00E+0
+
+Al+3 - 2 H+ + Edta-4 + 2 H2O = Al(OH)2(Edta)-3
+      log_k 2.3 #95AKR/BOU
+      -analytic 23E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - 2 H+ + HGlu- + 2 H2O = Al(OH)2(HGlu)
+      log_k -4.85 #08LAK/KIS
+      -analytic -48.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - 2 H+ + 2 HGlu- + 2 H2O = Al(OH)2(HGlu)2-
+      log_k -2.6 #08LAK/KIS
+      -analytic -26E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - 2 H+ + 2 H2O = Al(OH)2+
+      log_k -10.58
+      delta_h 98.264 #kJ/mol
+#     Enthalpy of formation: -1011.796 kJ/mol  95POK/HEL
+      -analytic 66.35114E-1 00E+0 -51.32686E+2 00E+0 00E+0
+
+Al+3 - 2 H+ + F- + 2 H2O = Al(OH)2F
+      log_k -4.21
+      delta_h 118.636 #kJ/mol
+#     Enthalpy of formation: -1326.774 kJ/mol  01TAG/SCH
+      -analytic 16.57414E+0 00E+0 -61.9679E+2 00E+0 00E+0
+
+Al+3 - 2 H+ + 2 F- + 2 H2O = Al(OH)2F2-
+      log_k -1.99
+      delta_h 134.839 #kJ/mol
+#     Enthalpy of formation: -1645.921 kJ/mol  01TAG/SCH
+      -analytic 21.63278E+0 00E+0 -70.43131E+2 00E+0 00E+0
+
+Al+3 - 3 H+ + 3 H2O = Al(OH)3
+      log_k -16.42
+      delta_h 144.686 #kJ/mol
+#     Enthalpy of formation: -1251.204 kJ/mol  95POK/HEL
+      -analytic 89.27899E-1 00E+0 -75.57476E+2 00E+0 00E+0
+
+Al+3 - 3 H+ + HGlu- + 3 H2O = Al(OH)3(HGlu)-
+      log_k -11.11 #08LAK/KIS
+      -analytic -11.11E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 - 4 H+ + 4 H2O = Al(OH)4-
+      log_k -22.87
+      delta_h 180.881 #kJ/mol
+#     Enthalpy of formation: -1500.839 kJ/mol  95POK/HEL
+      -analytic 88.18991E-1 00E+0 -94.48073E+2 00E+0 00E+0
+
+Al+3 - 4 H+ + HGlu- + 4 H2O = Al(OH)4(HGlu)-2
+      log_k -20.47 #13PAL/TAS
+      -analytic -20.47E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + Ox-2 = Al(Ox)+
+      log_k 9.4 #95AKR/BOU
+      -analytic 94E-1 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + 2 Ox-2 = Al(Ox)2-
+      log_k 15.39 #95AKR/BOU
+      -analytic 15.39E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + 3 Ox-2 = Al(Ox)3-3
+      log_k 18.3 #95AKR/BOU
+      -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + SO4-2 = Al(SO4)+
+      log_k 3.17 #01TAG/SCH
+      delta_h 18.869 #kJ/mol
+#     Enthalpy of formation: -1428.870 kJ/mol
+      -analytic 64.75707E-1 00E+0 -98.55965E+1 00E+0 00E+0
+
+2 Al+3 - 2 H+ + 4 Ox-2 + 2 H2O = Al2(Ox)4(OH)2-4
+      log_k 22 #95AKR/BOU
+      -analytic 22E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Al+3 - 4 H+ + 3 Cit-3 + 4 H2O = Al3(Cit)3(OH)4-4
+      log_k 20.6 #95AKR/BOU
+      -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Al+3 - 3 H+ + 3 Ox-2 + 3 H2O = Al3(Ox)3(OH)3
+      log_k 16 #95AKR/BOU
+      -analytic 16E+0 00E+0 00E+0 00E+0 00E+0
+
+4 Al+3 - 4 H+ + 4 Ox-2 + 4 H2O = Al4(Ox)4(OH)4
+      log_k 21 #95AKR/BOU
+      -analytic 21E+0 00E+0 00E+0 00E+0 00E+0
+
+Al+3 + F- = AlF+2
+      log_k 6.98 #01TAG/SCH
+      delta_h -0.345 #kJ/mol
+#     Enthalpy of formation: -874.094  kJ/mol
+      -analytic 69.19559E-1 00E+0 18.02061E+0 00E+0 00E+0
+
+Al+3 + 2 F- = AlF2+
+      log_k 12.5 #01TAG/SCH
+      delta_h 74.869 #kJ/mol
+#     Enthalpy of formation: -1134.230 kJ/mol
+      -analytic 25.61649E+0 00E+0 -39.1068E+2 00E+0 00E+0
+
+Al+3 + 3 F- = AlF3
+      log_k 16.55 #01TAG/SCH
+      delta_h 0.616 #kJ/mol
+#     Enthalpy of formation: -1543.833 kJ/mol
+      -analytic 16.65792E+0 00E+0 -32.17592E+0 00E+0 00E+0
+
+Al+3 + 4 F- = AlF4-
+      log_k 18.93 #01TAG/SCH
+      delta_h 0.824 #kJ/mol
+#     Enthalpy of formation: -1878.974 kJ/mol
+      -analytic 19.07436E+0 00E+0 -43.04052E+0 00E+0 00E+0
+
+Al+3 - H+ + H4(SiO4) = AlH3SiO4+2
+      log_k -2.38 #01TAG/SCH
+      delta_h 77.382 #kJ/mol
+#     Enthalpy of formation: -1922.212 kJ/mol
+      -analytic 11.17674E+0 00E+0 -40.41943E+2 00E+0 00E+0
+
+Al+3 - H+ + 2 F- + H2O = AlOHF2
+      log_k 0.21
+      delta_h 139.337 #kJ/mol
+#     Enthalpy of formation: -1355.593 kJ/mol  01TAG/SCH
+      -analytic 24.62079E+0 00E+0 -72.78078E+2 00E+0 00E+0
+
+Am+3 + Acetate- = Am(Acetate)+2
+      log_k 2.94 #11RIC/GRI
+      -analytic 29.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 2 Acetate- = Am(Acetate)2+
+      log_k 5.07 #69MOS
+      -analytic 50.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 3 Acetate- = Am(Acetate)3
+      log_k 6.54 #69MOS
+      -analytic 65.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + Cit-3 = Am(Cit)
+      log_k 8.55 #05HUM/AND
+      -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 2 Cit-3 = Am(Cit)2-3
+      log_k 13.9 #05HUM/AND
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + CO3-2 = Am(CO3)+
+      log_k 7.9 #recalculated from 03GUI/FAN
+      delta_h 18.174 #kJ/mol
+#     Enthalpy of formation: -1273.757 kJ/mol
+      -analytic 11.08395E+0 00E+0 -94.92941E+1 00E+0 00E+0
+
+Am+3 + 2 CO3-2 = Am(CO3)2-
+      log_k 12.6 #recalculated from 03GUI/FAN
+      -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 3 CO3-2 = Am(CO3)3-3
+      log_k 14.6 #Recalculated from 03GUI/FAN
+      -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 - e- + 5 CO3-2 = Am(CO3)5-6
+# This reaction should be written with Am+4
+      log_k -5.1 #03GUI/FAN
+      -analytic -51E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + Edta-4 = Am(Edta)-
+      log_k 19.67 #05HUM/AND
+      delta_h -10.6 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2332.100 kJ/mol
+      -analytic 17.81296E+0 00E+0 55.36766E+1 00E+0 00E+0
+
+Am+3 + H2(PO4)- = Am(H2PO4)+2
+      log_k 2.46 #20GRE/GAO
+      -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Am+3 + Cit-3 = Am(HCit)+
+      log_k 12.86 #05HUM/AND
+      -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Am+3 + 2 Cit-3 = Am(HCit)2-
+      log_k 23.52 #05HUM/AND
+      -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Am+3 + CO3-2 = Am(HCO3)+2
+      log_k 13.43 #03GUI/FAN
+      -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Am+3 + Edta-4 = Am(HEdta)
+      log_k 21.84 #05HUM/AND
+      -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Am+3 + H2(PO4)- = Am(HPO4)+
+      log_k -1.74 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic -17.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Am+3 + 2 H2(PO4)- = Am(HPO4)2-
+      log_k -5.3 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic -53E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + NO3- = Am(NO3)+2
+      log_k 1.28 #20GRE/GAO
+      delta_h 1.8 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -821.750  kJ/mol
+      -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0
+
+Am+3 + 2 NO3- = Am(NO3)2+
+      log_k 0.88 #20GRE/GAO
+      delta_h 10.8 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1019.600 kJ/mol
+      -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0
+
+Am+3 + Nta-3 = Am(Nta)
+      log_k 13 #95AKR/BOU
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Am+3 + H2O = Am(OH)+2
+      log_k -7.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
+      delta_h 41.492 #kJ/mol
+#     Enthalpy of formation: -861.038  kJ/mol
+      -analytic 69.08637E-3 00E+0 -21.67278E+2 00E+0 00E+0
+
+- 2 H+ + Am+3 + HGlu- + 2 H2O = Am(OH)2(HGlu)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Am+3 + HIsa- + 2 H2O = Am(OH)2(HIsa)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Am+3 + 2 H2O = Am(OH)2+
+      log_k -15.1 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
+      delta_h 94.628 #kJ/mol
+#     Enthalpy of formation: -1093.732 kJ/mol
+      -analytic 14.78114E-1 00E+0 -49.42765E+2 00E+0 00E+0
+
+- 3 H+ + Am+3 + 3 H2O = Am(OH)3
+      log_k -26.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
+      delta_h 156.808 #kJ/mol
+#     Enthalpy of formation: -1317.382 kJ/mol
+      -analytic 12.71582E-1 00E+0 -81.90652E+2 00E+0 00E+0
+
+Am+3 + Ox-2 = Am(Ox)+
+      log_k 6.51 #05HUM/AND
+      -analytic 65.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 2 Ox-2 = Am(Ox)2-
+      log_k 10.71 #05HUM/AND
+      -analytic 10.71E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + 3 Ox-2 = Am(Ox)3-3
+      log_k 13 #05HUM/AND
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + Phthalat-2 = Am(Phthalat)+
+      log_k 4.93 #In analogy with Cm
+      -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Am+3 + H2(PO4)- = Am(PO4)
+      log_k -7.76 #1. Estimated by correlation with An(III) in function of ionic radii
+      -analytic -77.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + Am+3 + 2 H2(PO4)- = Am(PO4)2-3
+      log_k -19.41 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic -19.41E+0 00E+0 00E+0 00E+0 00E+0
+
+Am+3 + SO4-2 = Am(SO4)+
+      log_k 3.5 #20GRE/GAO
+      delta_h 40 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1486.040 kJ/mol
+      -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0
+
+Am+3 + 2 SO4-2 = Am(SO4)2-
+      log_k 5 #20GRE/GAO
+      delta_h 70 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2365.380 kJ/mol
+      -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0
+
+Am+3 + Cl- = AmCl+2
+      log_k 0.24 #20GRE/GAO
+      delta_h 19.39 #kJ/mol 00YEH/MAD
+#     Enthalpy of formation: -764.390  kJ/mol
+      -analytic 36.36982E-1 00E+0 -10.1281E+2 00E+0 00E+0
+
+Am+3 + 2 Cl- = AmCl2+
+      log_k -0.81 #20GRE/GAO
+      delta_h 54.9 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -895.960  kJ/mol
+      -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0
+
+Am+3 + F- = AmF+2
+      log_k 3.4 #20GRE/GAO
+      delta_h 12.1 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -939.950  kJ/mol
+      -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0
+
+Am+3 + 2 F- = AmF2+
+      log_k 5.8 #20GRE/GAO
+      delta_h 45.1 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1242.300 kJ/mol
+      -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0
+
+Am+3 + 3 F- = AmF3
+      log_k 10.82 #69AZI/LYL
+      delta_h 20.407 #kJ/mol
+#     Enthalpy of formation: -1602.342 kJ/mol
+      -analytic 14.39515E+0 00E+0 -10.65932E+2 00E+0 00E+0
+
+AmO2+ + CO3-2 = AmO2(CO3)-
+      log_k 5.1 #03GUI/FAN
+      -analytic 51E-1 00E+0 00E+0 00E+0 00E+0
+
+AmO2+ + 2 CO3-2 = AmO2(CO3)2-3
+      log_k 6.7 #03GUI/FAN
+      -analytic 67E-1 00E+0 00E+0 00E+0 00E+0
+
+AmO2+ + 3 CO3-2 = AmO2(CO3)3-5
+      log_k 5.1 #03GUI/FAN
+      -analytic 51E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + AmO2+ + 2 H2O = AmO2(OH)2-
+      log_k -23.6 #03GUI/FAN
+      -analytic -23.6E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + AmO2+ + H2O = AmO2OH
+      log_k -11.3 #03GUI/FAN
+      -analytic -11.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Am+3 + H4(SiO4) = AmSiO(OH)3+2
+      log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
+      delta_h 47.963 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2029.931 kJ/mol
+      -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0
+
+- 3 H+ + H3(AsO3) = AsO3-3
+      log_k -38.59 #79IVA/VOR
+      -analytic -38.59E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + B(OH)4- - H2O = B(OH)3
+      log_k 9.24
+      delta_h -13.514 #kJ/mol
+#     Enthalpy of formation: -1072.800 kJ/mol  01LEM/FUG
+      -analytic 68.72449E-1 00E+0 70.58854E+1 00E+0 00E+0
+
+2 H+ + 3 B(OH)4- - 7 H2O = B3O5-
+      log_k 20.9 #97CRO
+      -analytic 20.9E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 4 B(OH)4- - 9 H2O = B4O7-2
+      log_k 21.9 #97CRO
+      -analytic 21.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Ba+2 + CO3-2 = Ba(CO3)
+      log_k 2.71 #86BUS/PLU
+      delta_h 14.841 #kJ/mol 86BUS/PLU
+#     Enthalpy of formation: -1195.189 kJ/mol
+      -analytic 53.10032E-1 00E+0 -77.51994E+1 00E+0 00E+0
+
+Ba+2 + H+ + CO3-2 = Ba(HCO3)+
+      log_k 11.31 #86BUS/PLU
+      delta_h 8.56 #kJ/mol 86BUS/PLU
+#     Enthalpy of formation: -1201.470 kJ/mol
+      -analytic 12.80965E+0 00E+0 -44.71199E+1 00E+0 00E+0
+
+Ba+2 + NO3- = Ba(NO3)+
+      log_k -0.31
+      delta_h 6.819 #kJ/mol
+#     Enthalpy of formation: -734.831  kJ/mol
+      -analytic 88.46375E-2 00E+0 -35.61812E+1 00E+0 00E+0
+
+Ba+2 - H+ + H2O = Ba(OH)+
+      log_k -13.47 #76BAE/MES
+      delta_h 87.397 #kJ/mol
+#     Enthalpy of formation: -733.233  kJ/mol
+      -analytic 18.41297E-1 00E+0 -45.65063E+2 00E+0 00E+0
+
+Ba+2 + SO4-2 = Ba(SO4)
+      log_k 2.7 #76SMI/MAR; Uncertainty to include available data.
+      delta_h 7.367 #kJ/mol
+#     Enthalpy of formation: -1436.772 kJ/mol
+      -analytic 39.90643E-1 00E+0 -38.48052E+1 00E+0 00E+0
+
+2 Ba+2 + UO2+2 + 3 CO3-2 = Ba2UO2(CO3)3
+      log_k 29.75 #06DON/BRO
+      -analytic 29.75E+0 00E+0 00E+0 00E+0 00E+0
+
+Ba+2 + B(OH)4- = BaB(OH)4+
+      log_k 1.49 #80BAS
+      -analytic 14.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ba+2 + F- = BaF+
+      log_k 0.4
+      delta_h 6.698 #kJ/mol
+#     Enthalpy of formation: -863.452  kJ/mol  97SVE/SHO
+      -analytic 15.73439E-1 00E+0 -34.98609E+1 00E+0 00E+0
+
+Ba+2 + UO2+2 + 3 CO3-2 = BaUO2(CO3)3-2
+      log_k 25.6 #20GRE/GAO
+      -analytic 25.6E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + CO3-2 + H2O + Be+2 = Be(OH)(CO3)-
+      log_k 1.85 #87BRU/GRE
+      -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O + Be+2 = Be(OH)+
+      log_k -5.49 #17CAM/COL
+      -analytic -54.9E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 H2O + Be+2 = Be(OH)2
+      log_k -13.7 #20ÇEV/GAO
+      -analytic -13.7E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + CO3-2 + 2 H2O + Be+2 = Be(OH)2(CO3)-2
+      log_k -6.04 #87BRU/GRE
+      -analytic -60.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 H2O + Be+2 = Be(OH)3-
+      log_k -24.3 #20ÇEV/GAO
+      -analytic -24.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 4 H2O + Be+2 = Be(OH)4-2
+      log_k -37.6 #20ÇEV/GAO
+      -analytic -37.6E+0 00E+0 00E+0 00E+0 00E+0
+
+2 SO4-2 + Be+2 = Be(SO4)2-2
+      log_k 3.35 #67SEI/SAK
+      -analytic 33.5E-1 00E+0 00E+0 00E+0 00E+0
+
+3 SO4-2 + Be+2 = Be(SO4)3-4
+      log_k 4.58 #67SEI/SAK
+      -analytic 45.8E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O + 2 Be+2 = Be2(OH)+3
+      log_k -3.47 #87BRU
+      delta_h 20.42 #kJ/mol 67MES/BAE
+#     Enthalpy of formation: -1031.010 kJ/mol
+      -analytic 10.74304E-2 00E+0 -10.66611E+2 00E+0 00E+0
+
+- H+ + CO3-2 + H2O + 3 Be+2 = Be3(OH)(CO3)+3
+      log_k 9.47 #87BRU/GRE
+      -analytic 94.7E-1 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 CO3-2 + 3 H2O + 3 Be+2 = Be3(OH)3(CO3)3-3
+      log_k 9.04 #87BRU/GRE
+      -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 H2O + 3 Be+2 = Be3(OH)3+3
+      log_k -8.86 #87BRU
+      delta_h 66.944 #kJ/mol 67MES/BAE
+#     Enthalpy of formation: -1938.946 kJ/mol
+      -analytic 28.68085E-1 00E+0 -34.96729E+2 00E+0 00E+0
+
+- 4 H+ + 3 CO3-2 + 4 H2O + 3 Be+2 = Be3(OH)4(CO3)3-4
+      log_k 1.06 #87BRU/GRE
+      -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + CO3-2 + 4 H2O + 5 Be+2 = Be5(OH)4(CO3)+4
+      log_k 1.16 #87BRU/GREa
+      -analytic 11.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- 6 H+ + 6 H2O + 5 Be+2 = Be5(OH)6+4
+      log_k -19.5 #87BRU
+      -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0
+
+- 5 H+ + 2 CO3-2 + 5 H2O + 6 Be+2 = Be6(OH)5(CO3)2+3
+      log_k 8.91 #87BRU/GREa
+      -analytic 89.1E-1 00E+0 00E+0 00E+0 00E+0
+
+- 8 H+ + 8 H2O + 6 Be+2 = Be6(OH)8+4
+      log_k -26.3 #87BRU
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Cl- + Be+2 = BeCl+
+      log_k 0.19 #65MOR/JON
+      -analytic 19E-2 00E+0 00E+0 00E+0 00E+0
+
+CO3-2 + Be+2 = BeCO3
+      log_k 8.57 #87BRU/GRE
+      -analytic 85.7E-1 00E+0 00E+0 00E+0 00E+0
+
+F- + Be+2 = BeF+
+      log_k 5.52 #69MES/BAE
+      delta_h -1.464 #kJ/mol 69MES/BAE
+#     Enthalpy of formation: -719.614  kJ/mol
+      -analytic 52.63518E-1 00E+0 76.47005E+0 00E+0 00E+0
+
+2 F- + Be+2 = BeF2
+      log_k 9.67 #69MES/BAE
+      delta_h -6.318 #kJ/mol 69MES/BAE
+#     Enthalpy of formation: -1059.818 kJ/mol
+      -analytic 85.63134E-1 00E+0 33.00121E+1 00E+0 00E+0
+
+3 F- + Be+2 = BeF3-
+      log_k 12.44 #69MES/BAE
+      delta_h -7.531 #kJ/mol 69MES/BAE
+#     Enthalpy of formation: -1396.381 kJ/mol
+      -analytic 11.12063E+0 00E+0 39.33715E+1 00E+0 00E+0
+
+4 F- + Be+2 = BeF4-2
+      log_k 13.44 #69MES/BAE
+      delta_h -9.456 #kJ/mol 69MES/BAE
+#     Enthalpy of formation: -1733.656 kJ/mol
+      -analytic 11.78338E+0 00E+0 49.39213E+1 00E+0 00E+0
+
+SO4-2 + Be+2 = BeSO4
+      log_k 2.03 #62BEL/KOL
+      -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + F- + B(OH)4- - H2O = BF(OH)3-
+      log_k 8.94 #77NOR/JEN
+      delta_h -39.078 #kJ/mol 77NOR/JEN
+#     Enthalpy of formation: -1433.714 kJ/mol
+      -analytic 20.93828E-1 00E+0 20.41186E+2 00E+0 00E+0
+
+2 H+ + 2 F- + B(OH)4- - 2 H2O = BF2(OH)2-
+      log_k 16.97 #77NOR/JEN
+      delta_h -38.702 #kJ/mol 77NOR/JEN
+#     Enthalpy of formation: -1482.858 kJ/mol
+      -analytic 10.1897E+0 00E+0 20.21546E+2 00E+0 00E+0
+
+3 H+ + 3 F- + B(OH)4- - 3 H2O = BF3(OH)-
+      log_k 23.01 #77NOR/JEN
+      delta_h -38.326 #kJ/mol 77NOR/JEN
+#     Enthalpy of formation: -1532.002 kJ/mol
+      -analytic 16.29557E+0 00E+0 20.01906E+2 00E+0 00E+0
+
+4 H+ + 4 F- + B(OH)4- - 4 H2O = BF4-
+      log_k 29.62 #77NOR/JEN
+      delta_h 73.68 #kJ/mol 77NOR/JEN
+#     Enthalpy of formation: -1469.516 kJ/mol
+      -analytic 42.52818E+0 00E+0 -38.48574E+2 00E+0 00E+0
+
+Ca+2 + Acetate- = Ca(Acetate)+
+      log_k 1.12 #95DER/DIG
+      delta_h 0.143 #kJ/mol
+#     Enthalpy of formation: -1028.867 kJ/mol
+      -analytic 11.45053E-1 00E+0 -74.6941E-1 00E+0 00E+0
+
+Ca+2 + Adipate-2 = Ca(Adipate)
+      log_k 2.19 #04MAR/SMI from 40TOP/DAV
+      -analytic 21.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - 3 H+ + Am+3 + 3 H2O = Ca(Am(OH)3)+2
+      log_k -26.3 #07RAB/ALT
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + AsO4-3 = Ca(AsO4)-
+      log_k 5.77 #10MAR/ACC
+      -analytic 57.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Cit-3 = Ca(Cit)-
+      log_k 4.8 #05HUM/AND
+      delta_h 0 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2062.920 kJ/mol
+      -analytic 48E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - 3 H+ + Cm+3 + 3 H2O = Ca(Cm(OH)3)+2
+      log_k -26.3 #07RAB/ALT
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Edta-4 = Ca(Edta)-2
+      log_k 12.69 #05HUM/AND
+      delta_h -22.2 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2270.000 kJ/mol
+      -analytic 88.00727E-1 00E+0 11.59587E+2 00E+0 00E+0
+
+Ca+2 + Eu+3 - 3 H+ + 3 H2O = Ca(Eu(OH)3)+2
+      log_k -26.3 #07RAB/ALT
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 2 H+ + AsO4-3 = Ca(H2AsO4)+
+      log_k 19.87 #10MAR/ACC
+      -analytic 19.87E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 2 H+ + Cit-3 = Ca(H2Cit)+
+      log_k 12.67 #05HUM/AND
+      -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H2(PO4)- = Ca(H2PO4)+
+      log_k 1.41 #68CHU/MAR
+      delta_h 14.226 #kJ/mol 68CHU/MAR
+#     Enthalpy of formation: -1831.374 kJ/mol
+      -analytic 39.02288E-1 00E+0 -74.30757E+1 00E+0 00E+0
+
+Ca+2 - H+ + H4(SiO4) = Ca(H3SiO4)+
+      log_k -8.83 #97SVE/SHO
+      delta_h 31.633 #kJ/mol
+#     Enthalpy of formation: -1972.561 kJ/mol
+      -analytic -32.88136E-1 00E+0 -16.52307E+2 00E+0 00E+0
+
+Ca+2 + H+ + AsO4-3 = Ca(HAsO4)
+      log_k 13.9 #10MAR/ACC
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + Cit-3 = Ca(HCit)
+      log_k 9.28 #05HUM/AND
+      -analytic 92.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + CO3-2 = Ca(HCO3)+
+      log_k 11.43 #96BOU1
+      delta_h -23.595 #kJ/mol
+#     Enthalpy of formation: -1241.826 kJ/mol
+      -analytic 72.96333E-1 00E+0 12.32453E+2 00E+0 00E+0
+
+Ca+2 + H+ + Edta-4 = Ca(HEdta)-
+      log_k 16.23 #05HUM/AND
+      -analytic 16.23E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + HGlu- = Ca(HGlu)+
+      log_k 1.73 #52SCH/LIN
+      -analytic 17.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + HIsa- = Ca(HIsa)+
+      log_k 1.7 #05HUM/AND
+      -analytic 17E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + Malonate-2 = Ca(HMalonate)+
+      log_k 6.64 #13GRI/CAM
+      -analytic 66.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + Nta-3 = Ca(HNta)
+      log_k 13.4 #95AKR/BOU
+      -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 2 H+ + 2 Nta-3 = Ca(HNta)2-2
+      log_k 23.63 #95AKR/BOU
+      -analytic 23.63E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - 3 H+ + Ho+3 + 3 H2O = Ca(Ho(OH)3)+2
+      log_k -26.3 #07RAB/ALT
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + Phthalat-2 = Ca(HPhthalat)+
+      log_k 6.42 #85DAN/DER
+      -analytic 64.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - H+ + H2(PO4)- = Ca(HPO4)
+      log_k -4.47 #68CHU/MAR
+      delta_h 17.407 #kJ/mol 68CHU/MAR
+#     Enthalpy of formation: -1828.193 kJ/mol
+      -analytic -14.20425E-1 00E+0 -90.92309E+1 00E+0 00E+0
+
+Ca+2 + H+ + Pyrophos-4 = Ca(HPyrophos)-
+      log_k 13.8 #88CHA/NEW
+      -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + H+ + Succinat-2 = Ca(HSuccinat)+
+      log_k 6.79 #13GRI/CAM
+      -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + IO3- = Ca(IO3)+
+      log_k 0.4 #estimation NEA87 08/2/95
+      -analytic 40E-2 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - H+ + HIsa- = Ca(Isa)
+      log_k -10.4 #05HUM/AND
+      -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Malonate-2 = Ca(Malonate)
+      log_k 2.43 #13GRI/CAM
+      -analytic 24.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + NH3 = Ca(NH3)+2
+      log_k -0.1 #88CHA/NEW
+      -analytic -10E-2 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 2 NH3 = Ca(NH3)2+2
+      log_k -0.7 #88CHA/NEW
+      -analytic -70E-2 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 3 NH3 = Ca(NH3)3+2
+      log_k -1.5 #88CHA/NEW
+      -analytic -15E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 4 NH3 = Ca(NH3)4+2
+      log_k -2.6 #88CHA/NEW
+      -analytic -26E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + NpO2+ - 2 H+ + 2 H2O = Ca(NpO2(OH)2)+
+      log_k -20.6 #20GRE/GAO
+      -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Nta-3 = Ca(Nta)-
+      log_k 7.73 #95AKR/BOU
+      -analytic 77.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - H+ + HGlu- + H2O = Ca(OH)(HGlu)
+      log_k -10.4 #02TIT/WIE
+      -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - H+ + H2O = Ca(OH)+
+      log_k -12.78 #87GAR/PAR
+      delta_h 77.207 #kJ/mol
+#     Enthalpy of formation: -751.623  kJ/mol
+      -analytic 74.60858E-2 00E+0 -40.32802E+2 00E+0 00E+0
+
+Ca+2 + Ox-2 = Ca(Ox)
+      log_k 3.19 #05HUM/AND
+      delta_h 6.811 #kJ/mol
+#     Enthalpy of formation: -1366.849 kJ/mol
+      -analytic 43.83236E-1 00E+0 -35.57633E+1 00E+0 00E+0
+
+Ca+2 + 2 Ox-2 = Ca(Ox)2-2
+      log_k 4.02 #05HUM/AND
+      -analytic 40.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Phthalat-2 = Ca(Phthalat)
+      log_k 2.49 #85DAN/DER
+      -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 - 2 H+ + H2(PO4)- = Ca(PO4)-
+      log_k -13.1 #68CHU/MAR
+      delta_h 31.17 #kJ/mol 68CHU/MAR
+#     Enthalpy of formation: -1814.430 kJ/mol
+      -analytic -76.3925E-1 00E+0 -16.28122E+2 00E+0 00E+0
+
+Ca+2 + Pyrophos-4 = Ca(Pyrophos)-2
+      log_k 7.5 #88CHA/NEW
+      -analytic 75E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + S2O3-2 = Ca(S2O3)
+      log_k 1.35
+      delta_h 3.786 #kJ/mol
+#     Enthalpy of formation: -1191.500 kJ/mol  03-91 MINTEQL-PSI
+      -analytic 20.13279E-1 00E+0 -19.77566E+1 00E+0 00E+0
+
+Ca+2 + SeO4-2 = Ca(SeO4)
+      log_k 2 #05OLI/NOL
+      delta_h 1.475 #kJ/mol
+#     Enthalpy of formation: -1145.025 kJ/mol
+      -analytic 22.58409E-1 00E+0 -77.04462E+0 00E+0 00E+0
+
+Ca+2 + Sm+3 - 3 H+ + 3 H2O = Ca(Sm(OH)3)+2
+      log_k -26.3 #07RAB/ALT
+      -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + SO4-2 = Ca(SO4)
+      log_k 2.31 #53BEL/GEO
+      delta_h 4.292 #kJ/mol
+#     Enthalpy of formation: -1448.047 kJ/mol
+      -analytic 30.61926E-1 00E+0 -22.41868E+1 00E+0 00E+0
+
+Ca+2 + Succinat-2 = Ca(Succinat)
+      log_k 2.34 #13GRI/CAM
+      -analytic 23.4E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 - 4 H+ + Am+3 + 4 H2O = Ca2(Am(OH)4)+3
+      log_k -37.2 #07RAB/ALT
+      -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 - 4 H+ + Cm+3 + 4 H2O = Ca2(Cm(OH)4)+3
+      log_k -37.2 #07RAB/ALT
+      -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 + Eu+3 - 4 H+ + 4 H2O = Ca2(Eu(OH)4)+3
+      log_k -37.2 #07RAB/ALT
+      -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 - 4 H+ + Ho+3 + 4 H2O = Ca2(Ho(OH)4)+3
+      log_k -37.2 #07RAB/ALT
+      -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 + Sm+3 - 4 H+ + 4 H2O = Ca2(Sm(OH)4)+3
+      log_k -37.2 #07RAB/ALT
+      -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Ca+2 + UO2+2 + 3 CO3-2 = Ca2UO2(CO3)3
+      log_k 30.8 #20GRE/GAO
+      delta_h -47 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -4177.690 kJ/mol
+      -analytic 22.56595E+0 00E+0 24.54981E+2 00E+0 00E+0
+
+3 Ca+2 - 6 H+ + Am+3 + 6 H2O = Ca3(Am(OH)6)+3
+      log_k -60.7 #07RAB/ALT
+      -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ca+2 - 6 H+ + Cm+3 + 6 H2O = Ca3(Cm(OH)6)+3
+      log_k -60.7 #07RAB/ALT
+      -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ca+2 + Eu+3 - 6 H+ + 6 H2O = Ca3(Eu(OH)6)+3
+      log_k -60.7 #07RAB/ALT
+      -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ca+2 - 6 H+ + Ho+3 + 6 H2O = Ca3(Ho(OH)6)+3
+      log_k -60.7 #07RAB/ALT
+      -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ca+2 + NpO2+ - 5 H+ + 5 H2O = Ca3(NpO2(OH)5)+2
+      log_k -54.8 #20GRE/GAO
+      -analytic -54.8E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ca+2 + Sm+3 - 6 H+ + 6 H2O = Ca3(Sm(OH)6)+3
+      log_k -60.7 #07RAB/ALT
+      -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0
+
+4 Ca+2 + Pu+4 - 8 H+ + 8 H2O = Ca4Pu(OH)8+4
+      log_k -56.97 #20GRE/GAO
+      -analytic -56.97E+0 00E+0 00E+0 00E+0 00E+0
+
+4 Ca+2 + Th+4 - 8 H+ + 8 H2O = Ca4Th(OH)8+4
+      log_k -63.1 #08ALT/NEC
+      -analytic -63.1E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + B(OH)4- = CaB(OH)4+
+      log_k 1.8 #97CRO
+      -analytic 18E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + CO3-2 = CaCO3
+      log_k 3.22 #96BOU1
+      delta_h 14.83 #kJ/mol
+#     Enthalpy of formation: -1203.400 kJ/mol  96BOU1
+      -analytic 58.18104E-1 00E+0 -77.46248E+1 00E+0 00E+0
+
+Ca+2 + CrO4-2 = CaCrO4
+      log_k 2.77 #00PER/PAL
+      -analytic 27.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + F- = CaF+
+      log_k 0.94 #96BOU
+      delta_h 17.238 #kJ/mol 96BOU
+#     Enthalpy of formation: -861.112  kJ/mol
+      -analytic 39.59968E-1 00E+0 -90.04034E+1 00E+0 00E+0
+
+Ca+2 + I- = CaI+
+      log_k 0.14 #92JOH/OEL
+      -analytic 14E-2 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + 2 I- = CaI2
+      log_k -0.02 #92JOH/OEL
+      -analytic -20E-3 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Pu+4 - 4 H+ + HIsa- + 4 H2O = CaPu(OH)4(HIsa)+
+      log_k -1.66 #18TAS/GAO1
+      -analytic -16.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + Pu+4 - 5 H+ + HIsa- + 5 H2O = CaPu(OH)5(HIsa)
+      log_k -12.7 #18TAS/GAO1
+      -analytic -12.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Ca+2 + UO2+2 + 3 CO3-2 = CaUO2(CO3)3-2
+      log_k 27 #20GRE/GAO
+      delta_h -47 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -3634.690 kJ/mol
+      -analytic 18.76595E+0 00E+0 24.54981E+2 00E+0 00E+0
+
+Cd+2 + CO3-2 = Cd(CO3)
+      log_k 4.7 #91RAI/FEL1
+      delta_h 4.299 #kJ/mol
+#     Enthalpy of formation: -746.851  kJ/mol
+      -analytic 54.53152E-1 00E+0 -22.45524E+1 00E+0 00E+0
+
+Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+      log_k 6.5 #91RAI/FEL1
+      -analytic 65E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + H2(PO4)- = Cd(H2PO4)+
+      log_k 1.8 #01AYA/MAD
+      -analytic 18E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + H+ + CO3-2 = Cd(HCO3)+
+      log_k 11.83 #93STI/PAR
+      -analytic 11.83E+0 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + 2 HS- = Cd(HS)2
+      log_k 14.43 #99WAN/TES
+      -analytic 14.43E+0 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + NH3 = Cd(NH3)+2
+      log_k 2.52
+      -analytic 25.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + 2 NH3 = Cd(NH3)2+2
+      log_k 4.87
+      delta_h -27.965 #kJ/mol
+#     Enthalpy of formation: -266.225  kJ/mol
+      -analytic -29.2577E-3 00E+0 14.60714E+2 00E+0 00E+0
+
+Cd+2 + 3 NH3 = Cd(NH3)3+2
+      log_k 5.93 #ANDRA report (C RP 0ENQ 02-001, Interpolated
+      -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + 4 NH3 = Cd(NH3)4+2
+      log_k 7.3
+      delta_h -49.714 #kJ/mol
+#     Enthalpy of formation: -450.314  kJ/mol
+      -analytic -14.09519E-1 00E+0 25.96743E+2 00E+0 00E+0
+
+Cd+2 + NO3- = Cd(NO3)+
+      log_k 0.46 #74FED/ROB in 82HÖG
+      delta_h -21.757 #kJ/mol 74NAU/RYZ in 91BAL/NOR
+#     Enthalpy of formation: -304.527  kJ/mol
+      -analytic -33.51663E-1 00E+0 11.36447E+2 00E+0 00E+0
+
+Cd+2 + 2 NO3- = Cd(NO3)2
+      log_k 0.17 #97CRO
+      -analytic 17E-2 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 - H+ + H2O = Cd(OH)+
+      log_k -10.08 #81BAE/MES
+      delta_h 54.81 #kJ/mol 81BAE/MES
+#     Enthalpy of formation: -306.940  kJ/mol
+      -analytic -47.77002E-2 00E+0 -28.62926E+2 00E+0 00E+0
+
+Cd+2 - 2 H+ + 2 H2O = Cd(OH)2
+      log_k -20.9 #91RAI/FEL1
+      delta_h 114.9 #kJ/mol
+#     Enthalpy of formation: -532.680  kJ/mol
+      -analytic -77.03841E-2 00E+0 -60.01645E+2 00E+0 00E+0
+
+Cd+2 - 3 H+ + 3 H2O = Cd(OH)3-
+      log_k -33.3 #81BAE/MES
+      delta_h 156.416 #kJ/mol
+#     Enthalpy of formation: -776.994  kJ/mol
+      -analytic -58.97093E-1 00E+0 -81.70177E+2 00E+0 00E+0
+
+Cd+2 - 4 H+ + 4 H2O = Cd(OH)4-2
+      log_k -47.48 #91RAI/FEL1
+      delta_h 229.57 #kJ/mol
+#     Enthalpy of formation: -989.669  kJ/mol
+      -analytic -72.61062E-1 00E+0 -11.99128E+3 00E+0 00E+0
+
+Cd+2 + Pyrophos-4 = Cd(Pyrophos)-2
+      log_k 8.7 #92CLE/DER
+      -analytic 87E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + S2O3-2 = Cd(S2O3)
+      log_k 2.46
+      delta_h 5.405 #kJ/mol
+#     Enthalpy of formation: -722.801  kJ/mol  74NAU/RYZ
+      -analytic 34.06915E-1 00E+0 -28.23228E+1 00E+0 00E+0
+
+Cd+2 + SeO4-2 = Cd(SeO4)
+      log_k 2.27 #05OLI/NOL
+      delta_h 8.3 #kJ/mol 05OLI/NOL
+#     Enthalpy of formation: -671.120  kJ/mol
+      -analytic 37.24098E-1 00E+0 -43.35392E+1 00E+0 00E+0
+
+Cd+2 + SO4-2 = Cd(SO4)
+      log_k 2.37 #97MAR/SMI
+      delta_h 8.7 #kJ/mol 97MAR/SMI
+#     Enthalpy of formation: -976.560  kJ/mol
+      -analytic 38.94175E-1 00E+0 -45.44326E+1 00E+0 00E+0
+
+Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+      log_k 3.44 #76SMI/MAR
+      -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0
+
+4 Cd+2 - 4 H+ + 4 H2O = Cd4(OH)4+4
+      log_k -32.07
+      delta_h 172.135 #kJ/mol
+#     Enthalpy of formation: -1274.865 kJ/mol  99YUN/GLU
+      -analytic -19.13243E-1 00E+0 -89.91237E+2 00E+0 00E+0
+
+Cd+2 + Br- = CdBr+
+      log_k 2.16
+      delta_h -7.959 #kJ/mol
+#     Enthalpy of formation: -205.289  kJ/mol
+      -analytic 76.56431E-2 00E+0 41.57275E+1 00E+0 00E+0
+
+Cd+2 + 2 Br- = CdBr2
+      log_k 2.92
+      delta_h -15.743 #kJ/mol
+#     Enthalpy of formation: -334.482  kJ/mol
+      -analytic 16.19448E-2 00E+0 82.23142E+1 00E+0 00E+0
+
+Cd+2 + 3 Br- = CdBr3-
+      log_k 3.19
+      delta_h -28.846 #kJ/mol
+#     Enthalpy of formation: -468.995  kJ/mol
+      -analytic -18.63602E-1 00E+0 15.06732E+2 00E+0 00E+0
+
+Cd+2 + Cl- = CdCl+
+      log_k 1.97 #76BAE/MES
+      delta_h -5.52 #kJ/mol
+#     Enthalpy of formation: -248.520  kJ/mol
+      -analytic 10.02938E-1 00E+0 28.83297E+1 00E+0 00E+0
+
+Cd+2 + 2 Cl- = CdCl2
+      log_k 2.59 #76BAE/MES
+      delta_h -14.068 #kJ/mol
+#     Enthalpy of formation: -424.148  kJ/mol
+      -analytic 12.53922E-2 00E+0 73.48228E+1 00E+0 00E+0
+
+Cd+2 + 3 Cl- = CdCl3-
+      log_k 2.4 #76BAE/MES
+      delta_h -25.804 #kJ/mol
+#     Enthalpy of formation: -602.963  kJ/mol
+      -analytic -21.20667E-1 00E+0 13.47837E+2 00E+0 00E+0
+
+Cd+2 + 4 Cl- = CdCl4-2
+      log_k 1.47 #76BAE/MES
+      delta_h -44.765 #kJ/mol
+#     Enthalpy of formation: -789.004  kJ/mol
+      -analytic -63.72491E-1 00E+0 23.38239E+2 00E+0 00E+0
+
+Cd+2 - H+ + H2(PO4)- = CdHPO4
+      log_k -2.38 #01AYA/MAD
+      -analytic -23.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + HS- = CdHS+
+      log_k 7.38 #99WAN/TES
+      -analytic 73.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Cd+2 + I- = CdI+
+      log_k 2.09
+      delta_h -8.739 #kJ/mol
+#     Enthalpy of formation: -141.439  kJ/mol
+      -analytic 55.89929E-2 00E+0 45.64698E+1 00E+0 00E+0
+
+Cd+2 + 2 I- = CdI2
+      log_k 3.53
+      delta_h -18.988 #kJ/mol
+#     Enthalpy of formation: -208.468  kJ/mol
+      -analytic 20.34452E-2 00E+0 99.18123E+1 00E+0 00E+0
+
+Cd+2 + 3 I- = CdI3-
+      log_k 4.64
+      delta_h -38.648 #kJ/mol
+#     Enthalpy of formation: -284.907  kJ/mol
+      -analytic -21.30839E-1 00E+0 20.18726E+2 00E+0 00E+0
+
+Cd+2 + 4 I- = CdI4-2
+      log_k 5.48
+      delta_h -75.61 #kJ/mol
+#     Enthalpy of formation: -378.649  kJ/mol
+      -analytic -77.66303E-1 00E+0 39.49385E+2 00E+0 00E+0
+
+- H+ + CH4 = CH3-
+      log_k -46 #18BLA/BUR
+      -analytic -46E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + CH4 + Hg+2 = CH3Hg+
+      log_k 3 #18BLA/BUR
+      -analytic 30E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Cl- + CH4 + Hg+2 = CH3HgCl
+      log_k 8.45 #18BLA/BUR
+      -analytic 84.5E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + CO3-2 + CH4 + Hg+2 = CH3HgCO3-
+      log_k 9.1 #18BLA/BUR
+      -analytic 91E-1 00E+0 00E+0 00E+0 00E+0
+
+CO3-2 + CH4 + Hg+2 = CH3HgHCO3
+      log_k 15.93 #18BLA/BUR
+      -analytic 15.93E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + CH4 + H2O + Hg+2 = CH3HgOH
+      log_k -1.53 #18BLA/BUR
+      -analytic -15.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + HS- + CH4 + Hg+2 = CH3HgS-
+      log_k 7 #18BLA/BUR
+      -analytic 70E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + HS- + CH4 + Hg+2 = CH3HgSH
+      log_k 17.5 #18BLA/BUR
+      -analytic 17.5E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + SO4-2 + CH4 + Hg+2 = CH3HgSO4-
+      log_k 5.64 #18BLA/BUR
+      -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 e- + 2 Cl- = Cl2
+      log_k -47.21
+      delta_h 310.76 #kJ/mol
+#     Enthalpy of formation: -23.400   kJ/mol  82WAG/EVA
+      -analytic 72.32815E-1 00E+0 -16.23213E+3 00E+0 00E+0
+
+- 8 H+ - 8 e- + Cl- + 4 H2O = ClO4-
+      log_k -187.79
+      delta_h 1182.3 #kJ/mol
+#     Enthalpy of formation: -128.100  kJ/mol  89COX/WAG
+      -analytic 19.34007E+0 00E+0 -61.75583E+3 00E+0 00E+0
+
+Cm+3 + Acetate- = Cm(Acetate)+2
+      log_k 3.01 #11RIC/GRI
+      -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Cm+3 + 2 Acetate- = Cm(Acetate)2+
+      log_k 4.96 #12GRI/GAR2
+      -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Cm+3 + 3 Acetate- = Cm(Acetate)3
+      log_k 6.3 #69MOS
+      -analytic 63E-1 00E+0 00E+0 00E+0 00E+0
+
+Cit-3 + Cm+3 = Cm(Cit)
+      log_k 8.55 #Analogy with Am
+      -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Cit-3 + Cm+3 = Cm(Cit)2-3
+      log_k 13.9 #Analogy with Am
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
+
+CO3-2 + Cm+3 = Cm(CO3)+
+      log_k 7.9 #06DUR/CER
+      delta_h 16.981 #kJ/mol
+#     Enthalpy of formation: -1273.250 kJ/mol
+      -analytic 10.87494E+0 00E+0 -88.69794E+1 00E+0 00E+0
+
+2 CO3-2 + Cm+3 = Cm(CO3)2-
+      log_k 12.6 #06DUR/CER
+      -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0
+
+3 CO3-2 + Cm+3 = Cm(CO3)3-3
+      log_k 14.6 #06DUR/CER
+      -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Edta-4 + Cm+3 = Cm(Edta)-
+      log_k 19.67 #Analogy with Am(Edta)-
+      -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0
+
+H2(PO4)- + Cm+3 = Cm(H2PO4)+2
+      log_k 2.46 #20GRE/GAO
+      -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Cit-3 + Cm+3 = Cm(HCit)+
+      log_k 12.86 #Analogy with Am
+      -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 2 Cit-3 + Cm+3 = Cm(HCit)2-
+      log_k 23.52 #Analogy with Am
+      -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Edta-4 + Cm+3 = Cm(HEdta)
+      log_k 21.84 #Analogy with Am(HEdta)
+      -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2(PO4)- + Cm+3 = Cm(HPO4)+
+      log_k -1.69 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -16.9E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 H2(PO4)- + Cm+3 = Cm(HPO4)2-
+      log_k -5.19 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -51.9E-1 00E+0 00E+0 00E+0 00E+0
+
+NO3- + Cm+3 = Cm(NO3)+2
+      log_k 1.28 #20GRE/GAO
+      delta_h 1.8 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -820.050  kJ/mol
+      -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0
+
+2 NO3- + Cm+3 = Cm(NO3)2+
+      log_k 0.88 #20GRE/GAO
+      delta_h 10.8 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1017.900 kJ/mol
+      -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0
+
+Nta-3 + Cm+3 = Cm(Nta)
+      log_k 13 #Analogy with Am(Nta)(aq)
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Cm+3 + H2O = Cm(OH)+2
+      log_k -7.2 #03GUI/FAN
+      delta_h 38.51 #kJ/mol
+#     Enthalpy of formation: -862.320  kJ/mol
+      -analytic -45.33376E-2 00E+0 -20.11517E+2 00E+0 00E+0
+
+- 2 H+ + HGlu- + Cm+3 + 2 H2O = Cm(OH)2(HGlu)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + HIsa- + Cm+3 + 2 H2O = Cm(OH)2(HIsa)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Cm+3 + 2 H2O = Cm(OH)2+
+      log_k -15.1 #03GUI/FAN
+      delta_h 91.646 #kJ/mol
+#     Enthalpy of formation: -1095.013 kJ/mol
+      -analytic 95.569E-2 00E+0 -47.87004E+2 00E+0 00E+0
+
+- 3 H+ + Cm+3 + 3 H2O = Cm(OH)3
+      log_k -26.2 #03GUI/FAN
+      delta_h 153.826 #kJ/mol
+#     Enthalpy of formation: -1318.663 kJ/mol
+      -analytic 74.91584E-2 00E+0 -80.34892E+2 00E+0 00E+0
+
+Ox-2 + Cm+3 = Cm(Ox)+
+      log_k 6.48 #95AKR/BOU
+      -analytic 64.8E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Ox-2 + Cm+3 = Cm(Ox)2-
+      log_k 10.4 #95AKR/BOU
+      -analytic 10.4E+0 00E+0 00E+0 00E+0 00E+0
+
+3 Ox-2 + Cm+3 = Cm(Ox)3-3
+      log_k 12.84 #95AKR/BOU
+      -analytic 12.84E+0 00E+0 00E+0 00E+0 00E+0
+
+Cm+3 + Phthalat-2 = Cm(Phthalat)+
+      log_k 4.93 #11GRI/COL2 from 95PAN/KLE
+      -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + H2(PO4)- + Cm+3 = Cm(PO4)
+      log_k -7.65 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic -76.5E-1 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 2 H2(PO4)- + Cm+3 = Cm(PO4)2-3
+      log_k -19.2 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -19.2E+0 00E+0 00E+0 00E+0 00E+0
+
+SO4-2 + Cm+3 = Cm(SO4)+
+      log_k 3.5 #20GRE/GAO
+      delta_h 40 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1484.340 kJ/mol
+      -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0
+
+2 SO4-2 + Cm+3 = Cm(SO4)2-
+      log_k 5 #20GRE/GAO
+      delta_h 70 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2363.680 kJ/mol
+      -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0
+
+Cl- + Cm+3 = CmCl+2
+      log_k 0.24 #20GRE/GAO
+      delta_h 44.483 #kJ/mol
+#     Enthalpy of formation: -737.597  kJ/mol
+      -analytic 80.33087E-1 00E+0 -23.23509E+2 00E+0 00E+0
+
+2 Cl- + Cm+3 = CmCl2+
+      log_k -0.81 #20GRE/GAO
+      delta_h 54.9 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -894.260  kJ/mol
+      -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0
+
+F- + Cm+3 = CmF+2
+      log_k 3.4 #20GRE/GAO
+      delta_h 12.1 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -938.250  kJ/mol
+      -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0
+
+2 F- + Cm+3 = CmF2+
+      log_k 5.8 #20GRE/GAO
+      delta_h 45.1 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1240.600 kJ/mol
+      -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0
+
+3 F- + Cm+3 = CmF3
+      log_k 11.18 #69AZI/LYL
+      delta_h 15.371 #kJ/mol
+#     Enthalpy of formation: -1605.678 kJ/mol
+      -analytic 13.87288E+0 00E+0 -80.28832E+1 00E+0 00E+0
+
+H+ + CO3-2 + Cm+3 = CmHCO3+2
+      log_k 13.43 #03GUI/FAN, same as Am
+      -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H4(SiO4) + Cm+3 = CmSiO(OH)3+2
+      log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
+      delta_h 47.963 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2028.231 kJ/mol
+      -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0
+
+4 H+ + 2 e- + CO3-2 - 2 H2O = CO
+      log_k 11.6
+      delta_h -17.39 #kJ/mol
+#     Enthalpy of formation: -120.960  kJ/mol  82WAG/EVA
+      -analytic 85.53403E-1 00E+0 90.8343E+1 00E+0 00E+0
+
+Co+2 + 2 HS- = Co(HS)2
+      log_k 8.77 #66KHO; Uncertainty to include available data.
+      -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Co+2 - H+ + H2O = Co(OH)+
+      log_k -9.23 #98PLY/ZHA1
+      delta_h 45.962 #kJ/mol
+#     Enthalpy of formation: -297.468  kJ/mol
+      -analytic -11.77803E-1 00E+0 -24.00762E+2 00E+0 00E+0
+
+Co+2 - 2 H+ + 2 H2O = Co(OH)2
+      log_k -18.6 #98PLY/ZHA1
+      delta_h 105.707 #kJ/mol
+#     Enthalpy of formation: -523.552  kJ/mol
+      -analytic -80.92855E-3 00E+0 -55.21461E+2 00E+0 00E+0
+
+Co+2 - 3 H+ + 3 H2O = Co(OH)3-
+      log_k -31.7 #98PLY/ZHA1
+      delta_h 160.297 #kJ/mol
+#     Enthalpy of formation: -754.792  kJ/mol
+      -analytic -36.17171E-1 00E+0 -83.72895E+2 00E+0 00E+0
+
+Co+2 - 4 H+ + 4 H2O = Co(OH)4-2
+      log_k -46.42 #98PLY/ZHA1
+      delta_h 214.483 #kJ/mol
+#     Enthalpy of formation: -986.435  kJ/mol
+      -analytic -88.44191E-1 00E+0 -11.20323E+3 00E+0 00E+0
+
+Co+2 + SeO4-2 = Co(SeO4)
+      log_k 2.7 #05OLI/NOL
+      delta_h -3.617 #kJ/mol
+#     Enthalpy of formation: -664.716  kJ/mol
+      -analytic 20.66329E-1 00E+0 18.89291E+1 00E+0 00E+0
+
+2 H+ + CO3-2 - H2O = CO2
+      log_k 16.68
+      delta_h -23.86 #kJ/mol
+#     Enthalpy of formation: -413.260  kJ/mol  89COX/WAG
+      -analytic 12.49991E+0 00E+0 12.46295E+2 00E+0 00E+0
+
+2 Co+2 - H+ + H2O = Co2(OH)+3
+      log_k -9.83 #98PLY/ZHA1
+      delta_h 30.03 #kJ/mol
+#     Enthalpy of formation: -371.000  kJ/mol  98PLY/ZHA1
+      -analytic -45.6897E-1 00E+0 -15.68576E+2 00E+0 00E+0
+
+4 Co+2 - 4 H+ + 4 H2O = Co4(OH)4+4
+      log_k -29.88 #98PLY/ZHA1
+      delta_h 149.72 #kJ/mol
+#     Enthalpy of formation: -1224.000 kJ/mol  98PLY/ZHA1
+      -analytic -36.50182E-1 00E+0 -78.2042E+2 00E+0 00E+0
+
+Co+2 + Cl- = CoCl+
+      log_k 0.57 #81TUR/WHI; Uncertainty to include available data.
+      delta_h -2.18 #kJ/mol
+#     Enthalpy of formation: -226.859  kJ/mol
+      -analytic 18.80804E-2 00E+0 11.38693E+1 00E+0 00E+0
+
+Co+2 + 2 Cl- = CoCl2
+      log_k 0.02 #06BLA/IGN; Uncertainty from 89PAN/SUS
+      delta_h 4.074 #kJ/mol 06BLA/IGN
+#     Enthalpy of formation: -387.686  kJ/mol
+      -analytic 73.37342E-2 00E+0 -21.27998E+1 00E+0 00E+0
+
+Co+2 + 3 Cl- = CoCl3-
+      log_k -1.71 #06BLA/IGN; Uncertainty 89PAN/SUS
+      delta_h 6.688 #kJ/mol 06BLA/IGN
+#     Enthalpy of formation: -552.152  kJ/mol
+      -analytic -53.83127E-2 00E+0 -34.93386E+1 00E+0 00E+0
+
+Co+2 + 4 Cl- = CoCl4-2
+      log_k -2.09 #06BLA/IGN
+      delta_h 22.57 #kJ/mol 06BLA/IGN
+#     Enthalpy of formation: -703.350  kJ/mol
+      -analytic 18.64094E-1 00E+0 -11.78913E+2 00E+0 00E+0
+
+Co+2 + CO3-2 = CoCO3
+      log_k 4.23 #97MAR/SMI; Uncertainty to include available data.
+      -analytic 42.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Co+2 + F- = CoF+
+      log_k 1.5 #97MAR/SMI
+      delta_h -0.631 #kJ/mol
+#     Enthalpy of formation: -393.580  kJ/mol
+      -analytic 13.89454E-1 00E+0 32.95943E+0 00E+0 00E+0
+
+Co+2 + H+ + CO3-2 = CoHCO3+
+      log_k 12.22 #97MAR/SMI; Uncertainty to include available data.
+      -analytic 12.22E+0 00E+0 00E+0 00E+0 00E+0
+
+Co+2 - H+ + H2(PO4)- = CoHPO4
+      log_k -4.15 #97MAR/SMI; Uncertainty to include available data and is preliminary.
+      -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Co+2 + HS- = CoHS+
+      log_k 5.67 #66KHO; Uncertainty to include available data.
+      -analytic 56.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Co+2 + S2O3-2 = CoS2O3
+      log_k 2.05 #51DEN/MON
+      -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Co+2 + SO4-2 = CoSO4
+      log_k 2.3 #97MAR/SMI; Uncertainty to include available data.
+      delta_h 2.092 #kJ/mol 74NAU/RYZ
+#     Enthalpy of formation: -964.848  kJ/mol
+      -analytic 26.66503E-1 00E+0 -10.92728E+1 00E+0 00E+0
+
+H2(PO4)- + Cr+3 = Cr(H2PO4)+2
+      log_k 2.56 #66LAH/ADI
+      -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2(PO4)- + Cr+3 = Cr(HPO4)+
+      log_k 2.25 #76ALE/MAS
+      -analytic 22.5E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + 2 CO3-2 + Cr+3 + H2O = Cr(OH)(CO3)2-2
+      log_k 9.73 #07RAI/MOO
+      -analytic 97.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Cr+2 + H2O = Cr(OH)+
+      log_k -5.3 #83MIC/DEB, 04CHI
+      delta_h 30.327 #kJ/mol
+#     Enthalpy of formation: -413.117  kJ/mol
+      -analytic 13.06233E-3 00E+0 -15.8409E+2 00E+0 00E+0
+
+- H+ + Cr+3 + H2O = Cr(OH)+2
+      log_k -3.42 #04RAI/MOO
+      delta_h 37.222 #kJ/mol
+#     Enthalpy of formation: -489.108  kJ/mol
+      -analytic 31.01014E-1 00E+0 -19.4424E+2 00E+0 00E+0
+
+- 2 H+ + Cr+3 + 2 H2O = Cr(OH)2+
+      log_k -8.9 #11GRI/COL4
+      delta_h 93.198 #kJ/mol
+#     Enthalpy of formation: -718.961  kJ/mol
+      -analytic 74.27589E-1 00E+0 -48.68071E+2 00E+0 00E+0
+
+- 3 H+ + Cr+3 + 3 H2O = Cr(OH)3
+      log_k -14.34 #04RAI/MOO
+      delta_h 143.704 #kJ/mol
+#     Enthalpy of formation: -954.285  kJ/mol
+      -analytic 10.83586E+0 00E+0 -75.06183E+2 00E+0 00E+0
+
+- 3 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)-
+      log_k -11.56 #04RAI/MOO
+      -analytic -11.56E+0 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 2 H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)2-2
+      log_k -10.86 #04RAI/MOO
+      -analytic -10.86E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(HPO4)-2
+      log_k -19.58 #04RAI/MOO
+      -analytic -19.58E+0 00E+0 00E+0 00E+0 00E+0
+
+- 5 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(PO4)-3
+      log_k -30.24 #98ZIE/JON
+      -analytic -30.24E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + Cr+3 + 4 H2O = Cr(OH)4-
+      log_k -25.86 #04RAI/MOO
+      delta_h 193.614 #kJ/mol
+#     Enthalpy of formation: -1190.205 kJ/mol
+      -analytic 80.59717E-1 00E+0 -10.11316E+3 00E+0 00E+0
+
+- 4 H+ + CO3-2 + Cr+3 + 4 H2O = Cr(OH)4(CO3)-3
+      log_k -25.69 #07RAI/MOO
+      -analytic -25.69E+0 00E+0 00E+0 00E+0 00E+0
+
+- 5 H+ + 2 H2(PO4)- + Cr+3 + 4 H2O = Cr(OH)4(HPO4)(H2PO4)-4
+      log_k -28.76 #98ZIE/JON
+      delta_h 14 #kJ/mol 98ZIE/JON
+#     Enthalpy of formation: -3975.020 kJ/mol
+      -analytic -26.30731E+0 00E+0 -73.12709E+1 00E+0 00E+0
+
+- H+ + 2 Cl- + Cr+3 + H2O = Cr(OH)Cl2
+      log_k -5.73
+      delta_h 32.72 #kJ/mol
+#     Enthalpy of formation: -827.770  kJ/mol  76DEL/HEP
+      -analytic 22.97936E-4 00E+0 -17.09085E+2 00E+0 00E+0
+
+- H+ + CO3-2 + Cr+3 + H2O = Cr(OH)CO3
+      log_k 4 #07RAI/MOO
+      -analytic 40E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 Cr+3 + 2 H2O = Cr2(OH)2+4
+      log_k -4 #11GRI/COL4
+      -analytic -40E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 2 CrO4-2 - H2O = Cr2O7-2
+      log_k 14.75 #87PAL/WES, 04CHI
+      delta_h -3.752 #kJ/mol
+#     Enthalpy of formation: -1475.923 kJ/mol
+      -analytic 14.09268E+0 00E+0 19.59806E+1 00E+0 00E+0
+
+- 4 H+ + 3 Cr+3 + 4 H2O = Cr3(OH)4+5
+      log_k -7.6 #11GRI/COL4
+      -analytic -76E-1 00E+0 00E+0 00E+0 00E+0
+
+Br- + Cr+3 = CrBr+2
+      log_k -0.62
+      delta_h 22.588 #kJ/mol
+#     Enthalpy of formation: -339.322  kJ/mol  76DEL/HEP
+      -analytic 33.37248E-1 00E+0 -11.79853E+2 00E+0 00E+0
+
+Cl- + Cr+2 = CrCl+
+      log_k 5.6 #91ALL/BRO
+      delta_h -20.2 #kJ/mol 91ALL/BRO
+#     Enthalpy of formation: -344.894  kJ/mol
+      -analytic 20.61112E-1 00E+0 10.55119E+2 00E+0 00E+0
+
+Cl- + Cr+3 = CrCl+2
+      log_k 0.62 #64SIL/MAR
+      delta_h 20.92 #kJ/mol 64SIL/MAR
+#     Enthalpy of formation: -386.660  kJ/mol
+      -analytic 42.85027E-1 00E+0 -10.92728E+2 00E+0 00E+0
+
+2 Cl- + Cr+3 = CrCl2+
+      log_k -0.71 #64SIL/MAR
+      delta_h 20.92 #kJ/mol 64SIL/MAR
+#     Enthalpy of formation: -553.740  kJ/mol
+      -analytic 29.55027E-1 00E+0 -10.92728E+2 00E+0 00E+0
+
+F- + Cr+3 = CrF+2
+      log_k 5.21 #81TUR/WHI
+      delta_h -2.51 #kJ/mol 53HEP/JOL
+#     Enthalpy of formation: -578.360  kJ/mol
+      -analytic 47.70267E-1 00E+0 13.11064E+1 00E+0 00E+0
+
+2 F- + Cr+3 = CrF2+
+      log_k 9.31 #81TUR/WHI
+      delta_h -0.418 #kJ/mol 53HEP/JOL
+#     Enthalpy of formation: -911.618  kJ/mol
+      -analytic 92.3677E-1 00E+0 21.83366E+0 00E+0 00E+0
+
+3 F- + Cr+3 = CrF3
+      log_k 11.91 #81TUR/WHI
+      -analytic 11.91E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Cl- + CrO4-2 - H2O = CrO3Cl-
+      log_k 8.08
+      delta_h 5.45 #kJ/mol
+#     Enthalpy of formation: -754.800  kJ/mol  76DEL/HEP
+      -analytic 90.34799E-1 00E+0 -28.46733E+1 00E+0 00E+0
+
+SO4-2 + Cr+3 = CrSO4+
+      log_k 4.61 #81TUR/WHI
+      -analytic 46.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Cs+ + Cit-3 = Cs(Cit)-2
+      log_k 0.98 #95AKR/BOU
+      -analytic 98E-2 00E+0 00E+0 00E+0 00E+0
+
+Cs+ + Edta-4 = Cs(Edta)-3
+      log_k 1.3 #95AKR/BOU
+      -analytic 13E-1 00E+0 00E+0 00E+0 00E+0
+
+Cs+ + Nta-3 = Cs(Nta)-2
+      log_k 0.85 #95AKR/BOU
+      -analytic 85E-2 00E+0 00E+0 00E+0 00E+0
+
+Cs+ - H+ + H2O = Cs(OH)
+      log_k -15.64
+      delta_h 65.736 #kJ/mol
+#     Enthalpy of formation: -478.094  kJ/mol  97SHO/SAS2
+      -analytic -41.23547E-1 00E+0 -34.3363E+2 00E+0 00E+0
+
+Cs+ + Br- = CsBr
+      log_k 0.1
+      delta_h 5.912 #kJ/mol
+#     Enthalpy of formation: -373.497  kJ/mol
+      -analytic 11.35738E-1 00E+0 -30.88053E+1 00E+0 00E+0
+
+Cs+ + Cl- = CsCl
+      log_k -0.09
+      delta_h 7.514 #kJ/mol
+#     Enthalpy of formation: -417.566  kJ/mol
+      -analytic 12.26396E-1 00E+0 -39.24836E+1 00E+0 00E+0
+
+Cs+ + F- = CsF
+      log_k -0.38
+      delta_h 2.436 #kJ/mol
+#     Enthalpy of formation: -590.913  kJ/mol
+      -analytic 46.76888E-3 00E+0 -12.72411E+1 00E+0 00E+0
+
+Cs+ + I- = CsI
+      log_k 1.05
+      delta_h -0.071 #kJ/mol
+#     Enthalpy of formation: -314.850  kJ/mol
+      -analytic 10.37561E-1 00E+0 37.08588E-1 00E+0 00E+0
+
+Cu+2 + B(OH)4- = Cu(B(OH)4)+
+      log_k 7.13 #80BAS
+      -analytic 71.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Cu+2 + 2 B(OH)4- = Cu(B(OH)4)2
+      log_k 12.45 #80BAS
+      -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0
+
+Cu+2 + 3 B(OH)4- = Cu(B(OH)4)3-
+      log_k 15.17 #80BAS
+      -analytic 15.17E+0 00E+0 00E+0 00E+0 00E+0
+
+Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+      log_k 10.3 #07POW/BRO
+      delta_h 36.616 #kJ/mol
+#     Enthalpy of formation: -1248.945 kJ/mol
+      -analytic 16.71485E+0 00E+0 -19.12587E+2 00E+0 00E+0
+
+Cu+ + 2 HS- = Cu(HS)2-
+      log_k 17.18 #99MON/SEW
+      delta_h -78.863 #kJ/mol
+#     Enthalpy of formation: -40.875   kJ/mol
+      -analytic 33.63795E-1 00E+0 41.19301E+2 00E+0 00E+0
+
+Cu+2 - H+ + H2O = Cu(OH)+
+      log_k -7.97 #97PLY/WAN
+      delta_h 36 #kJ/mol 76ARE/CAL in 97PLY/WAN
+#     Enthalpy of formation: -184.930  kJ/mol
+      -analytic -16.63071E-1 00E+0 -18.80411E+2 00E+0 00E+0
+
+Cu+2 - 2 H+ + 2 H2O = Cu(OH)2
+      log_k -16.23 #97PLY/WAN
+      delta_h 92.82 #kJ/mol 76ARE/CAL in 97PLY/WAN
+#     Enthalpy of formation: -413.940  kJ/mol
+      -analytic 31.36597E-3 00E+0 -48.48326E+2 00E+0 00E+0
+
+Cu+ - 2 H+ + 2 H2O = Cu(OH)2-
+      log_k -18.2 #11PAL
+      delta_h 57.672 #kJ/mol
+#     Enthalpy of formation: -443.399  kJ/mol
+      -analytic -80.96299E-1 00E+0 -30.12418E+2 00E+0 00E+0
+
+Cu+2 - 3 H+ + 3 H2O = Cu(OH)3-
+      log_k -26.63 #36DOW/JOH in 97PLY/WAN
+      delta_h 114.482 #kJ/mol
+#     Enthalpy of formation: -678.107  kJ/mol
+      -analytic -65.73615E-1 00E+0 -59.79811E+2 00E+0 00E+0
+
+Cu+2 - 4 H+ + 4 H2O = Cu(OH)4-2
+      log_k -39.73 #36DOW/JOH, 67AKH in 97PLY/WAN
+      -analytic -39.73E+0 00E+0 00E+0 00E+0 00E+0
+
+Cu+2 + SeO4-2 = Cu(SeO4)
+      log_k 2.2 #Upper value suggested in 05OLI/NOL
+      -analytic 22E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Cu+2 - H+ + H2O = Cu2(OH)+3
+      log_k -6.71 #97PLY/WAN
+      delta_h 46.1 #kJ/mol 97ROB/STE
+#     Enthalpy of formation: -109.930  kJ/mol
+      -analytic 13.66373E-1 00E+0 -24.07971E+2 00E+0 00E+0
+
+2 Cu+2 - 2 H+ + 2 H2O = Cu2(OH)2+2
+      log_k -10.55 #97PLY/WAN
+      delta_h 75.4 #kJ/mol 97PLY/WAN
+#     Enthalpy of formation: -366.460  kJ/mol
+      -analytic 26.59513E-1 00E+0 -39.38416E+2 00E+0 00E+0
+
+2 Cu+ + 4 Cl- = Cu2Cl4-2
+      log_k 10.55 #80FRIN in 00PUI/TAX
+      delta_h -54.86 #kJ/mol 00PUI/TAX
+#     Enthalpy of formation: -582.002  kJ/mol
+      -analytic 93.89406E-2 00E+0 28.65537E+2 00E+0 00E+0
+
+2 Cu+ - H+ + 3 HS- = Cu2S(HS)2-2
+      log_k 29.87 #99MON/SEW
+      delta_h -314.862 #kJ/mol
+#     Enthalpy of formation: -222.586  kJ/mol
+      -analytic -25.29145E+0 00E+0 16.44639E+3 00E+0 00E+0
+
+3 Cu+2 - 4 H+ + 4 H2O = Cu3(OH)4+2
+      log_k -20.94 #76ARE/CAL in 97PLY/WAN
+      delta_h 110 #kJ/mol 76ARE/CAL in 97PLY/WAN
+#     Enthalpy of formation: -838.620  kJ/mol
+      -analytic -16.68827E-1 00E+0 -57.457E+2 00E+0 00E+0
+
+3 Cu+ + 6 Cl- = Cu3Cl6-3
+      log_k 15.99 #80FRI in 00PUI/TAX
+      delta_h 124.51 #kJ/mol 00PUI/TAX
+#     Enthalpy of formation: -666.203  kJ/mol
+      -analytic 37.80322E+0 00E+0 -65.0361E+2 00E+0 00E+0
+
+Cu+ + Cl- = CuCl
+      log_k 3.3 #98XIA/GAM
+      delta_h 3.763 #kJ/mol
+#     Enthalpy of formation: -92.728   kJ/mol
+      -analytic 39.59249E-1 00E+0 -19.65552E+1 00E+0 00E+0
+
+Cu+2 + Cl- = CuCl+
+      log_k 0.64 #97WAN/ZHA
+      delta_h 8.7 #kJ/mol 97WAN/ZHA
+#     Enthalpy of formation: -93.480   kJ/mol
+      -analytic 21.64175E-1 00E+0 -45.44326E+1 00E+0 00E+0
+
+Cu+2 + 2 Cl- = CuCl2
+      log_k 0.6 #97WAN/ZHA
+      delta_h 23 #kJ/mol 97WAN/ZHA
+#     Enthalpy of formation: -246.260  kJ/mol
+      -analytic 46.29427E-1 00E+0 -12.01374E+2 00E+0 00E+0
+
+Cu+ + 2 Cl- = CuCl2-
+      log_k 5.68 #97WAN/ZHA
+      delta_h -14.25 #kJ/mol 84FRI in 97WAN/ZHA
+#     Enthalpy of formation: -277.821  kJ/mol
+      -analytic 31.83507E-1 00E+0 74.43293E+1 00E+0 00E+0
+
+Cu+2 + 3 Cl- = CuCl3-
+      log_k -1.28 #97WAN/ZHA
+      delta_h 22.2 #kJ/mol 97WAN/ZHA
+#     Enthalpy of formation: -414.140  kJ/mol
+      -analytic 26.09273E-1 00E+0 -11.59587E+2 00E+0 00E+0
+
+Cu+ + 3 Cl- = CuCl3-2
+      log_k 5.03 #97WAN/ZHA
+      delta_h -27.33 #kJ/mol 97WAN/ZHA
+#     Enthalpy of formation: -457.981  kJ/mol
+      -analytic 24.19895E-2 00E+0 14.27545E+2 00E+0 00E+0
+
+Cu+2 + 4 Cl- = CuCl4-2
+      log_k -3.98 #97WAN/ZHA
+      delta_h 28 #kJ/mol 97WAN/ZHA
+#     Enthalpy of formation: -575.420  kJ/mol
+      -analytic 92.53894E-2 00E+0 -14.62542E+2 00E+0 00E+0
+
+Cu+2 + CO3-2 = CuCO3
+      log_k 6.75 #07POW/BRO
+      delta_h 10.4 #kJ/mol 89SOL/BYR
+#     Enthalpy of formation: -599.930  kJ/mol
+      -analytic 85.72002E-1 00E+0 -54.32298E+1 00E+0 00E+0
+
+Cu+2 + H+ + CO3-2 = CuHCO3+
+      log_k 12.17 #07POW/BRO
+      delta_h -5.841 #kJ/mol
+#     Enthalpy of formation: -616.172  kJ/mol
+      -analytic 11.1467E+0 00E+0 30.50967E+1 00E+0 00E+0
+
+Cu+ + HS- = CuHS
+      log_k 13 #99MON/SEW
+      delta_h -44.866 #kJ/mol
+#     Enthalpy of formation: +9.422    kJ/mol
+      -analytic 51.39814E-1 00E+0 23.43514E+2 00E+0 00E+0
+
+Cu+ - H+ + H2O = CuOH
+      log_k -7.68 #11PAL
+      -analytic -76.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Cu+ + S2O3-2 = CuS2O3-
+      log_k 10.13
+      delta_h -51.13 #kJ/mol
+#     Enthalpy of formation: -632.828  kJ/mol
+      -analytic 11.72409E-1 00E+0 26.70706E+2 00E+0 00E+0
+
+Cu+2 + SO4-2 = CuSO4
+      log_k 2.31
+      delta_h 5.102 #kJ/mol
+#     Enthalpy of formation: -839.338  kJ/mol
+      -analytic 32.03832E-1 00E+0 -26.6496E+1 00E+0 00E+0
+
+Eu+3 + Acetate- = Eu(Acetate)+2
+      log_k 2.9 #12GRI/GAR2
+      -analytic 29E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Acetate- = Eu(Acetate)2+
+      log_k 4.8 #12GRI/GAR2
+      -analytic 48E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 3 Acetate- = Eu(Acetate)3
+      log_k 5.6 #12GRI/GAR2
+      -analytic 56E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Cit-3 = Eu(Cit)
+      log_k 8.55 #Analogy with Am
+      -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Cit-3 = Eu(Cit)2-3
+      log_k 13.9 #Analogy with Am
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + CO3-2 = Eu(CO3)+
+      log_k 7.9 #95SPA/BRU
+      delta_h 26.15 #kJ/mol
+#     Enthalpy of formation: -1254.406 kJ/mol
+      -analytic 12.48128E+0 00E+0 -13.6591E+2 00E+0 00E+0
+
+Eu+3 + 2 CO3-2 = Eu(CO3)2-
+      log_k 12.9 #95SPA/BRU
+      -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 3 CO3-2 = Eu(CO3)3-3
+      log_k 14.8 #05VER/VIT2
+      -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Edta-4 = Eu(Edta)-
+      log_k 19.67 #Analoly with Am(Edta)-
+      -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + H2(PO4)- = Eu(H2PO4)+2
+      log_k 2.4 #95SPA/BRU
+      -analytic 24E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + H+ + Cit-3 = Eu(HCit)+
+      log_k 12.86 #Analogy with Am
+      -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 H+ + 2 Cit-3 = Eu(HCit)2-
+      log_k 23.52 #Analogy with Am
+      -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + H+ + CO3-2 = Eu(HCO3)+2
+      log_k 12.43 #95SPA/BRU
+      -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + H+ + Edta-4 = Eu(HEdta)
+      log_k 21.84 #Analogy with Am(HEdta)
+      -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - H+ + H2(PO4)- = Eu(HPO4)+
+      log_k -1.51 #95SPA/BRU
+      -analytic -15.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - 2 H+ + 2 H2(PO4)- = Eu(HPO4)2-
+      log_k -4.82 #95SPA/BRU
+      -analytic -48.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Malonate-2 = Eu(Malonate)+
+      log_k 5.43 #13GRI/CAM
+      -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Malonate-2 = Eu(Malonate)2-
+      log_k 7.78 #13GRI/CAM
+      -analytic 77.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + NO3- = Eu(NO3)+2
+      log_k 1.21 #09RAO/TIA1 (Calculated usig SIT)
+      -analytic 12.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Nta-3 = Eu(Nta)
+      log_k 13 #Analogy with Am(Nta)(aq)
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - H+ + H2O = Eu(OH)+2
+      log_k -7.8 #95SPA/BRU
+      delta_h 51.104 #kJ/mol
+#     Enthalpy of formation: -840.051  kJ/mol
+      -analytic 11.53036E-1 00E+0 -26.69348E+2 00E+0 00E+0
+
+Eu+3 - 2 H+ + HGlu- + 2 H2O = Eu(OH)2(HGlu)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - 2 H+ + HIsa- + 2 H2O = Eu(OH)2(HIsa)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - 2 H+ + 2 H2O = Eu(OH)2+
+      log_k -15.7 #07NEC/ALT2
+      delta_h 104.24 #kJ/mol
+#     Enthalpy of formation: -1072.744 kJ/mol
+      -analytic 25.62064E-1 00E+0 -54.44834E+2 00E+0 00E+0
+
+Eu+3 - 3 H+ + 3 H2O = Eu(OH)3
+      log_k -26.2 #07NEC/ALT2
+      delta_h 162.995 #kJ/mol
+#     Enthalpy of formation: -1299.819 kJ/mol
+      -analytic 23.55498E-1 00E+0 -85.13822E+2 00E+0 00E+0
+
+Eu+3 - 4 H+ + 4 H2O = Eu(OH)4-
+      log_k -40.7 #07NEC/ALT2
+      delta_h 235.317 #kJ/mol
+#     Enthalpy of formation: -1513.326 kJ/mol
+      -analytic 52.57687E-2 00E+0 -12.29146E+3 00E+0 00E+0
+
+Eu+3 + Ox-2 = Eu(Ox)+
+      log_k +6.55 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
+      -analytic 65.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Ox-2 = Eu(Ox)2-
+      log_k +10.93 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
+      -analytic 10.93E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 3 Ox-2 = Eu(Ox)3-3
+      log_k +12.48 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
+      -analytic 12.48E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Phthalat-2 = Eu(Phthalat)+
+      log_k 4.96 #11GRI/COL2
+      -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Phthalat-2 = Eu(Phthalat)2-
+      log_k 7.34 #11GRI/COL2
+      -analytic 73.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - 2 H+ + H2(PO4)- = Eu(PO4)
+      log_k -7.36 #95SPA/BRU
+      -analytic -73.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 - 4 H+ + 2 H2(PO4)- = Eu(PO4)2-3
+      log_k -18.46 #95SPA/BRU
+      -analytic -18.46E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + SO4-2 = Eu(SO4)+
+      log_k 3.5 #95SPA/BRU
+      delta_h 15.577 #kJ/mol
+#     Enthalpy of formation: -1499.088 kJ/mol
+      -analytic 62.28973E-1 00E+0 -81.36434E+1 00E+0 00E+0
+
+Eu+3 + 2 SO4-2 = Eu(SO4)2-
+      log_k 5.2 #95SPA/BRU
+      delta_h 23.017 #kJ/mol
+#     Enthalpy of formation: -2400.987 kJ/mol
+      -analytic 92.32405E-1 00E+0 -12.02262E+2 00E+0 00E+0
+
+Eu+3 + Succinat-2 = Eu(Succinat)+
+      log_k 4.36 #13GRI/CAM
+      -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + 2 Succinat-2 = Eu(Succinat)2-
+      log_k 6.5 #13GRI/CAM
+      -analytic 65E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu+3 + Br- = EuBr+2
+      log_k 0.25 #95SPA/BRU
+      delta_h 1.397 #kJ/mol
+#     Enthalpy of formation: -725.337  kJ/mol
+      -analytic 49.47439E-2 00E+0 -72.97039E+0 00E+0 00E+0
+
+Eu+3 + 2 Br- = EuBr2+
+      log_k -0.09 #95SPA/BRU
+      delta_h 7.625 #kJ/mol
+#     Enthalpy of formation: -840.520  kJ/mol
+      -analytic 12.45843E-1 00E+0 -39.82815E+1 00E+0 00E+0
+
+Eu+3 + Cl- = EuCl+2
+      log_k 0.76 #Original data 01LUO/BYR and 04LUO/BYR
+      delta_h 19.94 #kJ/mol 00YEH
+#     Enthalpy of formation: -752.465  kJ/mol
+      -analytic 42.53338E-1 00E+0 -10.41539E+2 00E+0 00E+0
+
+Eu+3 + 2 Cl- = EuCl2+
+      log_k -0.05 #95SPA/BRU
+      delta_h 22.87 #kJ/mol
+#     Enthalpy of formation: -916.614  kJ/mol
+      -analytic 39.56652E-1 00E+0 -11.94583E+2 00E+0 00E+0
+
+Eu+3 + F- = EuF+2
+      log_k 4.33 #07LUO/BYR
+      delta_h 8.19 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -932.485  kJ/mol
+      -analytic 57.64826E-1 00E+0 -42.77935E+1 00E+0 00E+0
+
+Eu+3 + 2 F- = EuF2+
+      log_k 6.55 #Original data from 99SCH/BYR and 04LUO/BYR
+      delta_h 18.58 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -1257.445 kJ/mol
+      -analytic 98.05076E-1 00E+0 -97.0501E+1 00E+0 00E+0
+
+Eu+3 + 3 F- = EuF3
+      log_k 10.6 #95SPA/BRU
+      delta_h 27.85 #kJ/mol
+#     Enthalpy of formation: -1583.524 kJ/mol
+      -analytic 15.47911E+0 00E+0 -14.54707E+2 00E+0 00E+0
+
+Eu+3 - H+ + H4(SiO4) = EuSiO(OH)3+2
+      log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1
+      -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + B(OH)4- = Fe(B(OH)4)+2
+      log_k 8.58 #80BAS
+      -analytic 85.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 B(OH)4- = Fe(B(OH)4)2+
+      log_k 15.54 #80BAS
+      -analytic 15.54E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + Cit-3 = Fe(Cit)
+      log_k 12.65 #95AKR/BOU
+      -analytic 12.65E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + Cit-3 = Fe(Cit)-
+      log_k 6.1 #95AKR/BOU
+      -analytic 61E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - H+ + Cit-3 + H2O = Fe(Cit)(OH)-
+      log_k 10.33 #95AKR/BOU
+      -analytic 10.33E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 Cit-3 = Fe(Cit)2-3
+      log_k 18.15 #95AKR/BOU
+      -analytic 18.15E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 CO3-2 = Fe(CO3)2-2
+      log_k 7.04 #13LEM/BER
+      delta_h 58.257 #kJ/mol
+#     Enthalpy of formation: -1382.499 kJ/mol
+      -analytic 17.24619E+0 00E+0 -30.42975E+2 00E+0 00E+0
+
+Fe+3 + 3 CO3-2 = Fe(CO3)3-3
+      log_k 24 #05GRI in 13LEM/BER
+      -analytic 24E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + Edta-4 = Fe(Edta)-
+      log_k 27.7 #95AKR/BOU
+      -analytic 27.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + Edta-4 = Fe(Edta)-2
+      log_k 16.02 #95AKR/BOU
+      -analytic 16.02E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 H+ + Cit-3 = Fe(H2Cit)+
+      log_k 13.64 #91DUF/JOH
+      -analytic 13.64E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 H+ + Cit-3 = Fe(H2Cit)+2
+      log_k 14.13 #82NAM/PAL
+      -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + H2(PO4)- = Fe(H2PO4)+
+      log_k 2.7 #20LEM/PAL
+      -analytic 27E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H2(PO4)- = Fe(H2PO4)+2
+      log_k 5.43 #Recalculated from 72NRIa in 20LEM/PAL
+      -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - H+ + H4(SiO4) = Fe(H3SiO4)+2
+      log_k 0.36 #88CHA/NEW
+      -analytic 36E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + H+ + Cit-3 = Fe(HCit)
+      log_k 10.02 #95AKR/BOU
+      -analytic 10.02E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H+ + 2 Cit-3 = Fe(HCit)(Cit)-2
+      log_k 19.3 #95AKR/BOU
+      -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H+ + Cit-3 = Fe(HCit)+
+      log_k 13.56 #95AKR/BOU
+      -analytic 13.56E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 H+ + 2 Cit-3 = Fe(HCit)2-
+      log_k 24.92 #95AKR/BOU
+      -analytic 24.92E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H+ + Edta-4 = Fe(HEdta)
+      log_k 29.2 #95AKR/BOU
+      -analytic 29.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + H+ + Edta-4 = Fe(HEdta)-
+      log_k 18.3 #95AKR/BOU
+      -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + H+ + Nta-3 = Fe(HNta)
+      log_k 12.3 #95AKR/BOU
+      -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H+ + Ox-2 = Fe(HOx)+2
+      log_k 9.3 #95AKR/BOU
+      -analytic 93E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - H+ + H2(PO4)- = Fe(HPO4)
+      log_k -3.61 #USGS original
+      -analytic -36.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + HS- = Fe(HS)+
+      log_k 4.34 #04CHI
+      -analytic 43.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 HS- = Fe(HS)2
+      log_k 6.45 #04CHI
+      -analytic 64.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + H+ + SeO3-2 = Fe(HSeO3)+2
+      log_k 12.35 #01SEB/POT2
+      -analytic 12.35E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + NH3 = Fe(NH3)+2
+      log_k 1.3 #82SCH
+      -analytic 13E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 NH3 = Fe(NH3)2+2
+      log_k 2.1 #82SCH
+      -analytic 21E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 4 NH3 = Fe(NH3)4+2
+      log_k 3.6 #82SCH
+      -analytic 36E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + NO3- = Fe(NO3)+2
+      log_k 0.95 #HATCHES 8 1996
+      -analytic 95E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + Nta-3 = Fe(Nta)
+      log_k 18.6 #95AKR/BOU
+      -analytic 18.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + Nta-3 = Fe(Nta)-
+      log_k 10.6 #95AKR/BOU
+      -analytic 10.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 Nta-3 = Fe(Nta)2-3
+      log_k 27 #95AKR/BOU
+      -analytic 27E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 Nta-3 = Fe(Nta)2-4
+      log_k 13.5 #95AKR/BOU
+      -analytic 13.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - H+ + Cit-3 + H2O = Fe(OH)(Cit)-2
+      log_k -0.86 #91DUF/JOH
+      -analytic -86E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-2
+      log_k 20.84 #95AKR/BOU
+      -analytic 20.84E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-3
+      log_k 6.4 #95AKR/BOU
+      -analytic 64E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - H+ + Nta-3 + H2O = Fe(OH)(Nta)-
+      log_k 14.6 #95AKR/BOU
+      -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - H+ + Nta-3 + H2O = Fe(OH)(Nta)-2
+      log_k -0.12 #95AKR/BOU
+      -analytic -12E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - H+ + H2O = Fe(OH)+
+      log_k -9.25 #21RIB/BEG
+      delta_h 40.921 #kJ/mol 21RIB/BEG
+#     Enthalpy of formation: -335.204  kJ/mol
+      -analytic -20.80949E-1 00E+0 -21.37453E+2 00E+0 00E+0
+
+Fe+3 - H+ + H2O = Fe(OH)+2
+      log_k -2.15 #13LEM/BER
+      delta_h 38.8 #kJ/mol 13LEM/BER
+#     Enthalpy of formation: -297.086  kJ/mol
+      -analytic 46.47468E-1 00E+0 -20.26665E+2 00E+0 00E+0
+
+Fe+2 - 2 H+ + 2 H2O = Fe(OH)2
+      log_k -20.84 #21RIB/BEG
+      delta_h 114.131 #kJ/mol 21RIB/BEG
+#     Enthalpy of formation: -547.824  kJ/mol
+      -analytic -84.51071E-2 00E+0 -59.61477E+2 00E+0 00E+0
+
+Fe+3 - 2 H+ + Cit-3 + 2 H2O = Fe(OH)2(Cit)-2
+      log_k 2.9 #95AKR/BOU
+      -analytic 29E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3
+      log_k 10.06 #95AKR/BOU
+      -analytic 10.06E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4
+      log_k -4.4 #95AKR/BOU
+      -analytic -44E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - 2 H+ + Nta-3 + 2 H2O = Fe(OH)2(Nta)-2
+      log_k 6 #95AKR/BOU
+      -analytic 60E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - 2 H+ + 2 H2O = Fe(OH)2+
+      log_k -4.8 #13LEM/BER
+      delta_h 71.546 #kJ/mol 76BAE/MES in 98CHI
+#     Enthalpy of formation: -550.170  kJ/mol
+      -analytic 77.34321E-1 00E+0 -37.37108E+2 00E+0 00E+0
+
+Fe+3 - 3 H+ + 3 H2O = Fe(OH)3
+      log_k -12.56 #95BOU in 04CHI
+      delta_h 103.764 #kJ/mol 95BOU in 04CHI
+#     Enthalpy of formation: -803.782  kJ/mol
+      -analytic 56.18672E-1 00E+0 -54.19971E+2 00E+0 00E+0
+
+Fe+2 - 3 H+ + 3 H2O = Fe(OH)3-
+      log_k -33.84 #21RIB/BEG
+      delta_h 162.231 #kJ/mol 21RIB/BEG
+#     Enthalpy of formation: -785.554  kJ/mol
+      -analytic -54.18349E-1 00E+0 -84.73915E+2 00E+0 00E+0
+
+Fe+3 - 3 H+ + Edta-4 + 3 H2O = Fe(OH)3(Edta)-4
+      log_k -2.24 #51SCH/HEL
+      -analytic -22.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - 4 H+ + 4 H2O = Fe(OH)4-
+      log_k -21.6 #76BAE/MES in 04CHI
+      delta_h 133.471 #kJ/mol 95BOU in 04CHI
+#     Enthalpy of formation: -1059.905 kJ/mol
+      -analytic 17.83115E-1 00E+0 -69.71676E+2 00E+0 00E+0
+
+Fe+2 - 4 H+ + 4 H2O = Fe(OH)4-2
+      log_k -46.32 #21RIB/BEG from 56GAY/WOO
+      delta_h 160.75 #kJ/mol
+#     Enthalpy of formation: -1072.864 kJ/mol
+      -analytic -18.15781E+0 00E+0 -83.96557E+2 00E+0 00E+0
+
+Fe+3 - H+ + CO3-2 + H2O = Fe(OH)CO3
+      log_k 10.7 #05GRI
+      -analytic 10.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + Ox-2 = Fe(Ox)
+      log_k 4.1 #95AKR/BOU
+      -analytic 41E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + Ox-2 = Fe(Ox)+
+      log_k 9.53 #95AKR/BOU
+      -analytic 95.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 Ox-2 = Fe(Ox)2-
+      log_k 15.75 #95AKR/BOU
+      -analytic 15.75E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 2 Ox-2 = Fe(Ox)2-2
+      log_k 6.2 #95AKR/BOU
+      -analytic 62E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 3 Ox-2 = Fe(Ox)3-3
+      log_k 20.2 #95AKR/BOU
+      -analytic 20.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + 3 Ox-2 = Fe(Ox)3-4
+      log_k 5.22 #95AKR/BOU
+      -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 - 2 H+ + H2(PO4)- = Fe(PO4)
+      log_k 3.44 #Recalculated from 07IUL/CIA in 20LEM/PAL
+      -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + SeO3-2 = Fe(SeO3)+
+      log_k 11.15 #05OLI/NOL
+      -analytic 11.15E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + SeO4-2 = Fe(SeO4)
+      log_k 2.71 #01SEB/POT2
+      delta_h -12.425 #kJ/mol
+#     Enthalpy of formation: -706.220  kJ/mol
+      -analytic 53.32334E-2 00E+0 64.90029E+1 00E+0 00E+0
+
+Fe+2 + SO4-2 = Fe(SO4)
+      log_k 2.44 #13LEM/BER
+      delta_h 8.4 #kJ/mol 13LEM/BER
+#     Enthalpy of formation: -991.235  kJ/mol
+      -analytic 39.11617E-1 00E+0 -43.87626E+1 00E+0 00E+0
+
+Fe+3 + SO4-2 = Fe(SO4)+
+      log_k 4.25 #13LEM/BER
+      delta_h 26 #kJ/mol Suggested but not selected 13LEM/BER
+#     Enthalpy of formation: -933.396  kJ/mol
+      -analytic 88.05004E-1 00E+0 -13.58075E+2 00E+0 00E+0
+
+Fe+3 + 2 SO4-2 = Fe(SO4)2-
+      log_k 6.22 #91PEA/BER in 98CHI
+      -analytic 62.2E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Fe+3 - 2 H+ + 2 Cit-3 + 2 H2O = Fe2(Cit)2(OH)2-2
+      log_k 17 #95AKR/BOU
+      -analytic 17E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Fe+3 - 2 H+ + 2 Edta-4 + 2 H2O = Fe2(OH)2(Edta)2-4
+      log_k 40 #95AKR/BOU
+      -analytic 40E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Fe+3 - 2 H+ + 2 H2O = Fe2(OH)2+4
+      log_k -2.82 #13LEM/BER
+      delta_h 44 #kJ/mol 13LEM/BER
+#     Enthalpy of formation: -627.772  kJ/mol
+      -analytic 48.88469E-1 00E+0 -22.9828E+2 00E+0 00E+0
+
+3 Fe+3 - 4 H+ + 4 H2O = Fe3(OH)4+5
+      log_k -6.3 #76BAE/MES in 98CHI
+      delta_h 59.831 #kJ/mol 76BAE/MES
+#     Enthalpy of formation: -1233.657 kJ/mol
+      -analytic 41.81941E-1 00E+0 -31.25191E+2 00E+0 00E+0
+
+Fe+3 + Br- = FeBr+2
+      log_k 0.7 #88CHA/NEW
+      -analytic 70E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 2 Br- = FeBr2+
+      log_k 0.9 #96FAL/REA
+      -analytic 90E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + Cl- = FeCl+
+      log_k 1 #Suggested in 13LEM/BER
+      delta_h 21.551 #kJ/mol 13LEM/BER
+#     Enthalpy of formation: -235.824  kJ/mol
+      -analytic 47.75573E-1 00E+0 -11.25687E+2 00E+0 00E+0
+
+Fe+3 + Cl- = FeCl+2
+      log_k 1.52 #13LEM/BER
+      delta_h 22.5 #kJ/mol 13LEM/BER
+#     Enthalpy of formation: -194.636  kJ/mol
+      -analytic 54.61831E-1 00E+0 -11.75257E+2 00E+0 00E+0
+
+Fe+3 + 2 Cl- = FeCl2+
+      log_k 2.22 #13LEM/BER
+      -analytic 22.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 3 Cl- = FeCl3
+      log_k 1.02 #13LEM/BER
+      -analytic 10.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + 4 Cl- = FeCl4-
+      log_k -0.98 #13LEM/BER
+      -analytic -98E-2 00E+0 00E+0 00E+0 00E+0
+
+Fe+2 + CO3-2 = FeCO3
+      log_k 5.27 #13LEM/BER
+      delta_h -3.367 #kJ/mol
+#     Enthalpy of formation: -768.892  kJ/mol
+      -analytic 46.80127E-1 00E+0 17.58707E+1 00E+0 00E+0
+
+Fe+3 + CrO4-2 = FeCrO4+
+      log_k 7.8 #96BAR/PAL
+      delta_h 19.1 #kJ/mol 96BAR/PAL
+#     Enthalpy of formation: -909.956  kJ/mol
+      -analytic 11.14618E+0 00E+0 -99.76625E+1 00E+0 00E+0
+
+Fe+2 + F- = FeF+
+      log_k 1.7 #13LEM/BER
+      -analytic 17E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + F- = FeF+2
+      log_k 6.09 #20LEM/PAL
+      delta_h 12.8 #kJ/mol 20LEM/PAL
+#     Enthalpy of formation: -372.606  kJ/mol
+      -analytic 83.32464E-1 00E+0 -66.85906E+1 00E+0 00E+0
+
+Fe+3 + 2 F- = FeF2+
+      log_k 10.41 #Calculated in 20LEM/PAL
+      delta_h 22 #kJ/mol Calculated in 20LEM/PAL
+#     Enthalpy of formation: -698.756  kJ/mol
+      -analytic 14.26423E+0 00E+0 -11.4914E+2 00E+0 00E+0
+
+Fe+3 + 2 H+ + Pyrophos-4 = FeH2Pyrophos+
+      log_k 26 #88CHA/NEW
+      -analytic 26E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + I- = FeI+2
+      log_k 2.1 #96BOU2
+      -analytic 21E-1 00E+0 00E+0 00E+0 00E+0
+
+Fe+3 + S2O3-2 = FeS2O3+
+      log_k 3.9 #82SCH
+      -analytic 39E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Adipate-2 = H(Adipate)-
+      log_k 5.45 #04MAR/SMI
+      -analytic 54.5E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + H3(AsO3) = H(AsO3)-2
+      log_k -23.62 #79IVA/VOR
+      -analytic -23.62E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + AsO4-3 = H(AsO4)-2
+      log_k 11.6
+      delta_h -18.2 #kJ/mol
+#     Enthalpy of formation: -906.340  kJ/mol  09RAN/FUG
+      -analytic 84.11497E-1 00E+0 95.06522E+1 00E+0 00E+0
+
+H+ + Cit-3 = H(Cit)-2
+      log_k 6.36 #05HUM/AND
+      delta_h 3.3 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1516.620 kJ/mol
+      -analytic 69.38135E-1 00E+0 -17.2371E+1 00E+0 00E+0
+
+H+ + Edta-4 = H(Edta)-3
+      log_k 11.24 #05HUM/AND
+      delta_h -19.8 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1724.600 kJ/mol
+      -analytic 77.71189E-1 00E+0 10.34226E+2 00E+0 00E+0
+
+H+ + Malonate-2 = H(Malonate)-
+      log_k 5.71 #13GRI/CAM
+      -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Nta-3 = H(Nta)-2
+      log_k 10.28 #95AKR/BOU
+      -analytic 10.28E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Ox-2 = H(Ox)-
+      log_k 4.25 #05HUM/AND
+      delta_h 7.3 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -823.360  kJ/mol
+      -analytic 55.28905E-1 00E+0 -38.13056E+1 00E+0 00E+0
+
+H+ + Pyrophos-4 = H(Pyrophos)-3
+      log_k 9.4 #92GRE/FUG
+      -analytic 94E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + S2O3-2 = H(S2O3)-
+      log_k 1.72 #04CHI
+      delta_h 8.253 #kJ/mol
+#     Enthalpy of formation: -644.033  kJ/mol
+      -analytic 31.65864E-1 00E+0 -43.10842E+1 00E+0 00E+0
+
+H+ + SeO3-2 = H(SeO3)-
+      log_k 8.36 #05OLI/NOL
+      delta_h -5.17 #kJ/mol
+#     Enthalpy of formation: -512.330  kJ/mol  05OLI/NOL
+      -analytic 74.54255E-1 00E+0 27.00479E+1 00E+0 00E+0
+
+H+ + SeO4-2 = H(SeO4)-
+      log_k 1.75 #05OLI/NOL
+      delta_h 20.8 #kJ/mol 05OLI/NOL
+#     Enthalpy of formation: -582.700  kJ/mol
+      -analytic 53.94004E-1 00E+0 -10.8646E+2 00E+0 00E+0
+
+H+ + SO3-2 = H(SO3)-
+      log_k 7.17 #85GOL/PAR
+      delta_h 3.668 #kJ/mol
+#     Enthalpy of formation: -627.392  kJ/mol
+      -analytic 78.12606E-1 00E+0 -19.1593E+1 00E+0 00E+0
+
+H+ + SO4-2 = H(SO4)-
+      log_k 1.98
+      delta_h 22.44 #kJ/mol
+#     Enthalpy of formation: -886.900  kJ/mol  92GRE/FUG
+      -analytic 59.11319E-1 00E+0 -11.72123E+2 00E+0 00E+0
+
+H+ + Suberate-2 = H(Suberate)-
+      log_k 5.4 #31GAN/ING
+      -analytic 54E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Succinat-2 = H(Succinat)-
+      log_k 5.71 #13GRI/CAM
+      -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Adipate-2 = H2(Adipate)
+      log_k 9.89 #04MAR/SMI
+      -analytic 98.9E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H3(AsO3) = H2(AsO3)-
+      log_k -9.22
+      delta_h 27.41 #kJ/mol
+#     Enthalpy of formation: -714.790  kJ/mol  10RAN/FUG
+      -analytic -44.17974E-1 00E+0 -14.31724E+2 00E+0 00E+0
+
+2 H+ + AsO4-3 = H2(AsO4)-
+      log_k 18.37
+      delta_h -21.42 #kJ/mol
+#     Enthalpy of formation: -909.560  kJ/mol  09RAN/FUG
+      -analytic 14.61738E+0 00E+0 11.18845E+2 00E+0 00E+0
+
+2 H+ + Cit-3 = H2(Cit)-
+      log_k 11.14 #05HUM/AND
+      delta_h 0.9 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1519.020 kJ/mol
+      -analytic 11.29767E+0 00E+0 -47.01027E+0 00E+0 00E+0
+
+2 H+ + Edta-4 = H2(Edta)-2
+      log_k 18.04 #05HUM/AND
+      delta_h -35 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1739.800 kJ/mol
+      -analytic 11.90826E+0 00E+0 18.28177E+2 00E+0 00E+0
+
+2 H+ + Malonate-2 = H2(Malonate)
+      log_k 8.67 #13GRI/CAM
+      -analytic 86.7E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Nta-3 = H2(Nta)-
+      log_k 13.2 #95AKR/BOU
+      -analytic 13.2E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Ox-2 = H2(Ox)
+      log_k 5.65 #05HUM/AND
+      delta_h 10.6 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -820.060  kJ/mol
+      -analytic 75.0704E-1 00E+0 -55.36766E+1 00E+0 00E+0
+
+2 H+ + Pyrophos-4 = H2(Pyrophos)-2
+      log_k 16.05 #92GRE/FUG
+      -analytic 16.05E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + S2O3-2 = H2(S2O3)
+      log_k 2.32 #04CHI
+      delta_h 22.917 #kJ/mol
+#     Enthalpy of formation: -629.369  kJ/mol
+      -analytic 63.34886E-1 00E+0 -11.97038E+2 00E+0 00E+0
+
+2 H+ + SeO3-2 = H2(SeO3)
+      log_k 11 #05OLI/NOL
+      delta_h 1.84 #kJ/mol
+#     Enthalpy of formation: -505.320  kJ/mol  05OLI/NOL
+      -analytic 11.32235E+0 00E+0 -96.10989E+0 00E+0 00E+0
+
+- 2 H+ + H4(SiO4) = H2(SiO4)-2
+      log_k -23.14 #92GRE/FUG
+      delta_h 75 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1386.194 kJ/mol
+      -analytic -10.00056E+0 00E+0 -39.17523E+2 00E+0 00E+0
+
+2 H+ + SO3-2 = H2(SO3)
+      log_k 9.03 #85GOL/PAR
+      delta_h 21.453 #kJ/mol
+#     Enthalpy of formation: -609.607  kJ/mol
+      -analytic 12.7884E+0 00E+0 -11.20568E+2 00E+0 00E+0
+
+2 H+ + Suberate-2 = H2(Suberate)
+      log_k 9.92 #31GAN/ING
+      -analytic 99.2E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Succinat-2 = H2(Succinat)
+      log_k 9.95 #13GRI/CAM
+      -analytic 99.5E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + CrO4-2 = H2CrO4
+      log_k 6.32 #76BAE/MES, 04CHI
+      delta_h 39.596 #kJ/mol
+#     Enthalpy of formation: -839.404  kJ/mol
+      -analytic 13.25692E+0 00E+0 -20.68243E+2 00E+0 00E+0
+
+2 H+ + H2(PO4)- + CrO4-2 - H2O = H2CrPO7-
+      log_k 9.02
+      delta_h -51.49 #kJ/mol
+#     Enthalpy of formation: -1947.260 kJ/mol  76DEL/HAL
+      -analytic -66.07802E-5 00E+0 26.8951E+2 00E+0 00E+0
+
+H+ + HGlu- = H2Glu
+      log_k 3.9 #98ZUB/CAS
+      -analytic 39E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + HIsa- = H2Isa
+      log_k 4 #05HUM/AND
+      -analytic 40E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + MoO4-2 = H2MoO4
+      log_k 8.15 #68SAS/SIL, 64AVE/ANA
+      -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Phthalat-2 = H2Phthalat
+      log_k 8.32 #10RIC/SAB1
+      -analytic 83.2E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + HS- = H2S
+      log_k 6.99
+      delta_h -22.3 #kJ/mol
+#     Enthalpy of formation: -38.600   kJ/mol  89COX/WAG
+      -analytic 30.83208E-1 00E+0 11.6481E+2 00E+0 00E+0
+
+2 H+ + S2O4-2 = H2S2O4
+      log_k 2.8 #04CHI
+      delta_h 20.193 #kJ/mol
+#     Enthalpy of formation: -733.307  kJ/mol
+      -analytic 63.37662E-1 00E+0 -10.54754E+2 00E+0 00E+0
+
+H+ + HSe- = H2Se
+      log_k 3.85
+      delta_h 0 #kJ/mol
+#     Enthalpy of formation: +14.300   kJ/mol  05OLI/NOL
+      -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + AsO4-3 = H3(AsO4)
+      log_k 20.63
+      delta_h -14.36 #kJ/mol
+#     Enthalpy of formation: -902.500  kJ/mol  09RAN/FUG
+      -analytic 18.11424E+0 00E+0 75.0075E+1 00E+0 00E+0
+
+3 H+ + Cit-3 = H3(Cit)
+      log_k 14.27 #05HUM/AND
+      delta_h -3.6 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1523.520 kJ/mol
+      -analytic 13.63931E+0 00E+0 18.80411E+1 00E+0 00E+0
+
+3 H+ + Edta-4 = H3(Edta)-
+      log_k 21.19 #05HUM/AND
+      delta_h -27.9 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1732.700 kJ/mol
+      -analytic 16.30213E+0 00E+0 14.57318E+2 00E+0 00E+0
+
+3 H+ + Nta-3 = H3(Nta)
+      log_k 15.33 #95AKR/BOU
+      -analytic 15.33E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + H2(PO4)- = H3(PO4)
+      log_k 2.14 #92GRE/FUG
+      delta_h 8.48 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1294.120 kJ/mol
+      -analytic 36.25632E-1 00E+0 -44.29412E+1 00E+0 00E+0
+
+3 H+ + Pyrophos-4 = H3(Pyrophos)-
+      log_k 18.3 #92GRE/FUG
+      -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H4(SiO4) = H3(SiO4)-
+      log_k -9.84 #06BLA/PIA; Uncertainty to include available data.
+      delta_h 29.363 #kJ/mol
+#     Enthalpy of formation: -1431.831 kJ/mol
+      -analytic -46.95823E-1 00E+0 -15.33736E+2 00E+0 00E+0
+
+4 H+ + Edta-4 = H4(Edta)
+      log_k 23.42 #05HUM/AND
+      delta_h -26 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1730.800 kJ/mol
+      -analytic 18.865E+0 00E+0 13.58075E+2 00E+0 00E+0
+
+4 H+ + Nta-3 = H4(Nta)+
+      log_k 16.13 #95AKR/BOU
+      -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0
+
+4 H+ + Pyrophos-4 = H4(Pyrophos)
+      log_k 19.3 #92GRE/FUG
+#     Enthalpy of formation: -2280.210 kJ/mol  92GRE/FUG
+      -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0
+
+5 H+ + Edta-4 = H5(Edta)+
+      log_k 24.72 #05HUM/AND
+      -analytic 24.72E+0 00E+0 00E+0 00E+0 00E+0
+
+6 H+ + Edta-4 = H6(Edta)+2
+      log_k 24.22 #05HUM/AND
+      -analytic 24.22E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Acetate- = HAcetate
+      log_k 4.76
+      delta_h 0.25 #kJ/mol
+#     Enthalpy of formation: -485.760  kJ/mol  82WAG/EVA
+      -analytic 48.03798E-1 00E+0 -13.05841E+0 00E+0 00E+0
+
+H+ + 2 B(OH)4- - 4 H2O = HB2O4-
+      log_k 9.17 #97CRO
+      -analytic 91.7E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + CO3-2 = HCO3-
+      log_k 10.33
+      delta_h -14.7 #kJ/mol
+#     Enthalpy of formation: -689.930  kJ/mol  89COX/WAG
+      -analytic 77.54671E-1 00E+0 76.78345E+1 00E+0 00E+0
+
+H+ + CrO4-2 = HCrO4-
+      log_k 6.52 #87PAL/WES, 04CHI
+      delta_h 6.016 #kJ/mol
+#     Enthalpy of formation: -872.985  kJ/mol
+      -analytic 75.73958E-1 00E+0 -31.42376E+1 00E+0 00E+0
+
+H+ + H2(PO4)- + CrO4-2 - H2O = HCrPO7-2
+      log_k 6.37
+      delta_h -36.39 #kJ/mol
+#     Enthalpy of formation: -1932.160 kJ/mol  76DEL/HEP
+      -analytic -52.54337E-4 00E+0 19.00782E+2 00E+0 00E+0
+
+4 CO3-2 + Hf+4 = Hf(CO3)4-4
+      log_k 42.9 #analogy with Zr
+      -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0
+
+2 NO3- + Hf+4 = Hf(NO3)2+2
+      log_k 2.49 #65DES/KHO recalculated; Uncertainty to include available data.
+      -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Hf+4 + H2O = Hf(OH)+3
+      log_k -0.2 #01RAI/XIA; Uncertainty to include available data.
+      -analytic -20E-2 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + Hf+4 + 4 H2O = Hf(OH)4
+      log_k -11.2 #01RAI/XIA; Uncertainty to include available data.
+      -analytic -11.2E+0 00E+0 00E+0 00E+0 00E+0
+
+- 5 H+ + Hf+4 + 5 H2O = Hf(OH)5-
+      log_k -20.3 #01RAI/XIA
+      -analytic -20.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- 6 H+ + Hf+4 + 6 H2O = Hf(OH)6-2
+      log_k -32.8 #01RAI/XIA
+      -analytic -32.8E+0 00E+0 00E+0 00E+0 00E+0
+
+2 SO4-2 + Hf+4 = Hf(SO4)2
+      log_k 10.11 #65DES/KHO recalculated;Uncertainty to include available data.
+      -analytic 10.11E+0 00E+0 00E+0 00E+0 00E+0
+
+Br- + Hf+4 = HfBr+3
+      log_k 0.38 #67HAL/POH recalculated
+      -analytic 38E-2 00E+0 00E+0 00E+0 00E+0
+
+Cl- + Hf+4 = HfCl+3
+      log_k 2.2 #65DES/KHO and others recalculated
+      -analytic 22E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Cl- + Hf+4 = HfCl2+2
+      log_k 2.05 #65DES/KHO and others recalculated; Uncertainty to include available data.
+      -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0
+
+F- + Hf+4 = HfF+3
+      log_k 9.29 #05SAW/THA and others recalculated
+      -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0
+
+2 F- + Hf+4 = HfF2+2
+      log_k 17.85 #05SAW/THA and others recalculated
+      -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0
+
+3 F- + Hf+4 = HfF3+
+      log_k 25.08 #05SAW/THA and others recalculated
+      -analytic 25.08E+0 00E+0 00E+0 00E+0 00E+0
+
+4 F- + Hf+4 = HfF4
+      log_k 31.41 #05SAW/THA and others recalculated
+      -analytic 31.41E+0 00E+0 00E+0 00E+0 00E+0
+
+I- + Hf+4 = HfI+3
+      log_k 0.02 #67HAL/POH recalculated
+      -analytic 20E-3 00E+0 00E+0 00E+0 00E+0
+
+NO3- + Hf+4 = HfNO3+3
+      log_k 1.85 #65DES/KHO 69HAL/SMO recalculated; Uncertainty to include available data.
+      -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0
+
+SO4-2 + Hf+4 = HfSO4+2
+      log_k 6.06 #65DES/KHO recalculated; Uncertainty to include available data.
+      -analytic 60.6E-1 00E+0 00E+0 00E+0 00E+0
+
+CO3-2 + Hg+2 = Hg(CO3)
+      log_k 11.47 #05POW/BRO
+      -analytic 11.47E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + CO3-2 + Hg+2 = Hg(HCO3)+
+      log_k 15.8 #05POW/BRO
+      -analytic 15.8E+0 00E+0 00E+0 00E+0 00E+0
+
+HS- + Hg+2 = Hg(HS)+
+      log_k 30.5 #99BEN/GIL
+      -analytic 30.5E+0 00E+0 00E+0 00E+0 00E+0
+
+2 HS- + Hg+2 = Hg(HS)2
+      log_k 37.5 #99BEN/GIL
+      -analytic 37.5E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O + Hg+2 = Hg(OH)+
+      log_k -3.4 #05POW/BRO
+      -analytic -34E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 H2O + Hg+2 = Hg(OH)2
+      log_k -5.98 #05POW/BRO
+      delta_h 51.5 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -349.950  kJ/mol
+      -analytic 30.42413E-1 00E+0 -26.90032E+2 00E+0 00E+0
+
+- 3 H+ + 3 H2O + Hg+2 = Hg(OH)3-
+      log_k -21.1 #05POW/BRO
+      -analytic -21.1E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Cl- + H2O + Hg+2 = Hg(OH)Cl
+      log_k 4.27 #05POW/BRO
+      -analytic 42.7E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + CO3-2 + H2O + Hg+2 = Hg(OH)CO3-
+      log_k 5.33 #05POW/BRO
+      -analytic 53.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O + Hg2+2 = Hg2(OH)+
+      log_k -5 #76BAE/MES
+      -analytic -50E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O + 2 Hg+2 = Hg2(OH)+3
+      log_k -3.33 #76BAE/MES
+      -analytic -33.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 H2O + 3 Hg+2 = Hg3(OH)3+3
+      log_k -6.42 #76BAE/MES
+      -analytic -64.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Cl- + Hg+2 = HgCl+
+      log_k 7.31 #05POW/BRO
+      delta_h -21.3 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -18.170   kJ/mol
+      -analytic 35.784E-1 00E+0 11.12576E+2 00E+0 00E+0
+
+2 Cl- + Hg+2 = HgCl2
+      log_k 14 #05POW/BRO
+      delta_h -49.1 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -213.050  kJ/mol
+      -analytic 53.98049E-1 00E+0 25.64672E+2 00E+0 00E+0
+
+3 Cl- + Hg+2 = HgCl3-
+      log_k 14.93 #05POW/BRO
+      delta_h -48.6 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -379.630  kJ/mol
+      -analytic 64.15645E-1 00E+0 25.38555E+2 00E+0 00E+0
+
+4 Cl- + Hg+2 = HgCl4-2
+      log_k 15.54 #05POW/BRO
+      delta_h -59.1 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -557.210  kJ/mol
+      -analytic 51.86124E-1 00E+0 30.87008E+2 00E+0 00E+0
+
+- H+ + H2(PO4)- + Hg+2 = HgHPO4
+      log_k 2.86 #05POW/BRO
+      -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + H2(PO4)- + Hg+2 = HgPO4-
+      log_k -2.63 #05POW/BRO
+      -analytic -26.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + HS- + Hg+2 = HgS
+      log_k 26.5 #99BEN/GIL
+      -analytic 26.5E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + 2 HS- + Hg+2 = HgS(HS)-
+      log_k 32 #99BEN/GIL
+      -analytic 32E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 HS- + Hg+2 = HgS2-2
+      log_k 23.5 #99BEN/GIL
+      -analytic 23.5E+0 00E+0 00E+0 00E+0 00E+0
+
+SO4-2 + Hg+2 = HgSO4
+      log_k 2.68 #05POW/BRO
+      -analytic 26.8E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + MoO4-2 = HMoO4-
+      log_k 4.11 #68SAS/SIL, 64AVE/ANA
+      delta_h 58.576 #kJ/mol 68ARN/SZI in 76BAE/MES
+#     Enthalpy of formation: -938.424  kJ/mol
+      -analytic 14.37207E+0 00E+0 -30.59638E+2 00E+0 00E+0
+
+Ho+3 + CO3-2 = Ho(CO3)+
+      log_k 8 #95SPA/BRU
+      delta_h -55.444 #kJ/mol
+#     Enthalpy of formation: -1437.717 kJ/mol
+      -analytic -17.13372E-1 00E+0 28.96042E+2 00E+0 00E+0
+
+Ho+3 + 2 CO3-2 = Ho(CO3)2-
+      log_k 13.3 #95SPA/BRU
+      -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho+3 + 3 CO3-2 = Ho(CO3)3-3
+      log_k 14.8 #05VER/VIT2
+      -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho+3 + H2(PO4)- = Ho(H2PO4)+2
+      log_k 2.3 #95SPA/BRU
+      -analytic 23E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Ho+3 + CO3-2 = Ho(HCO3)+2
+      log_k 12.5 #95SPA/BRU
+      -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Ho+3 + H2(PO4)- = Ho(HPO4)+
+      log_k -1.41 #95SPA/BRU
+      -analytic -14.1E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Ho+3 + 2 H2(PO4)- = Ho(HPO4)2-
+      log_k -4.52 #95SPA/BRU
+      -analytic -45.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Ho+3 + NO3- = Ho(NO3)+2
+      log_k 0.5 #95SPA/BRU
+      -analytic 50E-2 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Ho+3 + H2O = Ho(OH)+2
+      log_k -7.9 #95SPA/BRU
+      delta_h 53.296 #kJ/mol
+#     Enthalpy of formation: -939.576  kJ/mol
+      -analytic 14.37058E-1 00E+0 -27.83844E+2 00E+0 00E+0
+
+- 2 H+ + Ho+3 + 2 H2O = Ho(OH)2+
+      log_k -15.7 #07NEC/ALT2
+      delta_h 105.862 #kJ/mol
+#     Enthalpy of formation: -1172.840 kJ/mol
+      -analytic 28.46226E-1 00E+0 -55.29557E+2 00E+0 00E+0
+
+- 3 H+ + Ho+3 + 3 H2O = Ho(OH)3
+      log_k -26.2 #07NEC/ALT2
+      delta_h 164.617 #kJ/mol
+#     Enthalpy of formation: -1399.915 kJ/mol
+      -analytic 26.3966E-1 00E+0 -85.98545E+2 00E+0 00E+0
+
+- 4 H+ + Ho+3 + 4 H2O = Ho(OH)4-
+      log_k -40.7 #07NEC/ALT2
+      delta_h 236.939 #kJ/mol
+#     Enthalpy of formation: -1613.422 kJ/mol
+      -analytic 80.99309E-2 00E+0 -12.37619E+3 00E+0 00E+0
+
+- 2 H+ + Ho+3 + H2(PO4)- = Ho(PO4)
+      log_k -6.96 #95SPA/BRU
+      -analytic -69.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + Ho+3 + 2 H2(PO4)- = Ho(PO4)2-3
+      log_k -17.82 #95SPA/BRU
+      -analytic -17.82E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho+3 + SO4-2 = Ho(SO4)+
+      log_k 3.4 #95SPA/BRU
+      delta_h 15.384 #kJ/mol
+#     Enthalpy of formation: -1600.998 kJ/mol
+      -analytic 60.95161E-1 00E+0 -80.35623E+1 00E+0 00E+0
+
+Ho+3 + 2 SO4-2 = Ho(SO4)2-
+      log_k 4.9 #95SPA/BRU
+      delta_h 23.668 #kJ/mol
+#     Enthalpy of formation: -2502.054 kJ/mol
+      -analytic 90.46456E-1 00E+0 -12.36266E+2 00E+0 00E+0
+
+Ho+3 + Cl- = HoCl+2
+      log_k 0.74 #Original data from 01LUO/BYR and 04LUO/BYR
+      delta_h 7.959 #kJ/mol
+#     Enthalpy of formation: -866.163  kJ/mol
+      -analytic 21.34357E-1 00E+0 -41.57275E+1 00E+0 00E+0
+
+Ho+3 + 2 Cl- = HoCl2+
+      log_k -0.29 #81TUR/WHI
+      delta_h 25.862 #kJ/mol
+#     Enthalpy of formation: -1015.340 kJ/mol
+      -analytic 42.40828E-1 00E+0 -13.50866E+2 00E+0 00E+0
+
+Ho+3 + F- = HoF+2
+      log_k 4.33 #07LUO/BYR
+      delta_h 10.02 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -1032.372 kJ/mol
+      -analytic 60.85429E-1 00E+0 -52.33811E+1 00E+0 00E+0
+
+Ho+3 + 2 F- = HoF2+
+      log_k 6.52 #Original data from 99SCH/BYR and 04LUO/BYR
+      delta_h 21.11 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -1356.632 kJ/mol
+      -analytic 10.21831E+0 00E+0 -11.02652E+2 00E+0 00E+0
+
+- H+ + Ho+3 + H4(SiO4) = HoSiO(OH)3+2
+      log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO1
+      -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + Phthalat-2 = HPhthalat-
+      log_k 5.34 #10RIC/SAB1
+      -analytic 53.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2(PO4)- = HPO4-2
+      log_k -7.21
+      delta_h 3.6 #kJ/mol
+#     Enthalpy of formation: -1299.000 kJ/mol  89COX/WAG
+      -analytic -65.79307E-1 00E+0 -18.80411E+1 00E+0 00E+0
+
+H+ + S2O4-2 = HS2O4-
+      log_k 2.5 #04CHI
+      delta_h 3.818 #kJ/mol
+#     Enthalpy of formation: -749.683  kJ/mol
+      -analytic 31.68885E-1 00E+0 -19.9428E+1 00E+0 00E+0
+
+- H+ - 2 e- + SO4-2 + H2O = HSO5-
+      log_k -60.21
+      delta_h 419.54 #kJ/mol
+#     Enthalpy of formation: -775.630  kJ/mol  88SHO/HEL
+      -analytic 13.29025E+0 00E+0 -21.9141E+3 00E+0 00E+0
+
+- 2 e- + 3 I- = I3-
+# DLP: This species will be in the I(-1) mole balance
+      log_k -18.17
+      delta_h 118.877 #kJ/mol
+#     Enthalpy of formation: -51.463   kJ/mol  92JOH/OEL
+      -analytic 26.56356E-1 00E+0 -62.09378E+2 00E+0 00E+0
+	  
+- 2 e- + 2 Cl- + I- = ICl2-
+# DLP: This species will be in the I(-1) and Cl(-1) mole balances
+      log_k -26.8 #96FAL/REA
+      -analytic -26.8E+0 00E+0 00E+0 00E+0 00E+0
+	  
+- 2 H+ - 2 e- + I- + H2O = IO-
+      log_k -44 #96FAL/REA
+      -analytic -44E+0 00E+0 00E+0 00E+0 00E+0
+
+- 8 H+ - 8 e- + I- + 4 H2O = IO4-
+      log_k -164.98
+      delta_h 1048.639 #kJ/mol
+#     Enthalpy of formation: -151.461  kJ/mol  92JOH/OEL
+      -analytic 18.73367E+0 00E+0 -54.77423E+3 00E+0 00E+0
+
+K+ + Edta-4 = K(Edta)-3
+      log_k 1.8 #05HUM/AND
+      -analytic 18E-1 00E+0 00E+0 00E+0 00E+0
+
+K+ + H+ + Nta-3 = K(HNta)-
+      log_k 10.3 #95AKR/BOU
+      -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0
+
+K+ - H+ + H2(PO4)- = K(HPO4)-
+      log_k -6.4 #97MAR/SMI
+      delta_h 31.589 #kJ/mol 97MAR/SMI
+#     Enthalpy of formation: -1523.151 kJ/mol
+      -analytic -86.58448E-2 00E+0 -16.50008E+2 00E+0 00E+0
+
+K+ + IO3- = K(IO3)
+      log_k 0.02 #estimation NEA87 08/2/95
+      -analytic 20E-3 00E+0 00E+0 00E+0 00E+0
+
+K+ + Nta-3 = K(Nta)-2
+      log_k 1.3 #95AKR/BOU
+      -analytic 13E-1 00E+0 00E+0 00E+0 00E+0
+
+K+ + Pyrophos-4 = K(Pyrophos)-3
+      log_k 2.1 #76MAR/SMI
+      delta_h 7.113 #kJ/mol 76MAR/SMI
+      -analytic 33.46144E-1 00E+0 -37.15379E+1 00E+0 00E+0
+
+K+ + I- = KI
+      log_k -1.57
+      delta_h 9.011 #kJ/mol
+#     Enthalpy of formation: -299.909  kJ/mol  92JOH/OEL
+      -analytic 86.59435E-4 00E+0 -47.06773E+1 00E+0 00E+0
+
+K+ - 2 H+ + H2(PO4)- = KPO4-2
+      log_k -18.26 #97MAR/SMI
+      -analytic -18.26E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + Cit-3 = Mg(Cit)-
+      log_k 4.81 #05HUM/AND
+      -analytic 48.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + CO3-2 = Mg(CO3)
+      log_k 2.98 #97SVE/SHO
+      delta_h 8.81 #kJ/mol
+#     Enthalpy of formation: -1133.420 kJ/mol
+      -analytic 45.23446E-1 00E+0 -46.01783E+1 00E+0 00E+0
+
+Mg+2 + Edta-4 = Mg(Edta)-2
+      log_k 10.9 #05HUM/AND
+      delta_h 19.8 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2152.000 kJ/mol
+      -analytic 14.36881E+0 00E+0 -10.34226E+2 00E+0 00E+0
+
+Mg+2 + 2 H+ + Cit-3 = Mg(H2Cit)+
+      log_k 12.45 #05HUM/AND
+      -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + H2(PO4)- = Mg(H2PO4)+
+      log_k 1.17 #81TUR/WHI
+      delta_h 13.514 #kJ/mol 96BOU1
+#     Enthalpy of formation: -1756.086 kJ/mol
+      -analytic 35.37551E-1 00E+0 -70.58854E+1 00E+0 00E+0
+
+Mg+2 - H+ + H4(SiO4) = Mg(H3SiO4)+
+      log_k -8.58 #97SVE/SHO
+      delta_h 27.114 #kJ/mol
+#     Enthalpy of formation: -1901.080 kJ/mol
+      -analytic -38.29831E-1 00E+0 -14.16263E+2 00E+0 00E+0
+
+Mg+2 + H+ + Cit-3 = Mg(HCit)
+      log_k 8.96 #05HUM/AND
+      -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + H+ + CO3-2 = Mg(HCO3)+
+      log_k 11.37 #95SHO/KOR
+      delta_h -12.888 #kJ/mol
+#     Enthalpy of formation: -1155.118 kJ/mol
+      -analytic 91.12119E-1 00E+0 67.31871E+1 00E+0 00E+0
+
+Mg+2 + H+ + Edta-4 = Mg(HEdta)-
+      log_k 15.4 #05HUM/AND
+      -analytic 15.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + HGlu- = Mg(HGlu)+
+      log_k 0.81 #19KUT/DUD
+      -analytic 81E-2 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + HIsa- = Mg(HIsa)+
+      log_k 0.81 #Analogy with Mg(HGlu)+
+      -analytic 81E-2 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + H+ + Malonate-2 = Mg(HMalonate)+
+      log_k 7.05 #13GRI/CAM
+      -analytic 70.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - H+ + H2(PO4)- = Mg(HPO4)
+      log_k -4.3 #76SMI/MAR
+      delta_h 16.152 #kJ/mol 76SMI/MAR
+#     Enthalpy of formation: -1753.448 kJ/mol
+      -analytic -14.70291E-1 00E+0 -84.36777E+1 00E+0 00E+0
+
+Mg+2 + H+ + Succinat-2 = Mg(HSuccinat)+
+      log_k 6.72 #13GRI/CAM
+      -analytic 67.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + IO3- = Mg(IO3)+
+      log_k 0.7 #estimation NEA87 08/2/95
+      -analytic 70E-2 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + Malonate-2 = Mg(Malonate)
+      log_k 2.86 #76KLA/OST
+      -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + NH3 = Mg(NH3)+2
+      log_k 0.1
+      delta_h 0.022 #kJ/mol
+#     Enthalpy of formation: -548.148  kJ/mol  03-91 MINTEQL-PSI
+      -analytic 10.38542E-2 00E+0 -11.4914E-1 00E+0 00E+0
+
+Mg+2 + 2 NH3 = Mg(NH3)2+2
+      log_k 0
+      delta_h 0.044 #kJ/mol
+#     Enthalpy of formation: -629.296  kJ/mol  03-91 MINTEQL-PSI
+      -analytic 77.08469E-4 00E+0 -22.9828E-1 00E+0 00E+0
+
+Mg+2 + 3 NH3 = Mg(NH3)3+2
+      log_k -0.3
+      delta_h 0.066 #kJ/mol
+#     Enthalpy of formation: -710.444  kJ/mol  03-91 MINTEQL-PSI
+      -analytic -28.84373E-2 00E+0 -34.4742E-1 00E+0 00E+0
+
+Mg+2 + 4 NH3 = Mg(NH3)4+2
+      log_k -1
+      delta_h 0.088 #kJ/mol
+#     Enthalpy of formation: -791.592  kJ/mol  03-91 MINTEQL-PSI
+      -analytic -98.45831E-2 00E+0 -45.9656E-1 00E+0 00E+0
+
+Mg+2 + Nta-3 = Mg(Nta)-
+      log_k 6.79 #95AKR/BOU
+      -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - H+ + HGlu- + H2O = Mg(OH)(HGlu)
+      log_k -9.1 #19KUT/DUD
+      -analytic -91E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - H+ + HIsa- + H2O = Mg(OH)(HIsa)
+      log_k -9.1 #Analogy with Mg(OH)(HGlu)
+      -analytic -91E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - H+ + H2O = Mg(OH)+
+      log_k -11.68 #97SHO/SAS2; Uncertainty to include available data.
+      delta_h 62.834 #kJ/mol
+#     Enthalpy of formation: -689.995  kJ/mol
+      -analytic -67.19557E-2 00E+0 -32.82048E+2 00E+0 00E+0
+
+Mg+2 - 2 H+ + HGlu- + 2 H2O = Mg(OH)2(HGlu)-
+      log_k -20.44 #19KUT/DUD
+      -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - 2 H+ + HIsa- + 2 H2O = Mg(OH)2(HIsa)-
+      log_k -20.44 #Analogy with Mg(OH)2(HGlu)-
+      -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + Ox-2 = Mg(Ox)
+      log_k 3.56 #05HUM/AND
+      -analytic 35.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + 2 Ox-2 = Mg(Ox)2-2
+      log_k 5.17 #05HUM/AND
+      -analytic 51.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 - 2 H+ + H2(PO4)- = Mg(PO4)-
+      log_k -14.71 #81TUR/WHI
+      delta_h 31.17 #kJ/mol 96BOU1
+#     Enthalpy of formation: -1738.430 kJ/mol
+      -analytic -92.4925E-1 00E+0 -16.28122E+2 00E+0 00E+0
+
+Mg+2 + Pyrophos-4 = Mg(Pyrophos)-2
+      log_k 7.2 #76SMI/MAR
+      delta_h 12.54 #kJ/mol
+      -analytic 93.96914E-1 00E+0 -65.50098E+1 00E+0 00E+0
+
+Mg+2 + S2O3-2 = Mg(S2O3)
+      log_k 1.82 #76SMI/MAR
+      -analytic 18.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + SeO4-2 = Mg(SeO4)
+      log_k 2.2 #05OLI/NOL
+      delta_h -6.614 #kJ/mol
+#     Enthalpy of formation: -1077.114 kJ/mol
+      -analytic 10.41277E-1 00E+0 34.54733E+1 00E+0 00E+0
+
+Mg+2 + SO4-2 = Mg(SO4)
+      log_k 2.23 #76SMI/MAR
+      delta_h 5.858 #kJ/mol 76SMI/MAR
+#     Enthalpy of formation: -1370.482 kJ/mol
+      -analytic 32.56278E-1 00E+0 -30.59847E+1 00E+0 00E+0
+
+Mg+2 + Succinat-2 = Mg(Succinat)
+      log_k 2.27 #13GRI/CAM
+      -analytic 22.7E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Mg+2 + UO2+2 + 3 CO3-2 = Mg2UO2(CO3)3
+      log_k 27.1 #20GRE/GAO
+      -analytic 27.1E+0 00E+0 00E+0 00E+0 00E+0
+
+4 Mg+2 - 4 H+ + 4 H2O = Mg4(OH)4+4
+      log_k -39.75 #76BAE/MES
+      delta_h 229.186 #kJ/mol
+#     Enthalpy of formation: -2782.132 kJ/mol
+      -analytic 40.16637E-2 00E+0 -11.97122E+3 00E+0 00E+0
+
+Mg+2 + B(OH)4- = MgB(OH)4+
+      log_k 1.6 #97CRO
+      -analytic 16E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + Br- = MgBr+
+      log_k -0.14 #88CHA/NEW
+      -analytic -14E-2 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + Cl- = MgCl+
+      log_k 0.35 #96BOU1
+      delta_h -1.728 #kJ/mol
+#     Enthalpy of formation: -635.808  kJ/mol
+      -analytic 47.2674E-3 00E+0 90.25973E+0 00E+0 00E+0
+
+Mg+2 + F- = MgF+
+      log_k 1.8 #96BOU
+      delta_h 13.389 #kJ/mol 96BOU
+#     Enthalpy of formation: -788.961  kJ/mol
+      -analytic 41.45652E-1 00E+0 -69.93562E+1 00E+0 00E+0
+
+Mg+2 + I- = MgI+
+      log_k 0.18 #92JOH/OEL
+      -analytic 18E-2 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + 2 I- = MgI2
+      log_k 0.03 #92JOH/OEL
+      -analytic 30E-3 00E+0 00E+0 00E+0 00E+0
+
+Mg+2 + UO2+2 + 3 CO3-2 = MgUO2(CO3)3-2
+      log_k 26.2 #20GRE/GAO
+      delta_h -50.9 #kJ/mol 21SHA/REI
+#     Enthalpy of formation: -3562.590 kJ/mol
+      -analytic 17.2827E+0 00E+0 26.58692E+2 00E+0 00E+0
+
+Mn+2 + CO3-2 = Mn(CO3)
+      log_k 6.5 #96FAL/REA
+      -analytic 65E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + H+ + CO3-2 = Mn(HCO3)+
+      log_k 11.61 #95CHI
+      -analytic 11.61E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - H+ + H2(PO4)- = Mn(HPO4)
+      log_k -3.26 #96FAL/REA
+      -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - 2 H+ + 2 H2(PO4)- = Mn(HPO4)2-2
+      log_k -9.12 #96FAL/REA
+      -analytic -91.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + IO3- = Mn(IO3)+
+      log_k 0.84 #estimation NEA87 08/2/95
+      -analytic 84E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 2 IO3- = Mn(IO3)2
+      log_k 0.13 #estimation NEA87 08/2/95
+      -analytic 13E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + NH3 = Mn(NH3)+2
+      log_k 0.7 #88CHA/NEW
+      -analytic 70E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 2 NH3 = Mn(NH3)2+2
+      log_k 1.2 #88CHA/NEW
+      -analytic 12E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + NO3- = Mn(NO3)+
+      log_k 0.16 #96FAL/REA
+      -analytic 16E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 2 NO3- = Mn(NO3)2
+      log_k 0.5 #96FAL/REA
+      -analytic 50E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - H+ + H2O = Mn(OH)+
+      log_k -10.59 #95CHI
+      -analytic -10.59E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - 2 H+ + 2 H2O = Mn(OH)2
+      log_k -22.2 #95CHI
+      -analytic -22.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - 3 H+ + 3 H2O = Mn(OH)3-
+      log_k -34.8 #95CHI
+      -analytic -34.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - 4 H+ + 4 H2O = Mn(OH)4-2
+      log_k -48.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
+      -analytic -48.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + Pyrophos-4 = Mn(Pyrophos)-2
+      log_k 6 #88CHA/NEW
+      -analytic 60E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + S2O3-2 = Mn(S2O3)
+      log_k 1.9 #88CHA/NEW
+      -analytic 19E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + SeO4-2 = Mn(SeO4)
+      log_k 2.43 #05OLI/NOL
+      delta_h -1.56 #kJ/mol
+#     Enthalpy of formation: -825.861  kJ/mol
+      -analytic 21.567E-1 00E+0 81.48448E+0 00E+0 00E+0
+
+Mn+2 + SO4-2 = Mn(SO4)
+      log_k 2.25 #95CHI
+      delta_h 14.1 #kJ/mol 95CHI
+#     Enthalpy of formation: -1116.040 kJ/mol
+      -analytic 47.20214E-1 00E+0 -73.64943E+1 00E+0 00E+0
+
+Mn+2 - e- = Mn+3
+      log_k -25.51 #96FAL/REA
+      -analytic -25.51E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Mn+2 - H+ + H2O = Mn2(OH)+3
+      log_k -10.1 #96FAL/REA
+      -analytic -10.1E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Mn+2 - 3 H+ + 3 H2O = Mn2(OH)3+
+      log_k -24.9 #96FAL/REA
+      -analytic -24.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + Br- = MnBr+
+      log_k 0.13 #88CHA/NEW
+      -analytic 13E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + Cl- = MnCl+
+      log_k 0.27
+      delta_h 18.516 #kJ/mol
+#     Enthalpy of formation: -369.364  kJ/mol  97SVE/SHO
+      -analytic 35.13864E-1 00E+0 -96.7158E+1 00E+0 00E+0
+
+Mn+2 + 2 Cl- = MnCl2
+      log_k 0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
+      -analytic 25E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 3 Cl- = MnCl3-
+      log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
+      -analytic -31E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + F- = MnF+
+      log_k 0.85 #96FAL/REA
+      -analytic 85E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 2 F- = MnF2
+      log_k 9.04 #88CHA/NEW
+      -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 3 F- = MnF3-
+      log_k 11.64 #88CHA/NEW
+      -analytic 11.64E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 4 F- = MnF4-2
+      log_k 13.4 #88CHA/NEW
+      -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 5 F- = MnF5-3
+      log_k 14.7 #88CHA/NEW
+      -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + 6 F- = MnF6-4
+      log_k 15.5 #88CHA/NEW
+      -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 + I- = MnI+
+      log_k 0.23 #92JOH/OEL
+      -analytic 23E-2 00E+0 00E+0 00E+0 00E+0
+
+Mn+2 - 8 H+ - 5 e- + 4 H2O = MnO4-
+      log_k -127.81
+      delta_h 822.71 #kJ/mol
+#     Enthalpy of formation: -541.410  kJ/mol  92JOH/OEL
+      -analytic 16.3226E+0 00E+0 -42.97314E+3 00E+0 00E+0
+
+Mn+2 - 8 H+ - 4 e- + 4 H2O = MnO4-2
+      log_k -118.43
+      delta_h 711.416 #kJ/mol
+#     Enthalpy of formation: -652.704  kJ/mol  92JOH/OEL
+      -analytic 62.04733E-1 00E+0 -37.15985E+3 00E+0 00E+0
+
+Mn+2 - 8 H+ - 3 e- + 4 H2O = MnO4-3
+      log_k -113 #96FAL/REA
+      -analytic -11.3E+1 00E+0 00E+0 00E+0 00E+0
+
+8 H+ + 3 e- + MoO4-2 - 4 H2O = Mo+3
+      log_k 21.76 #68SAS/SIL
+      -analytic 21.76E+0 00E+0 00E+0 00E+0 00E+0
+
+34 H+ + 19 MoO4-2 - 17 H2O = Mo19O59-4
+      log_k 196.3 #68SAS/SIL
+      -analytic 19.63E+1 00E+0 00E+0 00E+0 00E+0
+
+5 H+ + 2 MoO4-2 - 2 H2O = Mo2O5(OH)+
+      log_k 19 #68SAS/SIL
+      -analytic 19E+0 00E+0 00E+0 00E+0 00E+0
+
+11 H+ + 7 MoO4-2 - 4 H2O = Mo7O21(OH)3-3
+      log_k 66.48 #68SAS/SIL, 64AVE/ANA
+      delta_h -222.589 #kJ/mol 68ARN/SZI in 76BAE/MES
+#     Enthalpy of formation: -6058.269 kJ/mol
+      -analytic 27.48408E+0 00E+0 11.62663E+3 00E+0 00E+0
+
+10 H+ + 7 MoO4-2 - 4 H2O = Mo7O22(OH)2-4
+      log_k 62.71 #68SAS/SIL, 64AVE/ANA
+      delta_h -220.079 #kJ/mol 68ARN/SZI in 76BAE/MES
+#     Enthalpy of formation: -6055.759 kJ/mol
+      -analytic 24.15381E+0 00E+0 11.49553E+3 00E+0 00E+0
+
+9 H+ + 7 MoO4-2 - 4 H2O = Mo7O23(OH)-5
+      log_k 57.21 #68SAS/SIL, 64AVE/ANA
+      delta_h -223.426 #kJ/mol 68ARN/SZI in 76BAE/MES
+#     Enthalpy of formation: -6059.106 kJ/mol
+      -analytic 18.06745E+0 00E+0 11.67035E+3 00E+0 00E+0
+
+8 H+ + 7 MoO4-2 - 4 H2O = Mo7O24-6
+      log_k 50.35 #68SAS/SIL, 64AVE/ANA
+      delta_h -234.304 #kJ/mol 68ARN/SZI in 76BAE/MES
+#     Enthalpy of formation: -6069.984 kJ/mol
+      -analytic 93.01701E-1 00E+0 12.23855E+3 00E+0 00E+0
+
+Na+ + CO3-2 = Na(CO3)-
+      log_k 1.27 #90NOR/PLU
+      delta_h 37.279 #kJ/mol 90NOR/PLU
+#     Enthalpy of formation: -878.291  kJ/mol
+      -analytic 78.01E-1 00E+0 -19.47218E+2 00E+0 00E+0
+
+Na+ + Edta-4 = Na(Edta)-3
+      log_k 2.8 #05HUM/AND
+      delta_h -4 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1949.140 kJ/mol
+      -analytic 20.9923E-1 00E+0 20.89346E+1 00E+0 00E+0
+
+Na+ + H+ + CO3-2 = Na(HCO3)
+      log_k 10.08 #90NOR/PLU
+      delta_h -26.127 #kJ/mol
+#     Enthalpy of formation: -941.697  kJ/mol
+      -analytic 55.02746E-1 00E+0 13.64708E+2 00E+0 00E+0
+
+Na+ + H+ + Nta-3 = Na(HNta)-
+      log_k 10.32 #95AKR/BOU
+      -analytic 10.32E+0 00E+0 00E+0 00E+0 00E+0
+
+Na+ - H+ + H2(PO4)- = Na(HPO4)-
+      log_k -6.34 #97MAR/SMI
+      delta_h 34.936 #kJ/mol 97MAR/SMI
+#     Enthalpy of formation: -1508.004 kJ/mol
+      -analytic -21.94755E-2 00E+0 -18.24834E+2 00E+0 00E+0
+
+Na+ + IO3- = Na(IO3)
+      log_k 0.06 #estimation NEA87 08/2/95
+      -analytic 60E-3 00E+0 00E+0 00E+0 00E+0
+
+Na+ + Nta-3 = Na(Nta)-2
+      log_k 1.88 #95AKR/BOU
+      -analytic 18.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Na+ + S2O3-2 = Na(S2O3)-
+      log_k 0.61
+      delta_h 4.656 #kJ/mol
+#     Enthalpy of formation: -887.970  kJ/mol  82WAG/EVA
+      -analytic 14.25696E-1 00E+0 -24.31998E+1 00E+0 00E+0
+
+2 Na+ + Pyrophos-4 = Na2(Pyrophos)-2
+      log_k 2.29 #76SMI/MAR
+      delta_h 5.858 #kJ/mol 76SMI/MAR
+      -analytic 33.16278E-1 00E+0 -30.59847E+1 00E+0 00E+0
+
+Na+ + Al+3 - 4 H+ + 4 H2O = NaAl(OH)4
+      log_k -23.63
+      delta_h 190.348 #kJ/mol
+#     Enthalpy of formation: -1731.712 kJ/mol  95POK/HEL
+      -analytic 97.17538E-1 00E+0 -99.42568E+2 00E+0 00E+0
+
+Na+ + B(OH)4- = NaB(OH)4
+      log_k -0.1
+      delta_h 1.226 #kJ/mol
+#     Enthalpy of formation: -1584.230 kJ/mol
+      -analytic 11.4786E-2 00E+0 -64.03844E+0 00E+0 00E+0
+
+Na+ + F- = NaF
+      log_k -0.45 #96BOU
+      delta_h -12.552 #kJ/mol 96BOU
+#     Enthalpy of formation: -588.242  kJ/mol
+      -analytic -26.49016E-1 00E+0 65.56366E+1 00E+0 00E+0
+
+Na+ + H2(PO4)- = NaH2PO4
+      log_k 0.41 #97MAR/SMI
+      -analytic 41E-2 00E+0 00E+0 00E+0 00E+0
+
+Na+ + I- = NaI
+      log_k -1.52
+      delta_h 7.252 #kJ/mol
+#     Enthalpy of formation: -289.868  kJ/mol  92JOH/OEL
+      -analytic -24.95041E-2 00E+0 -37.87983E+1 00E+0 00E+0
+
+Na+ - 2 H+ + H2(PO4)- = NaPO4-2
+      log_k -18.07 #97MAR/SMI
+      -analytic -18.07E+0 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + Nb(OH)6- - 3 H2O = Nb(OH)3+2
+      log_k 7.5 #97PEI/NGU
+      delta_h -10.23 #kJ/mol 97PEI/NGU
+#     Enthalpy of formation: -1078.398 kJ/mol
+      -analytic 57.07781E-1 00E+0 53.43501E+1 00E+0 00E+0
+
+2 H+ + Nb(OH)6- - 2 H2O = Nb(OH)4+
+      log_k 6.64 #97PEI/NGU
+      delta_h -35.35 #kJ/mol 97PEI/NGU
+#     Enthalpy of formation: -1389.348 kJ/mol
+      -analytic 44.69458E-2 00E+0 18.46459E+2 00E+0 00E+0
+
+H+ + Nb(OH)6- - H2O = Nb(OH)5
+      log_k 5.08 #97PEI/NGU
+      delta_h -13.39 #kJ/mol 97PEI/NGU
+#     Enthalpy of formation: -1653.218 kJ/mol
+      -analytic 27.34173E-1 00E+0 69.94084E+1 00E+0 00E+0
+
+- H+ + Nb(OH)6- + H2O = Nb(OH)7-2
+      log_k -8.88 #97PEI/NGU
+      delta_h 10.17 #kJ/mol 97PEI/NGU
+#     Enthalpy of formation: -2201.318 kJ/mol
+      -analytic -70.98292E-1 00E+0 -53.12161E+1 00E+0 00E+0
+
+5 H+ + Nb(OH)6- + Cit-3 - 4 H2O = NbO2(H3Cit)+
+      log_k 25.64 #95AKR/BOU
+      -analytic 25.64E+0 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(HOx)
+      log_k 13.7 #95AKR/BOU
+      -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0
+
+4 H+ + Nb(OH)6- + 2 Ox-2 - 4 H2O = NbO2(HOx)2-
+      log_k 20.96 #95AKR/BOU
+      -analytic 20.96E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(Ox)-
+      log_k 10.94 #95AKR/BOU
+      -analytic 10.94E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + NH3 = NH4+
+      log_k 9.24
+      delta_h -52.09 #kJ/mol
+#     Enthalpy of formation: -133.260  kJ/mol  92GRE/FUG
+      -analytic 11.42237E-2 00E+0 27.2085E+2 00E+0 00E+0
+
+Ni+2 + Acetate- = Ni(Acetate)+
+      log_k 1.34 #11RIC/GRI
+      delta_h -8.761 #kJ/mol
+#     Enthalpy of formation: -549.783  kJ/mol
+      -analytic -19.48613E-2 00E+0 45.76189E+1 00E+0 00E+0
+
+Ni+2 + Cit-3 = Ni(Cit)-
+      log_k 6.76 #05HUM/AND
+      -analytic 67.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 Cit-3 = Ni(Cit)2-4
+      log_k 8.5 #05HUM/AND
+      -analytic 85E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + CO3-2 = Ni(CO3)
+      log_k 4.2 #03BAE/BRA in 05GAM/BUG
+      delta_h 3.546 #kJ/mol
+#     Enthalpy of formation: -726.696  kJ/mol
+      -analytic 48.21233E-1 00E+0 -18.52205E+1 00E+0 00E+0
+
+Ni+2 + 2 CO3-2 = Ni(CO3)2-2
+      log_k 6.2 #03BAE/BRA; Uncertainty 03HUM/CUR
+      -analytic 62E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + Edta-4 = Ni(Edta)-2
+      log_k 20.54 #05HUM/AND
+      delta_h -26.1 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1785.912 kJ/mol
+      -analytic 15.96748E+0 00E+0 13.63298E+2 00E+0 00E+0
+
+Ni+2 + 2 H+ + Cit-3 = Ni(H2Cit)+
+      log_k 13.19 #05HUM/AND
+      -analytic 13.19E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + H+ + Cit-3 = Ni(HCit)
+      log_k 10.52 #05HUM/BER
+      -analytic 10.52E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + H+ + CO3-2 = Ni(HCO3)+
+      log_k 11.73 #03BAE/BRA; Uncertainty 03HUM/CUR
+      -analytic 11.73E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + H+ + Edta-4 = Ni(HEdta)-
+      log_k 24.2 #05HUM/AND
+      -analytic 24.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - H+ + H2(PO4)- = Ni(HPO4)
+      log_k -4.16 #05GAM/BUG
+      -analytic -41.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 HS- = Ni(HS)2
+      log_k 11.1 #02HUM/BER
+      -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + Malonate-2 = Ni(Malonate)
+      log_k 4.39 #13GRI/CAM
+      -analytic 43.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 Malonate-2 = Ni(Malonate)2-2
+      log_k 8.15 #98KHA/RAD
+      -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + NH3 = Ni(NH3)+2
+      log_k 2.61 #70LET
+      -analytic 26.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 NH3 = Ni(NH3)2+2
+      log_k 4.76 #70LET
+      -analytic 47.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 3 NH3 = Ni(NH3)3+2
+      log_k 6.79 #70LET
+      -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 4 NH3 = Ni(NH3)4+2
+      log_k 8.34 #70LET
+      -analytic 83.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + NO3- = Ni(NO3)+
+      log_k 0.5 #05GAM/BUG
+      -analytic 50E-2 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 NO3- = Ni(NO3)2
+      log_k -0.6 #76SMI/MAR in 89BAE/McK; Uncertainty is by analogy with Ni(NO3)+ and is preliminary.
+      -analytic -60E-2 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + Nta-3 = Ni(Nta)-
+      log_k 12.75 #95AKR/BOU
+      -analytic 12.75E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 Nta-3 = Ni(Nta)2-4
+      log_k 16.95 #95AKR/BOU
+      -analytic 16.95E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - H+ + Edta-4 + H2O = Ni(OH)(Edta)-3
+      log_k 6.5 #04FEL/QAF
+      -analytic 65E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - H+ + HIsa- + H2O = Ni(OH)(HIsa)
+      log_k -6.5 #18GON/GAO
+      -analytic -65E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - H+ + Nta-3 + H2O = Ni(OH)(Nta)-2
+      log_k 1.47 #95AKR/BOU
+      -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - H+ + H2O = Ni(OH)+
+      log_k -9.54 #05GAM/BUG
+      delta_h 53.8 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -287.042  kJ/mol
+      -analytic -11.46446E-2 00E+0 -28.1017E+2 00E+0 00E+0
+
+Ni+2 - 2 H+ + 2 H2O = Ni(OH)2
+      log_k -18 #49GAY/GAR reevaluated in 05GAM/BUG
+      -analytic -18E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - 2 H+ + HIsa- + 2 H2O = Ni(OH)2(HIsa)-
+      log_k -17.6 #18GON/GAO
+      -analytic -17.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - 3 H+ + H2(PO4)- + 2 H2O = Ni(OH)2(HPO4)-2
+      log_k -23.24 #95LEM
+      -analytic -23.24E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 - 3 H+ + HIsa- + 3 H2O = Ni(OH)3(HIsa)-2
+      log_k -31 #18GON/GAO
+      -analytic -31E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + Ox-2 = Ni(Ox)
+      log_k 5.19 #05HUM/AND
+      delta_h 0 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -885.672  kJ/mol
+      -analytic 51.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + 2 Ox-2 = Ni(Ox)2-2
+      log_k 7.64 #05HUM/AND
+      delta_h -7.8 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1724.132 kJ/mol
+      -analytic 62.73499E-1 00E+0 40.74224E+1 00E+0 00E+0
+
+Ni+2 + Phthalat-2 = Ni(Phthalat)
+      log_k 3 #11GRI/COL2
+      -analytic 30E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + Pyrophos-4 = Ni(Pyrophos)-2
+      log_k 8.73 #05GAM/BUG
+      -analytic 87.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + S2O3-2 = Ni(S2O3)
+      log_k 2.06 #51DEU/HEI in 64SIL/MAR
+      -analytic 20.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + SeO4-2 = Ni(SeO4)
+      log_k 2.67 #05OLI/NOL
+      delta_h -0.68 #kJ/mol
+#     Enthalpy of formation: -659.192  kJ/mol
+      -analytic 25.50869E-1 00E+0 35.51887E+0 00E+0 00E+0
+
+Ni+2 + SO4-2 = Ni(SO4)
+      log_k 2.35 #05GAM/BUG
+      delta_h 5.66 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -958.692  kJ/mol
+      -analytic 33.41589E-1 00E+0 -29.56424E+1 00E+0 00E+0
+
+Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+      log_k 3.01 #89BAE/McK
+      -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Ni+2 - H+ + H2O = Ni2(OH)+3
+      log_k -10.6 #05GAM/BUG
+      delta_h 45.9 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -349.954  kJ/mol
+      -analytic -25.58665E-1 00E+0 -23.97524E+2 00E+0 00E+0
+
+4 Ni+2 - 4 H+ + 4 H2O = Ni4(OH)4+4
+      log_k -27.52 #05GAM/BUG
+      delta_h 190 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -1173.368 kJ/mol
+      -analytic 57.66571E-1 00E+0 -99.24391E+2 00E+0 00E+0
+
+Ni+2 + Cl- = NiCl+
+      log_k 0.08 #05GAM/BUG
+      -analytic 80E-3 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + F- = NiF+
+      log_k 1.43 #05GAM/BUG
+      delta_h 9.5 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -380.862  kJ/mol
+      -analytic 30.94329E-1 00E+0 -49.62196E+1 00E+0 00E+0
+
+Ni+2 + H+ + AsO4-3 = NiHAsO4
+      log_k 14.5
+      -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + H+ + Pyrophos-4 = NiHPyrophos-
+      log_k 14.54 #05GAM/BUG
+      -analytic 14.54E+0 00E+0 00E+0 00E+0 00E+0
+
+Ni+2 + HS- = NiHS+
+      log_k 5.5 #02HUM/BER
+      -analytic 55E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + Acetate- = Np(Acetate)+3
+      log_k 5.83 #12GRI/GAR2
+      -analytic 58.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 2 Acetate- = Np(Acetate)2+2
+      log_k 10 #11RIC/GRI
+      -analytic 10E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + CO3-2 = Np(CO3)+
+      log_k 7.67 #Estimated by correlation with An(III) in function of ionic radii
+      delta_h 19.064 #kJ/mol
+#     Enthalpy of formation: -1183.350 kJ/mol
+      -analytic 11.00987E+0 00E+0 -99.57821E+1 00E+0 00E+0
+
+Np+3 + 2 CO3-2 = Np(CO3)2-
+      log_k 12.6 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + 3 CO3-2 = Np(CO3)3-3
+      log_k 15.66 #01LEM/FUG
+      -analytic 15.66E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 4 CO3-2 = Np(CO3)4-4
+      log_k 36.68 #01LEM/FUG
+      -analytic 36.68E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 5 CO3-2 = Np(CO3)5-6
+      log_k 35.61 #01LEM/FUG
+      delta_h -1.595 #kJ/mol
+#     Enthalpy of formation: -3933.768 kJ/mol
+      -analytic 35.33057E+0 00E+0 83.31265E+0 00E+0 00E+0
+
+Np+4 + Edta-4 = Np(Edta)
+      log_k 31.2 #05HUM/AND
+      -analytic 31.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + Edta-4 = Np(Edta)-
+      log_k 19.9 #Recommended in 05HUM/AND
+      -analytic 19.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + H2(PO4)- = Np(H2PO4)+2
+      log_k 2.39 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + H+ + Edta-4 = Np(HEdta)
+      log_k 22.02 #Analogy with Pu(HEdta)
+      -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - H+ + H2(PO4)- = Np(HPO4)+
+      log_k -1.88 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -18.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - 2 H+ + 2 H2(PO4)- = Np(HPO4)2-
+      log_k -5.61 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -56.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + NO3- = Np(NO3)+3
+      log_k 1.9 #01LEM/FUG
+      -analytic 19E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + Nta-3 = Np(Nta)
+      log_k 13 #95AKR/BOU
+      -analytic 13E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + Nta-3 = Np(Nta)+
+      log_k 20.7 #95AKR/BOU
+      -analytic 20.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - H+ + H2O = Np(OH)+2
+      log_k -6.8 #01LEM/FUG
+      delta_h 36.997 #kJ/mol
+#     Enthalpy of formation: -776.017  kJ/mol
+      -analytic -31.84038E-2 00E+0 -19.32488E+2 00E+0 00E+0
+
+Np+4 - H+ + H2O = Np(OH)+3
+      log_k 0.55 #03GUI/FAN
+      delta_h 26.743 #kJ/mol
+#     Enthalpy of formation: -815.109  kJ/mol
+      -analytic 52.35172E-1 00E+0 -13.96884E+2 00E+0 00E+0
+
+Np+4 - 2 H+ + 2 CO3-2 + 2 H2O = Np(OH)2(CO3)2-2
+      log_k 16.92 #99RAI/HES2
+      -analytic 16.92E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - 2 H+ + 2 H2O = Np(OH)2+
+      log_k -17 #80ALL/KIP
+      delta_h 103.262 #kJ/mol
+#     Enthalpy of formation: -995.582  kJ/mol
+      -analytic 10.90726E-1 00E+0 -53.9375E+2 00E+0 00E+0
+
+Np+4 - 2 H+ + 2 H2O = Np(OH)2+2
+      log_k 0.35 #03GUI/FAN
+      delta_h 44.742 #kJ/mol
+#     Enthalpy of formation: -1082.939 kJ/mol
+      -analytic 81.88462E-1 00E+0 -23.37037E+2 00E+0 00E+0
+
+Np+4 - 2 H+ + Edta-4 + 2 H2O = Np(OH)2Edta-2
+      log_k 18.24 #23ROD/COL
+      -analytic 18.24E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - 3 H+ + 3 H2O = Np(OH)3
+      log_k -27 #80ALL/KIP
+      delta_h 159.163 #kJ/mol
+#     Enthalpy of formation: -1225.510 kJ/mol
+      -analytic 88.41606E-2 00E+0 -83.13662E+2 00E+0 00E+0
+
+Np+4 - 3 H+ + 3 H2O = Np(OH)3+
+      log_k -2.8 #01NEC/KIM, 99NEC
+      delta_h 70.765 #kJ/mol
+#     Enthalpy of formation: -1342.745 kJ/mol
+      -analytic 95.97496E-1 00E+0 -36.96313E+2 00E+0 00E+0
+
+Np+4 - 3 H+ + Edta-4 + 3 H2O = Np(OH)3Edta-3
+      log_k 8.62 #23ROD/COL
+      -analytic 86.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 - 4 H+ + 4 H2O = Np(OH)4
+      log_k -8.3 #20GRE/GAO
+      delta_h 100.98 #kJ/mol
+#     Enthalpy of formation: -1598.360 kJ/mol
+      -analytic 93.90937E-1 00E+0 -52.74553E+2 00E+0 00E+0
+
+Np+4 - 4 H+ + HGlu- + 4 H2O = Np(OH)4(HGlu)-
+      log_k -5.89 #Analogy with An(IV)-ISA
+      -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 - 4 H+ + 2 HGlu- + 4 H2O = Np(OH)4(HGlu)2-2
+      log_k -3.69 #Analogy with An(IV)-ISA
+      -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 - 4 H+ + HIsa- + 4 H2O = Np(OH)4(HIsa)-
+      log_k -5.89 #23ROD/COL
+      -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 - 4 H+ + 2 HIsa- + 4 H2O = Np(OH)4(HIsa)2-2
+      log_k -3.69 #23ROD/COL
+      -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 - H+ + Edta-4 + H2O = Np(OH)Edta-
+      log_k 23.73 #23ROD/COL
+      -analytic 23.73E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + Ox-2 = Np(Ox)+2
+      log_k 11.16 #12GRI/GAR2
+      -analytic 11.16E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 2 Ox-2 = Np(Ox)2
+      log_k 19.94 #12GRI/GAR2
+      -analytic 19.94E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 3 Ox-2 = Np(Ox)3-2
+      log_k 25.19 #12GRI/GAR2
+      -analytic 25.19E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - 2 H+ + H2(PO4)- = Np(PO4)
+      log_k -8.07 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -80.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+3 - 4 H+ + 2 H2(PO4)- = Np(PO4)2-3
+      log_k -20.03 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -20.03E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+3 + SO4-2 = Np(SO4)+
+      log_k 3.72 #Estimated by correlation with An(III) in function of ionic radii
+      delta_h 21.188 #kJ/mol
+#     Enthalpy of formation: -1415.336 kJ/mol
+      -analytic 74.31978E-1 00E+0 -11.06726E+2 00E+0 00E+0
+
+Np+4 + SO4-2 = Np(SO4)+2
+      log_k 6.85 #01LEM/FUG
+      delta_h 29.84 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1435.522 kJ/mol
+      -analytic 12.07774E+0 00E+0 -15.58652E+2 00E+0 00E+0
+
+Np+4 + 2 SO4-2 = Np(SO4)2
+      log_k 11.05 #01LEM/FUG
+      delta_h 55.38 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -2319.322 kJ/mol
+      -analytic 20.75216E+0 00E+0 -28.92699E+2 00E+0 00E+0
+
+Np+3 + 2 SO4-2 = Np(SO4)2-
+      log_k 5.16 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic 51.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + Br- = NpBr+3
+      log_k 1.55 #Estimated by correlation with An(IV) in function of ionic radii
+      -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + Cl- = NpCl+3
+      log_k 1.5 #01LEM/FUG
+      delta_h 24.173 #kJ/mol
+#     Enthalpy of formation: -698.928  kJ/mol
+      -analytic 57.34928E-1 00E+0 -12.62644E+2 00E+0 00E+0
+
+Np+4 + F- = NpF+3
+      log_k 8.96 #01LEM/FUG
+      delta_h 1.5 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -889.872  kJ/mol
+      -analytic 92.22789E-1 00E+0 -78.35046E+0 00E+0 00E+0
+
+Np+4 + 2 F- = NpF2+2
+      log_k 15.7 #01LEM/FUG
+      delta_h 15.928 #kJ/mol
+#     Enthalpy of formation: -1210.793 kJ/mol
+      -analytic 18.49047E+0 00E+0 -83.19774E+1 00E+0 00E+0
+
+Np+4 + 3 F- = NpF3+
+      log_k 20.05 #01LEM/FUG
+      -analytic 20.05E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + 4 F- = NpF4
+      log_k 25.95 #01LEM/FUG
+      -analytic 25.95E+0 00E+0 00E+0 00E+0 00E+0
+
+Np+4 + I- = NpI+3
+      log_k 1.5 #01LEM/FUG
+      -analytic 15E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + Acetate- = NpO2(Acetate)
+      log_k 1.32 #11RIC/GRI
+      -analytic 13.2E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + 2 Acetate- = NpO2(Acetate)2-
+      log_k 3.42 #09TAK/TAK
+      -analytic 34.2E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + 3 Acetate- = NpO2(Acetate)3-2
+      log_k 3.57 #09TAK/TAK
+      -analytic 35.7E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + Cit-3 = NpO2(Cit)-2
+      log_k 3.68 #05HUM/AND
+      -analytic 36.8E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + CO3-2 = NpO2(CO3)-
+      log_k 4.96 #01LEM/FUG
+      delta_h 59.912 #kJ/mol
+#     Enthalpy of formation: -1593.499 kJ/mol
+      -analytic 15.45613E+0 00E+0 -31.29422E+2 00E+0 00E+0
+
+NpO2+2 - 2 H+ + CO3-2 + 2 H2O = NpO2(CO3)(OH)2-2
+      log_k -7.69 #99CHO/BRO
+      -analytic -76.9E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 + 2 CO3-2 = NpO2(CO3)2-2
+      log_k 15 #Upper limit value in 20GRE/GAO
+      -analytic 15E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + 2 CO3-2 = NpO2(CO3)2-3
+      log_k 6.53 #01LEM/FUG
+      delta_h 39.024 #kJ/mol
+#     Enthalpy of formation: -2289.617 kJ/mol
+      -analytic 13.36671E+0 00E+0 -20.38365E+2 00E+0 00E+0
+
+NpO2+ - H+ + 2 CO3-2 + H2O = NpO2(CO3)2OH-4
+      log_k -5.31 #01LEM/FUG
+      -analytic -53.1E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 + 3 CO3-2 = NpO2(CO3)3-4
+      log_k 19.9 #20GRE/GAO
+      delta_h -41.9 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -2928.323 kJ/mol
+      -analytic 12.55944E+0 00E+0 21.88589E+2 00E+0 00E+0
+
+NpO2+ + 3 CO3-2 = NpO2(CO3)3-5
+      log_k 5.5
+      delta_h -13.249 #kJ/mol
+#     Enthalpy of formation: -3017.120 kJ/mol  01LEM/FUG
+      -analytic 31.78875E-1 00E+0 69.20435E+1 00E+0 00E+0
+
+NpO2+ + Edta-4 = NpO2(Edta)-3
+      log_k 9.23 #05HUM/AND
+      -analytic 92.3E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + 2 H+ + Edta-4 = NpO2(H2Edta)-
+      log_k 22.51 #05HUM/AND
+      -analytic 22.51E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + H2(PO4)- = NpO2(H2PO4)
+      log_k 1.4 #20GRE/GAO
+      -analytic 14E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + H+ + Edta-4 = NpO2(HEdta)-2
+      log_k 17.06 #05HUM/AND
+      -analytic 17.06E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + HGlu- = NpO2(HGlu)
+      log_k 1.68 #06ZHA/CLA
+      -analytic 16.8E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + 2 HGlu- = NpO2(HGlu)2-
+      log_k 2.39 #06ZHA/CLA
+      -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + H+ + Nta-3 = NpO2(HNta)-
+      log_k 11.7 #95AKR/BOU
+      -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 - H+ + H2(PO4)- = NpO2(HPO4)
+      log_k -1.01 #01LEM/FUG
+      delta_h 92.195 #kJ/mol
+#     Enthalpy of formation: -2071.137 kJ/mol
+      -analytic 15.14187E+0 00E+0 -48.1568E+2 00E+0 00E+0
+
+NpO2+ - H+ + H2(PO4)- = NpO2(HPO4)-
+      log_k -4.26 #20GRE/GAO
+      delta_h -7.4 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2288.181 kJ/mol
+      -analytic -55.56424E-1 00E+0 38.65289E+1 00E+0 00E+0
+
+NpO2+2 - 2 H+ + 2 H2(PO4)- = NpO2(HPO4)2-2
+      log_k -4.92 #01LEM/FUG
+      -analytic -49.2E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 + NO3- = NpO2(NO3)+
+      log_k 0.1 #12GRI/GAR2 in analogy to UO2(NO3)+
+      -analytic 10E-2 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + Nta-3 = NpO2(Nta)-2
+      log_k 7.46 #95AKR/BOU
+      -analytic 74.6E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ - H+ + H2O = NpO2(OH)
+      log_k -11.3 #01LEM/FUG
+      delta_h 64.785 #kJ/mol
+#     Enthalpy of formation: -1199.226 kJ/mol
+      -analytic 49.8448E-3 00E+0 -33.83956E+2 00E+0 00E+0
+
+NpO2+2 - H+ + H2O = NpO2(OH)+
+      log_k -5.1 #01LEM/FUG
+      delta_h 42.956 #kJ/mol
+#     Enthalpy of formation: -1103.606 kJ/mol
+      -analytic 24.25568E-1 00E+0 -22.43748E+2 00E+0 00E+0
+
+NpO2+2 - 2 H+ + 2 H2O = NpO2(OH)2
+      log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii
+      -analytic -12.21E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ - 2 H+ + 2 H2O = NpO2(OH)2-
+      log_k -23.6 #01LEM/FUG
+      delta_h 118.61 #kJ/mol
+#     Enthalpy of formation: -1431.230 kJ/mol
+      -analytic -28.2042E-1 00E+0 -61.95432E+2 00E+0 00E+0
+
+NpO2+2 - 3 H+ + 3 H2O = NpO2(OH)3-
+      log_k -21.2 #20GRE/GAO
+      -analytic -21.2E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 - 4 H+ + 4 H2O = NpO2(OH)4-2
+      log_k -32 #20GRE/GAO
+      -analytic -32E+0 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + Ox-2 = NpO2(Ox)-
+      log_k 3.9 #05HUM/AND
+      delta_h -1.3 #kJ/mol 20MAI/TRU
+#     Enthalpy of formation: -1810.141 kJ/mol
+      -analytic 36.7225E-1 00E+0 67.90373E+0 00E+0 00E+0
+
+NpO2+ + 2 Ox-2 = NpO2(Ox)2-3
+      log_k 5.8 #05HUM/AND
+      delta_h -8.7 #kJ/mol 20MAI/TRU
+#     Enthalpy of formation: -2648.201 kJ/mol
+      -analytic 42.75825E-1 00E+0 45.44326E+1 00E+0 00E+0
+
+NpO2+2 + SO4-2 = NpO2(SO4)
+      log_k 3.28 #01LEM/FUG
+      delta_h 16.7 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1753.373 kJ/mol
+      -analytic 62.05714E-1 00E+0 -87.23018E+1 00E+0 00E+0
+
+NpO2+ + SO4-2 = NpO2(SO4)-
+      log_k 1.3 #20GRE/GAO
+      delta_h 22 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1865.521 kJ/mol
+      -analytic 51.54235E-1 00E+0 -11.4914E+2 00E+0 00E+0
+
+NpO2+2 + 2 SO4-2 = NpO2(SO4)2-2
+      log_k 4.7 #01LEM/FUG
+      delta_h 26 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -2653.413 kJ/mol
+      -analytic 92.55004E-1 00E+0 -13.58075E+2 00E+0 00E+0
+
+NpO2+ + Cl- = NpO2Cl
+      log_k -0.93 #94NEC/KIM
+      delta_h 25.971 #kJ/mol
+#     Enthalpy of formation: -1119.289 kJ/mol
+      -analytic 36.19924E-1 00E+0 -13.5656E+2 00E+0 00E+0
+
+NpO2+2 + Cl- = NpO2Cl+
+      log_k 0.4 #01LEM/FUG
+      delta_h 8.387 #kJ/mol
+#     Enthalpy of formation: -1019.426 kJ/mol
+      -analytic 18.69339E-1 00E+0 -43.80835E+1 00E+0 00E+0
+
+NpO2+2 + CO3-2 = NpO2CO3
+      log_k 9.86 #20GRE/GAO
+      -analytic 98.6E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+ + F- = NpO2F
+      log_k 1.4 #20GRE/GAO
+      -analytic 14E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 + F- = NpO2F+
+      log_k 4.57 #01LEM/FUG
+      delta_h 1.4 #kJ/mol
+#     Enthalpy of formation: -1194.682 kJ/mol
+      -analytic 48.15269E-1 00E+0 -73.12709E+0 00E+0 00E+0
+
+NpO2+2 + 2 F- = NpO2F2
+      log_k 7.6 #01LEM/FUG
+      delta_h 4.32 #kJ/mol
+#     Enthalpy of formation: -1527.113 kJ/mol
+      -analytic 83.56832E-1 00E+0 -22.56493E+1 00E+0 00E+0
+
+NpO2+ + 2 F- = NpO2F2-
+      log_k 1.9 #20GRE/GAO
+      -analytic 19E-1 00E+0 00E+0 00E+0 00E+0
+
+NpO2+2 + H2(PO4)- = NpO2H2PO4+
+      log_k 3.32 #01LEM/FUG
+      -analytic 33.2E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + H2O = OH-
+      log_k -14
+      delta_h 55.815 #kJ/mol
+#     Enthalpy of formation: -230.015  kJ/mol  89COX/WAG
+      -analytic -42.21632E-1 00E+0 -29.1542E+2 00E+0 00E+0
+
+- H+ + Pa+4 + H2O = Pa(OH)+3
+      log_k 0.84 #76BAE/MES
+      -analytic 84E-2 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Pa+4 + 2 H2O = Pa(OH)2+2
+      log_k -0.02 #76BAE/MES
+      -analytic -20E-3 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + Pa+4 + 3 H2O = Pa(OH)3+
+      log_k -1.5 #76BAE/MES
+      -analytic -15E-1 00E+0 00E+0 00E+0 00E+0
+
+H+ + PaO2+ = PaO(OH)+2
+      log_k 1.25 #Original data 03TRU/LEN and 04FOU/PER
+      delta_h -5.7 #kJ/mol 03TRU/LEN
+      -analytic 25.14029E-2 00E+0 29.77317E+1 00E+0 00E+0
+
+2 H+ + SO4-2 + PaO2+ - H2O = PaO(SO4)+
+      log_k 5.13 #07GIA/TRU
+      -analytic 51.3E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 2 SO4-2 + PaO2+ - H2O = PaO(SO4)2-
+      log_k 8.24 #07GIA/TRU
+      -analytic 82.4E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 3 SO4-2 + PaO2+ - H2O = PaO(SO4)3-3
+      log_k 9.83 #07GIA/TRU
+      -analytic 98.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + PaO2+ + H2O = PaO2(OH)
+      log_k -7 #Original data 03TRU/LEN and 04FOU/PER
+      delta_h 61 #kJ/mol 03TRU/LEN
+      -analytic 36.86741E-1 00E+0 -31.86252E+2 00E+0 00E+0
+
+- 2 H+ + PaO2+ + 2 H2O = PaO2(OH)2-
+      log_k -16.4 #04FOU/PER
+      -analytic -16.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + B(OH)4- = Pb(B(OH)4)+
+      log_k 5.2 #80BAS
+      -analytic 52E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + 3 B(OH)4- = Pb(B(OH)4)3-
+      log_k 11.18 #80BAS
+      -analytic 11.18E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + CO3-2 = Pb(CO3)
+      log_k 7 #06BLA/PIA
+      delta_h -3.015 #kJ/mol
+#     Enthalpy of formation: -677.326  kJ/mol
+      -analytic 64.71795E-1 00E+0 15.74844E+1 00E+0 00E+0
+
+Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+      log_k 10.13 #99LOT/OCH; Uncertainty to include available data.
+      -analytic 10.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + Edta-4 = Pb(Edta)-2
+      log_k 18.8 #04MAR/SMI
+      -analytic 18.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + 2 H+ + Edta-4 = Pb(H2Edta)
+      log_k 24.9 #04MAR/SMI
+      -analytic 24.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + H2(PO4)- = Pb(H2PO4)+
+      log_k 1.5 #74NRI
+      -analytic 15E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + H+ + Edta-4 = Pb(HEdta)-
+      log_k 23 #04MAR/SMI
+      -analytic 23E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + 2 HS- = Pb(HS)2
+      log_k 15.01 #06BLA/PIA; Uncertainty to include available data.
+      delta_h -65.579 #kJ/mol
+#     Enthalpy of formation: -97.259   kJ/mol
+      -analytic 35.21052E-1 00E+0 34.2543E+2 00E+0 00E+0
+
+Pb+2 + 3 HS- = Pb(HS)3-
+      log_k 16.26 #06BLA/PIA; Uncertainty to include available data.
+      delta_h -73.329 #kJ/mol
+#     Enthalpy of formation: -121.309  kJ/mol
+      -analytic 34.13311E-1 00E+0 38.3024E+2 00E+0 00E+0
+
+Pb+2 + NO3- = Pb(NO3)+
+      log_k 1.06 #99LOT/OCH
+      -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + 2 NO3- = Pb(NO3)2
+      log_k 1.48 #99LOT/OCH
+      delta_h -11.012 #kJ/mol
+#     Enthalpy of formation: -423.792  kJ/mol
+      -analytic -44.92196E-2 00E+0 57.51968E+1 00E+0 00E+0
+
+Pb+2 - H+ + H2O = Pb(OH)+
+      log_k -7.51 #99LOT/OCH; Uncertainty to include available data.
+      delta_h 53.92 #kJ/mol
+#     Enthalpy of formation: -230.990  kJ/mol
+      -analytic 19.36379E-1 00E+0 -28.16438E+2 00E+0 00E+0
+
+Pb+2 - 2 H+ + 2 H2O = Pb(OH)2
+      log_k -16.95 #99LOT/OCH; Uncertainty to include available data.
+      delta_h 97.824 #kJ/mol
+#     Enthalpy of formation: -472.915  kJ/mol
+      -analytic 18.80291E-2 00E+0 -51.09703E+2 00E+0 00E+0
+
+Pb+2 - 3 H+ + 3 H2O = Pb(OH)3-
+      log_k -27.2 #01PER/HEF
+      delta_h 130.485 #kJ/mol
+#     Enthalpy of formation: -726.085  kJ/mol
+      -analytic -43.40009E-1 00E+0 -68.15706E+2 00E+0 00E+0
+
+Pb+2 - 4 H+ + 4 H2O = Pb(OH)4-2
+      log_k -38.9 #01PER/HEF
+      delta_h 197.474 #kJ/mol
+#     Enthalpy of formation: -944.925  kJ/mol
+      -analytic -43.0404E-1 00E+0 -10.31479E+3 00E+0 00E+0
+
+Pb+2 + Ox-2 = Pb(Ox)
+      log_k 5.85 #13XIO/KIR
+      -analytic 58.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + 2 Ox-2 = Pb(Ox)2-2
+      log_k 8.05 #13XIO/KIR
+      -analytic 80.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + SeO3-2 = Pb(SeO3)
+      log_k 5.73 #01SEB/POT2
+      -analytic 57.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + SO4-2 = Pb(SO4)
+      log_k 2.82 #99LOT/OCH; Uncertainty to include available data.
+      delta_h 6.861 #kJ/mol
+#     Enthalpy of formation: -901.559  kJ/mol
+      -analytic 40.21996E-1 00E+0 -35.8375E+1 00E+0 00E+0
+
+Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+      log_k 3.47 #97MAR/SMI; Uncertainty to include available data.
+      -analytic 34.7E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Pb+2 - H+ + H2O = Pb2(OH)+3
+      log_k -7.18 #99LOT/OCH; Uncertainty to include available data.
+      -analytic -71.8E-1 00E+0 00E+0 00E+0 00E+0
+
+4 Pb+2 - 4 H+ + 4 H2O = Pb4(OH)4+4
+      log_k -20.63 #99LOT/OCH; Uncertainty to include available data.
+      delta_h 82.038 #kJ/mol
+#     Enthalpy of formation: -1057.601 kJ/mol
+      -analytic -62.57559E-1 00E+0 -42.85143E+2 00E+0 00E+0
+
+6 Pb+2 - 8 H+ + 8 H2O = Pb6(OH)8+4
+      log_k -42.68 #99LOT/OCH
+      delta_h 192.157 #kJ/mol
+#     Enthalpy of formation: -2088.961 kJ/mol
+      -analytic -90.15539E-1 00E+0 -10.03706E+3 00E+0 00E+0
+
+Pb+2 + Br- = PbBr+
+      log_k 1.7 #82HÖG
+      delta_h 4.22 #kJ/mol
+#     Enthalpy of formation: -116.270  kJ/mol
+      -analytic 24.39312E-1 00E+0 -22.0426E+1 00E+0 00E+0
+
+Pb+2 + 2 Br- = PbBr2
+      log_k 1.9 #82HÖG
+      delta_h 10.979 #kJ/mol
+#     Enthalpy of formation: -230.920  kJ/mol
+      -analytic 38.23438E-1 00E+0 -57.34731E+1 00E+0 00E+0
+
+Pb+2 + 3 Br- = PbBr3-
+      log_k 2.9 #82HÖG
+      delta_h 10.653 #kJ/mol
+#     Enthalpy of formation: -352.656  kJ/mol
+      -analytic 47.66325E-1 00E+0 -55.64449E+1 00E+0 00E+0
+
+Pb+2 + Cl- = PbCl+
+      log_k 1.44 #97SVE/SHO; Uncertainty to include available data.
+      delta_h 4.318 #kJ/mol
+#     Enthalpy of formation: -161.841  kJ/mol
+      -analytic 21.96481E-1 00E+0 -22.55448E+1 00E+0 00E+0
+
+Pb+2 + 2 Cl- = PbCl2
+      log_k 2 #97SVE/SHO; Uncertainty to include available data.
+      delta_h 7.948 #kJ/mol
+#     Enthalpy of formation: -325.291  kJ/mol
+      -analytic 33.9243E-1 00E+0 -41.5153E+1 00E+0 00E+0
+
+Pb+2 + 3 Cl- = PbCl3-
+      log_k 1.69 #97SVE/SHO; 22 Uncertainty to include available data.
+      delta_h 7.812 #kJ/mol
+#     Enthalpy of formation: -492.507  kJ/mol
+      -analytic 30.58604E-1 00E+0 -40.80492E+1 00E+0 00E+0
+
+Pb+2 + 4 Cl- = PbCl4-2
+      log_k 1.4 #97SVE/SHO; 22 Uncertainty to include available data.
+      delta_h 1.324 #kJ/mol
+#     Enthalpy of formation: -666.074  kJ/mol
+      -analytic 16.31955E-1 00E+0 -69.15734E+0 00E+0 00E+0
+
+Pb+2 + F- = PbF+
+      log_k 2.27 #99LOT/OCH
+      delta_h -4.054 #kJ/mol
+#     Enthalpy of formation: -338.484  kJ/mol
+      -analytic 15.5977E-1 00E+0 21.17552E+1 00E+0 00E+0
+
+Pb+2 + 2 F- = PbF2
+      log_k 3.01 #99LOT/OCH
+      delta_h -8.879 #kJ/mol
+#     Enthalpy of formation: -678.659  kJ/mol
+      -analytic 14.54466E-1 00E+0 46.37825E+1 00E+0 00E+0
+
+Pb+2 - H+ + H2(PO4)- = PbHPO4
+      log_k -4.11 #74NRI
+      -analytic -41.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb+2 + I- = PbI+
+      log_k 1.98 #82HÖG
+      delta_h 3.874 #kJ/mol
+#     Enthalpy of formation: -51.986   kJ/mol
+      -analytic 26.58696E-1 00E+0 -20.23531E+1 00E+0 00E+0
+
+Pb+2 + 2 I- = PbI2
+      log_k 3.15 #82HÖG
+      delta_h 7.106 #kJ/mol
+#     Enthalpy of formation: -105.533  kJ/mol
+      -analytic 43.94918E-1 00E+0 -37.11722E+1 00E+0 00E+0
+
+Pb+2 + 3 I- = PbI3-
+      log_k 3.81 #82HÖG
+      delta_h 3.163 #kJ/mol
+#     Enthalpy of formation: -166.256  kJ/mol
+      -analytic 43.64134E-1 00E+0 -16.5215E+1 00E+0 00E+0
+
+Pb+2 + 4 I- = PbI4-2
+      log_k 3.75 #82HÖG
+      delta_h -15.561 #kJ/mol
+#     Enthalpy of formation: -241.760  kJ/mol
+      -analytic 10.2383E-1 00E+0 81.28076E+1 00E+0 00E+0
+
+Pb+2 + Pyrophos-4 = PbPyrophos-2
+      log_k 8.33 #82WAG/EVA
+      -analytic 83.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + CO3-2 = Pd(CO3)
+      log_k 6.83 #87BRO/WAN
+      delta_h -8.843 #kJ/mol
+#     Enthalpy of formation: -494.184  kJ/mol
+      -analytic 52.80773E-1 00E+0 46.19021E+1 00E+0 00E+0
+
+Pd+2 + 2 CO3-2 = Pd(CO3)2-2
+      log_k 12.53 #87BRO/WAN
+      -analytic 12.53E+0 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + NH3 = Pd(NH3)+2
+      log_k 9.6 #68RAS/JOR
+      -analytic 96E-1 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + 2 NH3 = Pd(NH3)2+2
+      log_k 18.5 #68RAS/JOR
+      -analytic 18.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + 3 NH3 = Pd(NH3)3+2
+      log_k 26 #68RAS/JOR
+      -analytic 26E+0 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + 4 NH3 = Pd(NH3)4+2
+      log_k 32.8 #68RAS/JOR
+      -analytic 32.8E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Pd+2 + H2O = Pd(OH)+
+      log_k -1.86 #70NAB/KAL
+      delta_h 11.908 #kJ/mol
+#     Enthalpy of formation: -84.032   kJ/mol
+      -analytic 22.6192E-2 00E+0 -62.19982E+1 00E+0 00E+0
+
+- 2 H+ + Pd+2 + 2 H2O = Pd(OH)2
+      log_k -3.49 #12RAI/YUI
+      delta_h 13.576 #kJ/mol
+#     Enthalpy of formation: -368.195  kJ/mol
+      -analytic -11.11587E-1 00E+0 -70.91239E+1 00E+0 00E+0
+
+- 3 H+ + Pd+2 + 3 H2O = Pd(OH)3-
+      log_k -15.48 #12RAI/YUI
+      delta_h 52.289 #kJ/mol
+#     Enthalpy of formation: -615.311  kJ/mol
+      -analytic -63.1936E-1 00E+0 -27.31245E+2 00E+0 00E+0
+
+Pd+2 + SO4-2 = Pd(SO4)
+      log_k 2.91 #87BRO/WAN
+      delta_h 4.588 #kJ/mol
+#     Enthalpy of formation: -714.862  kJ/mol
+      -analytic 37.13783E-1 00E+0 -23.96479E+1 00E+0 00E+0
+
+Pd+2 + 2 SO4-2 = Pd(SO4)2-2
+      log_k 4.17 #82HOG
+      -analytic 41.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + Br- = PdBr+
+      log_k 5.77 #72ELD
+      delta_h -30.145 #kJ/mol
+#     Enthalpy of formation: +38.334   kJ/mol
+      -analytic 48.88227E-2 00E+0 15.74583E+2 00E+0 00E+0
+
+Pd+2 + 2 Br- = PdBr2
+      log_k 10.06 #72ELD
+      delta_h -57.714 #kJ/mol
+#     Enthalpy of formation: -110.644  kJ/mol
+      -analytic -51.05877E-3 00E+0 30.14612E+2 00E+0 00E+0
+
+Pd+2 + 3 Br- = PdBr3-
+      log_k 13.75 #72ELD
+      delta_h -92.39 #kJ/mol
+#     Enthalpy of formation: -266.730  kJ/mol
+      -analytic -24.36033E-1 00E+0 48.25866E+2 00E+0 00E+0
+
+Pd+2 + 4 Br- = PdBr4-2
+      log_k 15.11 #72ELD
+      delta_h -126.688 #kJ/mol
+#     Enthalpy of formation: -422.437  kJ/mol
+      -analytic -70.84785E-1 00E+0 66.17375E+2 00E+0 00E+0
+
+Pd+2 + Cl- = PdCl+
+      log_k 5 #12RAI/YUI
+      delta_h -23.954 #kJ/mol
+#     Enthalpy of formation: -1.145    kJ/mol
+      -analytic 80.34393E-2 00E+0 12.51205E+2 00E+0 00E+0
+
+Pd+2 + 2 Cl- = PdCl2
+      log_k 8.42 #12RAI/YUI
+      delta_h -48.037 #kJ/mol
+#     Enthalpy of formation: -192.307  kJ/mol
+      -analytic 42.78852E-4 00E+0 25.09147E+2 00E+0 00E+0
+
+Pd+2 + 3 Cl- = PdCl3-
+      log_k 10.93 #12RAI/YUI
+      delta_h -77.749 #kJ/mol
+#     Enthalpy of formation: -389.099  kJ/mol
+      -analytic -26.9104E-1 00E+0 40.61113E+2 00E+0 00E+0
+
+- H+ + Pd+2 + 3 Cl- + H2O = PdCl3(OH)-2
+      log_k 2.42 #12RAI/YUI
+      -analytic 24.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Pd+2 + 4 Cl- = PdCl4-2
+      log_k 13.05 #12RAI/YUI
+      delta_h -120.18 #kJ/mol
+#     Enthalpy of formation: -598.610  kJ/mol
+      -analytic -80.04632E-1 00E+0 62.77439E+2 00E+0 00E+0
+
+Pd+2 + I- = PdI+
+      log_k 10.4 #89BAE/McK
+      delta_h -58.206 #kJ/mol
+#     Enthalpy of formation: +74.903   kJ/mol
+      -analytic 20.27465E-2 00E+0 30.40311E+2 00E+0 00E+0
+
+Pd+2 + 2 I- = PdI2
+      log_k 14.5 #97BOU
+      delta_h -83.425 #kJ/mol
+#     Enthalpy of formation: -7.096    kJ/mol
+      -analytic -11.54326E-2 00E+0 43.57591E+2 00E+0 00E+0
+
+Pd+2 + 3 I- = PdI3-
+      log_k 18.6 #97BOU
+      delta_h -121.755 #kJ/mol
+#     Enthalpy of formation: -102.205  kJ/mol
+      -analytic -27.3056E-1 00E+0 63.59707E+2 00E+0 00E+0
+
+Pd+2 + 4 I- = PdI4-2
+      log_k 24.64
+      delta_h -190.061 #kJ/mol
+#     Enthalpy of formation: -227.291  kJ/mol
+      -analytic -86.57258E-1 00E+0 99.27577E+2 00E+0 00E+0
+
+- 2 H+ + H2(PO4)- = PO4-3
+      log_k -19.56 #89COX/WAG
+      delta_h 18.2 #kJ/mol
+#     Enthalpy of formation: -1284.400 kJ/mol  89COX/WAG
+      -analytic -16.3715E+0 00E+0 -95.06522E+1 00E+0 00E+0
+
+Pu+3 + Acetate- = Pu(Acetate)+2
+      log_k 2.85 #69MOS
+      -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + Acetate- = Pu(Acetate)+3
+      log_k 5.93 #62SCH/NEB
+      -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 2 Acetate- = Pu(Acetate)2+
+      log_k 5.06 #69MOS
+      -analytic 50.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + 2 Acetate- = Pu(Acetate)2+2
+      log_k 10.09 #62SCH/NEB
+      -analytic 10.09E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 3 Acetate- = Pu(Acetate)3
+      log_k 6.57 #69MOS
+      -analytic 65.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + Cit-3 = Pu(Cit)
+      log_k 8.55 #Analogy with Am
+      -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 2 Cit-3 = Pu(Cit)2-3
+      log_k 13.9 #Analogy with Am
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + CO3-2 = Pu(CO3)+
+      log_k 7.64 #Estimated by correlation with An(III) in function of ionic radii
+      delta_h 14.742 #kJ/mol
+#     Enthalpy of formation: -1252.279 kJ/mol
+      -analytic 10.22269E+0 00E+0 -77.00283E+1 00E+0 00E+0
+
+Pu+3 + 2 CO3-2 = Pu(CO3)2-
+      log_k 12.54 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic 12.54E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 3 CO3-2 = Pu(CO3)3-3
+      log_k 15.2 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic 15.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + 4 CO3-2 = Pu(CO3)4-4
+      log_k 37 #03GUI/FAN
+      -analytic 37E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + 5 CO3-2 = Pu(CO3)5-6
+      log_k 35.65 #03GUI/FAN
+      -analytic 35.65E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + Edta-4 = Pu(Edta)
+      log_k 31.8 #Recommended in 05HUM/AND
+      -analytic 31.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + Edta-4 = Pu(Edta)-
+      log_k 20.18 #05HUM/AND
+      delta_h -8.7 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2305.290 kJ/mol
+      -analytic 18.65583E+0 00E+0 45.44326E+1 00E+0 00E+0
+
+Pu+3 + H2(PO4)- = Pu(H2PO4)+2
+      log_k 2.2 #10RAI/MOO
+      -analytic 22E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + H+ + Cit-3 = Pu(HCit)+
+      log_k 12.86 #Analogy with Am
+      -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 2 H+ + 2 Cit-3 = Pu(HCit)2-
+      log_k 23.52 #Analogy with Am
+      -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + H+ + Edta-4 = Pu(HEdta)
+      log_k 22.02 #05HUM/AND
+      -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - H+ + H2(PO4)- = Pu(HPO4)+
+      log_k -1.81 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -18.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 2 H+ + 2 H2(PO4)- = Pu(HPO4)2-
+      log_k -5.45 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -54.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + NO3- = Pu(NO3)+2
+      log_k 1.33 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID)
+      -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + NO3- = Pu(NO3)+3
+      log_k 1.95 #01LEM/FUG
+      -analytic 19.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + Nta-3 = Pu(Nta)
+      log_k 13.1 #95AKR/BOU
+      -analytic 13.1E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + Nta-3 = Pu(Nta)+
+      log_k 25.72 #16BON/AUP
+      -analytic 25.72E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - H+ + H2O = Pu(OH)+2
+      log_k -6.18 #20GRE/GAO
+      delta_h 30.753 #kJ/mol
+#     Enthalpy of formation: -846.866  kJ/mol
+      -analytic -79.23057E-2 00E+0 -16.06341E+2 00E+0 00E+0
+
+Pu+4 - H+ + H2O = Pu(OH)+3
+      log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN
+      delta_h 22.922 #kJ/mol
+#     Enthalpy of formation: -802.803  kJ/mol
+      -analytic 46.15762E-1 00E+0 -11.97299E+2 00E+0 00E+0
+
+Pu+4 - 2 H+ + 2 CO3-2 + 2 H2O = Pu(OH)2(CO3)2-2
+      log_k 18.21 #99RAI/HES1
+      -analytic 18.21E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 2 H+ + HGlu- + 2 H2O = Pu(OH)2(HGlu)
+      log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq)
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 2 H+ + HIsa- + 2 H2O = Pu(OH)2(HIsa)
+      log_k -10.97 #18TAS/GAO
+      -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 2 H+ + 2 H2O = Pu(OH)2+
+      log_k -15.1 #Analogy with Am(III)
+      delta_h 89.712 #kJ/mol
+#     Enthalpy of formation: -1073.737 kJ/mol
+      -analytic 61.68677E-2 00E+0 -46.85984E+2 00E+0 00E+0
+
+Pu+4 - 2 H+ + 2 H2O = Pu(OH)2+2
+      log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN
+      delta_h 39.78 #kJ/mol
+#     Enthalpy of formation: -1071.775 kJ/mol
+      -analytic 75.69157E-1 00E+0 -20.77854E+2 00E+0 00E+0
+
+Pu+4 - 2 H+ + Edta-4 + 2 H2O = Pu(OH)2Edta-2
+      log_k 18.02 #21DIB/TAS
+      -analytic 18.02E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 3 H+ + 3 H2O = Pu(OH)3
+      log_k -26.2 #20GRE/GAO
+      delta_h 151.892 #kJ/mol
+#     Enthalpy of formation: -1297.387 kJ/mol
+      -analytic 41.03361E-2 00E+0 -79.33872E+2 00E+0 00E+0
+
+Pu+4 - 3 H+ + HGlu- + 3 H2O = Pu(OH)3(HGlu)
+      log_k 4.75 #06GAO/GRI
+      -analytic 47.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 3 H+ + 3 H2O = Pu(OH)3+
+      log_k -2.3 #99NEC, 01NEC/KIM, 03GUI/FAN
+      delta_h 64.376 #kJ/mol
+#     Enthalpy of formation: -1333.008 kJ/mol
+      -analytic 89.78191E-1 00E+0 -33.62593E+2 00E+0 00E+0
+
+Pu+4 - 3 H+ + Edta-4 + 3 H2O = Pu(OH)3Edta-3
+      log_k 8.5 #21DIB/TAS
+      -analytic 85E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 4 H+ + 4 H2O = Pu(OH)4
+      log_k -8.5 #03GUI/FAN
+      delta_h 98.586 #kJ/mol
+#     Enthalpy of formation: -1584.627 kJ/mol
+      -analytic 87.71526E-1 00E+0 -51.49505E+2 00E+0 00E+0
+
+Pu+4 - 4 H+ + HGlu- + 4 H2O = Pu(OH)4(HGlu)-
+      log_k -2.7 #06GAO/GRI
+      -analytic -27E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 4 H+ + 2 HGlu- + 4 H2O = Pu(OH)4(HGlu)2-2
+      log_k -2.83 #Analogy with An(IV)-ISA
+      -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 4 H+ + HIsa- + 4 H2O = Pu(OH)4(HIsa)-
+      log_k -5.03 #18TAS/GAO & TAS/GAO1
+      -analytic -50.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 4 H+ + 2 HIsa- + 4 H2O = Pu(OH)4(HIsa)2-2
+      log_k -2.83 #23ROD/COL
+      -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 5 H+ + HGlu- + 5 H2O = Pu(OH)5(HGlu)-2
+      log_k -16.92 #Analogy with An(IV)-ISA
+      -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - 5 H+ + HIsa- + 5 H2O = Pu(OH)5(HIsa)-2
+      log_k -16.92 #18TAS/GAO & 18TAS/GAO1
+      -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 - H+ + Edta-4 + H2O = Pu(OH)Edta-
+      log_k 23 #21DIB/TAS
+      -analytic 23E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + Ox-2 = Pu(Ox)+
+      log_k 6.49 #12GRI/GAR2
+      -analytic 64.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + Ox-2 = Pu(Ox)+2
+      log_k 11.4 #05HUM/AND
+      -analytic 11.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + 2 Ox-2 = Pu(Ox)2
+      log_k 20.6 #05HUM/AND
+      -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 2 Ox-2 = Pu(Ox)2-
+      log_k 10.62 #12GRI/GAR2
+      -analytic 10.62E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + 3 Ox-2 = Pu(Ox)3-2
+      log_k 25.69 #05HUM/AND
+      -analytic 25.69E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + 3 Ox-2 = Pu(Ox)3-3
+      log_k 13.22 #12GRI/GAR2
+      -analytic 13.22E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 2 H+ + H2(PO4)- = Pu(PO4)
+      log_k -7.91 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -79.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 - 4 H+ + 2 H2(PO4)- = Pu(PO4)2-3
+      log_k -19.71 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -19.71E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + SO4-2 = Pu(SO4)+
+      log_k 3.91 #01LEM/FUG
+      delta_h 17.24 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1483.890 kJ/mol
+      -analytic 69.30318E-1 00E+0 -90.05079E+1 00E+0 00E+0
+
+Pu+4 + SO4-2 = Pu(SO4)+2
+      log_k 6.89 #01LEM/FUG
+      delta_h 13.754 #kJ/mol
+#     Enthalpy of formation: -1435.481 kJ/mol
+      -analytic 92.99597E-1 00E+0 -71.84215E+1 00E+0 00E+0
+
+Pu+4 + 2 SO4-2 = Pu(SO4)2
+      log_k 11.14 #01LEM/FUG
+      delta_h 43.907 #kJ/mol
+#     Enthalpy of formation: -2314.667 kJ/mol
+      -analytic 18.83218E+0 00E+0 -22.93422E+2 00E+0 00E+0
+
+Pu+3 + 2 SO4-2 = Pu(SO4)2-
+      log_k 5.7 #01LEM/FUG
+      delta_h 11.88 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -2398.590 kJ/mol
+      -analytic 77.81287E-1 00E+0 -62.05356E+1 00E+0 00E+0
+
+Pu+4 + Br- = PuBr+3
+      log_k 1.6 #01LEM/FUG
+      -analytic 16E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + Cl- = PuCl+3
+      log_k 1.8 #01LEM/FUG
+      delta_h 19.82 #kJ/mol
+#     Enthalpy of formation: -687.155  kJ/mol
+      -analytic 52.72315E-1 00E+0 -10.35271E+2 00E+0 00E+0
+
+Pu+4 + F- = PuF+3
+      log_k 8.84 #01LEM/FUG
+      delta_h 9.1 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -866.145  kJ/mol
+      -analytic 10.43425E+0 00E+0 -47.53261E+1 00E+0 00E+0
+
+Pu+4 + 2 F- = PuF2+2
+      log_k 15.7 #01LEM/FUG
+      delta_h 11 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1199.595 kJ/mol
+      -analytic 17.62712E+0 00E+0 -57.457E+1 00E+0 00E+0
+
+Pu+4 + 3 F- = PuF3+
+      log_k 20.11 #01LEM/FUG
+      -analytic 20.11E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + H+ + H2(PO4)- = PuH3PO4+4
+      log_k 4.54 #01LEM/FUG
+      -analytic 45.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+3 + I- = PuI+2
+      log_k 1.1 #01LEM/FUG
+      -analytic 11E-1 00E+0 00E+0 00E+0 00E+0
+
+Pu+4 + I- = PuI+3
+      log_k 1.62 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii)
+      -analytic 16.2E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + Acetate- = PuO2(Acetate)+
+      log_k 2.87 #11RIC/GRI
+      -analytic 28.7E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 2 Acetate- = PuO2(Acetate)2
+      log_k 4.77 #11RIC/GRI
+      -analytic 47.7E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 3 Acetate- = PuO2(Acetate)3-
+      log_k 6.19 #11RIC/GRI
+      -analytic 61.9E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + CO3-2 = PuO2(CO3)
+      log_k 9.5 #03GUI/FAN
+      -analytic 95E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+ + CO3-2 = PuO2(CO3)-
+      log_k 5.03 #20GRE/GAO
+      -analytic 50.3E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 2 CO3-2 = PuO2(CO3)2-2
+      log_k 14.7 #03GUI/FAN
+      delta_h -27 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -2199.496 kJ/mol
+      -analytic 99.69803E-1 00E+0 14.10308E+2 00E+0 00E+0
+
+PuO2+ + 2 CO3-2 = PuO2(CO3)2-3
+      log_k 6.34 #20GRE/GAO
+      -analytic 63.4E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 3 CO3-2 = PuO2(CO3)3-4
+      log_k 18 #03GUI/FAN
+      delta_h -38.6 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -2886.326 kJ/mol
+      -analytic 11.23757E+0 00E+0 20.16218E+2 00E+0 00E+0
+
+PuO2+ + 3 CO3-2 = PuO2(CO3)3-5
+      log_k 5.61 #20GRE/GAO
+      -analytic 56.1E-1 00E+0 00E+0 00E+0 00E+0
+
+2 UO2+2 + PuO2+2 + 6 CO3-2 = PuO2(CO3)6(UO2)2-6
+      log_k 53.48 #20GRE/GAO
+      -analytic 53.48E+0 00E+0 00E+0 00E+0 00E+0
+
+PuO2+ - H+ + H2(PO4)- = PuO2(HPO4)-
+      log_k -4.86 #NEA Guidelines in 01LEM/FUG
+      -analytic -48.6E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+ + Nta-3 = PuO2(Nta)-2
+      log_k 7.5 #95AKR/BOU
+      -analytic 75E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 - H+ + H2O = PuO2(OH)+
+      log_k -5.5 #01LEM/FUG
+      delta_h 28 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1079.866 kJ/mol
+      -analytic -59.46106E-2 00E+0 -14.62542E+2 00E+0 00E+0
+
+PuO2+2 - 2 H+ + 2 H2O = PuO2(OH)2
+      log_k -13.2 #01LEM/FUG
+      -analytic -13.2E+0 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 - 3 H+ + 3 H2O = PuO2(OH)3-
+      log_k -24 #20GRE/GAO
+      -analytic -24E+0 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 - H+ + H4(SiO4) = PuO2(OSi(OH)3)+
+      log_k -3.64 #03YUS/FED
+      -analytic -36.4E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + Ox-2 = PuO2(Ox)
+      log_k 7 #95AKR/BOU
+      -analytic 70E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 2 Ox-2 = PuO2(Ox)2-2
+      log_k 10.5 #73POR/DEP in 95AKR/BOU
+      -analytic 10.5E+0 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + Phthalat-2 = PuO2(Phthalat)
+      log_k 5.76 #11GRI/COL3
+      -analytic 57.6E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + SO4-2 = PuO2(SO4)
+      log_k 3.38 #01LEM/FUG
+      delta_h 16.1 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -1715.276 kJ/mol
+      -analytic 62.00599E-1 00E+0 -84.09616E+1 00E+0 00E+0
+
+PuO2+ + SO4-2 = PuO2(SO4)-
+      log_k 1.26 #20GRE/GAO
+      -analytic 12.6E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + 2 SO4-2 = PuO2(SO4)2-2
+      log_k 4.4 #01LEM/FUG
+      delta_h 43 #kJ/mol 01LEM/FUG
+#     Enthalpy of formation: -2597.716 kJ/mol
+      -analytic 11.93328E+0 00E+0 -22.46046E+2 00E+0 00E+0
+
+PuO2+2 + Cl- = PuO2Cl+
+      log_k 0.23 #03GUI/FAN
+      delta_h 4.187 #kJ/mol
+#     Enthalpy of formation: -984.929  kJ/mol
+      -analytic 96.35309E-2 00E+0 -21.87022E+1 00E+0 00E+0
+
+PuO2+2 + 2 Cl- = PuO2Cl2
+      log_k -1.15 #03GUI/FAN
+      -analytic -11.5E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+ + F- = PuO2F
+      log_k 1.2 #In analogy to NpO2)F
+      -analytic 12E-1 00E+0 00E+0 00E+0 00E+0
+
+PuO2+2 + F- = PuO2F+
+      log_k 4.56 #01LEM/FUG
+      delta_h -3.654 #kJ/mol
+#     Enthalpy of formation: -1161.039 kJ/mol
+      -analytic 39.19847E-1 00E+0 19.08617E+1 00E+0 00E+0
+
+PuO2+2 + 2 F- = PuO2F2
+      log_k 7.25 #01LEM/FUG
+      delta_h 1.206 #kJ/mol
+#     Enthalpy of formation: -1491.529 kJ/mol
+      -analytic 74.61282E-1 00E+0 -62.99377E+0 00E+0 00E+0
+
+PuO2+2 + 3 F- = PuO2F3-
+      log_k 9.59 #85SAW/CHA
+      delta_h 2.399 #kJ/mol
+#     Enthalpy of formation: -1825.686 kJ/mol
+      -analytic 10.01029E+0 00E+0 -12.53085E+1 00E+0 00E+0
+
+PuO2+2 + NO3- = PuO2NO3+
+      log_k 0.1 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +))
+      -analytic 10E-2 00E+0 00E+0 00E+0 00E+0
+
+PuO2+ - H+ + H2O = PuO2OH
+      log_k -11.3 #01LEM/FUG
+      delta_h 71.826 #kJ/mol
+#     Enthalpy of formation: -1124.131 kJ/mol
+      -analytic 12.83375E-1 00E+0 -37.51733E+2 00E+0 00E+0
+
+Ra+2 + CO3-2 = Ra(CO3)
+      log_k 2.5 #99SCH
+      delta_h 4.496 #kJ/mol
+#     Enthalpy of formation: -1198.760 kJ/mol
+      -analytic 32.87665E-1 00E+0 -23.48424E+1 00E+0 00E+0
+
+H+ + Ra+2 + CO3-2 = Ra(HCO3)+
+      log_k 10.92 #02ILE/TWE; Uncertainty to include available data.
+      -analytic 10.92E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Ra+2 + H2O = Ra(OH)+
+      log_k -13.49
+      delta_h 60.417 #kJ/mol 85LAN/RIE
+#     Enthalpy of formation: -753.438  kJ/mol
+      -analytic -29.05396E-1 00E+0 -31.558E+2 00E+0 00E+0
+
+- 2 H+ + Ra+2 + 2 H2O = Ra(OH)2
+      log_k -28.07
+      delta_h 112.197 #kJ/mol
+#     Enthalpy of formation: -987.488  kJ/mol
+      -analytic -84.13929E-1 00E+0 -58.60457E+2 00E+0 00E+0
+
+Ra+2 + SO4-2 = Ra(SO4)
+      log_k 2.76
+      delta_h 5.472 #kJ/mol
+#     Enthalpy of formation: -1431.892 kJ/mol
+      -analytic 37.18653E-1 00E+0 -28.58225E+1 00E+0 00E+0
+
+Ra+2 + Cl- = RaCl+
+      log_k -0.1 #85LAN/RIE; Uncertainty to include available data.
+      delta_h 2.479 #kJ/mol
+#     Enthalpy of formation: -692.626  kJ/mol
+      -analytic 33.43022E-2 00E+0 -12.94872E+1 00E+0 00E+0
+
+Ra+2 + 2 Cl- = RaCl2
+      log_k -0.1
+      delta_h 0.495 #kJ/mol
+#     Enthalpy of formation: -861.689  kJ/mol
+      -analytic -13.27972E-3 00E+0 -25.85565E+0 00E+0 00E+0
+
+Ra+2 + F- = RaF+
+      log_k 0.48 #87BRO/WAN
+      -analytic 48E-2 00E+0 00E+0 00E+0 00E+0
+
+Br- + Rb+ = RbBr
+      log_k -1.24
+      delta_h 13.836 #kJ/mol
+#     Enthalpy of formation: -358.694  kJ/mol  97SVE/SHO
+      -analytic 11.83963E-1 00E+0 -72.27046E+1 00E+0 00E+0
+
+Cl- + Rb+ = RbCl
+      log_k -1.01
+      delta_h 13.189 #kJ/mol
+#     Enthalpy of formation: -405.011  kJ/mol  97SVE/SHO
+      -analytic 13.00614E-1 00E+0 -68.89094E+1 00E+0 00E+0
+
+F- + Rb+ = RbF
+      log_k 0.94
+      delta_h 1.923 #kJ/mol
+#     Enthalpy of formation: -584.547  kJ/mol  97SVE/SHO
+      -analytic 12.76895E-1 00E+0 -10.04453E+1 00E+0 00E+0
+
+I- + Rb+ = RbI
+      log_k -0.84
+      delta_h 6.987 #kJ/mol
+#     Enthalpy of formation: -300.913  kJ/mol  97SVE/SHO
+      -analytic 38.40699E-2 00E+0 -36.49564E+1 00E+0 00E+0
+
+- H+ + Rb+ + H2O = RbOH
+      log_k -14.26
+      delta_h 64.158 #kJ/mol
+#     Enthalpy of formation: -472.792  kJ/mol  97SHO/SAS2
+      -analytic -30.20001E-1 00E+0 -33.51206E+2 00E+0 00E+0
+
+- H+ + HS- = S-2
+      log_k -17.1 #04CHI
+      delta_h 73.278 #kJ/mol
+#     Enthalpy of formation: +56.978   kJ/mol
+      -analytic -42.62245E-1 00E+0 -38.27577E+2 00E+0 00E+0
+
+- 2 H+ - 2 e- + 2 HS- = S2-2
+# DLP: This species will be in the S(-2) mole balance
+      log_k -10.54
+      delta_h 67.64 #kJ/mol
+#     Enthalpy of formation: +35.040   kJ/mol  04CHI
+      -analytic 13.10019E-1 00E+0 -35.33083E+2 00E+0 00E+0
+
+2 H+ + 2 SO3-2 - H2O = S2O5-2
+# DLP: This species will be in the S(4) mole balance
+      log_k 12.85 #85GOL/PAR
+      delta_h 2.606 #kJ/mol
+#     Enthalpy of formation: -973.684  kJ/mol
+      -analytic 13.30655E+0 00E+0 -13.61209E+1 00E+0 00E+0
+
+- 2 e- + 2 SO4-2 = S2O8-2
+# DLP: This species will be in the S(6) mole balance
+      log_k -65.38
+      delta_h 473.98 #kJ/mol
+#     Enthalpy of formation: -1344.700 kJ/mol  82WAG/EVA
+      -analytic 17.65773E+0 00E+0 -24.7577E+3 00E+0 00E+0
+
+- 3 H+ - 4 e- + 3 HS- = S3-2
+# DLP: This species will be in the S(-2) mole balance
+      log_k -6.51
+      delta_h 74.84 #kJ/mol
+#     Enthalpy of formation: +25.940   kJ/mol  74NAU/RYZ
+      -analytic 66.01405E-1 00E+0 -39.09165E+2 00E+0 00E+0
+
+6 H+ + 2 e- + 3 SO3-2 - 3 H2O = S3O6-2
+# DLP: This species will be in the S(4) mole balance
+      log_k 36.82
+      delta_h -131.646 #kJ/mol
+#     Enthalpy of formation: -1167.336 kJ/mol  04CHI
+      -analytic 13.75661E+0 00E+0 68.76349E+2 00E+0 00E+0
+
+- 4 H+ - 6 e- + 4 HS- = S4-2
+# DLP: This species will be in the S(-2) mole balance
+      log_k -3.58
+      delta_h 88.21 #kJ/mol
+#     Enthalpy of formation: +23.010   kJ/mol  74NAU/RYZ
+      -analytic 11.87373E+0 00E+0 -46.07529E+2 00E+0 00E+0
+
+12 H+ + 6 e- + 4 SO3-2 - 6 H2O = S4O6-2
+      log_k 90.8
+      delta_h -414.978 #kJ/mol
+#     Enthalpy of formation: -1224.238 kJ/mol  04CHI
+      -analytic 18.09898E+0 00E+0 21.67581E+3 00E+0 00E+0
+
+- 5 H+ - 8 e- + 5 HS- = S5-2
+# DLP: This species will be in the S(-2) mole balance
+      log_k -0.87
+      delta_h 102.84 #kJ/mol
+#     Enthalpy of formation: +21.340   kJ/mol  74NAU/RYZ
+      -analytic 17.14679E+0 00E+0 -53.71707E+2 00E+0 00E+0
+
+18 H+ + 10 e- + 5 SO3-2 - 9 H2O = S5O6-2
+# DLP: This species will be in the S(4) mole balance
+      log_k 115.39
+      delta_h -592.874 #kJ/mol
+#     Enthalpy of formation: -1175.704 kJ/mol  04CHI
+      -analytic 11.52293E+0 00E+0 30.96797E+3 00E+0 00E+0
+
+2 H+ + Sb(OH)3 - 2 H2O = Sb(OH)+2
+      log_k 0.74 #99LOT/OCH
+      -analytic 74E-2 00E+0 00E+0 00E+0 00E+0
+
+H+ + Sb(OH)3 - H2O = Sb(OH)2+
+      log_k 1.33 #77ANT/NEV and others recalculated
+      -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Sb(OH)3 + H2O = Sb(OH)4-
+      log_k -11.82 #52GAY/GAR recalculated
+      -analytic -11.82E+0 00E+0 00E+0 00E+0 00E+0
+
+H+ + Sb(OH)5 - H2O = Sb(OH)4+
+      log_k -3.26 #57PIT/POU in 99LOT/OCH
+      -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Sb(OH)5 + H2O = Sb(OH)6-
+      log_k -2.72 #63LEF/MAR in 76BAE/MES
+      -analytic -27.2E-1 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + Sb(OH)3 - 3 H2O = Sb+3
+      log_k -0.73 #99LOT/OCH
+      -analytic -73E-2 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 12 Sb(OH)5 + 4 H2O = Sb12(OH)64-4
+      log_k 20.34 #63LEF/MAR in 76BAE/MES
+      -analytic 20.34E+0 00E+0 00E+0 00E+0 00E+0
+
+- 5 H+ + 12 Sb(OH)5 + 5 H2O = Sb12(OH)65-5
+      log_k 16.72 #63LEF/MAR in 76BAE/MES
+      -analytic 16.72E+0 00E+0 00E+0 00E+0 00E+0
+
+- 6 H+ + 12 Sb(OH)5 + 6 H2O = Sb12(OH)66-6
+      log_k 11.89 #63LEF/MAR in 76BAE/MES
+      -analytic 11.89E+0 00E+0 00E+0 00E+0 00E+0
+
+- 7 H+ + 12 Sb(OH)5 + 7 H2O = Sb12(OH)67-7
+      log_k 6.07 #63LEF/MAR in 76BAE/MES
+      -analytic 60.7E-1 00E+0 00E+0 00E+0 00E+0
+
+4 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2H2S4
+      log_k 57.81 #88KRU
+      -analytic 57.81E+0 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2HS4-
+      log_k 52.9 #88KRU
+      -analytic 52.9E+0 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2S4-2
+      log_k 43.38 #88KRU
+      -analytic 43.38E+0 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + Cl- + Sb(OH)3 - 3 H2O = SbCl+2
+      log_k 2.8 #70BON/WAU and others recalculated
+      -analytic 28E-1 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + 2 Cl- + Sb(OH)3 - 3 H2O = SbCl2+
+      log_k 3.27 #70BON/WAU and others recalculated
+      -analytic 32.7E-1 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + F- + Sb(OH)3 - 3 H2O = SbF+2
+      log_k 6.37 #70BON recalculated
+      -analytic 63.7E-1 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + 2 F- + Sb(OH)3 - 3 H2O = SbF2+
+      log_k 12.42 #70BON recalculated
+      -analytic 12.42E+0 00E+0 00E+0 00E+0 00E+0
+
+3 H+ + 3 F- + Sb(OH)3 - 3 H2O = SbF3
+      log_k 18.2 #70BON recalculated
+      -analytic 18.2E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + HSe- = Se-2
+      log_k -14.91
+      -analytic -14.91E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ - 2 e- + 2 HSe- = Se2-2
+# DLP: This species will be in the Se(-2) mole balance
+      log_k -4.5 #05OLI/NOL
+      -analytic -45E-1 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ - 4 e- + 3 HSe- = Se3-2
+# DLP: This species will be in the Se(-2) mole balance
+      log_k 5.24 #05OLI/NOL
+      -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ - 6 e- + 4 HSe- = Se4-2
+# DLP: This species will be in the Se(-2) mole balance
+      log_k 13.38 #05OLI/NOL
+      -analytic 13.38E+0 00E+0 00E+0 00E+0 00E+0
+
+- H+ + 2 H4(SiO4) - H2O = Si2O2(OH)5-
+      log_k -8.5 #01FEL/CHO
+      -analytic -85E-1 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 2 H4(SiO4) - H2O = Si2O3(OH)4-2
+      log_k -19.4 #01FEL/CHO
+      -analytic -19.4E+0 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 H4(SiO4) - 2 H2O = Si3O5(OH)5-3
+      log_k -29.4 #01FEL/CHO
+      -analytic -29.4E+0 00E+0 00E+0 00E+0 00E+0
+
+- 3 H+ + 3 H4(SiO4) - 3 H2O = Si3O6(OH)3-3
+      log_k -29.3 #01FEL/CHO
+      -analytic -29.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + 4 H4(SiO4) - 4 H2O = Si4O6(OH)6-2
+      log_k -15.6 #01FEL/CHO
+      -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 4 H4(SiO4) - 3 H2O = Si4O7(OH)6-4
+      log_k -39.1 #01FEL/CHO
+      -analytic -39.1E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 4 H4(SiO4) - 4 H2O = Si4O8(OH)4-4
+      log_k -39.2 #01FEL/CHO
+      -analytic -39.2E+0 00E+0 00E+0 00E+0 00E+0
+
+- 6 H+ + 6 H4(SiO4) - 9 H2O = Si6O15-6
+      log_k -61.8 #01FEL/CHO
+      -analytic -61.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + CO3-2 = Sm(CO3)+
+      log_k 7.8 #95SPA/BRU
+      delta_h 23.851 #kJ/mol
+#     Enthalpy of formation: -1342.577 kJ/mol
+      -analytic 11.97852E+0 00E+0 -12.45824E+2 00E+0 00E+0
+
+Sm+3 + 2 CO3-2 = Sm(CO3)2-
+      log_k 12.8 #95SPA/BRU
+      -analytic 12.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + 3 CO3-2 = Sm(CO3)3-3
+      log_k 14.8 #05VER/VIT2
+      -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + H2(PO4)- = Sm(H2PO4)+2
+      log_k 2.35 #95SPA/BRU
+      -analytic 23.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + H+ + CO3-2 = Sm(HCO3)+2
+      log_k 12.43 #95SPA/BRU
+      -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 - H+ + H2(PO4)- = Sm(HPO4)+
+      log_k -1.61 #95SPA/BRU
+      -analytic -16.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 - 2 H+ + 2 H2(PO4)- = Sm(HPO4)2-
+      log_k -5.02 #95SPA/BRU
+      -analytic -50.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + NO3- = Sm(NO3)+2
+      log_k 0.9 #95SPA/BRU
+      -analytic 90E-2 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 - H+ + H2O = Sm(OH)+2
+      log_k -7.9 #95SPA/BRU
+      delta_h 48.805 #kJ/mol
+#     Enthalpy of formation: -928.223  kJ/mol
+      -analytic 65.0269E-2 00E+0 -25.49263E+2 00E+0 00E+0
+
+Sm+3 - 2 H+ + 2 H2O = Sm(OH)2+
+      log_k -15.7 #07NEC/ALT2
+      delta_h 101.371 #kJ/mol
+#     Enthalpy of formation: -1161.487 kJ/mol
+      -analytic 20.59437E-1 00E+0 -52.94976E+2 00E+0 00E+0
+
+Sm+3 - 3 H+ + 3 H2O = Sm(OH)3
+      log_k -26.2 #07NEC/ALT2
+      delta_h 160.126 #kJ/mol
+#     Enthalpy of formation: -1388.562 kJ/mol
+      -analytic 18.52871E-1 00E+0 -83.63963E+2 00E+0 00E+0
+
+Sm+3 - 4 H+ + 4 H2O = Sm(OH)4-
+      log_k -40.7 #07NEC/ALT2
+      delta_h 232.448 #kJ/mol
+#     Enthalpy of formation: -1602.069 kJ/mol
+      -analytic 23.14152E-3 00E+0 -12.1416E+3 00E+0 00E+0
+
+Sm+3 - 2 H+ + H2(PO4)- = Sm(PO4)
+      log_k -7.46 #95SPA/BRU
+      -analytic -74.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 - 4 H+ + 2 H2(PO4)- = Sm(PO4)2-3
+      log_k -18.72 #95SPA/BRU
+      -analytic -18.72E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm+3 + SO4-2 = Sm(SO4)+
+      log_k 3.5 #95SPA/BRU
+      delta_h 16.584 #kJ/mol
+#     Enthalpy of formation: -1583.954 kJ/mol
+      -analytic 64.05392E-1 00E+0 -86.62426E+1 00E+0 00E+0
+
+Sm+3 + 2 SO4-2 = Sm(SO4)2-
+      log_k 5.2 #95SPA/BRU
+      delta_h 24.918 #kJ/mol
+#     Enthalpy of formation: -2484.959 kJ/mol
+      -analytic 95.65446E-1 00E+0 -13.01558E+2 00E+0 00E+0
+
+Sm+3 + Br- = SmBr+2
+      log_k 0.23 #96FAL/REA
+      delta_h -1.358 #kJ/mol
+#     Enthalpy of formation: -813.965  kJ/mol
+      -analytic -79.11387E-4 00E+0 70.93328E+0 00E+0 00E+0
+
+Sm+3 + Cl- = SmCl+2
+      log_k 0.72 #Original data 01LUO/BYR and 07LUO/BYR
+      delta_h 3.583 #kJ/mol
+#     Enthalpy of formation: -854.695  kJ/mol
+      -analytic 13.47715E-1 00E+0 -18.71531E+1 00E+0 00E+0
+
+Sm+3 + F- = SmF+2
+      log_k 4.21 #07LUO/BYR
+      delta_h 7.97 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -1018.578 kJ/mol
+      -analytic 56.06284E-1 00E+0 -41.63021E+1 00E+0 00E+0
+
+Sm+3 + 2 F- = SmF2+
+      log_k 6.43 #Original data 99SCH/BYR and 04LUO/BYR
+      delta_h 18.85 #kJ/mol 04LUO/MIL
+#     Enthalpy of formation: -1343.048 kJ/mol
+      -analytic 97.32378E-1 00E+0 -98.46041E+1 00E+0 00E+0
+
+Sm+3 - H+ + H4(SiO4) = SmSiO(OH)3+2
+      log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO1
+      -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Cit-3 = Sn(Cit)-
+      log_k 8.7 #95AKR/BOU
+      -analytic 87E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 2 Cit-3 = Sn(Cit)2-4
+      log_k 11.9 #95AKR/BOU
+      -analytic 11.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Edta-4 = Sn(Edta)-2
+      log_k 24.6 #95AKR/BOU
+      -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 2 H+ + Edta-4 = Sn(H2Edta)
+      log_k 24.3 #95AKR/BOU
+      -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + H+ + Edta-4 = Sn(HEdta)-
+      log_k 23.4 #95AKR/BOU
+      -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Nta-3 = Sn(Nta)-
+      log_k 13.4 #95AKR/BOU
+      -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 - H+ + H2O = Sn(OH)+
+      log_k -3.53 #12GAM/GAJ
+      delta_h 18.611 #kJ/mol
+#     Enthalpy of formation: -276.835  kJ/mol
+      -analytic -26.94928E-2 00E+0 -97.21202E+1 00E+0 00E+0
+
+Sn+2 - 2 H+ + 2 H2O = Sn(OH)2
+      log_k -7.68 #12GAM/GAJ
+      delta_h 40.762 #kJ/mol
+#     Enthalpy of formation: -540.515  kJ/mol
+      -analytic -53.88041E-2 00E+0 -21.29148E+2 00E+0 00E+0
+
+Sn+2 - 3 H+ + 3 H2O = Sn(OH)3-
+      log_k -16.43
+      delta_h 89.189 #kJ/mol
+#     Enthalpy of formation: -777.917  kJ/mol
+      -analytic -80.47579E-2 00E+0 -46.58666E+2 00E+0 00E+0
+
+Sn+4 - 4 H+ + 4 H2O = Sn(OH)4
+      log_k 7.54
+      delta_h -49.205 #kJ/mol
+#     Enthalpy of formation: -1224.035 kJ/mol
+      -analytic -10.80346E-1 00E+0 25.70156E+2 00E+0 00E+0
+
+Sn+4 - 5 H+ + 5 H2O = Sn(OH)5-
+      log_k -1.06
+      -analytic -10.6E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+4 - 6 H+ + 6 H2O = Sn(OH)6-2
+      log_k -11.13
+      -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 - H+ + Cl- + H2O = Sn(OH)Cl
+      log_k -3.1 #52VAN/RHO recalculated in 02HUM/BER
+      -analytic -31E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Ox-2 = Sn(Ox)
+      log_k 6.5 #95AKR/BOU
+      -analytic 65E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 2 Ox-2 = Sn(Ox)2-2
+      log_k 12.9 #95AKR/BOU
+      -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 3 Ox-2 = Sn(Ox)3-4
+      log_k 17.1 #95AKR/BOU
+      -analytic 17.1E+0 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + SO4-2 = Sn(SO4)
+      log_k 3.43 #12GAM/GAJ
+      delta_h 16.9 #kJ/mol Suggested but not selected in 12GAM/GAJ
+#     Enthalpy of formation: -902.057  kJ/mol
+      -analytic 63.90753E-1 00E+0 -88.27485E+1 00E+0 00E+0
+
+3 Sn+2 - 4 H+ + 4 H2O = Sn3(OH)4+2
+      log_k -5.6 #12GAM/GAJ
+      -analytic -56E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Br- = SnBr+
+      log_k 1.33 #12GAM/GAJ
+      -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 2 Br- = SnBr2
+      log_k 1.97 #12GAM/GAJ
+      -analytic 19.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 3 Br- = SnBr3-
+      log_k 1.93 #12GAM/GAJ
+      -analytic 19.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + Cl- = SnCl+
+      log_k 1.52 #12GAM/GAJ
+      delta_h 12.7 #kJ/mol 12GAM/GAJ
+#     Enthalpy of formation: -163.997  kJ/mol
+      -analytic 37.44944E-1 00E+0 -66.33672E+1 00E+0 00E+0
+
+Sn+2 + 2 Cl- = SnCl2
+      log_k 2.17 #12GAM/GAJ
+      delta_h 19.7 #kJ/mol 12GAM/GAJ
+#     Enthalpy of formation: -324.077  kJ/mol
+      -analytic 56.21292E-1 00E+0 -10.29003E+2 00E+0 00E+0
+
+Sn+2 + 3 Cl- = SnCl3-
+      log_k 2.13 #12GAM/GAJ
+      -analytic 21.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 4 Cl- = SnCl4-2
+      log_k 2.03 #12GAM/GAJ
+      -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + F- = SnF+
+      log_k 5.25 #12GAM/GAJ
+      delta_h -9.58 #kJ/mol
+#     Enthalpy of formation: -354.546  kJ/mol
+      -analytic 35.71656E-1 00E+0 50.03983E+1 00E+0 00E+0
+
+Sn+2 + 2 F- = SnF2
+      log_k 8.89 #12GAM/GAJ
+      delta_h -9.969 #kJ/mol
+#     Enthalpy of formation: -690.285  kJ/mol
+      -analytic 71.43506E-1 00E+0 52.07171E+1 00E+0 00E+0
+
+Sn+2 + 3 F- = SnF3-
+      log_k 11.5 #12GAM/GAJ
+      delta_h -4.479 #kJ/mol
+#     Enthalpy of formation: -1020.145 kJ/mol
+      -analytic 10.71531E+0 00E+0 23.39545E+1 00E+0 00E+0
+
+Sn+2 - H+ + H2(PO4)- = SnHPO4
+      log_k 2.29 #00CIA/IUL
+      -analytic 22.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + I- = SnI+
+      log_k 1.74 #68HAI/JOH1 recalculated
+      -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 + 2 I- = SnI2
+      log_k 2.69 #68HAI/JOH1 recalculated
+      -analytic 26.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn+2 - 2 H+ + H2(PO4)- = SnPO4-
+      log_k -1.56 #00CIA/IUL
+      -analytic -15.6E-1 00E+0 00E+0 00E+0 00E+0
+
+2 H+ + SO3-2 - H2O = SO2
+      log_k 9.03
+      delta_h 21.45 #kJ/mol
+#     Enthalpy of formation: -323.780  kJ/mol  85GOL/PAR
+      -analytic 12.78788E+0 00E+0 -11.20412E+2 00E+0 00E+0
+
+Sr+2 + Cit-3 = Sr(Cit)-
+      log_k 4.24 #95AKR/BOU
+      -analytic 42.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 - H+ + 2 Cit-3 + H2O = Sr(Cit)2(OH)-5
+      log_k -1.78 #95AKR/BOU
+      -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 Cit-3 = Sr(Cit)2-4
+      log_k 4.84 #95AKR/BOU
+      -analytic 48.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + CO3-2 = Sr(CO3)
+      log_k 2.81 #84BUS/PLU
+      delta_h 21.796 #kJ/mol
+#     Enthalpy of formation: -1204.335 kJ/mol
+      -analytic 66.28495E-1 00E+0 -11.38484E+2 00E+0 00E+0
+
+Sr+2 + Edta-4 = Sr(Edta)-2
+      log_k 10.3 #95AKR/BOU
+      -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 H+ + Cit-3 = Sr(H2Cit)+
+      log_k 12.46 #95AKR/BOU
+      -analytic 12.46E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + H2(PO4)- = Sr(H2PO4)+
+      log_k 0.83 #97MAR/SMI; Uncertainty to include available data.
+      -analytic 83E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + H+ + Cit-3 = Sr(HCit)
+      log_k 9 #95AKR/BOU
+      -analytic 90E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + H+ + CO3-2 = Sr(HCO3)+
+      log_k 11.51 #84BUS/PLUS
+      delta_h 10.597 #kJ/mol
+#     Enthalpy of formation: -1215.533 kJ/mol
+      -analytic 13.36651E+0 00E+0 -55.35199E+1 00E+0 00E+0
+
+Sr+2 + H+ + Edta-4 = Sr(HEdta)-
+      log_k 14.7 #95AKR/BOU
+      -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + H+ + Ox-2 = Sr(HOx)+
+      log_k 5.8 #95AKR/BOU
+      -analytic 58E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 H+ + 2 Ox-2 = Sr(HOx)2
+      log_k 10.8 #95AKR/BOU
+      -analytic 10.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 - H+ + H2(PO4)- = Sr(HPO4)
+      log_k -4.7 #97MAR/SMI; Uncertainty to include available data.
+      -analytic -47E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + IO3- = Sr(IO3)+
+      log_k 0.33 #estimation NEA87 01/02/95
+      -analytic 33E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 IO3- = Sr(IO3)2
+      log_k -0.55 #estimation NEA87 01/02/95
+      -analytic -55E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + NH3 = Sr(NH3)+2
+      log_k -0.55 #estimation NEA87 08/02/95
+      -analytic -55E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + NO3- = Sr(NO3)+
+      log_k 0.6 #96FAL/REA
+      -analytic 60E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 NO3- = Sr(NO3)2
+      log_k 0.31 #96FAL/REA
+      -analytic 31E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + Nta-3 = Sr(Nta)-
+      log_k 6.25 #95AKR/BOU
+      -analytic 62.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 - H+ + H2O = Sr(OH)+
+      log_k -13.29 #76BAE/MES
+      delta_h 82.608 #kJ/mol
+#     Enthalpy of formation: -754.122  kJ/mol
+      -analytic 11.823E-1 00E+0 -43.14916E+2 00E+0 00E+0
+
+Sr+2 + Ox-2 = Sr(Ox)
+      log_k 2.54 #95AKR/BOU
+      -analytic 25.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 Ox-2 = Sr(Ox)2-2
+      log_k 3 #95AKR/BOU
+      -analytic 30E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 - 2 H+ + H2(PO4)- = Sr(PO4)-
+      log_k -13.56 #96BOU1
+      -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + Pyrophos-4 = Sr(Pyrophos)-2
+      log_k 5.4 #76SMI/MAR
+      -analytic 54E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + S2O3-2 = Sr(S2O3)
+      log_k 2.04 #76SMI/MAR
+      -analytic 20.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + SO4-2 = Sr(SO4)
+      log_k 2.3 #06BLA/IGN
+      delta_h 7.029 #kJ/mol 06BLA/IGN
+#     Enthalpy of formation: -1453.211 kJ/mol
+      -analytic 35.31428E-1 00E+0 -36.71502E+1 00E+0 00E+0
+
+2 Sr+2 - H+ + Cit-3 + H2O = Sr2(Cit)(OH)
+      log_k 0.38 #95AKR/BOU
+      -analytic 38E-2 00E+0 00E+0 00E+0 00E+0
+
+2 Sr+2 + UO2+2 + 3 CO3-2 = Sr2UO2(CO3)3
+      log_k 29.7 #20GRE/GAO
+      -analytic 29.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + B(OH)4- = SrB(OH)4+
+      log_k 1.55 #80BAS
+      -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + Cl- = SrCl+
+      log_k 0.23 #96BOU1
+      delta_h 4.926 #kJ/mol
+#     Enthalpy of formation: -713.054  kJ/mol
+      -analytic 10.92998E-1 00E+0 -25.73029E+1 00E+0 00E+0
+
+Sr+2 + F- = SrF+
+      log_k 0.3 #96BOU
+      delta_h 16.74 #kJ/mol 96BOU
+#     Enthalpy of formation: -869.510  kJ/mol
+      -analytic 32.32722E-1 00E+0 -87.43911E+1 00E+0 00E+0
+
+Sr+2 + 2 F- = SrF2
+      log_k 2.02 #96FAL/REA
+      -analytic 20.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + I- = SrI+
+      log_k 0.14 #estimation NEA87 01/02/95
+      -analytic 14E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + 2 I- = SrI2
+      log_k -0.04 #estimation NEA87 01/02/95
+      -analytic -40E-3 00E+0 00E+0 00E+0 00E+0
+
+Sr+2 + UO2+2 + 3 CO3-2 = SrUO2(CO3)3-2
+      log_k 25.9 #20GRE/GAO
+      -analytic 25.9E+0 00E+0 00E+0 00E+0 00E+0
+
+2 TcO(OH)2 + 2 H+ - 2 H2O = Tc2O2(OH)2+2
+      log_k 12.99 #20GRE/GAO
+      -analytic 12.99E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + 2 H+ + CO3-2 - H2O = TcCO3(OH)2
+      log_k 19.25 #99RAR/RAN
+      -analytic 19.25E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + H+ + CO3-2 = TcCO3(OH)3-
+      log_k 10.95 #99RAR/RAN
+      -analytic 10.95E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + H+ - H2O + Acetate- = TcO(OH)(Acetate)
+      log_k 5.55 #11RIC/GRI
+      -analytic 55.5E-1 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + H+ + Nta-3 - H2O = TcO(OH)(Nta)-2
+      log_k 13.3 #95AKR/BOU
+      -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + H+ + 2 Nta-3 - H2O = TcO(OH)(Nta)2-5
+      log_k 11.7 #95AKR/BOU
+      -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + Cit-3 = TcO(OH)2Cit-3
+      log_k 2.8 #13WAL/KAR
+      -analytic 28E-1 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 - H+ + H2O = TcO(OH)3-
+      log_k -10.92 #20GRE/GAO
+      delta_h 39.03 #kJ/mol 97NGU/LAN
+#     Enthalpy of formation: -996.043  kJ/mol
+      -analytic -40.82238E-1 00E+0 -20.38679E+2 00E+0 00E+0
+
+TcO(OH)2 + 2 H+ + Ox-2 - 2 H2O = TcO(Ox)
+      log_k 9.8 #06XIA/HES
+      -analytic 98E-1 00E+0 00E+0 00E+0 00E+0
+
+TcO(OH)2 + 2 H+ + 2 Ox-2 - 2 H2O = TcO(Ox)2-2
+      log_k 13.66 #06XIA/HES
+      -analytic 13.66E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Acetate- = Th(Acetate)+3
+      log_k 5.24 #11RIC/GRI
+      -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 Acetate- = Th(Acetate)2+2
+      log_k 9.44 #11RIC/GRI
+      -analytic 94.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 3 Acetate- = Th(Acetate)3+
+      log_k 12.56 #11RIC/GRI
+      -analytic 12.56E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 4 Acetate- = Th(Acetate)4
+      log_k 14.38 #11RIC/GRI
+      -analytic 14.38E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 5 Acetate- = Th(Acetate)5-
+      log_k 15.37 #11RIC/GRI
+      -analytic 15.37E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Cit-3 = Th(Cit)+
+      log_k 14.13 #87RAY/DUF
+      -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 Cit-3 = Th(Cit)2-2
+      log_k 24.29 #87RAY/DUF
+      -analytic 24.29E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 5 CO3-2 = Th(CO3)5-6
+      log_k 31 #09RAN/FUG
+      -analytic 31E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Edta-4 = Th(Edta)
+      log_k 26.95 #95AKR/BOU
+      -analytic 26.95E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + H2(PO4)- = Th(H2PO4)+3
+      log_k 5.59 #09RAN/FUG
+      -analytic 55.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 H2(PO4)- = Th(H2PO4)2+2
+      log_k 10.48 #09RAN/FUG
+      -analytic 10.48E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + H+ + 2 H2(PO4)- = Th(H3PO4)(H2PO4)+3
+      log_k 9.7 #09RAN/FUG
+      -analytic 97E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + H+ + H2(PO4)- = Th(H3PO4)+4
+      log_k 4.03 #09RAN/FUG
+      -analytic 40.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + H+ + Edta-4 = Th(HEdta)+
+      log_k 28.7 #95AKR/BOU
+      -analytic 28.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + H+ + Ox-2 = Th(HOx)+3
+      log_k 11 #95AKR/BOU
+      -analytic 11E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 H+ + 2 Ox-2 = Th(HOx)2+2
+      log_k 18.13 #95AKR/BOU
+      -analytic 18.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 4 H+ + 4 Ox-2 = Th(HOx)4
+      log_k 24.3 #95AKR/BOU
+      -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Malonate-2 = Th(Malonate)+2
+      log_k 9.32 #13GRI/CAM
+      -analytic 93.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 Malonate-2 = Th(Malonate)2
+      log_k 16.07 #13GRI/CAM
+      -analytic 16.07E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 3 Malonate-2 = Th(Malonate)3-2
+      log_k 19.63 #13GRI/CAM
+      -analytic 19.63E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + NO3- = Th(NO3)+3
+      log_k 1.3 #09RAN/FUG
+      -analytic 13E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 NO3- = Th(NO3)2+2
+      log_k 2.3 #09RAN/FUG
+      -analytic 23E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Nta-3 = Th(Nta)+
+      log_k 19.73 #16BON/AUP
+      -analytic 19.73E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - H+ + 4 CO3-2 + H2O = Th(OH)(CO3)4-5
+      log_k 21.6 #09RAN/FUG
+      -analytic 21.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - H+ + Edta-4 + H2O = Th(OH)(Edta)-
+      log_k 19.5 #95AKR/BOU
+      -analytic 19.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - H+ + H2O = Th(OH)+3
+      log_k -2.5 #09RAN/FUG
+      delta_h 44.2 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -1010.330 kJ/mol
+      -analytic 52.43508E-1 00E+0 -23.08727E+2 00E+0 00E+0
+
+Th+4 - 2 H+ + CO3-2 + 2 H2O = Th(OH)2(CO3)
+      log_k 2.5 #09RAN/FUG
+      -analytic 25E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 2 H+ + 2 CO3-2 + 2 H2O = Th(OH)2(CO3)2-2
+      log_k 8.8 #09RAN/FUG
+      -analytic 88E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 2 H+ + 2 H2O = Th(OH)2+2
+      log_k -6.2 #09RAN/FUG
+      delta_h 85.7 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -1254.660 kJ/mol
+      -analytic 88.13996E-1 00E+0 -44.76423E+2 00E+0 00E+0
+
+Th+4 - 2 H+ + Edta-4 + 2 H2O = Th(OH)2Edta-2
+      log_k 11.5 #03XIA/FEL
+      -analytic 11.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 3 H+ + CO3-2 + 3 H2O = Th(OH)3(CO3)-
+      log_k -3.7 #09RAN/FUG
+      -analytic -37E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 3 H+ + 2 HGlu- + 3 H2O = Th(OH)3(HGlu)2-
+      log_k -4.9 #Analogy with An(IV)-ISA
+      -analytic -49E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 3 H+ + 2 HIsa- + 3 H2O = Th(OH)3(HIsa)2-
+      log_k -4.9 #09RAI/YUI
+      -analytic -49E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 3 H+ + 3 H2O = Th(OH)3+
+      log_k -11 #10GRI/RIB
+      delta_h 125.623 #kJ/mol
+#     Enthalpy of formation: -1500.566 kJ/mol
+      -analytic 11.0082E+0 00E+0 -65.61746E+2 00E+0 00E+0
+
+Th+4 - 3 H+ + Edta-4 + 3 H2O = Th(OH)3Edta-3
+      log_k -4 #03XIA/FEL
+      -analytic -40E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 4 H+ + 4 H2O = Th(OH)4
+      log_k -17.4 #09RAN/FUG
+      delta_h 152.688 #kJ/mol
+#     Enthalpy of formation: -1759.331 kJ/mol
+      -analytic 93.49789E-1 00E+0 -79.7545E+2 00E+0 00E+0
+
+Th+4 - 4 H+ + CO3-2 + 4 H2O = Th(OH)4(CO3)-2
+      log_k -15.6 #09RAN/FUG
+      -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 4 H+ + HGlu- + 4 H2O = Th(OH)4(HGlu)-
+      log_k -14.7 #Analogy with An(IV)-ISA
+      -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 4 H+ + 2 HGlu- + 4 H2O = Th(OH)4(HGlu)2-2
+      log_k -12.5 #Analogy with An(IV)-ISA
+      -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 4 H+ + HIsa- + 4 H2O = Th(OH)4(HIsa)-
+      log_k -14.7 #Reevaluated from 09RAI/YUI
+      -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 - 4 H+ + 2 HIsa- + 4 H2O = Th(OH)4(HIsa)2-2
+      log_k -12.5 #Reevaluated from 09RAI/YUI
+      -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Ox-2 = Th(Ox)+2
+      log_k 9.7 #08SAS/TAK; 09KOB/SAS
+      -analytic 97E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 Ox-2 = Th(Ox)2
+      log_k 16 #08SAS/TAK; 09KOB/SAS
+      -analytic 16E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 3 Ox-2 = Th(Ox)3-2
+      log_k 22.2 #08SAS/TAK; 09KOB/SAS
+      -analytic 22.2E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + SO4-2 = Th(SO4)+2
+      log_k 6.17 #09RAN/FUG
+      delta_h 20.92 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -1657.120 kJ/mol
+      -analytic 98.35027E-1 00E+0 -10.92728E+2 00E+0 00E+0
+
+Th+4 + 2 SO4-2 = Th(SO4)2
+      log_k 9.69 #09RAN/FUG
+      delta_h 40.38 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -2547.000 kJ/mol
+      -analytic 16.76427E+0 00E+0 -21.09194E+2 00E+0 00E+0
+
+Th+4 + 3 SO4-2 = Th(SO4)3-2
+      log_k 10.75 #09RAN/FUG
+      -analytic 10.75E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + Succinat-2 = Th(Succinat)+2
+      log_k 8.49 #13GRI/CAM
+      -analytic 84.9E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 2 Succinat-2 = Th(Succinat)2
+      log_k 12.92 #13GRI/CAM
+      -analytic 12.92E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 3 Succinat-2 = Th(Succinat)3-2
+      log_k 16.62 #13GRI/CAM
+      -analytic 16.62E+0 00E+0 00E+0 00E+0 00E+0
+
+2 Th+4 - 2 H+ + 2 H2O = Th2(OH)2+6
+      log_k -5.9 #09RAN/FUG
+      delta_h 58.3 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -2050.760 kJ/mol
+      -analytic 43.13722E-1 00E+0 -30.45221E+2 00E+0 00E+0
+
+2 Th+4 - 3 H+ + 3 H2O = Th2(OH)3+5
+      log_k -6.8 #09RAN/FUG
+      -analytic -68E-1 00E+0 00E+0 00E+0 00E+0
+
+4 Th+4 - 12 H+ + 12 H2O = Th4(OH)12+4
+      log_k -26.6 #09RAN/FUG
+      -analytic -26.6E+0 00E+0 00E+0 00E+0 00E+0
+
+4 Th+4 - 8 H+ + 8 H2O = Th4(OH)8+8
+      log_k -20.4 #09RAN/FUG
+      delta_h 243 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -5118.440 kJ/mol
+      -analytic 22.17177E+0 00E+0 -12.69277E+3 00E+0 00E+0
+
+6 Th+4 - 14 H+ + 14 H2O = Th6(OH)14+10
+      log_k -36.8 #09RAN/FUG
+      -analytic -36.8E+0 00E+0 00E+0 00E+0 00E+0
+
+6 Th+4 - 15 H+ + 15 H2O = Th6(OH)15+9
+      log_k -36.8 #09RAN/FUG
+      delta_h 472.8 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -8426.850 kJ/mol
+      -analytic 46.031E+0 00E+0 -24.69606E+3 00E+0 00E+0
+
+Th+4 + Cl- = ThCl+3
+      log_k 1.7 #09RAN/FUG
+      -analytic 17E-1 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + F- = ThF+3
+      log_k 8.87 #09RAN/FUG
+      delta_h -0.4 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -1104.450 kJ/mol
+      -analytic 87.99923E-1 00E+0 20.89346E+0 00E+0 00E+0
+
+Th+4 + 2 F- = ThF2+2
+      log_k 15.63 #09RAN/FUG
+      delta_h -3.3 #kJ/mol 09RAN/FUG
+#     Enthalpy of formation: -1442.700 kJ/mol
+      -analytic 15.05186E+0 00E+0 17.2371E+1 00E+0 00E+0
+
+Th+4 + 3 F- = ThF3+
+      log_k 20.67 #09RAN/FUG
+      -analytic 20.67E+0 00E+0 00E+0 00E+0 00E+0
+
+Th+4 + 4 F- = ThF4
+      log_k 25.58 #09RAN/FUG
+      -analytic 25.58E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + Acetate- = U(Acetate)+3
+      log_k 5.64 #12GRI/GAR2
+      -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 2 Acetate- = U(Acetate)2+2
+      log_k 9.81 #12GRI/GAR2
+      -analytic 98.1E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 4 CO3-2 = U(CO3)4-4
+      log_k 35.12 #03GUI/FAN
+      -analytic 35.12E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 5 CO3-2 = U(CO3)5-6
+      log_k 34 #03GUI/FAN
+      delta_h -20 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -3987.350 kJ/mol
+      -analytic 30.49615E+0 00E+0 10.44673E+2 00E+0 00E+0
+
+U+4 + Edta-4 = U(Edta)
+      log_k 29.5 #05HUM/AND
+      -analytic 29.5E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + NO3- = U(NO3)+3
+      log_k 1.47 #92GRE/FUG
+      -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 2 NO3- = U(NO3)2+2
+      log_k 2.3 #92GRE/FUG
+      -analytic 23E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + Nta-3 = U(Nta)+
+      log_k 20 #95AKR/BOU
+      -analytic 20E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 - H+ + Edta-4 + H2O = U(OH)(Edta)-
+      log_k 22.7 #23ROD/COL
+      -analytic 22.7E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 - H+ + H2O = U(OH)+3
+      log_k -0.54 #20GRE/GAO
+      delta_h 46.91 #kJ/mol
+#     Enthalpy of formation: -830.119  kJ/mol
+      -analytic 76.78279E-1 00E+0 -24.5028E+2 00E+0 00E+0
+
+U+4 - 2 H+ + 2 CO3-2 + 2 H2O = U(OH)2(CO3)2-2
+      log_k 14.36 #98RAI/HES
+      -analytic 14.36E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 2 H+ + Edta-4 + 2 H2O = U(OH)2(Edta)-2
+      log_k 16.68 #23ROD/COL
+      -analytic 16.68E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 2 H+ + 2 H2O = U(OH)2+2
+      log_k -1.9 #20GRE/GAO
+      delta_h 59.014 #kJ/mol
+#     Enthalpy of formation: -1103.845 kJ/mol
+      -analytic 84.38809E-1 00E+0 -30.82516E+2 00E+0 00E+0
+
+U+4 - 3 H+ + Edta-4 + 3 H2O = U(OH)3(Edta)-3
+      log_k 7.06 #23ROD/COL
+      -analytic 70.6E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 3 H+ + 3 H2O = U(OH)3+
+      log_k -5.2 #20GRE/GAO
+      delta_h 89.407 #kJ/mol
+#     Enthalpy of formation: -1359.281 kJ/mol
+      -analytic 10.46343E+0 00E+0 -46.70053E+2 00E+0 00E+0
+
+U+4 - 4 H+ + 4 H2O = U(OH)4
+      log_k -10 #03GUI/FAN
+      delta_h 109.87 #kJ/mol
+#     Enthalpy of formation: -1624.649 kJ/mol
+      -analytic 92.48398E-1 00E+0 -57.3891E+2 00E+0 00E+0
+
+U+4 - 4 H+ + HGlu- + 4 H2O = U(OH)4(HGlu)-
+      log_k -7.6 #Analogy with An(IV)-ISA
+      -analytic -76E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 4 H+ + 2 HGlu- + 4 H2O = U(OH)4(HGlu)2-2
+      log_k -5.4 #Analogy with An(IV)-ISA
+      -analytic -54E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 4 H+ + HIsa- + 4 H2O = U(OH)4(HIsa)-
+      log_k -7.6 #19KOB/SAS
+      -analytic -76E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 - 4 H+ + 2 HIsa- + 4 H2O = U(OH)4(HIsa)2-2
+      log_k -5.4 #19KOB/SAS
+      -analytic -54E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 2 Ox-2 = U(Ox)2
+      log_k 18.63 #12GRI/GAR2
+      -analytic 18.63E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + 3 Ox-2 = U(Ox)3-2
+      log_k 24.19 #12GRI/GAR2
+      -analytic 24.19E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + SO4-2 = U(SO4)+2
+      log_k 6.58 #92GRE/FUG
+      delta_h 8 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1492.540 kJ/mol
+      -analytic 79.8154E-1 00E+0 -41.78691E+1 00E+0 00E+0
+
+U+4 + 2 SO4-2 = U(SO4)2
+      log_k 10.51 #92GRE/FUG
+      delta_h 32.7 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -2377.180 kJ/mol
+      -analytic 16.23879E+0 00E+0 -17.0804E+2 00E+0 00E+0
+
+U+4 + Br- = UBr+3
+      log_k 1.46 #92GRE/FUG
+      -analytic 14.6E-1 00E+0 00E+0 00E+0 00E+0
+
+U+4 + Cl- = UCl+3
+      log_k 1.72 #92GRE/FUG
+      delta_h -19 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -777.280  kJ/mol
+      -analytic -16.08657E-1 00E+0 99.24391E+1 00E+0 00E+0
+
+U+4 + F- = UF+3
+      log_k 9.42 #03GUI/FAN
+      delta_h -5.6 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -932.150  kJ/mol
+      -analytic 84.38922E-1 00E+0 29.25084E+1 00E+0 00E+0
+
+U+4 + 2 F- = UF2+2
+      log_k 16.56 #03GUI/FAN
+      delta_h -3.5 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1265.400 kJ/mol
+      -analytic 15.94683E+0 00E+0 18.28177E+1 00E+0 00E+0
+
+U+4 + 3 F- = UF3+
+      log_k 21.89 #03GUI/FAN
+      delta_h 0.5 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1596.750 kJ/mol
+      -analytic 21.9776E+0 00E+0 -26.11682E+0 00E+0 00E+0
+
+U+4 + 4 F- = UF4
+      log_k 26.34 #03GUI/FAN
+      delta_h -8.43 #kJ/mol
+#     Enthalpy of formation: -1941.028 kJ/mol
+      -analytic 24.86313E+0 00E+0 44.03296E+1 00E+0 00E+0
+
+U+4 + 5 F- = UF5-
+      log_k 27.73 #03GUI/FAN
+      delta_h -11.636 #kJ/mol
+#     Enthalpy of formation: -2279.584 kJ/mol
+      -analytic 25.69146E+0 00E+0 60.77906E+1 00E+0 00E+0
+
+U+4 + 6 F- = UF6-2
+      log_k 29.8 #03GUI/FAN
+      -analytic 29.8E+0 00E+0 00E+0 00E+0 00E+0
+
+U+4 + I- = UI+3
+      log_k 1.25 #92GRE/FUG
+      -analytic 12.5E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Acetate- = UO2(Acetate)+
+      log_k 3.02 #11RIC/GRI
+      delta_h -15.894 #kJ/mol
+#     Enthalpy of formation: -1520.904 kJ/mol
+      -analytic 23.54907E-2 00E+0 83.02014E+1 00E+0 00E+0
+
+UO2+2 + 2 Acetate- = UO2(Acetate)2
+      log_k 5.2 #11RIC/GRI
+      delta_h -34.94 #kJ/mol
+#     Enthalpy of formation: -2025.960 kJ/mol
+      -analytic -92.12252E-2 00E+0 18.25043E+2 00E+0 00E+0
+
+UO2+2 + 3 Acetate- = UO2(Acetate)3-
+      log_k 7.03 #11RIC/GRI
+      delta_h -65.46 #kJ/mol
+#     Enthalpy of formation: -2542.491 kJ/mol
+      -analytic -44.381E-1 00E+0 34.19214E+2 00E+0 00E+0
+
+UO2+2 + Cit-3 = UO2(Cit)-
+      log_k 8.96 #05HUM/AND
+      -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + CO3-2 = UO2(CO3)
+      log_k 9.94 #03GUI/FAN
+      delta_h 5 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1689.230 kJ/mol
+      -analytic 10.81596E+0 00E+0 -26.11682E+1 00E+0 00E+0
+
+UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+      log_k 16.61 #03GUI/FAN
+      delta_h 18.5 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -2350.960 kJ/mol
+      -analytic 19.85106E+0 00E+0 -96.63223E+1 00E+0 00E+0
+
+UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+      log_k 21.84 #03GUI/FAN
+      delta_h -39.2 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -3083.890 kJ/mol
+      -analytic 14.97245E+0 00E+0 20.47559E+2 00E+0 00E+0
+
+UO2+ + 3 CO3-2 = UO2(CO3)3-5
+      log_k 6.95 #03GUI/FAN
+      -analytic 69.5E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Edta-4 = UO2(Edta)-2
+      log_k 13.7 #05HUM/AND
+      -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + 2 H+ + AsO4-3 = UO2(H2AsO4)+
+      log_k 21.96 #03GUI/FAN
+      -analytic 21.96E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + 4 H+ + 2 AsO4-3 = UO2(H2AsO4)2
+      log_k 41.53 #03GUI/FAN
+      -analytic 41.53E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H+ + 2 H2(PO4)- = UO2(H2PO4)(H3PO4)+
+      log_k 5.93 #92GRE/FUG
+      -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H2(PO4)- = UO2(H2PO4)+
+      log_k 3.26 #92GRE/FUG
+      delta_h -15.34 #kJ/mol
+#     Enthalpy of formation: -2336.940 kJ/mol
+      -analytic 57.25474E-2 00E+0 80.1264E+1 00E+0 00E+0
+
+UO2+2 + 2 H2(PO4)- = UO2(H2PO4)2
+      log_k 4.92 #92GRE/FUG
+      delta_h -51.871 #kJ/mol
+#     Enthalpy of formation: -3676.070 kJ/mol
+      -analytic -41.67409E-1 00E+0 27.09411E+2 00E+0 00E+0
+
+UO2+2 + H+ + H2(PO4)- = UO2(H3PO4)+2
+      log_k 2.9 #92GRE/FUG
+      -analytic 29E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H+ + AsO4-3 = UO2(HAsO4)
+      log_k 18.76 #03GUI/FAN
+      -analytic 18.76E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H+ + Cit-3 = UO2(HCit)
+      log_k 11.36 #05HUM/AND
+      -analytic 11.36E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H+ + Edta-4 = UO2(HEdta)-
+      log_k 19.61 #05HUM/AND
+      -analytic 19.61E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + HGlu- = UO2(HGlu)+
+      log_k 2.59 #09ZHA/HEL
+      -analytic 25.9E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + HIsa- = UO2(HIsa)+
+      log_k 3.7 #04RAO/GAR
+      -analytic 37E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + 2 HIsa- = UO2(HIsa)2
+      log_k 6.6 #04RAO/GAR
+      -analytic 66E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + 3 HIsa- = UO2(HIsa)3-
+      log_k 8.5 #04RAO/GAR
+      -analytic 85E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + H+ + Nta-3 = UO2(HNta)
+      log_k 14.5 #06DES/GIA
+      -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - H+ + H2(PO4)- = UO2(HPO4)
+      log_k 0.03 #92GRE/FUG
+      delta_h 2.783 #kJ/mol
+#     Enthalpy of formation: -2318.816 kJ/mol
+      -analytic 51.75607E-2 00E+0 -14.53662E+1 00E+0 00E+0
+
+UO2+2 + 2 H+ + 2 SeO3-2 = UO2(HSeO3)2
+      log_k 22.23 #20GRE/GAO
+      -analytic 22.23E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - 12 H+ - 12 e- + 2 I- + 6 H2O = UO2(IO3)2
+      log_k -219.54 #92GRE/FUG
+      -analytic -21.954E+1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + NO3- = UO2(NO3)+
+      log_k -0.19 #20GRE/GAO
+      delta_h 20.9 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1204.950 kJ/mol
+      -analytic 34.71523E-1 00E+0 -10.91683E+2 00E+0 00E+0
+
+UO2+2 + Nta-3 = UO2(Nta)-
+      log_k 10.15 #06DES/GIA
+      -analytic 10.15E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - H+ + HGlu- + H2O = UO2(OH)(HGlu)
+      log_k 0.2 #09ZHA/HEL
+      -analytic 20E-2 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - H+ + Ox-2 + H2O = UO2(OH)(Ox)-
+      log_k 0.63 #56GRI/PTI
+      -analytic 63E-2 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - H+ + H2O = UO2(OH)+
+      log_k -5.25 #03GUI/FAN
+      delta_h 43.3 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1261.530 kJ/mol
+      -analytic 23.35834E-1 00E+0 -22.61717E+2 00E+0 00E+0
+
+UO2+2 - 2 H+ + 2 H2O = UO2(OH)2
+      log_k -12.15 #03GUI/FAN
+      delta_h 76.821 #kJ/mol
+#     Enthalpy of formation: -1513.839 kJ/mol
+      -analytic 13.08461E-1 00E+0 -40.1264E+2 00E+0 00E+0
+
+UO2+2 - 3 H+ + 3 H2O = UO2(OH)3-
+      log_k -20.25 #03GUI/FAN
+      delta_h 113.757 #kJ/mol
+#     Enthalpy of formation: -1762.732 kJ/mol
+      -analytic -32.06291E-2 00E+0 -59.41942E+2 00E+0 00E+0
+
+UO2+2 - 3 H+ + 2 HIsa- + 3 H2O = UO2(OH)3(HIsa)2-3
+      log_k -14.5 #19KOB/SAS
+      -analytic -14.5E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - 4 H+ + 4 H2O = UO2(OH)4-2
+      log_k -32.4 #03GUI/FAN
+      delta_h 164.152 #kJ/mol
+#     Enthalpy of formation: -1998.167 kJ/mol
+      -analytic -36.41804E-1 00E+0 -85.74256E+2 00E+0 00E+0
+
+UO2+2 + Ox-2 = UO2(Ox)
+      log_k 7.13 #05HUM/AND
+      delta_h 25.36 #kJ/mol
+#     Enthalpy of formation: -1824.300 kJ/mol  05HUM/AND
+      -analytic 11.57288E+0 00E+0 -13.24645E+2 00E+0 00E+0
+
+UO2+2 + 2 Ox-2 = UO2(Ox)2-2
+      log_k 11.65 #05HUM/AND
+      -analytic 11.65E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + 3 Ox-2 = UO2(Ox)3-4
+      log_k 13.8 #05HUM/AND
+      -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Phthalat-2 = UO2(Phthalat)
+      log_k 5.56 #11GRI/COL2
+      -analytic 55.6E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - 2 H+ + H2(PO4)- = UO2(PO4)-
+      log_k -8.55 #20GRE/GAO
+      -analytic -85.5E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + S2O3-2 = UO2(S2O3)
+      log_k 2.8 #92GRE/FUG
+      -analytic 28E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + SeO4-2 = UO2(SeO4)
+      log_k 2.93 #20GRE/GAO
+      delta_h 20 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1602.500 kJ/mol
+      -analytic 64.3385E-1 00E+0 -10.44673E+2 00E+0 00E+0
+
+UO2+2 + 2 SeO4-2 = UO2(SeO4)2-2
+      log_k 4.03 #20GRE/GAO
+      delta_h 31 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2195.000 kJ/mol
+      -analytic 94.60967E-1 00E+0 -16.19243E+2 00E+0 00E+0
+
+UO2+2 + SO3-2 = UO2(SO3)
+      log_k 6.6 #92GRE/FUG
+      -analytic 66E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + SO4-2 = UO2(SO4)
+      log_k 3.15 #20GRE/GAO
+      delta_h 19.5 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -1908.840 kJ/mol
+      -analytic 65.66253E-1 00E+0 -10.18556E+2 00E+0 00E+0
+
+UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+      log_k 4.14 #20GRE/GAO
+      delta_h 35.1 #kJ/mol 03GUI/FAN
+#     Enthalpy of formation: -2802.580 kJ/mol
+      -analytic 10.28926E+0 00E+0 -18.33401E+2 00E+0 00E+0
+
+UO2+2 + 3 SO4-2 = UO2(SO4)3-4
+      log_k 3.02 #03GUI/FAN
+      -analytic 30.2E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Succinat-2 = UO2(Succinat)
+      log_k 5.28 #13GRI/CAM
+      -analytic 52.8E-1 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Br- = UO2Br+
+      log_k 0.22 #92GRE/FUG
+      -analytic 22E-2 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + Cl- = UO2Cl+
+      log_k 0.17 #92GRE/FUG
+      delta_h 8 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1178.080 kJ/mol
+      -analytic 15.7154E-1 00E+0 -41.78691E+1 00E+0 00E+0
+
+UO2+2 + 2 Cl- = UO2Cl2
+      log_k -1.1 #92GRE/FUG
+      delta_h 15 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1338.160 kJ/mol
+      -analytic 15.27887E-1 00E+0 -78.35046E+1 00E+0 00E+0
+
+UO2+2 + CO3-2 + F- = UO2CO3F-
+      log_k 13.7 #03GUI/FAN
+      -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + CO3-2 + 2 F- = UO2CO3F2-2
+      log_k 15.57 #03GUI/FAN
+      -analytic 15.57E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + CO3-2 + 3 F- = UO2CO3F3-3
+      log_k 16.38 #03GUI/FAN
+      -analytic 16.38E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 + F- = UO2F+
+      log_k 5.16 #03GUI/FAN
+      delta_h -0.54 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1354.890 kJ/mol
+      -analytic 50.65396E-1 00E+0 28.20616E+0 00E+0 00E+0
+
+UO2+2 + 2 F- = UO2F2
+      log_k 8.83 #03GUI/FAN
+      delta_h -1.34 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -1691.040 kJ/mol
+      -analytic 85.95242E-1 00E+0 69.99307E+0 00E+0 00E+0
+
+UO2+2 + 3 F- = UO2F3-
+      log_k 10.9 #03GUI/FAN
+      delta_h -1.18 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2026.230 kJ/mol
+      -analytic 10.69327E+0 00E+0 61.63569E+0 00E+0 00E+0
+
+UO2+2 + 4 F- = UO2F4-2
+      log_k 11.84 #03GUI/FAN
+      delta_h -2.12 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2362.520 kJ/mol
+      -analytic 11.46859E+0 00E+0 11.07353E+1 00E+0 00E+0
+
+UO2+2 + H+ + SeO3-2 = UO2HSeO3+
+      log_k 11.63 #20GRE/GAO
+      -analytic 11.63E+0 00E+0 00E+0 00E+0 00E+0
+
+UO2+2 - 6 H+ - 6 e- + I- + 3 H2O = UO2IO3+
+# DLP: This species will be in the U(6) and I(-1) mole balance
+      log_k -109.56 #92GRE/FUG
+      delta_h 704.37 #kJ/mol 92GRE/FUG
+#     Enthalpy of formation: -1228.900 kJ/mol
+      -analytic 13.84033E+0 00E+0 -36.79181E+3 00E+0 00E+0
+
+UO2+2 - H+ + H4(SiO4) = UO2SiO(OH)3+
+      log_k -1.88 #20GRE/GAO
+      delta_h 40 #kJ/mol 20GRE/GAO
+#     Enthalpy of formation: -2440.194 kJ/mol
+      -analytic 51.27699E-1 00E+0 -20.89346E+2 00E+0 00E+0
+
+U+4 + Ox-2 = UOx+2
+      log_k 10.67 #12GRI/GAR2
+      -analytic 10.67E+0 00E+0 00E+0 00E+0 00E+0
+
+Zn+2 + SeO4-2 = Zn(SeO4)
+      log_k 2.16 #05OLI/NOL
+      delta_h 4.6 #kJ/mol 05OLI/NOL
+#     Enthalpy of formation: -752.290  kJ/mol
+      -analytic 29.65885E-1 00E+0 -24.02747E+1 00E+0 00E+0
+
+4 CO3-2 + Zr+4 = Zr(CO3)4-4
+      log_k 42.9 #05BRO/CUR
+      -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0
+
+2 NO3- + Zr+4 = Zr(NO3)2+2
+      log_k 2.64 #05BRO/CUR
+      -analytic 26.4E-1 00E+0 00E+0 00E+0 00E+0
+
+- H+ + Zr+4 + H2O = Zr(OH)+3
+      log_k 0.32 #05BRO/CUR
+      -analytic 32E-2 00E+0 00E+0 00E+0 00E+0
+
+- 2 H+ + Zr+4 + 2 H2O = Zr(OH)2+2
+      log_k 0.98 #05BRO/CUR
+      -analytic 98E-2 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + Zr+4 + 4 H2O = Zr(OH)4
+      log_k -2.19 #05BRO/CUR
+      -analytic -21.9E-1 00E+0 00E+0 00E+0 00E+0
+
+- 6 H+ + Zr+4 + 6 H2O = Zr(OH)6-2
+      log_k -29 #05BRO/CUR
+      -analytic -29E+0 00E+0 00E+0 00E+0 00E+0
+
+2 SO4-2 + Zr+4 = Zr(SO4)2
+      log_k 11.54 #05BRO/CUR
+      delta_h 67.38 #kJ/mol
+#     Enthalpy of formation: -2359.800 kJ/mol  05BRO/CUR
+      -analytic 23.34447E+0 00E+0 -35.19503E+2 00E+0 00E+0
+
+3 SO4-2 + Zr+4 = Zr(SO4)3-2
+      log_k 14.3 #05BRO/CUR
+      -analytic 14.3E+0 00E+0 00E+0 00E+0 00E+0
+
+- 4 H+ + 3 Zr+4 + 4 H2O = Zr3(OH)4+8
+      log_k 0.4 #05BRO/CUR
+      delta_h -1.98 #kJ/mol
+#     Enthalpy of formation: -2970.800 kJ/mol  05BRO/CUR
+      -analytic 53.11889E-3 00E+0 10.34226E+1 00E+0 00E+0
+
+- 15 H+ + 4 Zr+4 + 15 H2O = Zr4(OH)15+
+      log_k 12.58 #05BRO/CUR
+      -analytic 12.58E+0 00E+0 00E+0 00E+0 00E+0
+
+- 16 H+ + 4 Zr+4 + 16 H2O = Zr4(OH)16
+      log_k 8.39 #05BRO/CUR
+      delta_h 301.12 #kJ/mol
+#     Enthalpy of formation: -6706.160 kJ/mol  05BRO/CUR
+      -analytic 61.14396E+0 00E+0 -15.72859E+3 00E+0 00E+0
+
+Cl- + Zr+4 = ZrCl+3
+      log_k 1.59 #05BRO/CUR
+      -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0
+
+2 Cl- + Zr+4 = ZrCl2+2
+      log_k 2.17 #05BRO/CUR
+      -analytic 21.7E-1 00E+0 00E+0 00E+0 00E+0
+
+F- + Zr+4 = ZrF+3
+      log_k 10.12 #05BRO/CUR
+      delta_h -17.5 #kJ/mol 05BRO/CUR
+#     Enthalpy of formation: -961.350  kJ/mol
+      -analytic 70.54132E-1 00E+0 91.40887E+1 00E+0 00E+0
+
+2 F- + Zr+4 = ZrF2+2
+      log_k 18.55 #05BRO/CUR
+      delta_h -16.8 #kJ/mol 05BRO/CUR
+#     Enthalpy of formation: -1296.000 kJ/mol
+      -analytic 15.60677E+0 00E+0 87.75251E+1 00E+0 00E+0
+
+3 F- + Zr+4 = ZrF3+
+      log_k 24.72 #05BRO/CUR
+      delta_h -11.2 #kJ/mol 05BRO/CUR
+#     Enthalpy of formation: -1625.750 kJ/mol
+      -analytic 22.75784E+0 00E+0 58.50167E+1 00E+0 00E+0
+
+4 F- + Zr+4 = ZrF4
+      log_k 30.11 #05BRO/CUR
+      delta_h -22 #kJ/mol 05BRO/CUR
+#     Enthalpy of formation: -1971.900 kJ/mol
+      -analytic 26.25577E+0 00E+0 11.4914E+2 00E+0 00E+0
+
+5 F- + Zr+4 = ZrF5-
+      log_k 34.6 #05BRO/CUR
+      -analytic 34.6E+0 00E+0 00E+0 00E+0 00E+0
+
+6 F- + Zr+4 = ZrF6-2
+      log_k 38.11 #05BRO/CUR
+      -analytic 38.11E+0 00E+0 00E+0 00E+0 00E+0
+
+NO3- + Zr+4 = ZrNO3+3
+      log_k 1.59 #05BRO/CUR
+      -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0
+
+SO4-2 + Zr+4 = ZrSO4+2
+      log_k 7.04 #05BRO/CUR
+      delta_h 36.94 #kJ/mol
+#     Enthalpy of formation: -1480.900 kJ/mol  05BRO/CUR
+      -analytic 13.51161E+0 00E+0 -19.29511E+2 00E+0 00E+0
 
 
 PHASES
 
+(HgOH)3PO4(s)
+(HgOH)3PO4 = -5 H+ + H2(PO4)- + 3 H2O + 3 Hg+2
+      log_k -3.8 #05POW/BRO
+      -analytic -38E-1 00E+0 00E+0 00E+0 00E+0
+
+(NH4)4NpO2(CO3)3(cr)
+(NH4)4NpO2(CO3)3 = NpO2+2 + 4 H+ + 3 CO3-2 + 4 NH3
+      log_k -64.3 #20GRE/GAO
+      -analytic -64.3E+0 00E+0 00E+0 00E+0 00E+0
+
+(PuO2)3(PO4)2:4H2O(am)
+(PuO2)3(PO4)2:4H2O = 3 PuO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O
+      log_k -9.85 #20GRE/GAO
+      -analytic -98.5E-1 00E+0 00E+0 00E+0 00E+0
+
 (UO2)2(As2O7)(cr)
-(UO2)2(As2O7)     = 2.000UO2+2     + 2.000H+     + 2.000AsO4-3     - 1.000H2O
-     log_k   -29.010     
-     delta_h -102.450    #kJ/mol        
-     # Enthalpy of formation:           -3426        #kJ/mol        #92GRE/FUG
-     -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0
+(UO2)2(As2O7) = 2 UO2+2 + 2 H+ + 2 AsO4-3 - H2O
+      log_k -29.01
+      delta_h -102.45 #kJ/mol
+#     Enthalpy of formation: -3426.000 kJ/mol  92GRE/FUG
+      -analytic -46.95847E+0 00E+0 53.51336E+2 00E+0 00E+0
 
 (UO2)3(AsO4)2(cr)
-(UO2)3(AsO4)2     = 3.000UO2+2     + 2.000AsO4-3
-     log_k   -27.400     
-     delta_h -143.880    #kJ/mol        
-     # Enthalpy of formation:           -4689.4        #kJ/mol        #92GRE/FUG
-     -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0
+(UO2)3(AsO4)2 = 3 UO2+2 + 2 AsO4-3
+      log_k -27.4
+      delta_h -143.88 #kJ/mol
+#     Enthalpy of formation: -4689.400 kJ/mol  92GRE/FUG
+      -analytic -52.60669E+0 00E+0 75.15376E+2 00E+0 00E+0
 
 (UO2)3(PO4)2(cr)
-(UO2)3(PO4)2     = 3.000UO2+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k     2.800     
-     delta_h -170.900    #kJ/mol        
-     # Enthalpy of formation:           -5491.3        #kJ/mol        #92GRE/FUG
-     -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0
+(UO2)3(PO4)2 = 3 UO2+2 - 4 H+ + 2 H2(PO4)-
+      log_k 2.8
+      delta_h -170.9 #kJ/mol
+#     Enthalpy of formation: -5491.300 kJ/mol  92GRE/FUG
+      -analytic -27.14039E+0 00E+0 89.26729E+2 00E+0 00E+0
 
 (UO2)3(PO4)2:4H2O(cr)
-(UO2)3(PO4)2:4H2O     = 3.000UO2+2     - 4.000H+     + 2.000H2(PO4)-     + 4.000H2O
-     log_k   -14.150     #92SAN/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0
+(UO2)3(PO4)2:4H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O
+      log_k -10.24 #20GRE/GAO
+      -analytic -10.24E+0 00E+0 00E+0 00E+0 00E+0
 
 (UO2)3(PO4)2:6H2O(s)
-(UO2)3(PO4)2:6H2O     = 3.000UO2+2     - 4.000H+     + 2.000H2(PO4)-     + 6.000H2O
-     log_k   -10.200     
-     delta_h  -48.780    #kJ/mol        
-     # Enthalpy of formation:           -7328.4        #kJ/mol        #03GUI/FAN
-     -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0
+(UO2)3(PO4)2:6H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 6 H2O
+      log_k -10.2
+      delta_h -48.78 #kJ/mol
+#     Enthalpy of formation: -7328.400 kJ/mol  03GUI/FAN
+      -analytic -18.74589E+0 00E+0 25.47957E+2 00E+0 00E+0
 
 Acanthite
-Ag2S     = 2.000Ag+     - 1.000H+     + 1.000HS-
-     log_k   -36.070     
-     delta_h  224.768    #kJ/mol        
-     # Enthalpy of formation:           -29.488        #kJ/mol        
-     -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0
+Ag2S = 2 Ag+ - H+ + HS-
+      log_k -36.07
+      delta_h 224.768 #kJ/mol
+#     Enthalpy of formation: -29.488   kJ/mol
+      -analytic 33.07663E-1 00E+0 -11.74045E+3 00E+0 00E+0
 
 Acmite
-NaFeSi2O6     = 1.000Na+     + 1.000Fe+3     - 4.000H+     + 2.000H4(SiO4)     - 2.000H2O
-     log_k     0.920     
-     delta_h  -55.568    #kJ/mol        
-     # Enthalpy of formation:           -2584.5        #kJ/mol        #95ROB/HEM
-     -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0
+NaFeSi2O6 = Na+ + Fe+3 - 4 H+ + 2 H4(SiO4) - 2 H2O
+      log_k 0.89
+      delta_h -56.624 #kJ/mol
+#     Enthalpy of formation: -2584.500 kJ/mol  95ROB/HEM
+      -analytic -90.30099E-1 00E+0 29.57678E+2 00E+0 00E+0
+      -Vm 64.6
 
 Afwillite
-Ca3Si2O4(OH)6     = 3.000Ca+2     - 6.000H+     + 2.000H4(SiO4)     + 2.000H2O
-     log_k    49.420     #10BLA/BOU1
-     delta_h -269.228    #kJ/mol        
-     # Enthalpy of formation:           -4853.82        #kJ/mol        #10BLA/BOU1
-     -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0
+Ca3Si2O4(OH)6 = 3 Ca+2 - 6 H+ + 2 H4(SiO4) + 2 H2O
+      log_k 49.42 #10BLA/BOU1
+      delta_h -269.228 #kJ/mol
+#     Enthalpy of formation: -4853.820 kJ/mol  10BLA/BOU1
+      -analytic 22.53279E-1 00E+0 14.06276E+3 00E+0 00E+0
+      -Vm 129.53
+
+Ag(cr)
+Ag = Ag+ + e-
+      log_k -13.51
+      delta_h 105.79 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  95SIL/BID
+      -analytic 50.23612E-1 00E+0 -55.25797E+2 00E+0 00E+0
 
 Ag(OH)(s)
-Ag(OH)     = 1.000Ag+     - 1.000H+     + 1.000H2O
-     log_k     6.300     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
-
-Ag(SeCn)(cr)
-Ag(SeCn)     = 1.000Ag+     + 1.000H+     + 1.000Cn-     + 1.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -70.020     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0
-
-Ag(s)
-Ag     = 1.000Ag+     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k     7.985     
-     delta_h  -34.092    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #95SIL/BID
-     -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0
+Ag(OH) = Ag+ - H+ + H2O
+      log_k 6.3 #76BAE/MES
+      -analytic 63E-1 00E+0 00E+0 00E+0 00E+0
 
 Ag2(CO3)(s)
-Ag2(CO3)     = 2.000Ag+     + 1.000CO3-2
-     log_k   -11.050     
-     delta_h  42.073     #kJ/mol        
-     # Enthalpy of formation:           -505.723        #kJ/mol        
-     -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0
+Ag2(CO3) = 2 Ag+ + CO3-2
+      log_k -11.05
+      delta_h 42.072 #kJ/mol
+#     Enthalpy of formation: -505.723  kJ/mol
+      -analytic -36.79302E-1 00E+0 -21.97574E+2 00E+0 00E+0
 
 Ag2(MoO4)(s)
-Ag2(MoO4)     = 2.000Ag+     + 1.000MoO4-2
-     log_k   -11.460     
-     delta_h  55.354     #kJ/mol        
-     # Enthalpy of formation:           -840.774        #kJ/mol        
-     -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0
-
-Ag2(SO4)(s)
-Ag2(SO4)     = 2.000Ag+     + 1.000SO4-2
-     log_k    -5.010     
-     delta_h  18.162     #kJ/mol        
-     # Enthalpy of formation:           -715.922        #kJ/mol        
-     -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0
+Ag2(MoO4) = 2 Ag+ + MoO4-2
+      log_k -11.46
+      delta_h 55.324 #kJ/mol
+#     Enthalpy of formation: -840.744  kJ/mol
+      -analytic -17.67651E-1 00E+0 -28.89774E+2 00E+0 00E+0
 
 Ag2(SeO3)(s)
-Ag2(SeO3)     = 2.000Ag+     + 1.000SeO3-2
-     log_k   -15.800     #05OLI/NOL
-     delta_h  67.860     #kJ/mol        
-     # Enthalpy of formation:           -363.44        #kJ/mol        #05OLI/NOL
-     -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0
+Ag2(SeO3) = 2 Ag+ + SeO3-2
+      log_k -15.8 #05OLI/NOL
+      delta_h 67.86 #kJ/mol
+#     Enthalpy of formation: -363.440  kJ/mol  05OLI/NOL
+      -analytic -39.11438E-1 00E+0 -35.44575E+2 00E+0 00E+0
 
 Ag2(SeO4)(s)
-Ag2(SeO4)     = 2.000Ag+     + 1.000SeO4-2
-     log_k    -7.860     #05OLI/NOL
-     delta_h  30.590     #kJ/mol        
-     # Enthalpy of formation:           -422.51        #kJ/mol        #05OLI/NOL
-     -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0
+Ag2(SeO4) = 2 Ag+ + SeO4-2
+      log_k -7.86 #05OLI/NOL
+      delta_h 30.59 #kJ/mol
+#     Enthalpy of formation: -422.510  kJ/mol  05OLI/NOL
+      -analytic -25.00862E-1 00E+0 -15.97827E+2 00E+0 00E+0
+
+Ag2(SO4)(s)
+Ag2(SO4) = 2 Ag+ + SO4-2
+      log_k -5.01
+      delta_h 18.163 #kJ/mol
+#     Enthalpy of formation: -715.922  kJ/mol
+      -analytic -18.27979E-1 00E+0 -94.87196E+1 00E+0 00E+0
 
 Ag2Se(alfa)
-Ag2Se     = 2.000Ag+     - 1.000H+     + 1.000HSe-
-     log_k   -42.850     
-     delta_h  266.009    #kJ/mol        
-     # Enthalpy of formation:           -40.129        #kJ/mol        
-     -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0
+Ag2Se = 2 Ag+ - H+ + HSe-
+      log_k -42.85
+      delta_h 266.009 #kJ/mol
+#     Enthalpy of formation: -40.129   kJ/mol
+      -analytic 37.52776E-1 00E+0 -13.89462E+3 00E+0 00E+0
 
 Ag3(PO4)(s)
-Ag3(PO4)     = 3.000Ag+     - 2.000H+     + 1.000H2(PO4)-
-     log_k     2.010     #03BÖT in 76SMI/MAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0
+Ag3(PO4) = 3 Ag+ - 2 H+ + H2(PO4)-
+      log_k 2.01 #03BÖT in 76SMI/MAR
+      -analytic 20.1E-1 00E+0 00E+0 00E+0 00E+0
 
 AgBr(s)
-AgBr     = 1.000Ag+     + 1.000Br-
-     log_k   -12.290     
-     delta_h  84.725     #kJ/mol        
-     # Enthalpy of formation:           -100.345        #kJ/mol        
-     -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0
+AgBr = Ag+ + Br-
+      log_k -12.29
+      delta_h 84.726 #kJ/mol
+#     Enthalpy of formation: -100.345  kJ/mol
+      -analytic 25.53358E-1 00E+0 -44.25547E+2 00E+0 00E+0
 
 AgCl(cr)
-AgCl     = 1.000Ag+     + 1.000Cl-
-     log_k    -9.750     
-     delta_h  65.720     #kJ/mol        
-     # Enthalpy of formation:           -127.01        #kJ/mol        #92GRE/FUG
-     -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0
+AgCl = Ag+ + Cl-
+      log_k -9.75
+      delta_h 65.72 #kJ/mol
+#     Enthalpy of formation: -127.010  kJ/mol  92GRE/FUG
+      -analytic 17.6365E-1 00E+0 -34.32795E+2 00E+0 00E+0
 
 AgI(s)
-AgI     = 1.000Ag+     + 1.000I-
-     log_k   -16.040     
-     delta_h  110.764    #kJ/mol        
-     # Enthalpy of formation:           -61.754        #kJ/mol        
-     -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0
+AgI = Ag+ + I-
+      log_k -16.04
+      delta_h 110.764 #kJ/mol
+#     Enthalpy of formation: -61.754   kJ/mol
+      -analytic 33.6502E-1 00E+0 -57.85607E+2 00E+0 00E+0
+
+Al(cr)
+Al = Al+3 + 3 e-
+      log_k 85.43
+      delta_h -538.4 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  95POK/HEL
+      -analytic -88.93631E-1 00E+0 28.12259E+3 00E+0 00E+0
 
 Al(PO4)(cr)
-Al(PO4)     = 1.000Al+3     - 2.000H+     + 1.000H2(PO4)-
-     log_k    -2.940     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1822.8        #kJ/mol        
-     -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0
+Al(PO4) = Al+3 - 2 H+ + H2(PO4)-
+      log_k -3.62
+      delta_h -18.2 #kJ/mol
+#     Enthalpy of formation: -1822.800 kJ/mol  03-91 MINTEQL-PSI
+      -analytic -68.08503E-1 00E+0 95.06522E+1 00E+0 00E+0
 
 Al(PO4):2H2O(s)
-Al(PO4):2H2O     = 1.000Al+3     - 2.000H+     + 1.000H2(PO4)-     + 2.000H2O
-     log_k    -2.510     #620BRG91.025   ANDRA 21.10.94
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0
-
-Al(s)
-Al     = 1.000Al+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   149.915     
-     delta_h -958.045    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #95POK/HEL
-     -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0
-
-Al2(OH)(PO4)2(s)
-Al2(OH)(PO4)2     = 2.000Al+3     - 4.000H+     + 2.000H2(PO4)-     + 0.500H2O     + 0.250O2
-     log_k   -37.375     #620BRG91.025   ANDRA 21.10.94
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0
+Al(PO4):2H2O = Al+3 - 2 H+ + H2(PO4)- + 2 H2O
+      log_k -2.51 #620BRG91.025 ANDRA 21.10.94
+      -analytic -25.1E-1 00E+0 00E+0 00E+0 00E+0
 
 Alabandite
-MnS     = 1.000Mn+2     - 1.000H+     + 1.000HS-
-     log_k     0.900     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
+MnS = Mn+2 - H+ + HS-
+      log_k 0.9 #88CHA/NEW
+      -analytic 90E-2 00E+0 00E+0 00E+0 00E+0
 
 Alamosite
-PbSiO3      = 1.000Pb+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     log_k     6.170     
-     delta_h  -29.451    #kJ/mol        
-     # Enthalpy of formation:           -1144.993        #kJ/mol        #98CHA
-     -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0
+PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O
+      log_k 6.17
+      delta_h -29.451 #kJ/mol
+#     Enthalpy of formation: -1144.993 kJ/mol  98CHA
+      -analytic 10.10406E-1 00E+0 15.38333E+2 00E+0 00E+0
 
 Albite-high
-NaAlSi3O8     = 1.000Na+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 4.000H2O
-     log_k     4.140     
-     delta_h  -95.623    #kJ/mol        
-     # Enthalpy of formation:           -3923.38        #kJ/mol        #99ARN/STE
-     -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0
+NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O
+      log_k 4.14
+      delta_h -95.622 #kJ/mol
+#     Enthalpy of formation: -3923.380 kJ/mol  99ARN/STE
+      -analytic -12.61226E+0 00E+0 49.94685E+2 00E+0 00E+0
 
 Albite-low
-NaAlSi3O8     = 1.000Na+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 4.000H2O
-     log_k     2.740     
-     delta_h  -82.813    #kJ/mol        
-     # Enthalpy of formation:           -3936.19        #kJ/mol        #99ARN/STE
-     -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0
-
-Am(CO3)(OH)(am)
-Am(CO3)(OH)     = - 1.000H+     + 1.000Am+3     + 1.000CO3-2     + 1.000H2O
-     log_k    -6.200     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0
-
-Am(CO3)(OH)(cr)
-Am(CO3)(OH)     = - 1.000H+     + 1.000Am+3     + 1.000CO3-2     + 1.000H2O
-     log_k   -11.510     
-     delta_h  -25.260    #kJ/mol        
-     # Enthalpy of formation:           -1552.5        #kJ/mol        #05ROR/FUG
-     -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0
-
-Am(CO3)(OH):0.5H2O(cr)
-Am(CO3)(OH):0.5H2O     = - 1.000H+     + 1.000Am+3     + 1.000CO3-2     + 1.500H2O
-     log_k    -8.400     #03GUI/FAN
-     delta_h  -37.775    #kJ/mol        
-     # Enthalpy of formation:           -1682.9        #kJ/mol        #03GUI/FAN
-     -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0
-
-Am(CO3)2Na:5H2O(s)
-Am(CO3)2Na:5H2O     = 1.000Na+     + 1.000Am+3     + 2.000CO3-2     + 5.000H2O
-     log_k   -21.000     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
-
-Am(OH)3(am)
-Am(OH)3     = - 3.000H+     + 1.000Am+3     + 3.000H2O
-     log_k    16.900     #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0
-
-Am(OH)3(cr)
-Am(OH)3     = - 3.000H+     + 1.000Am+3     + 3.000H2O
-     log_k    15.600     #03GUI/FAN, 82SIL, 88STA/KIM1
-     delta_h -120.992    #kJ/mol        
-     # Enthalpy of formation:           -1353.2        #kJ/mol        
-     -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0
-
-Am(PO4):xH2O(am)
-Am(PO4)     = - 2.000H+     + 1.000Am+3     + 1.000H2(PO4)-
-     log_k    -5.230     #95SIL/BID
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0
+NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O
+      log_k 2.74
+      delta_h -82.812 #kJ/mol
+#     Enthalpy of formation: -3936.190 kJ/mol  99ARN/STE
+      -analytic -11.76804E+0 00E+0 43.25572E+2 00E+0 00E+0
+      -Vm 100.07
 
 Am(cr)
-Am     = 1.000Am+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   169.375     
-     delta_h -1036.345   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #95SIL/BID
-     -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0
+Am = Am+3 + 3 e-
+      log_k 104.89
+      delta_h -616.7 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  95SIL/BID
+      -analytic -31.51202E-1 00E+0 32.21248E+3 00E+0 00E+0
 
-Am2(CO3)3(cr)
-Am2(CO3)3     = 2.000Am+3     + 3.000CO3-2
-     log_k   -33.400     #95SIL/BID
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0
+Am(OH)3(am)
+Am(OH)3 = -3 H+ + Am+3 + 3 H2O
+      log_k 16.9 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
+      -analytic 16.9E+0 00E+0 00E+0 00E+0 00E+0
+
+Am(OH)3(cr)
+Am(OH)3 = -3 H+ + Am+3 + 3 H2O
+      log_k 15.6 #03GUI/FAN, 82SIL, 88STA/KIM1
+      delta_h -120.992 #kJ/mol
+#     Enthalpy of formation: -1353.198 kJ/mol
+      -analytic -55.96889E-1 00E+0 63.19852E+2 00E+0 00E+0
+
+Am(PO4):0.5H2O(am)
+Am(PO4):0.5H2O = -2 H+ + Am+3 + H2(PO4)- + 0.5 H2O
+      log_k -5.23 #95SIL/BID
+      -analytic -52.3E-1 00E+0 00E+0 00E+0 00E+0
+
+Am2(CO3)3(s)
+Am2(CO3)3 = 2 Am+3 + 3 CO3-2
+      log_k -33.4 #03GUI/FAN
+      -analytic -33.4E+0 00E+0 00E+0 00E+0 00E+0
 
 Am2O3(cr)
-Am2O3     = - 6.000H+     + 2.000Am+3     + 3.000H2O
-     log_k    53.150     
-     delta_h -400.490    #kJ/mol        
-     # Enthalpy of formation:           -1690.4        #kJ/mol        #95SIL/BID
-     -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0
+Am2O3 = -6 H+ + 2 Am+3 + 3 H2O
+      log_k 53.12
+      delta_h -400.49 #kJ/mol
+#     Enthalpy of formation: -1690.400 kJ/mol  95SIL/BID
+      -analytic -17.04284E+0 00E+0 20.91905E+3 00E+0 00E+0
 
 AmBr3(cr)
-AmBr3     = 1.000Am+3     + 3.000Br-
-     log_k    23.930     
-     delta_h -176.930    #kJ/mol        
-     # Enthalpy of formation:           -804        #kJ/mol        #03GUI/FAN
-     -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0
+AmBr3 = Am+3 + 3 Br-
+      log_k 23.93
+      delta_h -176.93 #kJ/mol
+#     Enthalpy of formation: -804.000  kJ/mol  03GUI/FAN
+      -analytic -70.66805E-1 00E+0 92.41698E+2 00E+0 00E+0
 
 AmCl3(cr)
-AmCl3     = 1.000Am+3     + 3.000Cl-
-     log_k    15.280     
-     delta_h -140.140    #kJ/mol        
-     # Enthalpy of formation:           -977.8        #kJ/mol        #95SIL/BID
-     -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0
+AmCl3 = Am+3 + 3 Cl-
+      log_k 15.29
+      delta_h -140.14 #kJ/mol
+#     Enthalpy of formation: -977.800  kJ/mol  95SIL/BID
+      -analytic -92.61474E-1 00E+0 73.20022E+2 00E+0 00E+0
 
 AmCl6Cs2Na(cr)
-AmCl6Cs2Na     = 1.000Na+     + 2.000Cs+     + 1.000Am+3     + 6.000Cl-
-     log_k    12.560     
-     delta_h  -59.720    #kJ/mol        
-     # Enthalpy of formation:           -2315.8        #kJ/mol        #03GUI/FAN
-     -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0
+AmCl6Cs2Na = Na+ + 2 Cs+ + Am+3 + 6 Cl-
+      log_k 12.56
+      delta_h -59.72 #kJ/mol
+#     Enthalpy of formation: -2315.800 kJ/mol  03GUI/FAN
+      -analytic 20.97505E-1 00E+0 31.19393E+2 00E+0 00E+0
 
-AmF3(cr)
-AmF3     = 1.000Am+3     + 3.000F-
-     log_k   -13.400     
-     delta_h  -28.750    #kJ/mol        
-     # Enthalpy of formation:           -1594        #kJ/mol        #03GUI/FAN
-     -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0
+AmCO3OH(cr)
+Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O
+      log_k -11.51
+      delta_h -25.26 #kJ/mol
+#     Enthalpy of formation: -1552.500 kJ/mol  05ROR/FUG
+      -analytic -15.93536E+0 00E+0 13.19422E+2 00E+0 00E+0
 
-AmI3(cr)
-AmI3     = 1.000Am+3     + 3.000I-
-     log_k    25.300     
-     delta_h -172.040    #kJ/mol        
-     # Enthalpy of formation:           -615        #kJ/mol        #03GUI/FAN
-     -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0
+AmCO3OH(s)
+Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O
+      log_k -6.2 #03GUI/FAN
+      -analytic -62E-1 00E+0 00E+0 00E+0 00E+0
 
-AmO2(cr)
-AmO2     = - 3.000H+     + 1.000Am+3     + 1.500H2O     + 0.250O2
-     log_k    12.715     
-     delta_h -116.279    #kJ/mol        
-     # Enthalpy of formation:           -932.2        #kJ/mol        #95SIL/BID
-     -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0
-
-AmO2OH(am)
-AmO2OH     = - 1.000H+     + 1.000AmO2+     + 1.000H2O
-     log_k     5.300     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
-
-AmOBr(cr)
-AmOBr     = - 2.000H+     + 1.000Am+3     + 1.000Br-     + 1.000H2O
-     log_k    15.980     
-     delta_h -136.940    #kJ/mol        
-     # Enthalpy of formation:           -887        #kJ/mol        #03GUI/FAN
-     -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0
-
-AmOCl(cr)
-AmOCl     = - 2.000H+     + 1.000Am+3     + 1.000Cl-     + 1.000H2O
-     log_k    12.260     
-     delta_h -119.810    #kJ/mol        
-     # Enthalpy of formation:           -949.8        #kJ/mol        #95SIL/BID
-     -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0
+AmCO3OH:0.5H2O(s)
+Am(CO3)(OH):0.5H2O = - H+ + Am+3 + CO3-2 + 1.5 H2O
+      log_k -8.4 #03GUI/FAN
+      delta_h -37.775 #kJ/mol
+#     Enthalpy of formation: -1682.900 kJ/mol  03GUI/FAN
+      -analytic -15.0179E+0 00E+0 19.73126E+2 00E+0 00E+0
 
 Amesite
-Mg4Al4Si2O10(OH)8     = 4.000Mg+2     + 4.000Al+3     - 20.000H+     + 2.000H4(SiO4)     + 10.000H2O
-     log_k    69.420     
-     delta_h -766.388    #kJ/mol        
-     # Enthalpy of formation:           -9035.9        #kJ/mol        #05VID/PAR
-     -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0
+Mg4Al4Si2O10(OH)8 = 4 Mg+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O
+      log_k 69.39
+      delta_h -766.388 #kJ/mol
+#     Enthalpy of formation: -9035.900 kJ/mol  05VID/PAR
+      -analytic -64.87541E+0 00E+0 40.03123E+3 00E+0 00E+0
+      -Vm 205.2
 
 Amesite-Fe
-Fe4Al4Si2O10(OH)8     = 4.000Fe+2     + 4.000Al+3     - 20.000H+     + 2.000H4(SiO4)     + 10.000H2O
-     log_k    57.040     
-     delta_h -686.828    #kJ/mol        
-     # Enthalpy of formation:           -7607.46        #kJ/mol        #05VID/PAR
-     -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0
+Fe4Al4Si2O10(OH)8 = 4 Fe+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O
+      log_k 57.1
+      delta_h -688.008 #kJ/mol
+#     Enthalpy of formation: -7607.460 kJ/mol  05VID/PAR
+      -analytic -63.43383E+0 00E+0 35.93716E+3 00E+0 00E+0
+      -Vm 209
+
+AmF3(cr)
+AmF3 = Am+3 + 3 F-
+      log_k -13.4
+      delta_h -28.75 #kJ/mol
+#     Enthalpy of formation: -1594.000 kJ/mol  03GUI/FAN
+      -analytic -18.43678E+0 00E+0 15.01717E+2 00E+0 00E+0
+
+AmI3(cr)
+AmI3 = Am+3 + 3 I-
+      log_k 25.3
+      delta_h -172.04 #kJ/mol
+#     Enthalpy of formation: -615.000  kJ/mol  03GUI/FAN
+      -analytic -48.40114E-1 00E+0 89.86275E+2 00E+0 00E+0
+
+AmO2(cr)
+AmO2 = -4 H+ + Am+3 - e- + 2 H2O
+      log_k 34.33
+      delta_h -256.16 #kJ/mol
+#     Enthalpy of formation: -932.200  kJ/mol  95SIL/BID
+      -analytic -10.54731E+0 00E+0 13.38017E+3 00E+0 00E+0
+
+AmO2OH(am)
+AmO2OH = - H+ + AmO2+ + H2O
+      log_k 5.3 #03GUI/FAN
+      -analytic 53E-1 00E+0 00E+0 00E+0 00E+0
+
+AmOBr(cr)
+AmOBr = -2 H+ + Am+3 + Br- + H2O
+      log_k 15.98
+      delta_h -136.94 #kJ/mol
+#     Enthalpy of formation: -887.000  kJ/mol  03GUI/FAN
+      -analytic -80.10858E-1 00E+0 71.52874E+2 00E+0 00E+0
+
+AmOCl(cr)
+AmOCl = -2 H+ + Am+3 + Cl- + H2O
+      log_k 12.26
+      delta_h -119.81 #kJ/mol
+#     Enthalpy of formation: -949.800  kJ/mol  95SIL/BID
+      -analytic -87.29811E-1 00E+0 62.58112E+2 00E+0 00E+0
 
 Analcime
-Na0.99Al0.99Si2.01O6:H2O     = 0.990Na+     + 0.990Al+3     - 3.960H+     + 2.010H4(SiO4)     - 1.040H2O
-     log_k     6.650     
-     delta_h -102.689    #kJ/mol        
-     # Enthalpy of formation:           -3308        #kJ/mol        #04NEU/HOV
-     -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0
+Na0.99Al0.99Si2.01O6:H2O = 0.99 Na+ + 0.99 Al+3 - 3.96 H+ + 2.01 H4(SiO4) - 1.04 H2O
+      log_k 6.64
+      delta_h -102.689 #kJ/mol
+#     Enthalpy of formation: -3308.000 kJ/mol  04NEU/HOV
+      -analytic -11.35034E+0 00E+0 53.6382E+2 00E+0 00E+0
+      -Vm 97.09
 
-Anapaite
-Ca2Fe(PO4)2:4H2O     = 2.000Ca+2     + 1.000Fe+2     - 4.000H+     + 2.000H2(PO4)-     + 4.000H2O
-     log_k     5.020     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0
+Andersonite
+Na2CaUO2(CO3)3:6H2O = Ca+2 + 2 Na+ + UO2+2 + 3 CO3-2 + 6 H2O
+      log_k -31.8 #19LEE/AMA
+      -analytic -31.8E+0 00E+0 00E+0 00E+0 00E+0
 
 Anglesite
-Pb(SO4)     = 1.000Pb+2     + 1.000SO4-2
-     log_k    -7.850     
-     delta_h  11.550     #kJ/mol        
-     # Enthalpy of formation:           -919.97        #kJ/mol        #89COX/WAG
-     -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0
+Pb(SO4) = Pb+2 + SO4-2
+      log_k -7.85
+      delta_h 11.55 #kJ/mol
+#     Enthalpy of formation: -919.970  kJ/mol  89COX/WAG
+      -analytic -58.26527E-1 00E+0 -60.32985E+1 00E+0 00E+0
 
 Anhydrite
-Ca(SO4)      = 1.000Ca+2     + 1.000SO4-2
-     log_k    -4.440     
-     delta_h  -17.940    #kJ/mol        
-     # Enthalpy of formation:           -1434.4        #kJ/mol        #95ROB/HEM
-     -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0
+Ca(SO4) = Ca+2 + SO4-2
+      log_k -4.44
+      delta_h -17.94 #kJ/mol
+#     Enthalpy of formation: -1434.400 kJ/mol  95ROB/HEM
+      -analytic -75.82953E-1 00E+0 93.70715E+1 00E+0 00E+0
+      -Vm 46.01
 
 Annite
-KFe3Si3AlO10(OH)2     = 1.000K+     + 3.000Fe+2     + 1.000Al+3     - 10.000H+     + 3.000H4(SiO4)
-     log_k    32.770     
-     delta_h -313.152    #kJ/mol        
-     # Enthalpy of formation:           -5130.97        #kJ/mol        #95DAC/BEN
-     -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0
+KFe3Si3AlO10(OH)2 = K+ + 3 Fe+2 + Al+3 - 10 H+ + 3 H4(SiO4)
+      log_k 32.82
+      delta_h -314.037 #kJ/mol
+#     Enthalpy of formation: -5130.970 kJ/mol  95DAC/BEN
+      -analytic -22.19692E+0 00E+0 16.40329E+3 00E+0 00E+0
+      -Vm 154.3
 
 Anorthite
-CaAl2Si2O8     = 1.000Ca+2     + 2.000Al+3     - 8.000H+     + 2.000H4(SiO4)
-     log_k    25.310     
-     delta_h -314.358    #kJ/mol        
-     # Enthalpy of formation:           -4227.83        #kJ/mol        #99ARN/STE
-     -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0
+CaAl2Si2O8 = Ca+2 + 2 Al+3 - 8 H+ + 2 H4(SiO4)
+      log_k 25.31
+      delta_h -314.358 #kJ/mol
+#     Enthalpy of formation: -4227.830 kJ/mol  99ARN/STE
+      -analytic -29.76316E+0 00E+0 16.42006E+3 00E+0 00E+0
 
 Antarcticite
-CaCl2:6H2O     = 1.000Ca+2     + 2.000Cl-     + 6.000H2O
-     log_k     3.940     
-     delta_h  13.990     #kJ/mol        
-     # Enthalpy of formation:           -2606.13        #kJ/mol        #87GAR/PAR
-     -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0
+CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O
+      log_k 3.94
+      delta_h 13.99 #kJ/mol
+#     Enthalpy of formation: -2606.130 kJ/mol  87GAR/PAR
+      -analytic 63.90943E-1 00E+0 -73.07486E+1 00E+0 00E+0
 
 Antigorite
-Mg48Si34O85(OH)62     = 48.000Mg+2     - 96.000H+     + 34.000H4(SiO4)     + 11.000H2O
-     log_k   500.160     
-     delta_h -3822.746   #kJ/mol        
-     # Enthalpy of formation:           -71417.98        #kJ/mol        #98HOL/POW
-     -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0
+Mg48Si34O85(OH)62 = 48 Mg+2 - 96 H+ + 34 H4(SiO4) + 11 H2O
+      log_k 499.89
+      delta_h -3822.746 #kJ/mol
+#     Enthalpy of formation: -71417.980kJ/mol  98HOL/POW
+      -analytic -16.98264E+1 00E+0 19.96759E+4 00E+0 00E+0
+      -Vm 1754.8
+
+Antlerite
+Cu3SO4(OH)4 = 3 Cu+2 - 4 H+ + SO4-2 + 4 H2O
+      log_k 8.91
+      delta_h -117.063 #kJ/mol
+#     Enthalpy of formation: -1740.896 kJ/mol
+      -analytic -11.59856E+0 00E+0 61.14626E+2 00E+0 00E+0
 
 Aragonite
-CaCO3      = 1.000Ca+2     + 1.000CO3-2
-     log_k    -8.310     
-     delta_h  -10.454    #kJ/mol        
-     # Enthalpy of formation:           -1207.776        #kJ/mol        #87GAR/PAR
-     -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0
+CaCO3 = Ca+2 + CO3-2
+      log_k -8.31
+      delta_h -10.454 #kJ/mol
+#     Enthalpy of formation: -1207.776 kJ/mol  87GAR/PAR
+      -analytic -10.14146E+0 00E+0 54.60504E+1 00E+0 00E+0
+      -Vm 34.15
 
 Arcanite
-K2SO4      = 2.000K+     + 1.000SO4-2
-     log_k    -1.850     
-     delta_h  24.080     #kJ/mol        
-     # Enthalpy of formation:           -1437.7        #kJ/mol        #95ROB/HEM
-     -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0
+K2SO4 = 2 K+ + SO4-2
+      log_k -1.85
+      delta_h 24.08 #kJ/mol
+#     Enthalpy of formation: -1437.700 kJ/mol  95ROB/HEM
+      -analytic 23.68635E-1 00E+0 -12.57786E+2 00E+0 00E+0
+      -Vm 65.5
 
 Artinite
-Mg2(CO3)(OH)2:3H2O     = 2.000Mg+2     - 2.000H+     + 1.000CO3-2     + 5.000H2O
-     log_k     9.810     
-     delta_h -117.780    #kJ/mol        
-     # Enthalpy of formation:           -2920.6        #kJ/mol        #73HEM/ROB
-     -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0
+Mg2(CO3)(OH)2:3H2O = 2 Mg+2 - 2 H+ + CO3-2 + 5 H2O
+      log_k 9.81
+      delta_h -117.78 #kJ/mol
+#     Enthalpy of formation: -2920.600 kJ/mol  73HEM/ROB
+      -analytic -10.82417E+0 00E+0 61.52078E+2 00E+0 00E+0
 
-As(s)
-As     = 3.000H+     + 1.000AsO4-3     - 1.500H2O     - 1.250O2
-     log_k    54.885     
-     delta_h -444.228    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #09RAN/FUG
-     -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0
+As(cr)
+As = 8 H+ + 5 e- + AsO4-3 - 4 H2O
+      log_k -52.59
+      delta_h 255.18 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  09RAN/FUG
+      -analytic -78.84383E-1 00E+0 -13.32898E+3 00E+0 00E+0
 
 As2O5(s)
-As2O5     = 6.000H+     + 2.000AsO4-3     - 3.000H2O
-     log_k   -35.340     
-     delta_h  10.640     #kJ/mol        
-     # Enthalpy of formation:           -929.43        #kJ/mol        #65BEE/MOR
-     -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0
+As2O5 = 6 H+ + 2 AsO4-3 - 3 H2O
+      log_k -35.34
+      delta_h 10.64 #kJ/mol
+#     Enthalpy of formation: -929.430  kJ/mol  65BEE/MOR
+      -analytic -33.47595E+0 00E+0 -55.57659E+1 00E+0 00E+0
 
-B(OH)3(cr)
-B(OH)3     = 1.000H+     + 1.000B(OH)4-     - 1.000H2O
-     log_k    -9.310     
-     delta_h  35.514     #kJ/mol        
-     # Enthalpy of formation:           -1094.8        #kJ/mol        #01LEM/FUG
-     -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0
+Azurite
+Cu3(CO3)2(OH)2 = 3 Cu+2 - 2 H+ + 2 CO3-2 + 2 H2O
+      log_k -16.91 #91BAL/NOR in 07POW/BRO
+      delta_h -55.087 #kJ/mol
+#     Enthalpy of formation: -1672.333 kJ/mol
+      -analytic -26.56083E+0 00E+0 28.77394E+2 00E+0 00E+0
 
 B(cr)
-B     = 1.000H+     + 1.000B(OH)4-     - 2.500H2O     - 0.750O2
-     log_k   100.415     
-     delta_h -621.441    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0
+B = 4 H+ + 3 e- + B(OH)4- - 4 H2O
+      log_k 35.93
+      delta_h -201.796 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic 57.68584E-2 00E+0 10.54054E+3 00E+0 00E+0
+
+B(OH)3(cr)
+B(OH)3 = H+ + B(OH)4- - H2O
+      log_k -9.31
+      delta_h 35.514 #kJ/mol
+#     Enthalpy of formation: -1094.800 kJ/mol  01LEM/FUG
+      -analytic -30.88214E-1 00E+0 -18.55025E+2 00E+0 00E+0
 
 B2O3(am)
-B2O3     = 2.000H+     + 2.000B(OH)4-     - 5.000H2O
-     log_k   -10.630     
-     delta_h  -6.711     #kJ/mol        
-     # Enthalpy of formation:           -1254.371        #kJ/mol        
-     -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0
+B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O
+      log_k -10.63
+      delta_h -6.712 #kJ/mol
+#     Enthalpy of formation: -1254.371 kJ/mol
+      -analytic -11.80589E+0 00E+0 35.05922E+1 00E+0 00E+0
 
 B2O3(cr)
-B2O3     = 2.000H+     + 2.000B(OH)4-     - 5.000H2O
-     log_k   -12.740     
-     delta_h  12.418     #kJ/mol        
-     # Enthalpy of formation:           -1273.5        #kJ/mol        #01LEM/FUG
-     -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0
-
-Ba(OH)2:8H2O(cr)
-Ba(OH)2:8H2O     = 1.000Ba+2     - 2.000H+     + 10.000H2O
-     log_k    23.870     
-     delta_h  -52.509    #kJ/mol        
-     # Enthalpy of formation:           -3340.591        #kJ/mol        
-     -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0
-
-Ba(SeO3)(s)
-Ba(SeO3)     = 1.000Ba+2     + 1.000SeO3-2
-     log_k    -6.500     #05OLI/NOL
-     delta_h  -5.260     #kJ/mol        
-     # Enthalpy of formation:           -1036.7        #kJ/mol        #05OLI/NOL
-     -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0
-
-Ba(SeO4)(cr)
-Ba(SeO4)     = 1.000Ba+2     + 1.000SeO4-2
-     log_k    -7.560     #05OLI/NOL
-     delta_h   5.700     #kJ/mol        
-     # Enthalpy of formation:           -1144        #kJ/mol        #05OLI/NOL
-     -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0
+B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O
+      log_k -12.74
+      delta_h 12.418 #kJ/mol
+#     Enthalpy of formation: -1273.500 kJ/mol  01LEM/FUG
+      -analytic -10.56446E+0 00E+0 -64.86373E+1 00E+0 00E+0
 
 Ba(cr)
-Ba     = 1.000Ba+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k   140.690     
-     delta_h -814.563    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0
+Ba = Ba+2 + 2 e-
+      log_k 97.7
+      delta_h -534.8 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic 40.07062E-1 00E+0 27.93455E+3 00E+0 00E+0
+
+Ba(OH)2:8H2O(cr)
+Ba(OH)2:8H2O = Ba+2 - 2 H+ + 10 H2O
+      log_k 23.87
+      delta_h -52.506 #kJ/mol
+#     Enthalpy of formation: -3340.591 kJ/mol
+      -analytic 14.67134E+0 00E+0 27.42579E+2 00E+0 00E+0
+
+Ba(SeO3)(s)
+Ba(SeO3) = Ba+2 + SeO3-2
+      log_k -6.5 #05OLI/NOL
+      delta_h -5.26 #kJ/mol
+#     Enthalpy of formation: -1036.700 kJ/mol  05OLI/NOL
+      -analytic -74.21512E-1 00E+0 27.47489E+1 00E+0 00E+0
+
+Ba(SeO4)(cr)
+Ba(SeO4) = Ba+2 + SeO4-2
+      log_k -7.56 #05OLI/NOL
+      delta_h 5.7 #kJ/mol
+#     Enthalpy of formation: -1144.000 kJ/mol  05OLI/NOL
+      -analytic -65.61403E-1 00E+0 -29.77317E+1 00E+0 00E+0
 
 BaCl2(cr)
-BaCl2     = 1.000Ba+2     + 2.000Cl-
-     log_k     2.300     
-     delta_h  -13.760    #kJ/mol        
-     # Enthalpy of formation:           -855.2        #kJ/mol        #95SIL/BID
-     -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0
+BaCl2 = Ba+2 + 2 Cl-
+      log_k 2.3
+      delta_h -13.76 #kJ/mol
+#     Enthalpy of formation: -855.200  kJ/mol  95SIL/BID
+      -analytic -11.06485E-2 00E+0 71.87349E+1 00E+0 00E+0
 
 BaCl2:2H2O(s)
-BaCl2:2H2O     = 1.000Ba+2     + 2.000Cl-     + 2.000H2O
-     log_k    -0.340     
-     delta_h  19.418     #kJ/mol        
-     # Enthalpy of formation:           -1460.038        #kJ/mol        
-     -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0
+BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O
+      log_k -0.34
+      delta_h 19.42 #kJ/mol
+#     Enthalpy of formation: -1460.038 kJ/mol
+      -analytic 30.62238E-1 00E+0 -10.14377E+2 00E+0 00E+0
 
 BaCl2:H2O(s)
-BaCl2:H2O     = 1.000Ba+2     + 2.000Cl-     + 1.000H2O
-     log_k     0.280     
-     delta_h   5.746     #kJ/mol        
-     # Enthalpy of formation:           -1160.536        #kJ/mol        
-     -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0
+BaCl2:H2O = Ba+2 + 2 Cl- + H2O
+      log_k 0.28
+      delta_h 5.747 #kJ/mol
+#     Enthalpy of formation: -1160.536 kJ/mol
+      -analytic 12.86831E-1 00E+0 -30.01867E+1 00E+0 00E+0
 
 BaF2(cr)
-BaF2     = 1.000Ba+2     + 2.000F-
-     log_k    -6.320     
-     delta_h   1.631     #kJ/mol        
-     # Enthalpy of formation:           -1207.131        #kJ/mol        
-     -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0
+BaF2 = Ba+2 + 2 F-
+      log_k -6.32
+      delta_h 1.644 #kJ/mol
+#     Enthalpy of formation: -1207.143 kJ/mol
+      -analytic -60.31984E-1 00E+0 -85.8721E+0 00E+0 00E+0
 
 BaHPO4(s)
-BaHPO4     = 1.000Ba+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k    -0.190     #66SPI/MIK in 76SMI/MAR
-     delta_h  -22.800    #kJ/mol        
-     # Enthalpy of formation:           -1814.6        #kJ/mol        #82WAG/EVA
-     -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0
+BaHPO4 = Ba+2 - H+ + H2(PO4)-
+      log_k -0.19 #66SPI/MIK in 76SMI/MAR
+      delta_h -22.8 #kJ/mol
+#     Enthalpy of formation: -1814.600 kJ/mol  82WAG/EVA
+      -analytic -41.84389E-1 00E+0 11.90927E+2 00E+0 00E+0
 
 BaMoO4(s)
-BaMoO4     = 1.000Ba+2     + 1.000MoO4-2
-     log_k    -7.830     
-     delta_h  13.822     #kJ/mol        
-     # Enthalpy of formation:           -1545.622        #kJ/mol        
-     -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0
+BaMoO4 = Ba+2 + MoO4-2
+      log_k -7.83
+      delta_h 13.779 #kJ/mol
+#     Enthalpy of formation: -1545.578 kJ/mol
+      -analytic -54.16023E-1 00E+0 -71.97273E+1 00E+0 00E+0
 
 BaO(cr)
-BaO     = 1.000Ba+2     - 2.000H+     + 1.000H2O
-     log_k    48.070     
-     delta_h -272.530    #kJ/mol        
-     # Enthalpy of formation:           -548.1        #kJ/mol        #95SIL/BID
-     -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0
-
-BaS(s)
-BaS     = 1.000Ba+2     - 1.000H+     + 1.000HS-
-     log_k    15.660     
-     delta_h  -90.248    #kJ/mol        
-     # Enthalpy of formation:           -460.852        #kJ/mol        
-     -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0
+BaO = Ba+2 - 2 H+ + H2O
+      log_k 48.07
+      delta_h -272.53 #kJ/mol
+#     Enthalpy of formation: -548.100  kJ/mol  95SIL/BID
+      -analytic 32.47935E-2 00E+0 14.23523E+3 00E+0 00E+0
 
 Barite
-Ba(SO4)     = 1.000Ba+2     + 1.000SO4-2
-     log_k    -9.970     #85LAN/MEL in 90NOR/PLU
-     delta_h  26.460     #kJ/mol        #85LAN/MEL in 90NOR/PLU
-     # Enthalpy of formation:           -1470.6        #kJ/mol        
-     -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0
+Ba(SO4) = Ba+2 + SO4-2
+      log_k -9.97 #85LAN/MEL in 90NOR/PLU; Uncertainty to include available data.
+      delta_h 26.46 #kJ/mol 85LAN/MEL in 90NOR/PLU
+#     Enthalpy of formation: -1470.600 kJ/mol
+      -analytic -53.34407E-1 00E+0 -13.82102E+2 00E+0 00E+0
+      -Vm 52.1
+
+BaS(s)
+BaS = Ba+2 - H+ + HS-
+      log_k 15.66
+      delta_h -90.248 #kJ/mol
+#     Enthalpy of formation: -460.852  kJ/mol
+      -analytic -15.07709E-2 00E+0 47.13981E+2 00E+0 00E+0
 
 Bassanite
-CaSO4:0.5H2O     = 1.000Ca+2     + 1.000SO4-2     + 0.500H2O
-     log_k    -3.920     #06BLA/PIA
-     delta_h  -17.358    #kJ/mol        
-     # Enthalpy of formation:           -1577.897        #kJ/mol        
-     -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0
+CaSO4:0.5H2O = Ca+2 + SO4-2 + 0.5 H2O
+      log_k -3.92 #06BLA/PIA
+      delta_h -17.358 #kJ/mol
+#     Enthalpy of formation: -1577.897 kJ/mol
+      -analytic -69.60991E-1 00E+0 90.66715E+1 00E+0 00E+0
 
 Bassetite
-Fe(UO2)2(PO4)2     = 1.000Fe+2     + 2.000UO2+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    -1.070     #65MUT/HIR
-     delta_h  -36.464    #kJ/mol        
-     # Enthalpy of formation:           -8996.928        #kJ/mol        
-     -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0
+Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 - 4 H+ + 2 H2(PO4)-
+      log_k -1.07 #65MUT/HIR
+      delta_h -36.645 #kJ/mol
+#     Enthalpy of formation: -4696.849 kJ/mol
+      -analytic -74.89928E-1 00E+0 19.14102E+2 00E+0 00E+0
+
+Be(cr)
+Be = 2 e- + Be+2
+      log_k 66.62
+      delta_h -382.8 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -44.36812E-2 00E+0 19.99504E+3 00E+0 00E+0
+
+Be(OH)2(alpha,cr)
+Be(OH)2 = -2 H+ + 2 H2O + Be+2
+      log_k 6.9 #20ÇEV/GAO
+      delta_h -51.812 #kJ/mol
+#     Enthalpy of formation: -902.647  kJ/mol
+      -analytic -21.77073E-1 00E+0 27.06329E+2 00E+0 00E+0
+
+Be(OH)2(beta,cr)
+Be(OH)2 = -2 H+ + 2 H2O + Be+2
+      log_k 5.9 #87BRU/GRE
+      delta_h -45.603 #kJ/mol
+#     Enthalpy of formation: -908.856  kJ/mol
+      -analytic -20.89303E-1 00E+0 23.82011E+2 00E+0 00E+0
+
+BeCl2(alpha,cr)
+BeCl2 = 2 Cl- + Be+2
+      log_k 34.42
+      delta_h -226.03 #kJ/mol
+#     Enthalpy of formation: -490.930  kJ/mol  98CHA
+      -analytic -51.78756E-1 00E+0 11.80637E+3 00E+0 00E+0
+
+BeCl2(beta,cr)
+BeCl2 = 2 Cl- + Be+2
+      log_k 33.85
+      delta_h -220.738 #kJ/mol
+#     Enthalpy of formation: -496.222  kJ/mol  98CHA
+      -analytic -48.21638E-1 00E+0 11.52995E+3 00E+0 00E+0
 
 Becquerelite(nat)
-Ca(UO2)6O4(OH)6:8H2O     = 1.000Ca+2     + 6.000UO2+2     - 14.000H+     + 18.000H2O
-     log_k    29.000     #97CAS/BRU
-     delta_h -378.310    #kJ/mol        
-     # Enthalpy of formation:           -11423.63        #kJ/mol        #99CHE/EWI
-     -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0
+Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O
+      log_k 29 #97CAS/BRU
+      delta_h -378.31 #kJ/mol
+#     Enthalpy of formation: -11423.630kJ/mol  99CHE/EWI
+      -analytic -37.27707E+0 00E+0 19.76051E+3 00E+0 00E+0
 
 Becquerelite(syn)
-Ca(UO2)6O4(OH)6:8H2O     = 1.000Ca+2     + 6.000UO2+2     - 14.000H+     + 18.000H2O
-     log_k    40.500     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0
+Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O
+      log_k 40.5 #03GUI/FAN
+      -analytic 40.5E+0 00E+0 00E+0 00E+0 00E+0
 
-Beidellite-Ca
-Ca0.17Al2.34Si3.66O10(OH)2     = 0.170Ca+2     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k     5.770     
-     delta_h -207.635    #kJ/mol        
-     # Enthalpy of formation:           -5737.91        #kJ/mol        #15BLA/VIE
-     -analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0
-
-Beidellite-K
-K0.34Al2.34Si3.66O10(OH)2     = 0.340K+     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k     4.600     
-     delta_h -189.102    #kJ/mol        
-     # Enthalpy of formation:           -5749.86        #kJ/mol        #15BLA/VIE
-     -analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0
-
-Beidellite-Mg
-Mg0.17Al2.34Si3.66O10(OH)2     = 0.170Mg+2     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k     5.230     
-     delta_h -208.815    #kJ/mol        
-     # Enthalpy of formation:           -5723.81        #kJ/mol        #15BLA/VIE
-     -analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0
-
-Beidellite-Na
-Na0.34Al2.34Si3.66O10(OH)2     = 0.340Na+     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k     5.100     
-     delta_h -197.720    #kJ/mol        
-     # Enthalpy of formation:           -5737.23        #kJ/mol        #15BLA/VIE
-     -analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0
+BeF2(alfa,cr)
+BeF2 = 2 F- + Be+2
+      log_k -6.32
+      delta_h -26.746 #kJ/mol
+#     Enthalpy of formation: -1026.754 kJ/mol  98CHA
+      -analytic -11.0057E+0 00E+0 13.97041E+2 00E+0 00E+0
 
 Beidellite_SBld-1
-Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2     = 0.185Ca+2     + 0.090Mg+2     + 0.104K+     + 0.112Fe+3     + 2.238Al+3     - 7.704H+     + 3.574H4(SiO4)     - 2.296H2O
-     log_k     7.590     
-     delta_h -224.486    #kJ/mol        
-     # Enthalpy of formation:           -5720.69        #kJ/mol        #12GAI/BLA
-     -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0
+Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.09Fe0.112)O10(OH)2 = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) - 2.296 H2O
+      log_k 7.58
+      delta_h -224.605 #kJ/mol
+#     Enthalpy of formation: -5720.690 kJ/mol  12GAI/BLA
+      -analytic -31.76911E+0 00E+0 11.73194E+3 00E+0 00E+0
+      -Vm 137.98
 
 Beidellite_SBld-1(4.576H2O)
-Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O     = 0.185Ca+2     + 0.090Mg+2     + 0.104K+     + 0.112Fe+3     + 2.238Al+3     - 7.704H+     + 3.574H4(SiO4)     + 2.280H2O
-     log_k     4.290     
-     delta_h -193.685    #kJ/mol        
-     # Enthalpy of formation:           -7059.45        #kJ/mol        #12GAI/BLA
-     -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0
+Ca0.185K0.104Si3.574Al2.238Mg0.09Fe0.112O10(OH)2:4.576H2O = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) + 2.28 H2O
+      log_k 4.26
+      delta_h -193.803 #kJ/mol
+#     Enthalpy of formation: -7059.450 kJ/mol  12GAI/BLA
+      -analytic -29.69283E+0 00E+0 10.12304E+3 00E+0 00E+0
+      -Vm 220.67
+
+Beidellite-Ca
+Ca0.17Al2.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 5.77
+      delta_h -207.635 #kJ/mol
+#     Enthalpy of formation: -5737.910 kJ/mol  15BLA/VIE
+      -analytic -30.60609E+0 00E+0 10.84553E+3 00E+0 00E+0
+      -Vm 134.1
+
+Beidellite-K
+K0.34Al2.34Si3.66O10(OH)2 = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 4.6
+      delta_h -189.102 #kJ/mol
+#     Enthalpy of formation: -5749.860 kJ/mol  15BLA/VIE
+      -analytic -28.52925E+0 00E+0 98.77485E+2 00E+0 00E+0
+      -Vm 133.22
+
+Beidellite-Mg
+Mg0.17Al2.34Si3.66O10(OH)2 = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 5.23
+      delta_h -208.815 #kJ/mol
+#     Enthalpy of formation: -5723.810 kJ/mol  15BLA/VIE
+      -analytic -31.35282E+0 00E+0 10.90717E+3 00E+0 00E+0
+      -Vm 130.11
+
+Beidellite-Na
+Na0.34Al2.34Si3.66O10(OH)2 = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 5.1
+      delta_h -197.72 #kJ/mol
+#     Enthalpy of formation: -5737.230 kJ/mol  15BLA/VIE
+      -analytic -29.53906E+0 00E+0 10.32763E+3 00E+0 00E+0
+      -Vm 132.49
+
+BeO(cr)
+BeO = -2 H+ + H2O + Be+2
+      log_k 6.72
+      delta_h -60.276 #kJ/mol
+#     Enthalpy of formation: -608.354  kJ/mol  98CHA
+      -analytic -38.39902E-1 00E+0 31.48435E+2 00E+0 00E+0
 
 Berlinite
-Al(PO4)     = 1.000Al+3     - 2.000H+     + 1.000H2(PO4)-
-     log_k    -0.570     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0
+Al(PO4) = Al+3 - 2 H+ + H2(PO4)-
+      log_k -0.57 #96FAL/REA
+      -analytic -57E-2 00E+0 00E+0 00E+0 00E+0
 
 Berndtite
-SnS2     = 1.000Sn+4     - 2.000H+     + 2.000HS-
-     log_k   -37.560     
-     delta_h  87.401     #kJ/mol        
-     # Enthalpy of formation:           -151.5        #kJ/mol        #12GAM/GAJ
-     -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0
+SnS2 = Sn+4 - 2 H+ + 2 HS-
+      log_k -37.56
+      delta_h 87.389 #kJ/mol
+#     Enthalpy of formation: -151.500  kJ/mol  12GAM/GAJ
+      -analytic -22.2501E+0 00E+0 -45.64645E+2 00E+0 00E+0
 
 Berthierine(FeII)
-(Fe2Al)(SiAl)O5(OH)4     = 2.000Al+3     + 1.000H4(SiO4)     + 2.000Fe+2     + 5.000H2O     - 10.000H+
-     log_k    34.560     
-     delta_h -376.684    #kJ/mol        
-     # Enthalpy of formation:           -3770.46        #kJ/mol        #15BLA/VIE
-     -analytic -3.14321E+1 0E+0 1.96755E+4 0E+0 0E+0
+(Fe2Al)(SiAl)O5(OH)4 = 2 Fe+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 5 H2O
+      log_k 34.61
+      delta_h -377.274 #kJ/mol
+#     Enthalpy of formation: -3770.460 kJ/mol  15BLA/VIE
+      -analytic -31.48557E+0 00E+0 19.70639E+3 00E+0 00E+0
+      -Vm 103.86
 
 Berthierine(FeIII)
-(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4     = 0.330Fe+3     + 2.340Fe+2     + 0.990Al+3     - 8.640H+     + 1.340H4(SiO4)     + 3.640H2O
-     log_k    28.800     
-     delta_h -300.177    #kJ/mol        
-     # Enthalpy of formation:           -3458.03        #kJ/mol        #15BLA/VIE
-     -analytic -2.37887E+1 0E+0 1.56793E+4 0E+0 0E+0
+(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.33 Fe+3 + 2.34 Fe+2 + 0.99 Al+3 - 8.64 H+ + 1.34 H4(SiO4) + 3.64 H2O
+      log_k 28.85
+      delta_h -301.216 #kJ/mol
+#     Enthalpy of formation: -3458.030 kJ/mol  15BLA/VIE
+      -analytic -23.92078E+0 00E+0 15.73361E+3 00E+0 00E+0
+      -Vm 103.27
 
 Berthierine_ISGS
-(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4     = 0.157Mg+2     + 0.182Fe+3     + 1.644Al+3     + 1.332H4(SiO4)     + 1.440Fe+2     + 3.672H2O     - 8.672H+
-     log_k    27.930     
-     delta_h -318.385    #kJ/mol        
-     # Enthalpy of formation:           -3774.46        #kJ/mol        #13BLA/GAI2
-     -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0
+(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157 Mg+2 + 0.182 Fe+3 + 1.44 Fe+2 + 1.644 Al+3 - 8.672 H+ + 1.332 H4(SiO4) + 3.672 H2O
+      log_k 27.94
+      delta_h -319.002 #kJ/mol
+#     Enthalpy of formation: -3774.460 kJ/mol  13BLA/GAI2
+      -analytic -27.94675E+0 00E+0 16.66263E+3 00E+0 00E+0
+      -Vm 101.16
 
 Berthierine_Lorraine
-Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4     = 0.370Mg+2     + 0.936Fe+3     + 0.608Fe+2     + 1.052Al+3     - 7.920H+     + 1.520H4(SiO4)     + 2.920H2O
-     log_k     1.030     
-     delta_h -162.510    #kJ/mol        
-     # Enthalpy of formation:           -3732.9        #kJ/mol        #08GAI
-     -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0
+Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.37 Mg+2 + 0.936 Fe+3 + 0.608 Fe+2 + 1.052 Al+3 - 7.92 H+ + 1.52 H4(SiO4) + 2.92 H2O
+      log_k 1.01
+      delta_h -163.677 #kJ/mol
+#     Enthalpy of formation: -3732.900 kJ/mol  08GAI
+      -analytic -27.66498E+0 00E+0 85.49445E+2 00E+0 00E+0
+      -Vm 103.8
+
+BeSO4(alfa,cr)
+BeSO4 = SO4-2 + Be+2
+      log_k 6.12
+      delta_h -91.34 #kJ/mol
+#     Enthalpy of formation: -1200.800 kJ/mol  98CHA
+      -analytic -98.82081E-1 00E+0 47.7102E+2 00E+0 00E+0
 
 Bieberite
-CoSO4:7H2O     = 1.000Co+2     + 1.000SO4-2     + 7.000H2O
-     log_k    -2.350     
-     delta_h  11.840     #kJ/mol        
-     # Enthalpy of formation:           -2979.59        #kJ/mol        #74NAU/RYZ
-     -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0
+CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
+      log_k -2.35
+      delta_h 11.84 #kJ/mol
+#     Enthalpy of formation: -2979.590 kJ/mol  74NAU/RYZ
+      -analytic -27.5721E-2 00E+0 -61.84463E+1 00E+0 00E+0
 
 Bischofite
-MgCl2:6H2O     = 1.000Mg+2     + 2.000Cl-     + 6.000H2O
-     log_k     4.460     #84HAR/MOL
-     delta_h  -8.710     #kJ/mol        
-     # Enthalpy of formation:           -2507.43        #kJ/mol        
-     -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0
+MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O
+      log_k 4.46 #84HAR/MOL
+      delta_h -8.71 #kJ/mol
+#     Enthalpy of formation: -2507.430 kJ/mol  84HAR/MOL
+      -analytic 29.34074E-1 00E+0 45.4955E+1 00E+0 00E+0
 
 Bloedite
-Na2Mg(SO4)2:4H2O     = 1.000Mg+2     + 2.000Na+     + 2.000SO4-2     + 4.000H2O
-     log_k    -2.350     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0
+Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
+      log_k -2.35 #84HAR/MOL
+      -analytic -23.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Boehmite
-AlO(OH)     = 1.000Al+3     - 3.000H+     + 2.000H2O
-     log_k     7.620     
-     delta_h -113.660    #kJ/mol        
-     # Enthalpy of formation:           -996.4        #kJ/mol        #95ROB/HEM
-     -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0
+AlO(OH) = Al+3 - 3 H+ + 2 H2O
+      log_k 7.62
+      delta_h -113.66 #kJ/mol
+#     Enthalpy of formation: -996.400  kJ/mol  95ROB/HEM
+      -analytic -12.29238E+0 00E+0 59.36875E+2 00E+0 00E+0
+
+Br2(l)
+Br2 = -2 e- + 2 Br-
+      log_k -36.39
+      delta_h 242.82 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 61.50238E-1 00E+0 -12.68337E+3 00E+0 00E+0
+
+Brochantite
+Cu4SO4(OH)6 = 4 Cu+2 - 6 H+ + SO4-2 + 6 H2O
+      log_k 15.54
+      delta_h -176.191 #kJ/mol
+#     Enthalpy of formation: -2188.527 kJ/mol
+      -analytic -15.32734E+0 00E+0 92.03097E+2 00E+0 00E+0
 
 Brucite
-Mg(OH)2     = 1.000Mg+2     - 2.000H+     + 2.000H2O
-     log_k    17.100     #03ALT/MET
-     delta_h -114.160    #kJ/mol        
-     # Enthalpy of formation:           -924.5        #kJ/mol        #95ROB/HEM
-     -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0
+Mg(OH)2 = Mg+2 - 2 H+ + 2 H2O
+      log_k 17.1 #03ALT/MET
+      delta_h -114.16 #kJ/mol
+#     Enthalpy of formation: -924.500  kJ/mol  95ROB/HEM
+      -analytic -28.99973E-1 00E+0 59.62992E+2 00E+0 00E+0
+      -Vm 24.63
 
 Brushite
-Ca(HPO4):2H2O     = 1.000Ca+2     - 1.000H+     + 1.000H2(PO4)-     + 2.000H2O
-     log_k     0.600     #84NAN
-     delta_h  -7.375     #kJ/mol        
-     # Enthalpy of formation:           -2409.885        #kJ/mol        
-     -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0
+Ca(HPO4):2H2O = Ca+2 - H+ + H2(PO4)- + 2 H2O
+      log_k 0.6 #84NAN
+      delta_h -7.375 #kJ/mol
+#     Enthalpy of formation: -2409.884 kJ/mol
+      -analytic -69.20445E-2 00E+0 38.52231E+1 00E+0 00E+0
 
 Bunsenite
-NiO      = 1.000Ni+2     - 2.000H+     + 1.000H2O
-     log_k    12.480     
-     delta_h -101.142    #kJ/mol        
-     # Enthalpy of formation:           -239.7        #kJ/mol        #05GAM/BUG
-     -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0
+NiO = Ni+2 - 2 H+ + H2O
+      log_k 12.48
+      delta_h -101.142 #kJ/mol
+#     Enthalpy of formation: -239.700  kJ/mol  05GAM/BUG
+      -analytic -52.39318E-1 00E+0 52.83015E+2 00E+0 00E+0
 
 Burkeite
-Na6(CO3)(SO4)2     = 6.000Na+     + 1.000CO3-2     + 2.000SO4-2
-     log_k    -0.770     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0
+Na6(CO3)(SO4)2 = 6 Na+ + CO3-2 + 2 SO4-2
+      log_k -0.77 #84HAR/MOL
+      -analytic -77E-2 00E+0 00E+0 00E+0 00E+0
 
 C(cr)
-C     = 2.000H+     + 1.000CO3-2     - 1.000H2O     - 1.000O2
-     log_k    53.830     
-     delta_h -377.266    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0
+C = 6 H+ + 4 e- + CO3-2 - 3 H2O
+      log_k -32.15
+      delta_h 182.26 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -21.94186E-2 00E+0 -95.20103E+2 00E+0 00E+0
 
 C2SH(alpha)
-Ca2(HSiO4)(OH)     = 2.000Ca+2     - 4.000H+     + 1.000H4(SiO4)     + 1.000H2O
-     log_k    35.540     
-     delta_h -198.104    #kJ/mol        
-     # Enthalpy of formation:           -2634.92        #kJ/mol        #10BLA/BOU1
-     -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0
+Ca2(HSiO4)(OH) = 2 Ca+2 - 4 H+ + H4(SiO4) + H2O
+      log_k 35.54
+      delta_h -198.104 #kJ/mol
+#     Enthalpy of formation: -2634.920 kJ/mol  10BLA/BOU1
+      -analytic 83.3669E-2 00E+0 10.34769E+3 00E+0 00E+0
+      -Vm 71.12
 
 C3AH6
-Ca3Al2(OH)12     = 3.000Ca+2     + 2.000Al+3     - 12.000H+     + 12.000H2O
-     log_k    80.320     #10BLA/BOU2
-     delta_h -584.260    #kJ/mol        
-     # Enthalpy of formation:           -5551.5        #kJ/mol        #99SCH/NAV
-     -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0
+Ca3Al2(OH)12 = 3 Ca+2 + 2 Al+3 - 12 H+ + 12 H2O
+      log_k 80.32 #10BLA/BOU2
+      delta_h -584.26 #kJ/mol
+#     Enthalpy of formation: -5551.500 kJ/mol  99SCH/NAV
+      -analytic -22.03796E+0 00E+0 30.51803E+3 00E+0 00E+0
+      -Vm 149.52
 
 C3FH6
-Ca3Fe2(OH)12     = 3.000Ca+2     + 2.000Fe+3     - 12.000H+     + 12.000H2O
-     log_k    72.390     
-     delta_h -509.370    #kJ/mol        
-     # Enthalpy of formation:           -4647.59        #kJ/mol        #10BLA/BOU2
-     -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0
+Ca3Fe2(OH)12 = 3 Ca+2 + 2 Fe+3 - 12 H+ + 12 H2O
+      log_k 72.33
+      delta_h -511.482 #kJ/mol
+#     Enthalpy of formation: -4647.590 kJ/mol  10BLA/BOU2
+      -analytic -17.2778E+0 00E+0 26.71657E+3 00E+0 00E+0
+      -Vm 154.5
 
 C4AH13
-Ca4Al2(OH)14:6H2O     = 4.000Ca+2     + 2.000Al+3     - 14.000H+     + 20.000H2O
-     log_k   103.650     #10BLA/BOU2
-     delta_h -647.400    #kJ/mol        
-     # Enthalpy of formation:           -8318        #kJ/mol        #76HOU/STE
-     -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0
+Ca4Al2(OH)14:6H2O = 4 Ca+2 + 2 Al+3 - 14 H+ + 20 H2O
+      log_k 103.65 #10BLA/BOU2
+      delta_h -647.4 #kJ/mol
+#     Enthalpy of formation: -8318.000 kJ/mol  76HOU/STE
+      -analytic -97.69611E-1 00E+0 33.81606E+3 00E+0 00E+0
+      -Vm 269.2
 
 C4FH13
-Ca4Fe2(OH)14:6H2O     = 4.000Ca+2     + 2.000Fe+3     - 14.000H+     + 20.000H2O
-     log_k    95.160     
-     delta_h -569.200    #kJ/mol        
-     # Enthalpy of formation:           -7417.4        #kJ/mol        #10BLA/BOU2
-     -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0
-
-CSH0.8
-Ca0.8SiO2.8:1.54H2O     = 0.800Ca+2     - 1.600H+     + 1.000H4(SiO4)     + 0.340H2O
-     log_k    11.050     #10BLA/BOU1
-     delta_h  -47.646    #kJ/mol        
-     # Enthalpy of formation:           -1945.13        #kJ/mol        #10BLA/BOU1
-     -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0
-
-CSH1.2
-Ca1.2SiO3.2:2.06H2O     = 1.200Ca+2     - 2.400H+     + 1.000H4(SiO4)     + 1.260H2O
-     log_k    19.300     #10BLA/BOU1
-     delta_h  -88.600    #kJ/mol        
-     # Enthalpy of formation:           -2384.34        #kJ/mol        #10BLA/BOU1
-     -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0
-
-CSH1.6
-Ca1.6SiO3.6:2.58H2O     = 1.600Ca+2     - 3.200H+     + 1.000H4(SiO4)     + 2.180H2O
-     log_k    28.000     #10BLA/BOU1
-     delta_h -133.313    #kJ/mol        
-     # Enthalpy of formation:           -2819.79        #kJ/mol        #10BLA/BOU1
-     -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0
+Ca4Fe2(OH)14:6H2O = 4 Ca+2 + 2 Fe+3 - 14 H+ + 20 H2O
+      log_k 95.08
+      delta_h -571.312 #kJ/mol
+#     Enthalpy of formation: -7417.400 kJ/mol  10BLA/BOU2
+      -analytic -50.09566E-1 00E+0 29.8417E+3 00E+0 00E+0
+      -Vm 274.4
 
 Ca(Adipate)(s)
-Ca(Adipate)     = 1.000Ca+2     + 1.000Adipate-2
-     log_k    -3.300     #12GRI/GAR2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0
+Ca(Adipate) = Ca+2 + Adipate-2
+      log_k -3.3 #12GRI/GAR2
+      -analytic -33E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca(cr)
+Ca = Ca+2 + 2 e-
+      log_k 96.85
+      delta_h -543 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 17.20484E-1 00E+0 28.36287E+3 00E+0 00E+0
 
 Ca(HGlu)2(s)
-Ca(HGlu)2     = 1.000Ca+2     + 2.000HGlu-
-     log_k    -4.190     #99VAN/GLA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0
+Ca(HGlu)2 = Ca+2 + 2 HGlu-
+      log_k -4.19 #99VAN/GLA
+      -analytic -41.9E-1 00E+0 00E+0 00E+0 00E+0
 
 Ca(HIsa)2(cr)
-Ca(HIsa)2     = 1.000Ca+2     + 2.000HIsa-
-     log_k    -6.400     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0
+Ca(HIsa)2 = Ca+2 + 2 HIsa-
+      log_k -6.4 #05HUM/AND
+      -analytic -64E-1 00E+0 00E+0 00E+0 00E+0
 
 Ca(HPO4)(s)
-Ca(HPO4)     = 1.000Ca+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k     0.300     #84NAN
-     delta_h  -24.098    #kJ/mol        
-     # Enthalpy of formation:           -1821.502        #kJ/mol        
-     -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0
+Ca(HPO4) = Ca+2 - H+ + H2(PO4)-
+      log_k 0.3 #84NAN
+      delta_h -24.098 #kJ/mol
+#     Enthalpy of formation: -1821.502 kJ/mol
+      -analytic -39.21788E-1 00E+0 12.58726E+2 00E+0 00E+0
 
 Ca(NO3)2(s)
-Ca(NO3)2     = 1.000Ca+2     + 2.000NO3-
-     log_k     5.890     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0
+Ca(NO3)2 = Ca+2 + 2 NO3-
+      log_k 5.89 #96FAL/REA
+      -analytic 58.9E-1 00E+0 00E+0 00E+0 00E+0
 
 Ca(Ox):2H2O(s)
-Ca(Ox):2H2O     = 1.000Ca+2     + 1.000Ox-2     + 2.000H2O
-     log_k    -8.300     #05HUM/AND
-     delta_h  25.200     #kJ/mol        
-     # Enthalpy of formation:           -1970.52        #kJ/mol        
-     -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0
+Ca(Ox):2H2O = Ca+2 + Ox-2 + 2 H2O
+      log_k -8.3 #05HUM/AND
+      delta_h 25.2 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1970.520 kJ/mol
+      -analytic -38.8515E-1 00E+0 -13.16288E+2 00E+0 00E+0
 
 Ca(Ox):3H2O(s)
-Ca(Ox):3H2O     = 1.000Ca+2     + 1.000Ox-2     + 3.000H2O
-     log_k    -8.190     #05HUM/AND
-     delta_h  29.700     #kJ/mol        
-     # Enthalpy of formation:           -2260.85        #kJ/mol        
-     -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0
+Ca(Ox):3H2O = Ca+2 + Ox-2 + 3 H2O
+      log_k -8.19 #05HUM/AND
+      delta_h 29.7 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2260.850 kJ/mol
+      -analytic -29.86783E-1 00E+0 -15.51339E+2 00E+0 00E+0
 
 Ca(Ox):H2O(s)
-Ca(Ox):H2O     = 1.000Ca+2     + 1.000Ox-2     + 1.000H2O
-     log_k    -8.730     #05HUM/AND
-     delta_h  21.500     #kJ/mol        
-     # Enthalpy of formation:           -1680.99        #kJ/mol        
-     -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0
-
-Ca(SO3)(s)
-Ca(SO3)     = 1.000Ca+2     + 1.000SO3-2
-     log_k    -6.500     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0
+Ca(Ox):H2O = Ca+2 + Ox-2 + H2O
+      log_k -8.73 #05HUM/AND
+      delta_h 21.5 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1680.990 kJ/mol
+      -analytic -49.63362E-1 00E+0 -11.23023E+2 00E+0 00E+0
 
 Ca(SeO3):H2O(s)
-Ca(SeO3):H2O     = 1.000Ca+2     + 1.000SeO3-2     + 1.000H2O
-     log_k    -6.400     #05OLI/NOL
-     delta_h  -11.190    #kJ/mol        
-     # Enthalpy of formation:           -1324.8        #kJ/mol        #05OLI/NOL
-     -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0
+Ca(SeO3):H2O = Ca+2 + SeO3-2 + H2O
+      log_k -6.4 #05OLI/NOL
+      delta_h -11.19 #kJ/mol
+#     Enthalpy of formation: -1324.800 kJ/mol  05OLI/NOL
+      -analytic -83.60404E-1 00E+0 58.44944E+1 00E+0 00E+0
 
 Ca(SeO4):2H2O(s)
-Ca(SeO4):2H2O     = 1.000Ca+2     + 1.000SeO4-2     + 2.000H2O
-     log_k    -2.680     #05OLI/NOL
-     delta_h  -9.160     #kJ/mol        
-     # Enthalpy of formation:           -1709        #kJ/mol        #05OLI/NOL
-     -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0
+Ca(SeO4):2H2O = Ca+2 + SeO4-2 + 2 H2O
+      log_k -2.68 #05OLI/NOL
+      delta_h -9.16 #kJ/mol
+#     Enthalpy of formation: -1709.000 kJ/mol  05OLI/NOL
+      -analytic -42.84763E-1 00E+0 47.84601E+1 00E+0 00E+0
 
-Ca(s)
-Ca     = 1.000Ca+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k   139.840     
-     delta_h -822.763    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0
+Ca(SO3)(s)
+Ca(SO3) = Ca+2 + SO3-2
+      log_k -6.5 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
+      -analytic -65E-1 00E+0 00E+0 00E+0 00E+0
+
+Ca0.5NpO2(OH)2:1.3H2O(cr)
+Ca0.5NpO2(OH)2:1.3H2O = 0.5 Ca+2 + NpO2+ - 2 H+ + 3.3 H2O
+      log_k 12.3 #20GRE/GAO
+      -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca2(Pyrophos)(s)
-Ca2(Pyrophos)     = 2.000Ca+2     + 1.000Pyrophos-4
-     log_k   -15.500     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0
+Ca2(Pyrophos) = 2 Ca+2 + Pyrophos-4
+      log_k -15.5 #88CHA/NEW
+      -analytic -15.5E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca2Cl2(OH)2:H2O(s)
-Ca2Cl2(OH)2:H2O     = 2.000Ca+2     - 2.000H+     + 2.000Cl-     + 3.000H2O
-     log_k    26.530     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0
+Ca2Cl2(OH)2:H2O = 2 Ca+2 - 2 H+ + 2 Cl- + 3 H2O
+      log_k 26.53 #84HAR/MOL
+      -analytic 26.53E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca2Fe2O5(s)
-Ca2Fe2O5     = 2.000Ca+2     + 2.000Fe+3     - 10.000H+     + 5.000H2O
-     log_k    56.760     
-     delta_h -473.870    #kJ/mol        
-     # Enthalpy of formation:           -2138.3        #kJ/mol        
-     -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0
+Ca2Fe2O5 = 2 Ca+2 + 2 Fe+3 - 10 H+ + 5 H2O
+      log_k 56.74
+      delta_h -476.962 #kJ/mol
+#     Enthalpy of formation: -2138.300 kJ/mol  95ROB/HEM
+      -analytic -26.82016E+0 00E+0 24.91346E+3 00E+0 00E+0
 
 Ca2ZrSi3O12(cr)
-Ca2ZrSi3O12     = 2.000Ca+2     - 8.000H+     + 3.000H4(SiO4)     + 1.000Zr+4     - 2.000H2O     + 1.000O2
-     log_k  -154.250     
-     delta_h  764.444    #kJ/mol        
-     # Enthalpy of formation:           -6283        #kJ/mol        #05BRO/CUR
-     -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0
+Ca2ZrSi3O12 = 2 Ca+2 - 12 H+ - 4 e- + 3 H4(SiO4) + Zr+4
+      log_k -68.27
+      delta_h 204.918 #kJ/mol
+#     Enthalpy of formation: -6283.000 kJ/mol  05BRO/CUR
+      -analytic -32.36991E+0 00E+0 -10.70361E+3 00E+0 00E+0
 
 Ca3(AsO4)2:xH2O
-Ca3(AsO4)2     = 3.000Ca+2     + 2.000AsO4-3
-     log_k   -21.000     #11GRI/COL4
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
+Ca3(AsO4)2 = 3 Ca+2 + 2 AsO4-3
+      log_k -21 #11GRI/COL4
+      -analytic -21E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca3(Cit)2:4H2O(s)
-Ca3(Cit)2:4H2O     = 3.000Ca+2     + 2.000Cit-3     + 4.000H2O
-     log_k   -17.900     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0
+Ca3(Cit)2:4H2O = 3 Ca+2 + 2 Cit-3 + 4 H2O
+      log_k -17.9 #05HUM/AND
+      -analytic -17.9E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca3(PO4)2(alfa)
-Ca3(PO4)2     = 3.000Ca+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    10.220     #84NAN
-     delta_h -125.300    #kJ/mol        
-     # Enthalpy of formation:           -4108.9        #kJ/mol        
-     -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0
+Ca3(PO4)2 = 3 Ca+2 - 4 H+ + 2 H2(PO4)-
+      log_k 10.22 #84NAN
+      delta_h -125.3 #kJ/mol
+#     Enthalpy of formation: -4108.898 kJ/mol
+      -analytic -11.73162E+0 00E+0 65.44875E+2 00E+0 00E+0
 
 Ca3B2O6(s)
-Ca3B2O6     = 3.000Ca+2     - 4.000H+     + 2.000B(OH)4-     - 2.000H2O
-     log_k    40.580     
-     delta_h -318.306    #kJ/mol        
-     # Enthalpy of formation:           -3429.266        #kJ/mol        
-     -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0
+Ca3B2O6 = 3 Ca+2 - 4 H+ + 2 B(OH)4- - 2 H2O
+      log_k 40.58
+      delta_h -318.306 #kJ/mol
+#     Enthalpy of formation: -3429.266 kJ/mol
+      -analytic -15.18482E+0 00E+0 16.62628E+3 00E+0 00E+0
 
 Ca3ZrSi2O9(cr)
-Ca3ZrSi2O9     = 3.000Ca+2     - 10.000H+     + 2.000H4(SiO4)     + 1.000Zr+4     + 1.000H2O
-     log_k    47.870     
-     delta_h -416.718    #kJ/mol        
-     # Enthalpy of formation:           -5029        #kJ/mol        #05BRO/CUR
-     -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0
+Ca3ZrSi2O9 = 3 Ca+2 - 10 H+ + 2 H4(SiO4) + Zr+4 + H2O
+      log_k 47.87
+      delta_h -416.718 #kJ/mol
+#     Enthalpy of formation: -5029.000 kJ/mol  05BRO/CUR
+      -analytic -25.13586E+0 00E+0 21.7667E+3 00E+0 00E+0
 
 Ca4Al2O6(CrO4):15H2O(s)
-Ca4Al2O6(CrO4):15H2O     = 4.000Ca+2     + 2.000Al+3     - 12.000H+     + 1.000CrO4-2     + 21.000H2O
-     log_k    71.360     #01PER/PAL
-     delta_h -545.980    #kJ/mol        #01PER/PAL
-     # Enthalpy of formation:           -9584.25        #kJ/mol        
-     -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0
+Ca4Al2O6(CrO4):15H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CrO4-2 + 21 H2O
+      log_k 71.36 #01PER/PAL
+      delta_h -545.98 #kJ/mol 01PER/PAL
+#     Enthalpy of formation: -9584.250 kJ/mol
+      -analytic -24.29159E+0 00E+0 28.51852E+3 00E+0 00E+0
 
 Ca4Cl2(OH)6:13H2O(s)
-Ca4Cl2(OH)6:13H2O     = 4.000Ca+2     - 6.000H+     + 2.000Cl-     + 19.000H2O
-     log_k    68.730     #84HAR/MOL
-     delta_h -271.930    #kJ/mol        
-     # Enthalpy of formation:           -7665        #kJ/mol        #82WAG/EVA
-     -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0
+Ca4Cl2(OH)6:13H2O = 4 Ca+2 - 6 H+ + 2 Cl- + 19 H2O
+      log_k 68.73 #84HAR/MOL
+      delta_h -271.93 #kJ/mol
+#     Enthalpy of formation: -7665.000 kJ/mol  82WAG/EVA
+      -analytic 21.08991E+0 00E+0 14.20389E+3 00E+0 00E+0
 
 Ca4H(PO4)3:2.5H2O(s)
-Ca4H(PO4)3:2.5H2O     = 4.000Ca+2     - 5.000H+     + 3.000H2(PO4)-     + 2.500H2O
-     log_k    11.810     #84NAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0
+Ca4H(PO4)3:2.5H2O = 4 Ca+2 - 5 H+ + 3 H2(PO4)- + 2.5 H2O
+      log_k 11.81 #84NAN
+      -analytic 11.81E+0 00E+0 00E+0 00E+0 00E+0
 
 Ca6(Al(OH)6)2(CrO4)3:26H2O(s)
-Ca6(Al(OH)6)2(CrO4)3:26H2O     = 6.000Ca+2     + 2.000Al+3     - 12.000H+     + 3.000CrO4-2     + 38.000H2O
-     log_k    60.280     #00PER/PAL
-     delta_h -509.590    #kJ/mol        #00PER/PAL
-     # Enthalpy of formation:           -17323.75        #kJ/mol        
-     -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0
+Ca6(Al(OH)6)2(CrO4)3:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 CrO4-2 + 38 H2O
+      log_k 60.28 #00PER/PAL
+      delta_h -509.59 #kJ/mol 00PER/PAL
+#     Enthalpy of formation: -17323.750kJ/mol
+      -analytic -28.99634E+0 00E+0 26.61774E+3 00E+0 00E+0
 
 CaB2O4(s)
-CaB2O4     = 1.000Ca+2     + 2.000B(OH)4-     - 4.000H2O
-     log_k    -2.180     
-     delta_h  -58.908    #kJ/mol        
-     # Enthalpy of formation:           -2031.004        #kJ/mol        
-     -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0
+CaB2O4 = Ca+2 + 2 B(OH)4- - 4 H2O
+      log_k -2.18
+      delta_h -58.894 #kJ/mol
+#     Enthalpy of formation: -2031.019 kJ/mol
+      -analytic -12.49779E+0 00E+0 30.76248E+2 00E+0 00E+0
 
 CaB4O7(s)
-CaB4O7     = 1.000Ca+2     + 2.000H+     + 4.000B(OH)4-     - 9.000H2O
-     log_k   -23.440     
-     delta_h   9.373     #kJ/mol        
-     # Enthalpy of formation:           -3360.367        #kJ/mol        
-     -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0
-
-CaCO3:H2O(s)
-CaCO3:H2O     = 1.000Ca+2     + 1.000CO3-2     + 1.000H2O
-     log_k    -7.600     #73HUL/TUR
-     delta_h  -5.770     #kJ/mol        
-     # Enthalpy of formation:           -1498.29        #kJ/mol        #73HUL/TUR
-     -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0
+CaB4O7 = Ca+2 + 2 H+ + 4 B(OH)4- - 9 H2O
+      log_k -23.44
+      delta_h 9.371 #kJ/mol
+#     Enthalpy of formation: -3360.367 kJ/mol
+      -analytic -21.79827E+0 00E+0 -48.94814E+1 00E+0 00E+0
 
 CaCl2:2H2O(cr)
-CaCl2:2H2O     = 1.000Ca+2     + 2.000Cl-     + 2.000H2O
-     log_k     7.950     
-     delta_h  -44.790    #kJ/mol        
-     # Enthalpy of formation:           -1404.03        #kJ/mol        #87GAR/PAR
-     -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0
+CaCl2:2H2O = Ca+2 + 2 Cl- + 2 H2O
+      log_k 7.95
+      delta_h -44.79 #kJ/mol
+#     Enthalpy of formation: -1404.030 kJ/mol  87GAR/PAR
+      -analytic 10.31288E-2 00E+0 23.39545E+2 00E+0 00E+0
 
 CaCl2:4H2O(cr)
-CaCl2:4H2O     = 1.000Ca+2     + 2.000Cl-     + 4.000H2O
-     log_k     5.350     
-     delta_h  -11.310    #kJ/mol        
-     # Enthalpy of formation:           -2009.17        #kJ/mol        #87GAR/PAR
-     -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0
+CaCl2:4H2O = Ca+2 + 2 Cl- + 4 H2O
+      log_k 5.35
+      delta_h -11.31 #kJ/mol
+#     Enthalpy of formation: -2009.170 kJ/mol  87GAR/PAR
+      -analytic 33.68573E-1 00E+0 59.07624E+1 00E+0 00E+0
 
 CaCl2:H2O(s)
-CaCl2:H2O     = 1.000Ca+2     + 2.000Cl-     + 1.000H2O
-     log_k     7.850     
-     delta_h  -52.160    #kJ/mol        
-     # Enthalpy of formation:           -1110.83        #kJ/mol        #87GAR/PAR
-     -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0
+CaCl2:H2O = Ca+2 + 2 Cl- + H2O
+      log_k 7.85
+      delta_h -52.16 #kJ/mol
+#     Enthalpy of formation: -1110.830 kJ/mol  87GAR/PAR
+      -analytic -12.8804E-1 00E+0 27.24507E+2 00E+0 00E+0
+
+CaCO3:H2O(s)
+CaCO3:H2O = Ca+2 + CO3-2 + H2O
+      log_k -7.6 #73HUL/TUR
+      delta_h -5.77 #kJ/mol
+#     Enthalpy of formation: -1498.290 kJ/mol  73HUL/TUR
+      -analytic -86.10861E-1 00E+0 30.13881E+1 00E+0 00E+0
 
 CaCrO4(s)
-CaCrO4     = 1.000Ca+2     + 1.000CrO4-2
-     log_k    -3.150     #03DEA
-     delta_h  -22.814    #kJ/mol        
-     # Enthalpy of formation:           -1399.186        #kJ/mol        
-     -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0
-
-CaF2:6H2O(s)
-CaF2:6H2O     = 1.000Ca+2     + 2.000F-     + 6.000H2O
-     log_k    -5.480     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0
-
-CaFe2O4(s)
-CaFe2O4     = 1.000Ca+2     + 2.000Fe+3     - 8.000H+     + 4.000H2O
-     log_k    21.240     #79ROB
-     delta_h -263.980    #kJ/mol        
-     # Enthalpy of formation:           -1520.34        #kJ/mol        
-     -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0
-
-CaI2(s)
-CaI2     = 1.000Ca+2     + 2.000I-
-     log_k    22.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0
-
-CaMg3(CO3)4(s)
-CaMg3(CO3)4     = 1.000Ca+2     + 3.000Mg+2     + 4.000CO3-2
-     log_k   -30.810     # 
-     delta_h -112.340    #kJ/mol        
-     # Enthalpy of formation:           -4532.58        #kJ/mol        #73HEM/ROB
-     -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0
-
-CaMoO4(s)
-CaMoO4     = 1.000Ca+2     + 1.000MoO4-2
-     log_k    -7.900     
-     delta_h   1.424     #kJ/mol        
-     # Enthalpy of formation:           -1541.424        #kJ/mol        
-     -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0
-
-CaO(cr)
-CaO     = 1.000Ca+2     - 2.000H+     + 1.000H2O
-     log_k    32.700     
-     delta_h -193.910    #kJ/mol        
-     # Enthalpy of formation:           -634.92        #kJ/mol        #89COX/WAG
-     -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0
-
-CaSn(OH)6(s)
-CaSn(OH)6     = 1.000Ca+2     + 1.000Sn+4     - 6.000H+     + 6.000H2O
-     log_k    -0.740     #Log K¿ estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using  values of Sn(OH)6-2 selected in this work
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0
-
-CaU2O7:3H2O(cr)
-CaU2O7:3H2O     = 1.000Ca+2     + 2.000UO2+2     - 6.000H+     + 6.000H2O
-     log_k    23.400     #05ALT/NEC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
+CaCrO4 = Ca+2 + CrO4-2
+      log_k -3.15 #03DEA
+      delta_h -22.807 #kJ/mol
+#     Enthalpy of formation: -1399.193 kJ/mol
+      -analytic -71.45615E-1 00E+0 11.91293E+2 00E+0 00E+0
 
 Cadmoselite
-CdSe     = 1.000Cd+2     - 1.000H+     + 1.000HSe-
-     log_k   -18.680     
-     delta_h  81.480     #kJ/mol        
-     # Enthalpy of formation:           -143.1        #kJ/mol        #05OLI/NOL
-     -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0
+CdSe = Cd+2 - H+ + HSe-
+      log_k -18.68
+      delta_h 81.48 #kJ/mol
+#     Enthalpy of formation: -143.100  kJ/mol  05OLI/NOL
+      -analytic -44.05317E-1 00E+0 -42.55997E+2 00E+0 00E+0
+
+CaF2:6H2O(s)
+CaF2:6H2O = Ca+2 + 2 F- + 6 H2O
+      log_k -5.48 #96FAL/REA
+      -analytic -54.8E-1 00E+0 00E+0 00E+0 00E+0
+
+CaFe2O4(s)
+CaFe2O4 = Ca+2 + 2 Fe+3 - 8 H+ + 4 H2O
+      log_k 21.24 #79ROB
+      delta_h -263.98 #kJ/mol 79ROB
+#     Enthalpy of formation: -1522.452 kJ/mol
+      -analytic -25.00731E+0 00E+0 13.78864E+3 00E+0 00E+0
+
+CaI2(s)
+CaI2 = Ca+2 + 2 I-
+      log_k 22.5 #96FAL/REA
+      -analytic 22.5E+0 00E+0 00E+0 00E+0 00E+0
 
 Calcite
-CaCO3      = 1.000Ca+2     + 1.000CO3-2
-     log_k    -8.480     #82PLUM/BUS
-     delta_h  -10.620    #kJ/mol        #82PLUM/BUS
-     # Enthalpy of formation:           -1207.61        #kJ/mol        
-     -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0
+CaCO3 = Ca+2 + CO3-2
+      log_k -8.48 #82PLUM/BUS
+      delta_h -10.62 #kJ/mol 82PLUM/BUS
+#     Enthalpy of formation: -1207.610 kJ/mol
+      -analytic -10.34054E+0 00E+0 55.47212E+1 00E+0 00E+0
+      -Vm 36.93
+
+CaMg3(CO3)4(s)
+CaMg3(CO3)4 = Ca+2 + 3 Mg+2 + 4 CO3-2
+      log_k -30.81
+      delta_h -112.34 #kJ/mol
+#     Enthalpy of formation: -4532.580 kJ/mol  73HEM/ROB
+      -analytic -50.49112E+0 00E+0 58.67927E+2 00E+0 00E+0
+
+CaMoO4(s)
+CaMoO4 = Ca+2 + MoO4-2
+      log_k -7.9
+      delta_h 1.427 #kJ/mol
+#     Enthalpy of formation: -1541.427 kJ/mol
+      -analytic -76.5E-1 00E+0 -74.5374E+0 00E+0 00E+0
+
+CaO(cr)
+CaO = Ca+2 - 2 H+ + H2O
+      log_k 32.7
+      delta_h -193.91 #kJ/mol
+#     Enthalpy of formation: -634.920  kJ/mol  89COX/WAG
+      -analytic -12.71574E-1 00E+0 10.12862E+3 00E+0 00E+0
 
 Carnallite
-KMgCl3:6H2O     = 1.000Mg+2     + 1.000K+     + 3.000Cl-     + 6.000H2O
-     log_k     4.330     #84HAR/MOL
-     delta_h   9.339     #kJ/mol        
-     # Enthalpy of formation:           -2944.699        #kJ/mol        #74NAU/RYZ
-     -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0
+KMgCl3:6H2O = Mg+2 + K+ + 3 Cl- + 6 H2O
+      log_k 4.33 #84HAR/MOL
+      delta_h 9.339 #kJ/mol
+#     Enthalpy of formation: -2944.699 kJ/mol  74NAU/RYZ
+      -analytic 59.66123E-1 00E+0 -48.78099E+1 00E+0 00E+0
+
+CaSn(OH)6(s)
+CaSn(OH)6 = Ca+2 + Sn+4 - 6 H+ + 6 H2O
+      log_k -0.74 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work
+      -analytic -74E-2 00E+0 00E+0 00E+0 00E+0
 
 Cassiterite
-SnO2     = 1.000Sn+4     - 4.000H+     + 2.000H2O
-     log_k   -15.600     
-     delta_h  -25.529    #kJ/mol        
-     # Enthalpy of formation:           -577.63        #kJ/mol        #12GAM/GAJ
-     -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0
+SnO2 = Sn+4 - 4 H+ + 2 H2O
+      log_k -15.6
+      delta_h -25.541 #kJ/mol
+#     Enthalpy of formation: -577.630  kJ/mol  12GAM/GAJ
+      -analytic -20.07459E+0 00E+0 13.34099E+2 00E+0 00E+0
 
 Cattierite
-CoS2     = 1.000Co+2     + 2.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -62.970     
-     delta_h  340.463    #kJ/mol        
-     # Enthalpy of formation:           -150.9        #kJ/mol        #95ROB/HEM
-     -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0
+CoS2 = Co+2 - 2 H+ - 2 e- + 2 HS-
+      log_k -19.98
+      delta_h 60.7 #kJ/mol
+#     Enthalpy of formation: -150.900  kJ/mol  95ROB/HEM
+      -analytic -93.45816E-1 00E+0 -31.70582E+2 00E+0 00E+0
+
+CaU2O7:3H2O(cr)
+CaU2O7:3H2O = Ca+2 + 2 UO2+2 - 6 H+ + 6 H2O
+      log_k 23.4 #05ALT/NEC
+      -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0
 
 Cd(CO3)(s)
-Cd(CO3)     = 1.000Cd+2     + 1.000CO3-2
-     log_k   -12.100     #91RAI/FEL1
-     delta_h   1.482     #kJ/mol        
-     # Enthalpy of formation:           -752.632        #kJ/mol        
-     -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0
-
-Cd(OH)2(s)
-Cd(OH)2     = 1.000Cd+2     - 2.000H+     + 2.000H2O
-     log_k    13.860     #91RAI/FEL1
-     delta_h  -87.730    #kJ/mol        
-     # Enthalpy of formation:           -559.85        #kJ/mol        
-     -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0
-
-Cd(SO4)(cr)
-Cd(SO4)     = 1.000Cd+2     + 1.000SO4-2
-     log_k    -0.160     
-     delta_h  -51.980    #kJ/mol        
-     # Enthalpy of formation:           -933.28        #kJ/mol        #82WAG/EVA
-     -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0
-
-Cd(SO4):2.67H2O(cr)
-Cd(SO4):2.67H2O     = 1.000Cd+2     + 1.000SO4-2     + 2.670H2O
-     log_k    -1.550     
-     delta_h  -20.126    #kJ/mol        
-     # Enthalpy of formation:           -1728.3        #kJ/mol        #89COX/WAG
-     -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0
-
-Cd(SeCn)2(cr)
-Cd(SeCn)2     = 1.000Cd+2     + 2.000H+     + 2.000Cn-     + 2.000HSe-     - 2.000H2O     + 1.000O2
-     log_k  -117.730     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0
+Cd(CO3) = Cd+2 + CO3-2
+      log_k -12.1 #91RAI/FEL1
+      delta_h 1.482 #kJ/mol
+#     Enthalpy of formation: -752.633  kJ/mol
+      -analytic -11.84036E+0 00E+0 -77.41025E+0 00E+0 00E+0
 
 Cd(cr)
-Cd     = 1.000Cd+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    56.610     
-     delta_h -355.683    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0
+Cd = Cd+2 + 2 e-
+      log_k 13.62
+      delta_h -75.92 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 31.93869E-2 00E+0 39.65578E+2 00E+0 00E+0
+
+Cd(OH)2(s)
+Cd(OH)2 = Cd+2 - 2 H+ + 2 H2O
+      log_k 13.86 #91RAI/FEL1
+      delta_h -87.73 #kJ/mol
+#     Enthalpy of formation: -559.850  kJ/mol
+      -analytic -15.09636E-1 00E+0 45.82457E+2 00E+0 00E+0
+
+Cd(SO4)(cr)
+Cd(SO4) = Cd+2 + SO4-2
+      log_k -0.16
+      delta_h -51.98 #kJ/mol
+#     Enthalpy of formation: -933.280  kJ/mol  82WAG/EVA
+      -analytic -92.66505E-1 00E+0 27.15104E+2 00E+0 00E+0
+
+Cd(SO4):2.67H2O(cr)
+Cd(SO4):2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+      log_k -1.55
+      delta_h -20.126 #kJ/mol
+#     Enthalpy of formation: -1728.300 kJ/mol  89COX/WAG
+      -analytic -50.75924E-1 00E+0 10.51254E+2 00E+0 00E+0
 
 Cd3(AsO4)2(s)
-Cd3(AsO4)2     = 3.000Cd+2     + 2.000AsO4-3
-     log_k   -32.620     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0
+Cd3(AsO4)2 = 3 Cd+2 + 2 AsO4-3
+      log_k -32.62
+      -analytic -32.62E+0 00E+0 00E+0 00E+0 00E+0
 
 Cd3(PO4)2(s)
-Cd3(PO4)2     = 3.000Cd+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k     8.970     
-     delta_h -206.960    #kJ/mol        
-     # Enthalpy of formation:           -2626        #kJ/mol        #01BEN/JEM
-     -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0
+Cd3(PO4)2 = 3 Cd+2 - 4 H+ + 2 H2(PO4)-
+      log_k 8.97
+      delta_h -206.96 #kJ/mol
+#     Enthalpy of formation: -2626.000 kJ/mol  01BEN/JEM
+      -analytic -27.28784E+0 00E+0 10.81027E+3 00E+0 00E+0
 
 Cd5(PO4)3Cl(cr)
-Cd5(PO4)3Cl     = 5.000Cd+2     - 6.000H+     + 1.000Cl-     + 3.000H2(PO4)-
-     log_k    12.670     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
+Cd5(PO4)3Cl = 5 Cd+2 - 6 H+ + Cl- + 3 H2(PO4)-
+      log_k 12.67
+      -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0
 
 Cd5(PO4)3OH(cr)
-Cd5(PO4)3OH     = 5.000Cd+2     - 7.000H+     + 3.000H2(PO4)-     + 1.000H2O
-     log_k    19.840     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0
+Cd5(PO4)3OH = 5 Cd+2 - 7 H+ + 3 H2(PO4)- + H2O
+      log_k 19.84
+      -analytic 19.84E+0 00E+0 00E+0 00E+0 00E+0
 
 CdB2O4(s)
-CdB2O4     = 1.000Cd+2     + 2.000B(OH)4-     - 4.000H2O
-     log_k    -8.640     #91BAL/NOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0
+CdB2O4 = Cd+2 + 2 B(OH)4- - 4 H2O
+      log_k -8.64 #91BAL/NOR
+      -analytic -86.4E-1 00E+0 00E+0 00E+0 00E+0
 
 CdCl2(s)
-CdCl2     = 1.000Cd+2     + 2.000Cl-
-     log_k    -0.660     
-     delta_h  -18.580    #kJ/mol        
-     # Enthalpy of formation:           -391.5        #kJ/mol        #74NAU/RYZ
-     -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0
+CdCl2 = Cd+2 + 2 Cl-
+      log_k -0.66
+      delta_h -18.58 #kJ/mol
+#     Enthalpy of formation: -391.500  kJ/mol  74NAU/RYZ
+      -analytic -39.15076E-1 00E+0 97.0501E+1 00E+0 00E+0
 
 CdCl2:2.5H2O(s)
-CdCl2:2.5H2O     = 1.000Cd+2     + 2.000Cl-     + 2.500H2O
-     log_k    -1.900     
-     delta_h   7.285     #kJ/mol        
-     # Enthalpy of formation:           -1131.94        #kJ/mol        #82WAG/EVA
-     -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0
+CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+      log_k -1.9
+      delta_h 7.285 #kJ/mol
+#     Enthalpy of formation: -1131.940 kJ/mol  82WAG/EVA
+      -analytic -62.37228E-2 00E+0 -38.05221E+1 00E+0 00E+0
 
 CdCl2:H2O(cr)
-CdCl2:H2O     = 1.000Cd+2     + 2.000Cl-     + 1.000H2O
-     log_k    -1.690     
-     delta_h  -7.470     #kJ/mol        
-     # Enthalpy of formation:           -688.44        #kJ/mol        #82WAG/EVA
-     -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0
+CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+      log_k -1.69
+      delta_h -7.47 #kJ/mol
+#     Enthalpy of formation: -688.440  kJ/mol  82WAG/EVA
+      -analytic -29.98688E-1 00E+0 39.01853E+1 00E+0 00E+0
 
 CdO(s)
-CdO     = 1.000Cd+2     - 2.000H+     + 1.000H2O
-     log_k    15.100     
-     delta_h -103.400    #kJ/mol        
-     # Enthalpy of formation:           -258.35        #kJ/mol        #89COX/WAG
-     -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0
+CdO = Cd+2 - 2 H+ + H2O
+      log_k 15.1
+      delta_h -103.4 #kJ/mol
+#     Enthalpy of formation: -258.350  kJ/mol  89COX/WAG
+      -analytic -30.14902E-1 00E+0 54.00958E+2 00E+0 00E+0
 
 CdS(s)
-CdS     = 1.000Cd+2     - 1.000H+     + 1.000HS-
-     log_k   -14.820     #99WAN/TES
-     delta_h  56.570     #kJ/mol        
-     # Enthalpy of formation:           -148.79        #kJ/mol        #06DEO/NAV
-     -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0
+CdS = Cd+2 - H+ + HS-
+      log_k -14.82 #99WAN/TES
+      delta_h 56.57 #kJ/mol
+#     Enthalpy of formation: -148.790  kJ/mol  06DEO/NAV
+      -analytic -49.09361E-1 00E+0 -29.54857E+2 00E+0 00E+0
 
 CdSiO3(cr)
-CdSiO3     = 1.000Cd+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     log_k     7.790     
-     delta_h  -62.194    #kJ/mol        
-     # Enthalpy of formation:           -1189.09        #kJ/mol        #77BAR/KNA
-     -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0
+CdSiO3 = Cd+2 - 2 H+ + H4(SiO4) - H2O
+      log_k 7.79
+      delta_h -62.194 #kJ/mol
+#     Enthalpy of formation: -1189.090 kJ/mol  77BAR/KNA
+      -analytic -31.05921E-1 00E+0 32.48619E+2 00E+0 00E+0
 
 Celadonite-Fe
-KFeAlSi4O10(OH)2     = 1.000K+     + 1.000Fe+2     + 1.000Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k    10.220     
-     delta_h -103.866    #kJ/mol        
-     # Enthalpy of formation:           -5478.13        #kJ/mol        #02
-     -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0
+KFeAlSi4O10(OH)2 = K+ + Fe+2 + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 6.45
+      delta_h -104.161 #kJ/mol
+#     Enthalpy of formation: -5478.130 kJ/mol  02PAR/VID
+      -analytic -11.79822E+0 00E+0 54.40708E+2 00E+0 00E+0
+      -Vm 143.01
 
 Celadonite-Mg
-KMgAlSi4O10(OH)2     = 1.000Mg+2     + 1.000K+     + 1.000Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k    10.220     
-     delta_h -124.256    #kJ/mol        
-     # Enthalpy of formation:           -5834.74        #kJ/mol        #02PAR/VID
-     -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0
+KMgAlSi4O10(OH)2 = Mg+2 + K+ + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 10.2
+      delta_h -124.256 #kJ/mol
+#     Enthalpy of formation: -5834.740 kJ/mol  02PAR/VID
+      -analytic -11.56872E+0 00E+0 64.90343E+2 00E+0 00E+0
+      -Vm 139.62
 
 Celestite
-Sr(SO4)     = 1.000Sr+2     + 1.000SO4-2
-     log_k    -6.620     #06BLA/IGN
-     delta_h  -2.451     #kJ/mol        
-     # Enthalpy of formation:           -1457.788        #kJ/mol        
-     -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0
+Sr(SO4) = Sr+2 + SO4-2
+      log_k -6.62 #06BLA/IGN
+      delta_h -2.451 #kJ/mol
+#     Enthalpy of formation: -1457.789 kJ/mol
+      -analytic -70.49397E-1 00E+0 12.80246E+1 00E+0 00E+0
+      -Vm 46.25
 
 Cerussite
-Pb(CO3)     = 1.000Pb+2     + 1.000CO3-2
-     log_k   -13.290     
-     delta_h  27.414     #kJ/mol        
-     # Enthalpy of formation:           -701.723        #kJ/mol        
-     -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0
+Pb(CO3) = Pb+2 + CO3-2
+      log_k -13.29
+      delta_h 27.425 #kJ/mol
+#     Enthalpy of formation: -701.735  kJ/mol
+      -analytic -84.85346E-1 00E+0 -14.32508E+2 00E+0 00E+0
 
 Chabazite
-CaAl2Si4O12:6H2O     = 1.000Ca+2     + 2.000Al+3     - 8.000H+     + 4.000H4(SiO4)     + 2.000H2O
-     log_k    11.540     
-     delta_h -209.796    #kJ/mol        
-     # Enthalpy of formation:           -7826.44        #kJ/mol        #09BLA
-     -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0
+CaAl2Si4O12:6H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) + 2 H2O
+      log_k 11.52
+      delta_h -209.796 #kJ/mol
+#     Enthalpy of formation: -7826.440 kJ/mol  09BLA
+      -analytic -25.23468E+0 00E+0 10.95841E+3 00E+0 00E+0
+      -Vm 251.16
+
+Chalcanthite
+CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+      log_k -2.69
+      delta_h 6.108 #kJ/mol
+#     Enthalpy of formation: -2279.696 kJ/mol
+      -analytic -16.19924E-1 00E+0 -31.90431E+1 00E+0 00E+0
+
+Chalcocite
+Cu2S = 2 Cu+ - H+ + HS-
+      log_k -34.02 #94THO/HEL
+      delta_h 204.317 #kJ/mol
+#     Enthalpy of formation: -79.440   kJ/mol
+      -analytic 17.74802E-1 00E+0 -10.67222E+3 00E+0 00E+0
+
+Chalcocyanite
+CuSO4 = Cu+2 + SO4-2
+      log_k 2.94
+      delta_h -73.025 #kJ/mol
+#     Enthalpy of formation: -771.415  kJ/mol
+      -analytic -98.53431E-1 00E+0 38.14361E+2 00E+0 00E+0
 
 Chamosite
-Fe5Al2Si3O10(OH)8     = 5.000Fe+2     + 2.000Al+3     - 16.000H+     + 3.000H4(SiO4)     + 6.000H2O
-     log_k    47.600     
-     delta_h -504.512    #kJ/mol        
-     # Enthalpy of formation:           -7120.85        #kJ/mol        #05VID/PAR
-     -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0
+Fe5Al2Si3O10(OH)8 = 5 Fe+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O
+      log_k 47.68
+      delta_h -505.987 #kJ/mol
+#     Enthalpy of formation: -7120.850 kJ/mol  05VID/PAR
+      -analytic -40.96512E+0 00E+0 26.42954E+3 00E+0 00E+0
+      -Vm 215.88
 
 Chloroapatite
-Ca5Cl(PO4)3      = 5.000Ca+2     - 6.000H+     + 1.000Cl-     + 3.000H2(PO4)-
-     log_k     5.210     #68VAL/KOG
-     delta_h -132.541    #kJ/mol        
-     # Enthalpy of formation:           -6657.339        #kJ/mol        
-     -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0
+Ca5Cl(PO4)3 = 5 Ca+2 - 6 H+ + Cl- + 3 H2(PO4)-
+      log_k 5.21 #68VAL/KOG
+      delta_h -132.541 #kJ/mol
+#     Enthalpy of formation: -6657.337 kJ/mol
+      -analytic -18.01019E+0 00E+0 69.23099E+2 00E+0 00E+0
 
 Chromite
-FeCr2O4     = 1.000Fe+2     - 8.000H+     + 2.000Cr+3     + 4.000H2O
-     log_k    15.120     
-     delta_h -268.820    #kJ/mol        
-     # Enthalpy of formation:           -1445.5        #kJ/mol        #95ROB/HEM
-     -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0
+FeCr2O4 = Fe+2 - 8 H+ + 2 Cr+3 + 4 H2O
+      log_k 15.14
+      delta_h -269.115 #kJ/mol
+#     Enthalpy of formation: -1445.500 kJ/mol  95ROB/HEM
+      -analytic -32.00692E+0 00E+0 14.05686E+3 00E+0 00E+0
+
+Chukanovite
+Fe2(OH)2CO3 = 2 Fe+2 - 2 H+ + CO3-2 + 2 H2O
+      log_k 2.97
+      -analytic 29.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Cinnabar
+HgS = - H+ + HS- + Hg+2
+      log_k -39.18
+      delta_h 208.21 #kJ/mol
+#     Enthalpy of formation: -54.300   kJ/mol  95ROB/HEM
+      -analytic -27.03174E-1 00E+0 -10.87557E+3 00E+0 00E+0
 
 Clarkeite
-Na(UO2)O(OH)     = 1.000Na+     + 1.000UO2+2     - 3.000H+     + 2.000H2O
-     log_k     9.400     #08GOR/FEI
-     delta_h -106.300    #kJ/mol        
-     # Enthalpy of formation:           -1724.7        #kJ/mol        #06KUB/HEL
-     -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0
+Na(UO2)O(OH) = Na+ + UO2+2 - 3 H+ + 2 H2O
+      log_k 9.4 #08GOR/FEI
+      delta_h -106.3 #kJ/mol
+#     Enthalpy of formation: -1724.700 kJ/mol  06KUB/HEL
+      -analytic -92.22961E-1 00E+0 55.52436E+2 00E+0 00E+0
 
 Claudetite
-As2O3     = - 3.000H2O     + 2.000H3(AsO3)
-     log_k    -1.460     
-     delta_h  28.240     #kJ/mol        
-     # Enthalpy of formation:           -655.15        #kJ/mol        
-     -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0
+As2O3 = -3 H2O + 2 H3(AsO3)
+      log_k -1.46
+      delta_h 28.238 #kJ/mol
+#     Enthalpy of formation: -655.150  kJ/mol
+      -analytic 34.87085E-1 00E+0 -14.74973E+2 00E+0 00E+0
 
 Clausthalite
-PbSe     = 1.000Pb+2     - 1.000H+     + 1.000HSe-
-     log_k   -20.530     
-     delta_h  113.720    #kJ/mol        
-     # Enthalpy of formation:           -98.5        #kJ/mol        #05OLI/NOL
-     -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0
+PbSe = Pb+2 - H+ + HSe-
+      log_k -20.53
+      delta_h 113.72 #kJ/mol
+#     Enthalpy of formation: -98.500   kJ/mol  05OLI/NOL
+      -analytic -60.71112E-2 00E+0 -59.40009E+2 00E+0 00E+0
 
 Clinochlore
-Mg5Al2Si3O10(OH)8     = 5.000Mg+2     + 2.000Al+3     - 16.000H+     + 3.000H4(SiO4)     + 6.000H2O
-     log_k    61.720     
-     delta_h -600.772    #kJ/mol        
-     # Enthalpy of formation:           -8909.59        #kJ/mol        #05VID/PAR
-     -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0
+Mg5Al2Si3O10(OH)8 = 5 Mg+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O
+      log_k 61.68
+      delta_h -600.772 #kJ/mol
+#     Enthalpy of formation: -8909.590 kJ/mol  05VID/PAR
+      -analytic -43.57074E+0 00E+0 31.38051E+3 00E+0 00E+0
+      -Vm 211.47
 
 Clinoptilolite_Ca
-Ca0.55(Si4.9Al1.1)O12:3.9H2O     = 0.550Ca+2     + 1.100Al+3     - 4.400H+     + 4.900H4(SiO4)     - 3.700H2O
-     log_k    -2.350     #09BLA
-     delta_h  -68.512    #kJ/mol        
-     # Enthalpy of formation:           -6924.658        #kJ/mol        
-     -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0
+Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.55 Ca+2 + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 3.7 H2O
+      log_k -2.35 #09BLA
+      delta_h -68.491 #kJ/mol
+#     Enthalpy of formation: -6924.681 kJ/mol
+      -analytic -14.34911E+0 00E+0 35.77534E+2 00E+0 00E+0
+      -Vm 209.66
 
 Clinoptilolite_K
-K1.1(Si4.9Al1.1)O12:2.7H2O     = 1.100K+     + 1.100Al+3     - 4.400H+     + 4.900H4(SiO4)     - 4.900H2O
-     log_k    -1.230     #09BLA
-     delta_h  -60.128    #kJ/mol        
-     # Enthalpy of formation:           -6568.749        #kJ/mol        
-     -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0
+K1.1(Si4.9Al1.1)O12:2.7H2O = 1.1 K+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.9 H2O
+      log_k -1.23 #09BLA
+      delta_h -60.121 #kJ/mol
+#     Enthalpy of formation: -6568.760 kJ/mol
+      -analytic -11.76275E+0 00E+0 31.40339E+2 00E+0 00E+0
+      -Vm 210.73
 
 Clinoptilolite_Na
-Na1.1(Si4.9Al1.1)O12:3.5H2O     = 1.100Na+     + 1.100Al+3     - 4.400H+     + 4.900H4(SiO4)     - 4.100H2O
-     log_k    -0.090     #09BLA
-     delta_h  -62.470    #kJ/mol        
-     # Enthalpy of formation:           -6782.091        #kJ/mol        
-     -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0
-
-Cm(CO3)(OH)(cr)
-Cm(CO3)(OH)     = - 1.000H+     + 1.000CO3-2     + 1.000Cm+3     + 1.000H2O
-     log_k   -10.340     #estimated by correlation with Ln(III) and An(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(CO3)(OH):0.5H2O(s)
-Cm(CO3)(OH):0.5H2O     = - 1.000H+     + 1.000CO3-2     + 1.000Cm+3     + 1.500H2O
-     log_k    -7.780     #estimated by correlation with Ln(III) and An(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0
-
-Cm(OH)3(am)
-Cm(OH)3     = - 3.000H+     + 1.000Cm+3     + 3.000H2O
-     log_k    17.900     #estimated from ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(OH)3(cr)
-Cm(OH)3     = - 3.000H+     + 1.000Cm+3     + 3.000H2O
-     log_k    15.600     #estimated from ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0
-
-Cm(PO4):xH2O(s)
-Cm(PO4)     = - 2.000H+     + 1.000H2(PO4)-     + 1.000Cm+3
-     log_k    -4.970     #estimated by correlation with Ln(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0
+Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.1 Na+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.1 H2O
+      log_k -0.09 #09BLA
+      delta_h -62.46 #kJ/mol
+#     Enthalpy of formation: -6782.105 kJ/mol
+      -analytic -11.03252E+0 00E+0 32.62513E+2 00E+0 00E+0
+      -Vm 214.78
 
 Cm(cr)
-Cm     = 1.000Cm+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   168.795     #01KON2
-     delta_h -1034.645   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0
+Cm = 3 e- + Cm+3
+      log_k 104.31
+      delta_h -615 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  01KON2
+      -analytic -34.33375E-1 00E+0 32.12369E+3 00E+0 00E+0
 
-Cm2(CO3)3(am)
-Cm2(CO3)3     = 3.000CO3-2     + 2.000Cm+3
-     log_k   -33.900     #estimated in analogy wiht Ln(III) and Am(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0
+Cm(OH)3(am)
+Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O
+      log_k 17.8 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic 17.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Cm(OH)3(cr)
+Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O
+      log_k 15.67 #estimated from ionic radii
+      -analytic 15.67E+0 00E+0 00E+0 00E+0 00E+0
+
+Cm(PO4):0.5H2O(am)
+Cm(PO4):0.5H2O = -2 H+ + H2(PO4)- + Cm+3 + 0.5 H2O
+      log_k -4.97 #estimated by correlation with Ln(III)
+      -analytic -49.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Cm2(CO3)3(s)
+Cm2(CO3)3 = 3 CO3-2 + 2 Cm+3
+      log_k -34.3 #Estimated by correlation with An(III).
+      -analytic -34.3E+0 00E+0 00E+0 00E+0 00E+0
 
 Cm2O3(cr)
-Cm2O3     = - 6.000H+     + 2.000Cm+3     + 3.000H2O
-     log_k    53.100     
-     delta_h -403.490    #kJ/mol        
-     # Enthalpy of formation:           -1684        #kJ/mol        #01KON2
-     -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0
+Cm2O3 = -6 H+ + 2 Cm+3 + 3 H2O
+      log_k 52.97
+      delta_h -403.49 #kJ/mol
+#     Enthalpy of formation: -1684.000 kJ/mol  01KON2
+      -analytic -17.71841E+0 00E+0 21.07575E+3 00E+0 00E+0
 
 CmCl3(cr)
-CmCl3     = 3.000Cl-     + 1.000Cm+3
-     log_k    15.070     
-     delta_h -141.840    #kJ/mol        
-     # Enthalpy of formation:           -974.4        #kJ/mol        #85BAR/PAR
-     -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0
+CmCl3 = 3 Cl- + Cm+3
+      log_k 15.07
+      delta_h -141.84 #kJ/mol
+#     Enthalpy of formation: -974.400  kJ/mol  85BAR/PAR
+      -analytic -97.79301E-1 00E+0 74.08819E+2 00E+0 00E+0
+
+CmCO3OH(cr)
+Cm(CO3)(OH) = - H+ + CO3-2 + Cm+3 + H2O
+      log_k -10.34 #Estimation. Correlation with An(III).
+      -analytic -10.34E+0 00E+0 00E+0 00E+0 00E+0
+
+CmCO3OH(s)
+CmOHCO3 = - H+ + CO3-2 + Cm+3 + H2O
+      log_k -6.15 #Estimated using the data for AmCO3OH(s).
+      -analytic -61.5E-1 00E+0 00E+0 00E+0 00E+0
+
+CmCO3OH:0.5H2O(s)
+Cm(CO3)(OH):0.5H2O = - H+ + CO3-2 + Cm+3 + 1.5 H2O
+      log_k -7.72 #Estimated by correlation with An(III) in function of ionic radii.
+      -analytic -77.2E-1 00E+0 00E+0 00E+0 00E+0
 
 CmF3(cr)
-CmF3     = 3.000F-     + 1.000Cm+3
-     log_k   -13.160     
-     delta_h  -32.036    #kJ/mol        
-     # Enthalpy of formation:           -1589.014        #kJ/mol        #estimated by 97SVE/SHO equation
-     -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0
+CmF3 = 3 F- + Cm+3
+      log_k -13.16
+      delta_h -32.036 #kJ/mol
+#     Enthalpy of formation: -1589.014 kJ/mol  estimated by 97SVE/SHO equation
+      -analytic -18.77247E+0 00E+0 16.73357E+2 00E+0 00E+0
 
 CmOCl(cr)
-CmOCl     = - 2.000H+     + 1.000Cl-     + 1.000Cm+3     + 1.000H2O
-     log_k     9.490     
-     delta_h -104.710    #kJ/mol        
-     # Enthalpy of formation:           -963.2        #kJ/mol        #85BAR/PAR
-     -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0
-
-CmOHCO3(am)
-CmOHCO3     = - 1.000H+     + 1.000CO3-2     + 1.000Cm+3     + 1.000H2O
-     log_k    -6.120     #estimated in anlogy with Ln(III) and Am(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0
-
-Co(FeO2)2(alpha)
-Co(FeO2)2     = 2.000Fe+3     + 1.000Co+2     - 8.000H+     + 4.000H2O
-     log_k     0.770     
-     delta_h -159.200    #kJ/mol        
-     # Enthalpy of formation:           -1139.72        #kJ/mol        #74NAU/RYZ
-     -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0
-
-Co(OH)2(s,blue)
-Co(OH)2     = 1.000Co+2     - 2.000H+     + 2.000H2O
-     log_k    13.800     #98PLY/ZHA1
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
-
-Co(OH)2(s,rose1)
-Co(OH)2     = 1.000Co+2     - 2.000H+     + 2.000H2O
-     log_k    12.200     #98PLY/ZHA1
-     delta_h  -88.460    #kJ/mol        
-     # Enthalpy of formation:           -540.8        #kJ/mol        #98PLY/ZHA1
-     -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0
-
-Co(OH)2(s,rose2)
-Co(OH)2     = 1.000Co+2     - 2.000H+     + 2.000H2O
-     log_k    13.200     #98PLY/ZHA1
-     delta_h  -93.560    #kJ/mol        
-     # Enthalpy of formation:           -535.7        #kJ/mol        #98PLY/ZHA1
-     -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0
-
-Co(SeO3):2H2O(s)
-Co(SeO3):2H2O     = 1.000Co+2     + 1.000SeO3-2     + 2.000H2O
-     log_k    -7.900     #05OLI/NOL
-     delta_h  -20.860    #kJ/mol        
-     # Enthalpy of formation:           -1115.56        #kJ/mol        #05OLI/NOL
-     -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0
-
-Co(SeO4):6H2O(s)
-Co(SeO4):6H2O     = 1.000Co+2     + 1.000SeO4-2     + 6.000H2O
-     log_k    -1.760     #05OLI/NOL
-     delta_h  -3.299     #kJ/mol        
-     # Enthalpy of formation:           -2372.781        #kJ/mol        
-     -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0
+CmOCl = -2 H+ + Cl- + Cm+3 + H2O
+      log_k 9.49
+      delta_h -104.71 #kJ/mol
+#     Enthalpy of formation: -963.200  kJ/mol  85BAR/PAR
+      -analytic -88.54405E-1 00E+0 54.69384E+2 00E+0 00E+0
 
 Co(cr)
-Co     = 1.000Co+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    52.730     
-     delta_h -337.363    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0
+Co = Co+2 + 2 e-
+      log_k 9.74
+      delta_h -57.6 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  87FER
+      -analytic -35.10868E-2 00E+0 30.08658E+2 00E+0 00E+0
+
+Co(FeO2)2(alpha)
+Co(FeO2)2 = 2 Fe+3 + Co+2 - 8 H+ + 4 H2O
+      log_k 0.73
+      delta_h -161.312 #kJ/mol
+#     Enthalpy of formation: -1139.720 kJ/mol  74NAU/RYZ
+      -analytic -27.53065E+0 00E+0 84.25913E+2 00E+0 00E+0
+
+Co(OH)2(s,blue)
+Co(OH)2 = Co+2 - 2 H+ + 2 H2O
+      log_k 13.8 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1).
+      -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0
+
+Co(OH)2(s,rose1)
+Co(OH)2 = Co+2 - 2 H+ + 2 H2O
+      log_k 12.2 #98PLY/ZHA1
+      delta_h -88.46 #kJ/mol
+#     Enthalpy of formation: -540.800  kJ/mol  98PLY/ZHA1
+      -analytic -32.97527E-1 00E+0 46.20588E+2 00E+0 00E+0
+
+Co(OH)2(s,rose2)
+Co(OH)2 = Co+2 - 2 H+ + 2 H2O
+      log_k 13.2 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1).
+      delta_h -93.56 #kJ/mol
+#     Enthalpy of formation: -535.700  kJ/mol  98PLY/ZHA1
+      -analytic -31.91008E-1 00E+0 48.86979E+2 00E+0 00E+0
+
+Co(SeO3):2H2O(s)
+Co(SeO3):2H2O = Co+2 + SeO3-2 + 2 H2O
+      log_k -7.9 #05OLI/NOL
+      delta_h -20.86 #kJ/mol
+#     Enthalpy of formation: -1115.560 kJ/mol  05OLI/NOL
+      -analytic -11.55452E+0 00E+0 10.89594E+2 00E+0 00E+0
+
+Co(SeO4):6H2O(s)
+Co(SeO4):6H2O = Co+2 + SeO4-2 + 6 H2O
+      log_k -1.76 #05OLI/NOL
+      delta_h -3.4 #kJ/mol
+#     Enthalpy of formation: -2372.678 kJ/mol
+      -analytic -23.55654E-1 00E+0 17.75944E+1 00E+0 00E+0
 
 Co0.84Se(cr)
-Co0.84Se     = 0.840Co+2     - 0.680H+     + 1.000HSe-     - 0.160H2O     + 0.080O2
-     log_k   -16.178     
-     delta_h  66.078     #kJ/mol        
-     # Enthalpy of formation:           -55.4        #kJ/mol        #05OLI/NOL
-     -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0
+Co0.84Se = 0.84 Co+2 - H+ - 0.32 e- + HSe-
+      log_k -9.3
+      delta_h 21.316 #kJ/mol
+#     Enthalpy of formation: -55.400   kJ/mol  05OLI/NOL
+      -analytic -55.65597E-1 00E+0 -11.13412E+2 00E+0 00E+0
 
 Co2SiO4(s)
-Co2SiO4     = 2.000Co+2     - 4.000H+     + 1.000H4(SiO4)
-     log_k     7.350     
-     delta_h  -99.394    #kJ/mol        
-     # Enthalpy of formation:           -1477        #kJ/mol        #82WAG/EVA
-     -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0
+Co2SiO4 = 2 Co+2 - 4 H+ + H4(SiO4)
+      log_k 7.35
+      delta_h -99.394 #kJ/mol
+#     Enthalpy of formation: -1477.000 kJ/mol  82WAG/EVA
+      -analytic -10.06308E+0 00E+0 51.9171E+2 00E+0 00E+0
 
 Co3(AsO4)2(s)
-Co3(AsO4)2     = 3.000Co+2     + 2.000AsO4-3
-     log_k   -27.560     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0
+Co3(AsO4)2 = 3 Co+2 + 2 AsO4-3
+      log_k -27.56
+      -analytic -27.56E+0 00E+0 00E+0 00E+0 00E+0
 
 Co3(PO4)2(s)
-Co3(PO4)2     = 3.000Co+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k     4.360     #84VIE/TAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
+Co3(PO4)2 = 3 Co+2 - 4 H+ + 2 H2(PO4)-
+      log_k 4.36 #84VIE/TAR
+      -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0
 
 Co3O4(s)
-Co3O4     = 3.000Co+2     - 6.000H+     + 3.000H2O     + 0.500O2
-     log_k    11.870     
-     delta_h -117.537    #kJ/mol        
-     # Enthalpy of formation:           -918.8        #kJ/mol        #95ROB/HEM
-     -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0
+Co3O4 = 3 Co+2 - 8 H+ - 2 e- + 4 H2O
+      log_k 54.86
+      delta_h -397.32 #kJ/mol
+#     Enthalpy of formation: -918.800  kJ/mol  95ROB/HEM
+      -analytic -14.74748E+0 00E+0 20.75347E+3 00E+0 00E+0
 
 CoCl2(s)
-CoCl2     = 1.000Co+2     + 2.000Cl-
-     log_k     8.470     
-     delta_h  -79.220    #kJ/mol        
-     # Enthalpy of formation:           -312.54        #kJ/mol        #98CHA
-     -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0
+CoCl2 = Co+2 + 2 Cl-
+      log_k 8.47
+      delta_h -79.22 #kJ/mol
+#     Enthalpy of formation: -312.540  kJ/mol  98CHA
+      -analytic -54.08748E-1 00E+0 41.37949E+2 00E+0 00E+0
 
 CoCl2:6H2O(s)
-CoCl2:6H2O     = 1.000Co+2     + 2.000Cl-     + 6.000H2O
-     log_k     2.540     #97MAR/SMI
-     delta_h   8.060     #kJ/mol        #97MAR/SMI
-     # Enthalpy of formation:           -2114.8        #kJ/mol        
-     -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0
+CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
+      log_k 2.54 #97MAR/SMI
+      delta_h 8.06 #kJ/mol 97MAR/SMI
+#     Enthalpy of formation: -2114.800 kJ/mol
+      -analytic 39.52051E-1 00E+0 -42.10031E+1 00E+0 00E+0
 
 CoF2(s)
-CoF2     = 1.000Co+2     + 2.000F-
-     log_k    -1.390     
-     delta_h  -56.770    #kJ/mol        
-     # Enthalpy of formation:           -671.53        #kJ/mol        #98CHA
-     -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0
-
-CoHPO4(s)
-CoHPO4     = 1.000Co+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k     0.490     #84VIE/TAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0
-
-CoO(s)
-CoO     = 1.000Co+2     - 2.000H+     + 1.000H2O
-     log_k    13.770     
-     delta_h -105.530    #kJ/mol        
-     # Enthalpy of formation:           -237.9        #kJ/mol        #95ROB/HEM
-     -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0
-
-CoS(alpha)
-CoS     = 1.000Co+2     - 1.000H+     + 1.000HS-
-     log_k    -7.440     #90DYR/KRE
-     delta_h  11.836     #kJ/mol        
-     # Enthalpy of formation:           -85.736        #kJ/mol        
-     -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0
-
-CoS(beta)
-CoS     = 1.000Co+2     - 1.000H+     + 1.000HS-
-     log_k   -11.070     #90DYR/KRE
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0
-
-CoSO4(s)
-CoSO4     = 1.000Co+2     + 1.000SO4-2
-     log_k     3.010     
-     delta_h  -78.680    #kJ/mol        
-     # Enthalpy of formation:           -888.26        #kJ/mol        #98CHA
-     -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0
-
-CoSO4:6H2O(s)
-CoSO4:6H2O     = 1.000Co+2     + 1.000SO4-2     + 6.000H2O
-     log_k    -2.200     
-     delta_h   1.570     #kJ/mol        
-     # Enthalpy of formation:           -2683.49        #kJ/mol        #74NAU/RYZ
-     -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0
-
-CoSO4:H2O(s)
-CoSO4:H2O     = 1.000Co+2     + 1.000SO4-2     + 1.000H2O
-     log_k    -1.050     
-     delta_h  -52.050    #kJ/mol        
-     # Enthalpy of formation:           -1200.72        #kJ/mol        #74NAU/RYZ
-     -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0
-
-CoSe2(cr)
-CoSe2     = 1.000Co+2     + 2.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -66.080     
-     delta_h  356.263    #kJ/mol        
-     # Enthalpy of formation:           -105.5        #kJ/mol        #05OLI/NOL
-     -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0
+CoF2 = Co+2 + 2 F-
+      log_k -1.39
+      delta_h -56.77 #kJ/mol
+#     Enthalpy of formation: -671.530  kJ/mol  98CHA
+      -analytic -11.33568E+0 00E+0 29.65304E+2 00E+0 00E+0
 
 Coffinite
-U(SiO4)     = 1.000U+4     - 4.000H+     + 1.000H4(SiO4)
-     log_k    -7.800     
-     delta_h  -61.070    #kJ/mol        
-     # Enthalpy of formation:           -1991.326        #kJ/mol        
-     -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0
+U(SiO4) = U+4 - 4 H+ + H4(SiO4)
+      log_k -4.47
+      delta_h -78.577 #kJ/mol
+#     Enthalpy of formation: -1973.817 kJ/mol
+      -analytic -18.2361E+0 00E+0 41.04363E+2 00E+0 00E+0
 
-Coffinite(am)
-U(SiO4)      = 1.000U+4     - 4.000H+     + 1.000H4(SiO4)
-     log_k    -1.500     #Estimation based on NEA Guidelines
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
+CoHPO4(s)
+CoHPO4 = Co+2 - H+ + H2(PO4)-
+      log_k 0.49 #84VIE/TAR
+      -analytic 49E-2 00E+0 00E+0 00E+0 00E+0
 
 Compreignacite
-K2(UO2)6O4(OH)6:7H2O     = 2.000K+     + 6.000UO2+2     - 14.000H+     + 17.000H2O
-     log_k    35.800     #08GOR/FEI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0
+K2(UO2)6O4(OH)6:7H2O = 2 K+ + 6 UO2+2 - 14 H+ + 17 H2O
+      log_k 35.8 #08GOR/FEI
+      -analytic 35.8E+0 00E+0 00E+0 00E+0 00E+0
+
+CoO(s)
+CoO = Co+2 - 2 H+ + H2O
+      log_k 13.77
+      delta_h -105.53 #kJ/mol
+#     Enthalpy of formation: -237.900  kJ/mol  95ROB/HEM
+      -analytic -47.18062E-1 00E+0 55.12216E+2 00E+0 00E+0
 
 Corundum
-Al2O3     = 2.000Al+3     - 6.000H+     + 3.000H2O
-     log_k    18.300     
-     delta_h -258.590    #kJ/mol        
-     # Enthalpy of formation:           -1675.7        #kJ/mol        #89COX/WAG
-     -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0
+Al2O3 = 2 Al+3 - 6 H+ + 3 H2O
+      log_k 18.3
+      delta_h -258.59 #kJ/mol
+#     Enthalpy of formation: -1675.700 kJ/mol  89COX/WAG
+      -analytic -27.00302E+0 00E+0 13.5071E+3 00E+0 00E+0
+
+CoS(alpha)
+CoS = Co+2 - H+ + HS-
+      log_k -7.44 #90DYR/KRE
+      delta_h 11.836 #kJ/mol
+#     Enthalpy of formation: -85.735   kJ/mol
+      -analytic -53.66422E-1 00E+0 -61.82373E+1 00E+0 00E+0
+
+CoS(beta)
+CoS = Co+2 - H+ + HS-
+      log_k -11.07 #90DYR/KRE
+      -analytic -11.07E+0 00E+0 00E+0 00E+0 00E+0
+
+CoSe2(cr)
+CoSe2 = Co+2 - 2 H+ - 2 e- + 2 HSe-
+      log_k -23.09
+      delta_h 76.5 #kJ/mol
+#     Enthalpy of formation: -105.500  kJ/mol  05OLI/NOL
+      -analytic -96.87775E-1 00E+0 -39.95873E+2 00E+0 00E+0
+
+CoSO4(s)
+CoSO4 = Co+2 + SO4-2
+      log_k 3.01
+      delta_h -78.68 #kJ/mol
+#     Enthalpy of formation: -888.260  kJ/mol  98CHA
+      -analytic -10.77414E+0 00E+0 41.09743E+2 00E+0 00E+0
+
+CoSO4:6H2O(s)
+CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
+      log_k -2.2
+      delta_h 1.57 #kJ/mol
+#     Enthalpy of formation: -2683.490 kJ/mol  74NAU/RYZ
+      -analytic -19.24948E-1 00E+0 -82.00681E+0 00E+0 00E+0
+
+CoSO4:H2O(s)
+CoSO4:H2O = Co+2 + SO4-2 + H2O
+      log_k -1.05
+      delta_h -52.05 #kJ/mol
+#     Enthalpy of formation: -1200.720 kJ/mol  74NAU/RYZ
+      -analytic -10.16877E+0 00E+0 27.18761E+2 00E+0 00E+0
 
 Cotunnite
-PbCl2     = 1.000Pb+2     + 2.000Cl-
-     log_k    -4.810     
-     delta_h  26.160     #kJ/mol        
-     # Enthalpy of formation:           -359.4        #kJ/mol        #98CHA
-     -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0
+PbCl2 = Pb+2 + 2 Cl-
+      log_k -4.81
+      delta_h 26.16 #kJ/mol
+#     Enthalpy of formation: -359.400  kJ/mol  98CHA
+      -analytic -22.69647E-2 00E+0 -13.66432E+2 00E+0 00E+0
 
-Cr(OH)2(H2PO4)(s)
-Cr(OH)2(H2PO4)     = 1.000H2(PO4)-     + 1.000Cr+3     + 2.000H2O     - 2.000H+
-     log_k     0.890     #04RAI/MOO
-     delta_h  -5.080     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0
+Covellite
+CuS = Cu+2 - H+ + HS-
+      log_k -22.06 #94THO/HEL
+      delta_h 97.475 #kJ/mol
+#     Enthalpy of formation: -48.875   kJ/mol
+      -analytic -49.83113E-1 00E+0 -50.91474E+2 00E+0 00E+0
+
+Cr(cr)
+Cr = 8 H+ + 6 e- + CrO4-2 - 4 H2O
+      log_k -39.31
+      delta_h 264.32 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  98CHA, 04CHI
+      -analytic 69.96876E-1 00E+0 -13.8064E+3 00E+0 00E+0
 
 Cr(OH)2(cr)
-Cr(OH)2     = - 2.000H+     + 1.000Cr+2     + 2.000H2O
-     log_k    11.000     #41HUM/STO, 04CHI
-     delta_h  -75.459    #kJ/mol        
-     # Enthalpy of formation:           -653.82        #kJ/mol        
-     -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0
+Cr(OH)2 = -2 H+ + Cr+2 + 2 H2O
+      log_k 11 #41HUM/STO, 04CHI
+      delta_h -75.459 #kJ/mol
+#     Enthalpy of formation: -653.814  kJ/mol
+      -analytic -22.19849E-1 00E+0 39.41498E+2 00E+0 00E+0
+
+Cr(OH)2(H2PO4)(s)
+Cr(OH)2(H2PO4) = -2 H+ + H2(PO4)- + Cr+3 + 2 H2O
+      log_k 0.89 #04RAI/MOO
+      -analytic 89E-2 00E+0 00E+0 00E+0 00E+0
 
 Cr(OH)3(cr)
-Cr(OH)3     = - 3.000H+     + 1.000Cr+3     + 3.000H2O
-     log_k     7.500     #04RAI/MOO
-     delta_h -104.751    #kJ/mol        
-     # Enthalpy of formation:           -993.238        #kJ/mol        
-     -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0
-
-Cr(s)
-Cr     = 2.000H+     + 1.000CrO4-2     - 1.000H2O     - 1.500O2
-     log_k    89.660     
-     delta_h -574.989    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0
+Cr(OH)3 = -3 H+ + Cr+3 + 3 H2O
+      log_k 7.5 #04RAI/MOO
+      delta_h -104.751 #kJ/mol
+#     Enthalpy of formation: -993.239  kJ/mol
+      -analytic -10.85159E+0 00E+0 54.71526E+2 00E+0 00E+0
 
 Cr2(SO4)3(s)
-Cr2(SO4)3     = 3.000SO4-2     + 2.000Cr+3
-     log_k     4.380     
-     delta_h -277.720    #kJ/mol        
-     # Enthalpy of formation:           -2931.3        #kJ/mol        #91KNA/KUB
-     -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0
+Cr2(SO4)3 = 3 SO4-2 + 2 Cr+3
+      log_k 4.38
+      delta_h -277.72 #kJ/mol
+#     Enthalpy of formation: -2931.300 kJ/mol  91KNA/KUB
+      -analytic -44.27446E+0 00E+0 14.50633E+3 00E+0 00E+0
 
 Cr2O3(cr)
-Cr2O3     = - 6.000H+     + 2.000Cr+3     + 3.000H2O
-     log_k     7.750     
-     delta_h -198.000    #kJ/mol        
-     # Enthalpy of formation:           -1140.5        #kJ/mol        #04CHI
-     -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0
+Cr2O3 = -6 H+ + 2 Cr+3 + 3 H2O
+      log_k 7.75
+      delta_h -197.99 #kJ/mol
+#     Enthalpy of formation: -1140.500 kJ/mol  04CHI
+      -analytic -26.93636E+0 00E+0 10.34174E+3 00E+0 00E+0
 
 Cr2S3(s)
-Cr2S3     = - 3.000H+     + 3.000HS-     + 2.000Cr+3
-     log_k     3.260     
-     delta_h -195.200    #kJ/mol        
-     # Enthalpy of formation:           -334.7        #kJ/mol        #84PAN
-     -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0
+Cr2S3 = -3 H+ + 3 HS- + 2 Cr+3
+      log_k 3.26
+      delta_h -195.2 #kJ/mol
+#     Enthalpy of formation: -334.700  kJ/mol  84PAN
+      -analytic -30.93757E+0 00E+0 10.19601E+3 00E+0 00E+0
 
 CrCl2(cr)
-CrCl2     = 2.000Cl-     + 1.000Cr+2
-     log_k    12.730     
-     delta_h -103.500    #kJ/mol        
-     # Enthalpy of formation:           -388.3        #kJ/mol        #98BAL/NOR
-     -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0
+CrCl2 = 2 Cl- + Cr+2
+      log_k 12.73
+      delta_h -103.474 #kJ/mol
+#     Enthalpy of formation: -388.300  kJ/mol  98BAL/NOR
+      -analytic -53.97867E-1 00E+0 54.04823E+2 00E+0 00E+0
 
 CrCl3(cr)
-CrCl3     = 3.000Cl-     + 1.000Cr+3
-     log_k    20.190     
-     delta_h -197.300    #kJ/mol        
-     # Enthalpy of formation:           -544.4        #kJ/mol        #98BAL/NOR
-     -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0
-
-CrO2(cr)
-CrO2     = 2.000H+     + 1.000CrO4-2     - 1.000H2O     - 0.500O2
-     log_k    -8.690     
-     delta_h  10.797     #kJ/mol        
-     # Enthalpy of formation:           -597.9        #kJ/mol        #93BAR, 04CHI
-     -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0
-
-CrO3(cr)
-CrO3     = 2.000H+     + 1.000CrO4-2     - 1.000H2O
-     log_k    -3.020     
-     delta_h  -10.070    #kJ/mol        
-     # Enthalpy of formation:           -583.1        #kJ/mol        #98BAL/NOR, 04CHI
-     -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0
-
-CrPO4(green)
-CrPO4     = - 2.000H+     + 1.000H2(PO4)-     + 1.000Cr+3
-     log_k    -3.060     #51ZHA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0
-
-CrPO4(purple)
-CrPO4     = - 2.000H+     + 1.000H2(PO4)-     + 1.000Cr+3
-     log_k     2.560     #51ZHA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
-
-CrS(s)
-CrS     = - 1.000H+     + 1.000HS-     + 1.000Cr+2
-     log_k     1.660     
-     delta_h  -38.800    #kJ/mol        
-     # Enthalpy of formation:           -135.143        #kJ/mol        #84PAN
-     -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0
+CrCl3 = 3 Cl- + Cr+3
+      log_k 20.19
+      delta_h -197.34 #kJ/mol
+#     Enthalpy of formation: -544.400  kJ/mol  98BAL/NOR
+      -analytic -14.38248E+0 00E+0 10.30779E+3 00E+0 00E+0
 
 Cristobalite
-SiO2     = 1.000H4(SiO4)     - 2.000H2O
-     log_k    -3.160     
-     delta_h  16.500     #kJ/mol        
-     # Enthalpy of formation:           -906.034        #kJ/mol        #04FAB/SAX
-     -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0
+SiO2 = H4(SiO4) - 2 H2O
+      log_k -3.16
+      delta_h 16.5 #kJ/mol
+#     Enthalpy of formation: -906.034  kJ/mol  04FAB/SAX
+      -analytic -26.93241E-2 00E+0 -86.1855E+1 00E+0 00E+0
+
+CrO2(cr)
+CrO2 = 4 H+ + 2 e- + CrO4-2 - 2 H2O
+      log_k -51.68
+      delta_h 290.56 #kJ/mol
+#     Enthalpy of formation: -597.900  kJ/mol  93BAR, 04CHI
+      -analytic -77.60731E-2 00E+0 -15.17701E+3 00E+0 00E+0
+
+CrO3(cr)
+CrO3 = 2 H+ + CrO4-2 - H2O
+      log_k -3.02
+      delta_h -10.07 #kJ/mol
+#     Enthalpy of formation: -583.100  kJ/mol  98BAL/NOR, 04CHI
+      -analytic -47.84188E-1 00E+0 52.59927E+1 00E+0 00E+0
 
 Crocoite
-PbCrO4     = 1.000Pb+2     + 1.000CrO4-2
-     log_k   -12.550     #42KOL/PER
-     delta_h  48.940     #kJ/mol        
-     # Enthalpy of formation:           -927.02        #kJ/mol        #75DEL/MCC
-     -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0
+PbCrO4 = Pb+2 + CrO4-2
+      log_k -12.55 #42KOL/PER
+      delta_h 48.94 #kJ/mol
+#     Enthalpy of formation: -927.020  kJ/mol  75DEL/MCC
+      -analytic -39.7608E-1 00E+0 -25.56314E+2 00E+0 00E+0
 
 Cronstedtite-Th
-Fe4SiO5(OH)4     = 2.000Fe+3     + 2.000Fe+2     - 10.000H+     + 1.000H4(SiO4)     + 5.000H2O
-     log_k    16.110     
-     delta_h -253.794    #kJ/mol        
-     # Enthalpy of formation:           -2914.55        #kJ/mol        #15BLA/VIE
-     -analytic -2.83527E+1 0E+0 1.32566E+4 0E+0 0E+0
+Fe4SiO5(OH)4 = 2 Fe+3 + 2 Fe+2 - 10 H+ + H4(SiO4) + 5 H2O
+      log_k 16.11
+      delta_h -256.496 #kJ/mol
+#     Enthalpy of formation: -2914.550 kJ/mol  15BLA/VIE
+      -analytic -28.82617E+0 00E+0 13.39772E+3 00E+0 00E+0
+      -Vm 76.8
 
-Cs(s)
-Cs     = 1.000Cs+     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    72.555     
-     delta_h -397.882    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0
+CrPO4(green)
+CrPO4 = -2 H+ + H2(PO4)- + Cr+3
+      log_k -3.06 #51ZHA
+      -analytic -30.6E-1 00E+0 00E+0 00E+0 00E+0
+
+CrPO4(purple)
+CrPO4 = -2 H+ + H2(PO4)- + Cr+3
+      log_k 2.56 #51ZHA
+      -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0
+
+CrS(s)
+CrS = - H+ + HS- + Cr+2
+      log_k 1.66
+      delta_h -38.771 #kJ/mol
+#     Enthalpy of formation: -135.143  kJ/mol  84PAN
+      -analytic -51.32388E-1 00E+0 20.2515E+2 00E+0 00E+0
+
+Cs(cr)
+Cs = Cs+ + e-
+      log_k 51.06
+      delta_h -258 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic 58.6034E-1 00E+0 13.47628E+3 00E+0 00E+0
 
 Cs2(CO3)(s)
-Cs2(CO3)     = 2.000Cs+     + 1.000CO3-2
-     log_k     9.900     
-     delta_h  -55.348    #kJ/mol        
-     # Enthalpy of formation:           -1135.882        #kJ/mol        
-     -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0
+Cs2(CO3) = 2 Cs+ + CO3-2
+      log_k 9.9
+      delta_h -53.609 #kJ/mol
+#     Enthalpy of formation: -1137.620 kJ/mol
+      -analytic 50.81064E-2 00E+0 28.00193E+2 00E+0 00E+0
 
 Cs2(SO4)(s)
-Cs2(SO4)     = 2.000Cs+     + 1.000SO4-2
-     log_k     0.580     
-     delta_h  17.756     #kJ/mol        
-     # Enthalpy of formation:           -1443.096        #kJ/mol        
-     -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0
+Cs2(SO4) = 2 Cs+ + SO4-2
+      log_k 0.58
+      delta_h 17.769 #kJ/mol
+#     Enthalpy of formation: -1443.108 kJ/mol
+      -analytic 36.92995E-1 00E+0 -92.81395E+1 00E+0 00E+0
 
 Cs2MoO4(s)
-Cs2MoO4     = 2.000Cs+     + 1.000MoO4-2
-     log_k     2.210     
-     delta_h   1.581     #kJ/mol        
-     # Enthalpy of formation:           -1514.581        #kJ/mol        
-     -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0
+Cs2MoO4 = 2 Cs+ + MoO4-2
+      log_k 2.21
+      delta_h 1.731 #kJ/mol
+#     Enthalpy of formation: -1514.730 kJ/mol
+      -analytic 25.13258E-1 00E+0 -90.41643E+0 00E+0 00E+0
 
 Cs2O(s)
-Cs2O     = 2.000Cs+     - 2.000H+     + 1.000H2O
-     log_k    89.680     
-     delta_h -456.100    #kJ/mol        
-     # Enthalpy of formation:           -345.73        #kJ/mol        
-     -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0
+Cs2O = 2 Cs+ - 2 H+ + H2O
+      log_k 89.68
+      delta_h -456.069 #kJ/mol
+#     Enthalpy of formation: -345.759  kJ/mol
+      -analytic 97.80141E-1 00E+0 23.82214E+3 00E+0 00E+0
 
 CsBr(cr)
-CsBr     = 1.000Cs+     + 1.000Br-
-     log_k     0.720     
-     delta_h  26.190     #kJ/mol        
-     # Enthalpy of formation:           -405.6        #kJ/mol        #01LEM/FUG
-     -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0
+CsBr = Cs+ + Br-
+      log_k 0.72
+      delta_h 26.19 #kJ/mol
+#     Enthalpy of formation: -405.600  kJ/mol  01LEM/FUG
+      -analytic 53.08291E-1 00E+0 -13.67999E+2 00E+0 00E+0
 
 CsCl(cr)
-CsCl      = 1.000Cs+     + 1.000Cl-
-     log_k     1.550     
-     delta_h  17.230     #kJ/mol        
-     # Enthalpy of formation:           -442.31        #kJ/mol        #01LEM/FUG
-     -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0
+CsCl = Cs+ + Cl-
+      log_k 1.55
+      delta_h 17.23 #kJ/mol
+#     Enthalpy of formation: -442.310  kJ/mol  01LEM/FUG
+      -analytic 45.68566E-1 00E+0 -89.99856E+1 00E+0 00E+0
 
-Cu(SeO3):2H2O(s)
-Cu(SeO3):2H2O     = 1.000Cu+2     + 1.000SeO3-2     + 2.000H2O
-     log_k    -9.500     #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL
-     delta_h  -15.320    #kJ/mol        
-     # Enthalpy of formation:           -998.6        #kJ/mol        #05OLI/NOL
-     -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0
+CSH0.8
+Ca0.8SiO2.8:1.54H2O = 0.8 Ca+2 - 1.6 H+ + H4(SiO4) + 0.34 H2O
+      log_k 11.05 #10BLA/BOU1
+      delta_h -47.646 #kJ/mol
+#     Enthalpy of formation: -1945.130 kJ/mol  10BLA/BOU1
+      -analytic 27.02779E-1 00E+0 24.88724E+2 00E+0 00E+0
+      -Vm 59.29
 
-Cu(SeO4):5H2O(s)
-Cu(SeO4):5H2O     = 1.000Cu+2     + 1.000SeO4-2     + 5.000H2O
-     log_k    -2.440     #05OLI/NOL
-     delta_h   5.580     #kJ/mol        
-     # Enthalpy of formation:           -1973.33        #kJ/mol        #05OLI/NOL
-     -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0
+CSH1.2
+Ca1.2SiO3.2:2.06H2O = 1.2 Ca+2 - 2.4 H+ + H4(SiO4) + 1.26 H2O
+      log_k 19.3 #10BLA/BOU1
+      delta_h -88.6 #kJ/mol
+#     Enthalpy of formation: -2384.340 kJ/mol  10BLA/BOU1
+      -analytic 37.77946E-1 00E+0 46.279E+2 00E+0 00E+0
+      -Vm 71.95
+
+CSH1.6
+Ca1.6SiO3.6:2.58H2O = 1.6 Ca+2 - 3.2 H+ + H4(SiO4) + 2.18 H2O
+      log_k 28 #10BLA/BOU1
+      delta_h -133.313 #kJ/mol
+#     Enthalpy of formation: -2819.790 kJ/mol  10BLA/BOU1
+      -analytic 46.44565E-1 00E+0 69.63423E+2 00E+0 00E+0
+      -Vm 84.68
 
 Cu(cr)
-Cu     = 1.000Cu+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    31.600     
-     delta_h -214.863    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #01LEM/FUG
-     -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0
+Cu = Cu+2 + 2 e-
+      log_k -11.39
+      delta_h 64.9 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  01LEM/FUG
+      -analytic -20.00807E-3 00E+0 -33.89963E+2 00E+0 00E+0
+
+Cu(OH)2(s)
+Cu(OH)2 = Cu+2 - 2 H+ + 2 H2O
+      log_k 8.64 #97BEV/PUI
+      delta_h -62.764 #kJ/mol
+#     Enthalpy of formation: -443.996  kJ/mol
+      -analytic -23.55781E-1 00E+0 32.78392E+2 00E+0 00E+0
+
+Cu(SeO3):2H2O(s)
+Cu(SeO3):2H2O = Cu+2 + SeO3-2 + 2 H2O
+      log_k -9.5 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL
+      delta_h -15.32 #kJ/mol
+#     Enthalpy of formation: -998.600  kJ/mol  05OLI/NOL
+      -analytic -12.18395E+0 00E+0 80.02193E+1 00E+0 00E+0
+
+Cu(SeO4):5H2O(s)
+Cu(SeO4):5H2O = Cu+2 + SeO4-2 + 5 H2O
+      log_k -2.44 #05OLI/NOL
+      delta_h 5.58 #kJ/mol
+#     Enthalpy of formation: -1973.330 kJ/mol  05OLI/NOL
+      -analytic -14.62426E-1 00E+0 -29.14637E+1 00E+0 00E+0
+
+Cu1.75S(cr)
+Cu1.75S = 0.25 Cu+2 + 1.5 Cu+ - H+ + HS-
+      log_k -31.22 #94THO/HEL
+      delta_h 179.717 #kJ/mol
+#     Enthalpy of formation: -73.910   kJ/mol
+      -analytic 26.50669E-2 00E+0 -93.87273E+2 00E+0 00E+0
+
+Cu1.934S(cr)
+Cu1.934S = 0.066 Cu+2 + 1.868 Cu+ - H+ + HS-
+      log_k -33.33 #94THO/HEL
+      delta_h 198.224 #kJ/mol
+#     Enthalpy of formation: -78.382   kJ/mol
+      -analytic 13.97354E-1 00E+0 -10.35396E+3 00E+0 00E+0
+
+Cu2Cl(OH)3(am)
+Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O
+      log_k 7.46 #00PUI/TAX
+      delta_h -79.445 #kJ/mol 97LUB/KOL
+#     Enthalpy of formation: -815.325  kJ/mol
+      -analytic -64.58167E-1 00E+0 41.49701E+2 00E+0 00E+0
+
+Cu2Cl(OH)3(s)
+Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O
+      log_k 6.9 #97LUB/KOL
+      delta_h -79.445 #kJ/mol 97LUB/KOL
+#     Enthalpy of formation: -815.325  kJ/mol
+      -analytic -70.18167E-1 00E+0 41.49701E+2 00E+0 00E+0
+
+Cu2O(cr)
+Cu2O = 2 Cu+ - 2 H+ + H2O
+      log_k -0.62 #11PAL
+      delta_h 18.446 #kJ/mol
+#     Enthalpy of formation: -163.099  kJ/mol
+      -analytic 26.116E-1 00E+0 -96.35017E+1 00E+0 00E+0
 
 Cu2Se(alfa)
-Cu2Se     = 2.000Cu+     - 1.000H+     + 1.000HSe-
-     log_k   -45.890     #01SEB/POT2
-     delta_h  216.940    #kJ/mol        
-     # Enthalpy of formation:           -59.3        #kJ/mol        #05OLI/NOL
-     -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0
+Cu2Se = 2 Cu+ - H+ + HSe-
+      log_k -45.89 #01SEB/POT2
+      delta_h 214.778 #kJ/mol
+#     Enthalpy of formation: -59.300   kJ/mol  05OLI/NOL
+      -analytic -82.6251E-1 00E+0 -11.21864E+3 00E+0 00E+0
 
 Cu3(AsO4)2(s)
-Cu3(AsO4)2     = 3.000Cu+2     + 2.000AsO4-3
-     log_k   -34.880     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0
+Cu3(AsO4)2 = 3 Cu+2 + 2 AsO4-3
+      log_k -34.88
+      -analytic -34.88E+0 00E+0 00E+0 00E+0 00E+0
+
+CuCl(s)
+CuCl = Cu+ + Cl-
+      log_k -6.82 #97WAN/ZHA
+      delta_h 41.579 #kJ/mol
+#     Enthalpy of formation: -138.070  kJ/mol  85CHA/DAV
+      -analytic 46.43281E-2 00E+0 -21.71822E+2 00E+0 00E+0
+
+CuCO3(s)
+CuCO3 = Cu+2 + CO3-2
+      log_k -11.45 #99GRA/BER in 00PUI/TAX
+      delta_h -4.977 #kJ/mol
+#     Enthalpy of formation: -605.353  kJ/mol
+      -analytic -12.32193E+0 00E+0 25.99668E+1 00E+0 00E+0
+
+CuO(s)
+CuO = Cu+2 - 2 H+ + H2O
+      log_k 7.63 #21RIB/COL from 65SCH/ALT
+      delta_h -64.616 #kJ/mol
+#     Enthalpy of formation: -156.313  kJ/mol
+      -analytic -36.90237E-1 00E+0 33.75129E+2 00E+0 00E+0
 
 CuSe(alfa)
-CuSe     = 1.000Cu+2     - 1.000H+     + 1.000HSe-
-     log_k   -25.460     
-     delta_h  118.700    #kJ/mol        
-     # Enthalpy of formation:           -39.5        #kJ/mol        #05OLI/NOL
-     -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0
+CuSe = Cu+2 - H+ + HSe-
+      log_k -25.46
+      delta_h 118.7 #kJ/mol
+#     Enthalpy of formation: -39.500   kJ/mol  05OLI/NOL
+      -analytic -46.64653E-1 00E+0 -62.00133E+2 00E+0 00E+0
 
 CuSe(beta)
-CuSe     = 1.000Cu+2     - 1.000H+     + 1.000HSe-
-     log_k   -25.130     
-     delta_h  116.000    #kJ/mol        
-     # Enthalpy of formation:           -36.8        #kJ/mol        #05OLI/NOL
-     -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0
+CuSe = Cu+2 - H+ + HSe-
+      log_k -25.13
+      delta_h 116 #kJ/mol
+#     Enthalpy of formation: -36.800   kJ/mol  05OLI/NOL
+      -analytic -48.07672E-1 00E+0 -60.59102E+2 00E+0 00E+0
 
 Dawsonite
-NaAl(CO3)(OH)2     = 1.000Na+     + 1.000Al+3     - 2.000H+     + 1.000CO3-2     + 2.000H2O
-     log_k    -6.000     
-     delta_h  -61.630    #kJ/mol        
-     # Enthalpy of formation:           -1964        #kJ/mol        #76FER/STU
-     -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0
+NaAl(CO3)(OH)2 = Na+ + Al+3 - 2 H+ + CO3-2 + 2 H2O
+      log_k -6
+      delta_h -61.63 #kJ/mol
+#     Enthalpy of formation: -1964.000 kJ/mol  76FER/STU
+      -analytic -16.79711E+0 00E+0 32.19159E+2 00E+0 00E+0
+      -Vm 59.3
 
 Diaspore
-AlO(OH)     = 1.000Al+3     - 3.000H+     + 2.000H2O
-     log_k     6.860     
-     delta_h -108.760    #kJ/mol        
-     # Enthalpy of formation:           -1001.3        #kJ/mol        #95ROB/HEM
-     -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0
+AlO(OH) = Al+3 - 3 H+ + 2 H2O
+      log_k 6.87
+      delta_h -108.76 #kJ/mol
+#     Enthalpy of formation: -1001.300 kJ/mol  95ROB/HEM
+      -analytic -12.18393E+0 00E+0 56.8093E+2 00E+0 00E+0
 
 Dickite
-Al2Si2O5(OH)4     = 2.000Al+3     - 6.000H+     + 2.000H4(SiO4)     + 1.000H2O
-     log_k     9.390     
-     delta_h -185.218    #kJ/mol        
-     # Enthalpy of formation:           -4099.8        #kJ/mol        #03FIA/MAJ
-     -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0
+Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O
+      log_k 9.39
+      delta_h -185.218 #kJ/mol
+#     Enthalpy of formation: -4099.800 kJ/mol  03FIA/MAJ
+      -analytic -23.0588E+0 00E+0 96.7461E+2 00E+0 00E+0
 
 Dolomite
-CaMg(CO3)2      = 1.000Ca+2     + 1.000Mg+2     + 2.000CO3-2
-     log_k   -17.120     
-     delta_h  -35.960    #kJ/mol        
-     # Enthalpy of formation:           -2324.5        #kJ/mol        #95ROB/HEM
-     -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0
+CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+      log_k -17.13
+      delta_h -35.96 #kJ/mol
+#     Enthalpy of formation: -2324.500 kJ/mol  95ROB/HEM
+      -analytic -23.42992E+0 00E+0 18.78322E+2 00E+0 00E+0
+      -Vm 64.37
 
 Downeyite
-SeO2     = 2.000H+     + 1.000SeO3-2     - 1.000H2O
-     log_k    -8.150     
-     delta_h   4.060     #kJ/mol        
-     # Enthalpy of formation:           -225.39        #kJ/mol        #05OLI/NOL
-     -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0
+SeO2 = 2 H+ + SeO3-2 - H2O
+      log_k -8.15
+      delta_h 4.06 #kJ/mol
+#     Enthalpy of formation: -225.390  kJ/mol  05OLI/NOL
+      -analytic -74.38719E-1 00E+0 -21.20686E+1 00E+0 00E+0
 
 Eastonite
-KMg2Al3Si2O10(OH)2     = 2.000Mg+2     + 1.000K+     + 3.000Al+3     - 14.000H+     + 2.000H4(SiO4)     + 4.000H2O
-     log_k    46.320     
-     delta_h -518.108    #kJ/mol        
-     # Enthalpy of formation:           -6348.94        #kJ/mol        #98HOL/POW
-     -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0
+KMg2Al3Si2O10(OH)2 = 2 Mg+2 + K+ + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O
+      log_k 46.3
+      delta_h -518.108 #kJ/mol
+#     Enthalpy of formation: -6348.940 kJ/mol  98HOL/POW
+      -analytic -44.46863E+0 00E+0 27.06267E+3 00E+0 00E+0
+      -Vm 147.51
 
 Epsonite
-Mg(SO4):7H2O      = 1.000Mg+2     + 1.000SO4-2     + 7.000H2O
-     log_k    -1.880     #84HAR/MOL
-     delta_h  10.990     #kJ/mol        
-     # Enthalpy of formation:           -3388.14        #kJ/mol        
-     -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0
+Mg(SO4):7H2O = Mg+2 + SO4-2 + 7 H2O
+      log_k -1.88 #84HAR/MOL
+      delta_h 10.99 #kJ/mol
+#     Enthalpy of formation: -3388.138 kJ/mol
+      -analytic 45.36535E-3 00E+0 -57.40477E+1 00E+0 00E+0
 
 Ettringite
-Ca6Al2(SO4)3(OH)12:26H2O     = 6.000Ca+2     + 2.000Al+3     - 12.000H+     + 3.000SO4-2     + 38.000H2O
-     log_k    56.970     #10BLA/BOU2
-     delta_h -379.830    #kJ/mol        
-     # Enthalpy of formation:           -17544.53        #kJ/mol        #10BLA/BOU2
-     -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0
+Ca6Al2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 SO4-2 + 38 H2O
+      log_k 56.97 #10BLA/BOU2
+      delta_h -379.83 #kJ/mol
+#     Enthalpy of formation: -17544.530kJ/mol  10BLA/BOU2
+      -analytic -95.7336E-1 00E+0 19.8399E+3 00E+0 00E+0
+      -Vm 710.32
 
 Ettringite-Fe
-Ca6Fe2(SO4)3(OH)12:26H2O     = 6.000Ca+2     + 2.000Fe+3     - 12.000H+     + 3.000SO4-2     + 38.000H2O
-     log_k    54.550     #10BLA/BOU2
-     delta_h -343.754    #kJ/mol        
-     # Enthalpy of formation:           -16601.806        #kJ/mol        
-     -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0
-
-Eu(CO3)(OH)(cr)
-Eu(CO3)(OH)     = 1.000Eu+3     - 1.000H+     + 1.000CO3-2     + 1.000H2O
-     log_k    -9.630     
-     delta_h  -43.391    #kJ/mol        
-     # Enthalpy of formation:           -1523        #kJ/mol        #05ROR/FUG
-     -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0
-
-Eu(CO3)(OH):0.5H2O(s)
-Eu(CO3)(OH):0.5H2O     = 1.000Eu+3     - 1.000H+     + 1.000CO3-2     + 1.500H2O
-     log_k    -7.800     #95SPA/BRU
-     delta_h  -55.906    #kJ/mol        
-     # Enthalpy of formation:           -1653.4        #kJ/mol        #05ROR/FUG
-     -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0
-
-Eu(NO3)3:6H2O(s)
-Eu(NO3)3:6H2O     = 1.000Eu+3     + 3.000NO3-     + 6.000H2O
-     log_k     1.840     #95SPA/BRU
-     delta_h  16.839     #kJ/mol        
-     # Enthalpy of formation:           -2957.7        #kJ/mol        #82WAG/EVA
-     -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0
-
-Eu(OH)3(am)
-Eu(OH)3     = 1.000Eu+3     - 3.000H+     + 3.000H2O
-     log_k    17.600     #98DIA/RAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0
-
-Eu(OH)3(cr)
-Eu(OH)3     = 1.000Eu+3     - 3.000H+     + 3.000H2O
-     log_k    15.460     #98DIA/RAG
-     delta_h -127.542    #kJ/mol        
-     # Enthalpy of formation:           -1335.279        #kJ/mol        
-     -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0
-
-Eu(PO4):xH2O(s)
-Eu(PO4)     = 1.000Eu+3     - 2.000H+     + 1.000H2(PO4)-
-     log_k    -4.840     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0
+Ca6Fe2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Fe+3 - 12 H+ + 3 SO4-2 + 38 H2O
+      log_k 54.55 #10BLA/BOU2
+      delta_h -346.706 #kJ/mol
+#     Enthalpy of formation: -16600.951kJ/mol
+      -analytic -61.90284E-1 00E+0 18.10972E+3 00E+0 00E+0
+      -Vm 711.8
 
 Eu(cr)
-Eu     = 1.000Eu+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   165.125     
-     delta_h -1024.976   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA
-     -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0
+Eu = Eu+3 + 3 e-
+      log_k 100.64
+      delta_h -605.325 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA
+      -analytic -54.08388E-1 00E+0 31.61833E+3 00E+0 00E+0
 
-Eu2(CO3)3:3H2O(s)
-Eu2(CO3)3:3H2O     = 2.000Eu+3     + 3.000CO3-2     + 3.000H2O
-     log_k   -35.000     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0
+Eu(NO3)3:6H2O(s)
+Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O
+      log_k 1.84 #95SPA/BRU
+      delta_h 16.845 #kJ/mol
+#     Enthalpy of formation: -2957.700 kJ/mol  82WAG/EVA
+      -analytic 47.91117E-1 00E+0 -87.98756E+1 00E+0 00E+0
+
+Eu(OH)3(am)
+Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O
+      log_k 17.6 #98DIA/RAG
+      -analytic 17.6E+0 00E+0 00E+0 00E+0 00E+0
+
+Eu(OH)3(cr)
+Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O
+      log_k 15.46 #98DIA/RAG
+      delta_h -127.543 #kJ/mol
+#     Enthalpy of formation: -1335.272 kJ/mol
+      -analytic -68.84574E-1 00E+0 66.62035E+2 00E+0 00E+0
+
+Eu(PO4):xH2O(s)
+Eu(PO4) = Eu+3 - 2 H+ + H2(PO4)-
+      log_k -4.84 #95SPA/BRU
+      -analytic -48.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Eu2(CO3)3(s)
+Eu2(CO3)3 = 2 Eu+3 + 3 CO3-2
+      log_k -35 #95SPA/BRU
+      -analytic -35E+0 00E+0 00E+0 00E+0 00E+0
 
 Eu2(SO4)3:8H2O(s)
-Eu2(SO4)3:8H2O     = 2.000Eu+3     + 3.000SO4-2     + 8.000H2O
-     log_k   -10.200     #95SPA/BRU
-     delta_h  -90.974    #kJ/mol        
-     # Enthalpy of formation:           -6134.348        #kJ/mol        
-     -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0
+Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
+      log_k -10.2 #95SPA/BRU
+      delta_h -90.974 #kJ/mol
+#     Enthalpy of formation: -6134.332 kJ/mol
+      -analytic -26.13796E+0 00E+0 47.51903E+2 00E+0 00E+0
 
 Eu2O3(cubic)
-Eu2O3     = 2.000Eu+3     - 6.000H+     + 3.000H2O
-     log_k    52.400     #95SPA/BRU
-     delta_h -405.453    #kJ/mol        
-     # Enthalpy of formation:           -1662.7        #kJ/mol        #82WAG/EVA
-     -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0
+Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O
+      log_k 52.4 #95SPA/BRU
+      delta_h -405.44 #kJ/mol
+#     Enthalpy of formation: -1662.700 kJ/mol  82WAG/EVA
+      -analytic -18.63004E+0 00E+0 21.17761E+3 00E+0 00E+0
 
 Eu2O3(monoclinic)
-Eu2O3     = 2.000Eu+3     - 6.000H+     + 3.000H2O
-     log_k    53.470     
-     delta_h -418.514    #kJ/mol        
-     # Enthalpy of formation:           -1649.638        #kJ/mol        
-     -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0
+Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O
+      log_k 53.47
+      delta_h -418.513 #kJ/mol
+#     Enthalpy of formation: -1649.626 kJ/mol
+      -analytic -19.85033E+0 00E+0 21.86046E+3 00E+0 00E+0
 
 Eu3O4(s)
-Eu3O4     = 3.000Eu+3     - 9.000H+     + 4.500H2O     - 0.250O2
-     log_k   114.515     
-     delta_h -829.196    #kJ/mol        
-     # Enthalpy of formation:           -2270        #kJ/mol        
-     -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0
+Eu3O4 = 3 Eu+3 - 8 H+ + e- + 4 H2O
+      log_k 93.02
+      delta_h -688.765 #kJ/mol
+#     Enthalpy of formation: -2270.529 kJ/mol
+      -analytic -27.64645E+0 00E+0 35.9767E+3 00E+0 00E+0
 
 EuBr3(s)
-EuBr3     = 1.000Eu+3     + 3.000Br-
-     log_k    30.190     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0
+EuBr3 = Eu+3 + 3 Br-
+      log_k 30.19 #95SPA/BRU
+      -analytic 30.19E+0 00E+0 00E+0 00E+0 00E+0
 
 EuCl(OH)2(s)
-EuCl(OH)2     = 1.000Eu+3     - 2.000H+     + 1.000Cl-     + 2.000H2O
-     log_k     9.130     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0
+EuCl(OH)2 = Eu+3 - 2 H+ + Cl- + 2 H2O
+      log_k 9.13 #95SPA/BRU
+      -analytic 91.3E-1 00E+0 00E+0 00E+0 00E+0
 
 EuCl2(s)
-EuCl2     = 1.000Eu+3     + 2.000Cl-     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    32.715     #95SPA/BRU
-     delta_h -255.373    #kJ/mol        
-     # Enthalpy of formation:           -824        #kJ/mol        #82WAG/EVA
-     -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0
+EuCl2 = Eu+3 + e- + 2 Cl-
+      log_k 11.22 #95SPA/BRU
+      delta_h -115.485 #kJ/mol
+#     Enthalpy of formation: -824.000  kJ/mol  82WAG/EVA
+      -analytic -90.12104E-1 00E+0 60.32202E+2 00E+0 00E+0
 
 EuCl3(s)
-EuCl3     = 1.000Eu+3     + 3.000Cl-
-     log_k    19.720     #96FAL/REA
-     delta_h -170.571    #kJ/mol        
-     # Enthalpy of formation:           -936        #kJ/mol        #82WAG/EVA
-     -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0
+EuCl3 = Eu+3 + 3 Cl-
+      log_k 19.72 #96FAL/REA
+      delta_h -170.565 #kJ/mol
+#     Enthalpy of formation: -936.000  kJ/mol  82WAG/EVA
+      -analytic -10.16171E+0 00E+0 89.0923E+2 00E+0 00E+0
 
 EuCl3:6H2O(s)
-EuCl3:6H2O     = 1.000Eu+3     + 3.000Cl-     + 6.000H2O
-     log_k     5.200     #95SPA/BRU
-     delta_h  -41.414    #kJ/mol        
-     # Enthalpy of formation:           -2780.137        #kJ/mol        
-     -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0
+EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
+      log_k 5.2 #95SPA/BRU
+      delta_h -41.414 #kJ/mol
+#     Enthalpy of formation: -2780.128 kJ/mol
+      -analytic -20.55421E-1 00E+0 21.63204E+2 00E+0 00E+0
+
+EuCO3OH(cr)
+Eu(CO3)(OH) = Eu+3 - H+ + CO3-2 + H2O
+      log_k -9.63
+      delta_h -43.385 #kJ/mol
+#     Enthalpy of formation: -1523.000 kJ/mol  05ROR/FUG
+      -analytic -17.23073E+0 00E+0 22.66156E+2 00E+0 00E+0
+
+EuCO3OH:0.5H2O(s)
+Eu(CO3)(OH):0.5H2O = Eu+3 - H+ + CO3-2 + 1.5 H2O
+      log_k -7.8 #95SPA/BRU
+      delta_h -55.9 #kJ/mol
+#     Enthalpy of formation: -1653.400 kJ/mol  05ROR/FUG
+      -analytic -17.59326E+0 00E+0 29.1986E+2 00E+0 00E+0
 
 EuF3(s)
-EuF3     = 1.000Eu+3     + 3.000F-
-     log_k   -18.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0
+EuF3 = Eu+3 + 3 F-
+      log_k -18.5 #96FAL/REA
+      -analytic -18.5E+0 00E+0 00E+0 00E+0 00E+0
 
 EuF3:0.5H2O(s)
-EuF3:0.5H2O     = 1.000Eu+3     + 3.000F-     + 0.500H2O
-     log_k   -17.200     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0
+EuF3:0.5H2O = Eu+3 + 3 F- + 0.5 H2O
+      log_k -17.2 #95SPA/BRU
+      -analytic -17.2E+0 00E+0 00E+0 00E+0 00E+0
 
 EuO(s)
-EuO     = 1.000Eu+3     - 3.000H+     + 1.500H2O     - 0.250O2
-     log_k    66.265     
-     delta_h -439.894    #kJ/mol        
-     # Enthalpy of formation:           -591.149        #kJ/mol        
-     -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0
+EuO = Eu+3 - 2 H+ + e- + H2O
+      log_k 44.77
+      delta_h -300.012 #kJ/mol
+#     Enthalpy of formation: -591.143  kJ/mol
+      -analytic -77.89846E-1 00E+0 15.67072E+3 00E+0 00E+0
 
 EuOCl(s)
-EuOCl     = 1.000Eu+3     - 2.000H+     + 1.000Cl-     + 1.000H2O
-     log_k    15.810     #95SPA/BRU
-     delta_h -154.741    #kJ/mol        
-     # Enthalpy of formation:           -903.5        #kJ/mol        
-     -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0
+EuOCl = Eu+3 - 2 H+ + Cl- + H2O
+      log_k 15.81 #95SPA/BRU
+      delta_h -154.735 #kJ/mol
+#     Enthalpy of formation: -903.500  kJ/mol  98BUR/PET
+      -analytic -11.29841E+0 00E+0 80.82372E+2 00E+0 00E+0
 
 EuPO4:H2O(cr)
-EuPO4:H2O     = 1.000Eu+3     - 2.000H+     + 1.000H2(PO4)-     + 1.000H2O
-     log_k    -6.440     #97LIU/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0
+EuPO4:H2O = Eu+3 - 2 H+ + H2(PO4)- + H2O
+      log_k -6.44 #97LIU/BYR
+      -analytic -64.4E-1 00E+0 00E+0 00E+0 00E+0
 
 EuSO4(s)
-EuSO4     = 1.000Eu+3     + 1.000SO4-2     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    18.975     #95SPA/BRU
-     delta_h -232.746    #kJ/mol        
-     # Enthalpy of formation:           -1421.807        #kJ/mol        
-     -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0
+EuSO4 = Eu+3 + e- + SO4-2
+      log_k -2.52 #95SPA/BRU
+      delta_h -92.864 #kJ/mol
+#     Enthalpy of formation: -1421.801 kJ/mol
+      -analytic -18.78907E+0 00E+0 48.50625E+2 00E+0 00E+0
 
 Fayalite
-Fe2(SiO4)      = 2.000Fe+2     - 4.000H+     + 1.000H4(SiO4)
-     log_k    19.510     
-     delta_h -163.054    #kJ/mol        
-     # Enthalpy of formation:           -1478.14        #kJ/mol        #95ROB/HEM
-     -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0
+Fe2(SiO4) = 2 Fe+2 - 4 H+ + H4(SiO4)
+      log_k 19.55
+      delta_h -163.644 #kJ/mol
+#     Enthalpy of formation: -1478.140 kJ/mol  95ROB/HEM
+      -analytic -91.19198E-1 00E+0 85.47721E+2 00E+0 00E+0
+
+Fe(alpha,cr)
+Fe = Fe+2 + 2 e-
+      log_k 15.89
+      delta_h -90.295 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  13LEM/BER
+      -analytic 70.99504E-3 00E+0 47.16436E+2 00E+0 00E+0
 
 Fe(OH)2(cr)
-Fe(OH)2     = 1.000Fe+2     - 2.000H+     + 2.000H2O
-     log_k    12.760     
-     delta_h  -99.056    #kJ/mol        
-     # Enthalpy of formation:           -574.011        #kJ/mol        
-     -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0
+Fe(OH)2 = Fe+2 - 2 H+ + 2 H2O
+      log_k 12.78
+      delta_h -87.915 #kJ/mol
+#     Enthalpy of formation: -574.040  kJ/mol  98CHA in 04CHI
+      -analytic -26.22047E-1 00E+0 45.9212E+2 00E+0 00E+0
 
 Fe(PO4)(cr)
-Fe(PO4)     = 1.000Fe+3     - 2.000H+     + 1.000H2(PO4)-
-     log_k    -6.240     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
-     delta_h  -18.600    #kJ/mol        
-     # Enthalpy of formation:           -1333        #kJ/mol        
-     -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0
+Fe(PO4) = Fe+3 - 2 H+ + H2(PO4)-
+      log_k -1.39
+      delta_h -85.096 #kJ/mol
+#     Enthalpy of formation: -1267.560 kJ/mol  20LEM/PAL
+      -analytic -16.29818E+0 00E+0 44.44874E+2 00E+0 00E+0
 
-Fe(s)
-Fe     = 1.000Fe+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    58.850     #95PAR/KHO in 98CHI
-     delta_h -369.763    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0
+Fe0.932O(s)
+Fe0.932O = 0.932 Fe+2 - 2 H+ - 0.136 e- + H2O
+      log_k 13.51
+      delta_h -104.185 #kJ/mol
+#     Enthalpy of formation: -265.800  kJ/mol  20LEM/PAL
+      -analytic -47.42428E-1 00E+0 54.41962E+2 00E+0 00E+0
 
 Fe1.04Se(beta)
-Fe1.04Se     = 1.040Fe+2     - 1.080H+     + 1.000HSe-     + 0.040H2O     - 0.020O2
-     log_k    -1.680     
-     delta_h  -20.891    #kJ/mol        
-     # Enthalpy of formation:           -69.6        #kJ/mol        #05OLI/NOL
-     -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0
+Fe1.04Se = 1.04 Fe+2 - H+ + 0.08 e- + HSe-
+      log_k -3.38
+      delta_h -10.007 #kJ/mol
+#     Enthalpy of formation: -69.600   kJ/mol  05OLI/NOL
+      -analytic -51.33151E-1 00E+0 52.2702E+1 00E+0 00E+0
 
 Fe2(SeO3)3:6H2O(s)
-Fe2(SeO3)3:6H2O     = 2.000Fe+3     + 3.000SeO3-2     + 6.000H2O
-     log_k   -41.580     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0
+Fe2(SeO3)3:6H2O = 2 Fe+3 + 3 SeO3-2 + 6 H2O
+      log_k -41.58 #05OLI/NOL
+      -analytic -41.58E+0 00E+0 00E+0 00E+0 00E+0
+
+Fe3O4(s)
+Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O
+      log_k 12.6 #18BRU/GON
+      -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0
 
 Fe3Se4(gamma)
-Fe3Se4     = 3.000Fe+2     - 2.000H+     + 4.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -68.590     
-     delta_h  301.963    #kJ/mol        
-     # Enthalpy of formation:           -235        #kJ/mol        #05OLI/NOL
-     -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0
-
-Fe5(OH)(PO4)3(s)
-Fe5(OH)(PO4)3     = 5.000Fe+2     - 7.000H+     + 3.000H2(PO4)-     + 1.000H2O
-     log_k  -402.320     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0
+Fe3Se4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HSe-
+      log_k -25.53
+      delta_h 21.315 #kJ/mol
+#     Enthalpy of formation: -235.000  kJ/mol  05OLI/NOL
+      -analytic -21.79577E+0 00E+0 -11.1336E+2 00E+0 00E+0
 
 Fe7Se8(alfa)
-Fe7Se8     = 7.000Fe+2     - 6.000H+     + 8.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -78.590     
-     delta_h  227.663    #kJ/mol        
-     # Enthalpy of formation:           -463.5        #kJ/mol        #05OLI/NOL
-     -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0
+Fe7Se8 = 7 Fe+2 - 8 H+ - 2 e- + 8 HSe-
+      log_k -35.44
+      delta_h -54.165 #kJ/mol
+#     Enthalpy of formation: -463.500  kJ/mol  05OLI/NOL
+      -analytic -44.9293E+0 00E+0 28.29235E+2 00E+0 00E+0
 
 FeAl2O4(s)
-FeAl2O4     = 1.000Fe+2     + 2.000Al+3     - 8.000H+     + 4.000H2O
-     log_k    27.200     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0
+FeAl2O4 = Fe+2 + 2 Al+3 - 8 H+ + 4 H2O
+      log_k 27.2 #96FAL/REA
+      -analytic 27.2E+0 00E+0 00E+0 00E+0 00E+0
+
+FeF2(cr)
+FeF2 = Fe+2 + 2 F-
+      log_k -2.76
+      delta_h -48.895 #kJ/mol
+#     Enthalpy of formation: -712.100  kJ/mol  13LEM/BER
+      -analytic -11.32604E+0 00E+0 25.53964E+2 00E+0 00E+0
 
 FeMoO4(s)
-FeMoO4     = 1.000Fe+2     + 1.000MoO4-2
-     log_k    -8.350     
-     delta_h  -11.534    #kJ/mol        
-     # Enthalpy of formation:           -1075.466        #kJ/mol        
-     -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0
+FeMoO4 = Fe+2 + MoO4-2
+      log_k -8.32
+      delta_h -11.893 #kJ/mol
+#     Enthalpy of formation: -1075.402 kJ/mol
+      -analytic -10.40356E+0 00E+0 62.12147E+1 00E+0 00E+0
 
 FeO(s)
-FeO     = 1.000Fe+2     - 2.000H+     + 1.000H2O
-     log_k    13.370     #95ROB/HEM
-     delta_h -103.830    #kJ/mol        
-     # Enthalpy of formation:           -272        #kJ/mol        
-     -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0
-
-FeS(am)
-FeS     = 1.000Fe+2     - 1.000H+     + 1.000HS-
-     log_k    -2.950     #91DAV
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0
+FeO = Fe+2 - 2 H+ + H2O
+      log_k 13.39
+      delta_h -104.125 #kJ/mol
+#     Enthalpy of formation: -272.000  kJ/mol  95ROB/HEM
+      -analytic -48.51917E-1 00E+0 54.38828E+2 00E+0 00E+0
+      -Vm 12
 
 Ferrihydrite(am)
-Fe(OH)3     = 1.000Fe+3     - 3.000H+     + 3.000H2O
-     log_k     2.540     #63SCH/MIC
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
+Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O
+      log_k 3.92 #21RIB/BEG from 04MAJ/NAV
+      -analytic 39.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Ferrihydrite(cr)
+Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O
+      log_k 1.22 #21RIB/BEG from 05GRI
+      -analytic 12.2E-1 00E+0 00E+0 00E+0 00E+0
+
+Ferrihydrite(s)
+Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O
+      log_k 2.78 #21RIB/BEG from 63SCH/MIC
+      -analytic 27.8E-1 00E+0 00E+0 00E+0 00E+0
 
 Ferroselite
-FeSe2     = 1.000Fe+2     + 2.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -60.120     #05OLI/NOL
-     delta_h  327.063    #kJ/mol        
-     # Enthalpy of formation:           -108.7        #kJ/mol        #05OLI/NOL
-     -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0
+FeSe2 = Fe+2 - 2 H+ - 2 e- + 2 HSe-
+      log_k -17.1
+      delta_h 47.005 #kJ/mol
+#     Enthalpy of formation: -108.700  kJ/mol  05OLI/NOL
+      -analytic -88.65077E-1 00E+0 -24.55242E+2 00E+0 00E+0
 
 Ferrosilite
-FeSiO3     = 1.000Fe+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     log_k    32.710     #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0
+FeSiO3 = Fe+2 - 2 H+ + H4(SiO4) - H2O
+      log_k 32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995
+      -analytic 32.71E+0 00E+0 00E+0 00E+0 00E+0
 
-Ferryhydrite
-Fe(OH)3     = 1.000Fe+3     - 3.000H+     + 3.000H2O
-     log_k     1.190     #05GRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0
+FeS(am)
+FeS = Fe+2 - H+ + HS-
+      log_k -2.95 #91DAV
+      -analytic -29.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Fluorapatite
-Ca5F(PO4)3     = 5.000Ca+2     - 6.000H+     + 1.000F-     + 3.000H2(PO4)-
-     log_k    -0.910     #74HAG
-     delta_h -115.603    #kJ/mol        
-     # Enthalpy of formation:           -6842.547        #kJ/mol        
-     -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0
+Ca5F(PO4)3 = 5 Ca+2 - 6 H+ + F- + 3 H2(PO4)-
+      log_k -0.91 #74HAG
+      delta_h -115.603 #kJ/mol
+#     Enthalpy of formation: -6842.544 kJ/mol
+      -analytic -21.16278E+0 00E+0 60.38365E+2 00E+0 00E+0
+      -Vm 157.6
 
 Fluorite
-CaF2     = 1.000Ca+2     + 2.000F-
-     log_k   -10.600     
-     delta_h  19.623     #kJ/mol        
-     # Enthalpy of formation:           -1233.323        #kJ/mol        
-     -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0
+CaF2 = Ca+2 + 2 F-
+      log_k -10.6 #96FAL/REA
+      delta_h 19.623 #kJ/mol 90NOR/PLU
+#     Enthalpy of formation: -1233.323 kJ/mol
+      -analytic -71.62198E-1 00E+0 -10.24981E+2 00E+0 00E+0
+      -Vm 24.54
 
 Foshagite
-Ca4Si3O9(OH)2:0.5H2O     = 4.000Ca+2     - 8.000H+     + 3.000H4(SiO4)     - 0.500H2O
-     log_k    65.960     #10BLA/BOU1
-     delta_h -380.237    #kJ/mol        
-     # Enthalpy of formation:           -6032.43        #kJ/mol        #56NEW
-     -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0
+Ca4Si3O9(OH)2:0.5H2O = 4 Ca+2 - 8 H+ + 3 H4(SiO4) - 0.5 H2O
+      log_k 65.96 #10BLA/BOU1
+      delta_h -380.237 #kJ/mol
+#     Enthalpy of formation: -6032.430 kJ/mol  56NEW
+      -analytic -65.46629E-2 00E+0 19.86116E+3 00E+0 00E+0
+      -Vm 160.66
 
 Friedel-salt
-Ca4Al2(OH)12Cl2:4H2O      = 4.000Ca+2     + 2.000Al+3     - 12.000H+     + 2.000Cl-     + 16.000H2O
-     log_k    74.930     #10BLA/BOU2
-     delta_h -486.200    #kJ/mol        
-     # Enthalpy of formation:           -7670.04        #kJ/mol        #76HOU/STE
-     -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0
+Ca4Al2(OH)12Cl2:4H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + 2 Cl- + 16 H2O
+      log_k 74.93 #10BLA/BOU2
+      delta_h -486.2 #kJ/mol
+#     Enthalpy of formation: -7670.040 kJ/mol  76HOU/STE
+      -analytic -10.24858E+0 00E+0 25.39599E+3 00E+0 00E+0
+      -Vm 276.24
 
 Galena
-PbS     = 1.000Pb+2     - 1.000H+     + 1.000HS-
-     log_k   -14.840     
-     delta_h  82.940     #kJ/mol        
-     # Enthalpy of formation:           -98.32        #kJ/mol        #98CHA
-     -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0
+PbS = Pb+2 - H+ + HS-
+      log_k -14.84
+      delta_h 82.94 #kJ/mol
+#     Enthalpy of formation: -98.320   kJ/mol  98CHA
+      -analytic -30.95357E-2 00E+0 -43.32258E+2 00E+0 00E+0
 
 Gaylussite
-CaNa2(CO3)2:5H2O     = 1.000Ca+2     + 2.000Na+     + 2.000CO3-2     + 5.000H2O
-     log_k    -9.430     #99KON/KON
-     delta_h  31.099     #kJ/mol        
-     # Enthalpy of formation:           -3834.389        #kJ/mol        
-     -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0
+CaNa2(CO3)2:5H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 5 H2O
+      log_k -9.43 #99KON/KON
+      delta_h 31.099 #kJ/mol
+#     Enthalpy of formation: -3834.387 kJ/mol
+      -analytic -39.81689E-1 00E+0 -16.24414E+2 00E+0 00E+0
 
 Gibbsite
-Al(OH)3     = 1.000Al+3     - 3.000H+     + 3.000H2O
-     log_k     7.740     #95POK/HEL
-     delta_h -102.759    #kJ/mol        
-     # Enthalpy of formation:           -1293.131        #kJ/mol        
-     -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0
+Al(OH)3 = Al+3 - 3 H+ + 3 H2O
+      log_k 7.74 #95POK/HEL
+      delta_h -102.784 #kJ/mol
+#     Enthalpy of formation: -1293.105 kJ/mol
+      -analytic -10.26698E+0 00E+0 53.68782E+2 00E+0 00E+0
+      -Vm 31.96
 
 Gismondine
-Ca2Al4Si4O16:9H2O     = 2.000Ca+2     + 4.000Al+3     - 16.000H+     + 4.000H4(SiO4)     + 9.000H2O
-     log_k    39.010     
-     delta_h -477.046    #kJ/mol        
-     # Enthalpy of formation:           -11179.8        #kJ/mol        #89CHE/RIM
-     -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0
+Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O
+      log_k 38.97
+      delta_h -477.046 #kJ/mol
+#     Enthalpy of formation: -11179.800kJ/mol  89CHE/RIM
+      -analytic -44.60487E+0 00E+0 24.91785E+3 00E+0 00E+0
+      -Vm 315.07
 
 Glaserite
-Na2K6(SO4)4     = 6.000K+     + 2.000Na+     + 4.000SO4-2
-     log_k    -7.610     #80HAR/WEA
-     delta_h  78.360     #kJ/mol        
-     # Enthalpy of formation:           -5709.24        #kJ/mol        
-     -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0
+Na2K6(SO4)4 = 6 K+ + 2 Na+ + 4 SO4-2
+      log_k -7.61 #80HAR/WEA
+      delta_h 78.36 #kJ/mol
+#     Enthalpy of formation: -5709.240 kJ/mol  80HAR/WEA
+      -analytic 61.18083E-1 00E+0 -40.93028E+2 00E+0 00E+0
 
 Glauberite
-Na2Ca(SO4)2     = 1.000Ca+2     + 2.000Na+     + 2.000SO4-2
-     log_k     1.970     #84HAR/MOL
-     delta_h  -13.160    #kJ/mol        
-     # Enthalpy of formation:           -2829.2        #kJ/mol        #82WAG/EVA
-     -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0
+Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2
+      log_k 1.97 #84HAR/MOL
+      delta_h -13.16 #kJ/mol
+#     Enthalpy of formation: -2829.200 kJ/mol  82WAG/EVA
+      -analytic -33.5533E-2 00E+0 68.73947E+1 00E+0 00E+0
 
 Glauconite
-(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2     = 0.250Mg+2     + 0.750K+     + 1.250Fe+3     + 0.250Fe+2     + 0.500Al+3     - 7.000H+     + 3.750H4(SiO4)     - 3.000H2O
-     log_k     1.860     
-     delta_h -129.662    #kJ/mol        
-     # Enthalpy of formation:           -5151.13        #kJ/mol        #15BLA/VIE
-     -analytic -2.08558E+1 0E+0 6.77271E+3 0E+0 0E+0
+(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.25 Mg+2 + 0.75 K+ + 1.25 Fe+3 + 0.25 Fe+2 + 0.5 Al+3 - 7 H+ + 3.75 H4(SiO4) - 3 H2O
+      log_k 1.84
+      delta_h -131.056 #kJ/mol
+#     Enthalpy of formation: -5151.130 kJ/mol  15BLA/VIE
+      -analytic -21.12003E+0 00E+0 68.45532E+2 00E+0 00E+0
+      -Vm 139.76
 
 Goethite
-FeOOH     = 1.000Fe+3     - 3.000H+     + 2.000H2O
-     log_k     0.390     #63SCH/MIC
-     delta_h  -61.522    #kJ/mol        
-     # Enthalpy of formation:           -559.124        #kJ/mol        
-     -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0
+FeOOH = Fe+3 - 3 H+ + 2 H2O
+      log_k 0.17
+      delta_h -61.256 #kJ/mol
+#     Enthalpy of formation: -560.460  kJ/mol  13LEM/BER
+      -analytic -10.56159E+0 00E+0 31.99624E+2 00E+0 00E+0
+      -Vm 20.82
+
+GR-Cl
+Fe3Fe(OH)8Cl = 4 Fe+2 - 8 H+ - e- + Cl- + 8 H2O
+      log_k 41.8
+      -analytic 41.8E+0 00E+0 00E+0 00E+0 00E+0
+
+GR-CO3
+Fe4Fe2(OH)12CO3:2H2O = 6 Fe+2 - 12 H+ - 2 e- + CO3-2 + 14 H2O
+      log_k 55.5
+      -analytic 55.5E+0 00E+0 00E+0 00E+0 00E+0
 
 Greenalite
-Fe3Si2O5(OH)4     = 3.000Fe+2     - 6.000H+     + 2.000H4(SiO4)     + 1.000H2O
-     log_k    21.770     
-     delta_h -177.218    #kJ/mol        
-     # Enthalpy of formation:           -3301        #kJ/mol        #83MIY/KLE
-     -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0
+Fe3Si2O5(OH)4 = 3 Fe+2 - 6 H+ + 2 H4(SiO4) + H2O
+      log_k 21.82
+      delta_h -178.103 #kJ/mol
+#     Enthalpy of formation: -3301.000 kJ/mol  83MIY/KLE
+      -analytic -93.82306E-1 00E+0 93.02968E+2 00E+0 00E+0
+      -Vm 115
+
+Greigite
+Fe3S4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HS-
+      log_k -15.03
+      -analytic -15.03E+0 00E+0 00E+0 00E+0 00E+0
+
+GR-SO4
+Fe4Fe2(OH)12SO4 = 6 Fe+2 - 12 H+ - 2 e- + SO4-2 + 12 H2O
+      log_k 58.3
+      -analytic 58.3E+0 00E+0 00E+0 00E+0 00E+0
 
 Gypsum
-CaSO4:2H2O     = 1.000Ca+2     + 1.000SO4-2     + 2.000H2O
-     log_k    -4.610     
-     delta_h  -1.050     #kJ/mol        
-     # Enthalpy of formation:           -2022.95        #kJ/mol        #87GAR/PAR
-     -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0
+CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+      log_k -4.61
+      delta_h -1.05 #kJ/mol
+#     Enthalpy of formation: -2022.950 kJ/mol  87GAR/PAR
+      -analytic -47.93952E-1 00E+0 54.84532E+0 00E+0 00E+0
+      -Vm 74.69
 
 Gyrolite
-Ca2Si3O7.5(OH):2H2O     = 2.000Ca+2     - 4.000H+     + 3.000H4(SiO4)     - 1.500H2O
-     log_k    22.340     #10BLA/BOU1
-     delta_h -122.847    #kJ/mol        
-     # Enthalpy of formation:           -4917.99        #kJ/mol        #10BLA/BOU1
-     -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0
+Ca2Si3O7.5(OH):2H2O = 2 Ca+2 - 4 H+ + 3 H4(SiO4) - 1.5 H2O
+      log_k 22.34 #10BLA/BOU1
+      delta_h -122.847 #kJ/mol
+#     Enthalpy of formation: -4917.990 kJ/mol  10BLA/BOU1
+      -analytic 81.81294E-2 00E+0 64.16746E+2 00E+0 00E+0
+      -Vm 137.34
 
 H2MoO4(s)
-H2MoO4     = 2.000H+     + 1.000MoO4-2
-     log_k   -13.170     
-     delta_h  48.763     #kJ/mol        
-     # Enthalpy of formation:           -1045.763        #kJ/mol        
-     -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0
+H2MoO4 = 2 H+ + MoO4-2
+      log_k -13.17
+      delta_h 48.763 #kJ/mol
+#     Enthalpy of formation: -1045.763 kJ/mol
+      -analytic -46.27089E-1 00E+0 -25.47069E+2 00E+0 00E+0
 
 H3Cit:H2O(cr)
-H3Cit:H2O     = 3.000H+     + 1.000Cit-3     + 1.000H2O
-     log_k   -12.940     #05HUM/AND
-     delta_h  32.710     #kJ/mol        
-     # Enthalpy of formation:           -1838.46        #kJ/mol        
-     -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0
+H3Cit:H2O = 3 H+ + Cit-3 + H2O
+      log_k -12.94 #05HUM/AND
+      delta_h 32.71 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1838.460 kJ/mol
+      -analytic -72.09454E-1 00E+0 -17.08562E+2 00E+0 00E+0
 
 H4Edta(cr)
-H4Edta     = 4.000H+     + 1.000Edta-4
-     log_k   -27.220     #05HUM/AND
-     delta_h  55.000     #kJ/mol        
-     # Enthalpy of formation:           -1759.8        #kJ/mol        
-     -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0
-
-HBeidellite-Ca
-Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O     = 0.170Ca+2     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.810H2O
-     log_k     2.110     
-     delta_h -160.492    #kJ/mol        
-     # Enthalpy of formation:           -7056.996        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0
-
-HBeidellite-K
-K0.34Al2.34Si3.66O10(OH)2:1.96H2O     = 0.340K+     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 0.680H2O
-     log_k     2.240     
-     delta_h -167.142    #kJ/mol        
-     # Enthalpy of formation:           -6332.047        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0
-
-HBeidellite-Mg
-Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O     = 0.170Mg+2     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.970H2O
-     log_k     2.240     
-     delta_h -159.892    #kJ/mol        
-     # Enthalpy of formation:           -7090.409        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0
-
-HBeidellite-Na
-Na0.34Al2.34Si3.66O10(OH)2:3.84H2O     = 0.340Na+     + 2.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.200H2O
-     log_k     1.860     
-     delta_h -171.523    #kJ/mol        
-     # Enthalpy of formation:           -6861.015        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0
-
-HMontmorillonite-BCCa
-Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O     = 0.170Ca+2     + 0.340Mg+2     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     + 0.450H2O
-     log_k     2.200     
-     delta_h -118.557    #kJ/mol        
-     # Enthalpy of formation:           -6999.676        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0
-
-HMontmorillonite-BCK
-K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O     = 0.340Mg+2     + 0.340K+     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 2.040H2O
-     log_k     2.090     
-     delta_h -123.828    #kJ/mol        
-     # Enthalpy of formation:           -6276.107        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0
-
-HMontmorillonite-BCMg
-Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O     = 0.510Mg+2     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     + 0.610H2O
-     log_k     2.350     
-     delta_h -118.107    #kJ/mol        
-     # Enthalpy of formation:           -7032.939        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0
-
-HMontmorillonite-BCNa
-Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O     = 0.340Mg+2     + 0.340Na+     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 0.160H2O
-     log_k     1.790     
-     delta_h -128.688    #kJ/mol        
-     # Enthalpy of formation:           -6804.595        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0
-
-HMontmorillonite-HCCa
-Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O     = 0.300Ca+2     + 0.600Mg+2     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     + 0.450H2O
-     log_k     6.180     
-     delta_h -134.133    #kJ/mol        
-     # Enthalpy of formation:           -7036.126        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0
-
-HMontmorillonite-HCK
-K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O     = 0.600Mg+2     + 0.600K+     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 2.040H2O
-     log_k     4.260     
-     delta_h -119.730    #kJ/mol        
-     # Enthalpy of formation:           -6327.197        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0
-
-HMontmorillonite-HCMg
-Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O     = 0.900Mg+2     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     + 0.610H2O
-     log_k     6.500     
-     delta_h -133.713    #kJ/mol        
-     # Enthalpy of formation:           -7059.479        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0
-
-HMontmorillonite-HCNa
-Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O     = 0.600Mg+2     + 0.600Na+     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 0.160H2O
-     log_k     4.560     
-     delta_h -132.493    #kJ/mol        
-     # Enthalpy of formation:           -6844.715        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0
-
-HNontronite-Ca
-Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O     = 0.170Ca+2     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.810H2O
-     log_k    -2.830     
-     delta_h -109.854    #kJ/mol        
-     # Enthalpy of formation:           -6290.336        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0
-
-HNontronite-K
-K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O     = 0.340K+     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     - 0.680H2O
-     log_k    -2.700     
-     delta_h -116.514    #kJ/mol        
-     # Enthalpy of formation:           -5565.377        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0
-
-HNontronite-Mg
-Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O     = 0.170Mg+2     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.970H2O
-     log_k    -2.530     
-     delta_h -109.254    #kJ/mol        
-     # Enthalpy of formation:           -6323.749        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0
-
-HNontronite-Na
-Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O     = 0.340Na+     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.200H2O
-     log_k    -3.090     
-     delta_h -120.885    #kJ/mol        
-     # Enthalpy of formation:           -6094.355        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0
-
-HSaponite-Ca
-Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O     = 0.170Ca+2     + 3.000Mg+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.810H2O
-     log_k    28.390     
-     delta_h -239.662    #kJ/mol        
-     # Enthalpy of formation:           -7302.026        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0
-
-HSaponite-FeCa
-Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O     = 0.170Ca+2     + 2.000Mg+2     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.810H2O
-     log_k    27.980     
-     delta_h -235.552    #kJ/mol        
-     # Enthalpy of formation:           -6929.136        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0
-
-HSaponite-FeK
-K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O     = 2.000Mg+2     + 0.340K+     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 0.680H2O
-     log_k    28.110     
-     delta_h -242.212    #kJ/mol        
-     # Enthalpy of formation:           -6204.177        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0
-
-HSaponite-FeMg
-Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O     = 2.170Mg+2     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.970H2O
-     log_k    28.070     
-     delta_h -234.962    #kJ/mol        
-     # Enthalpy of formation:           -6962.539        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0
-
-HSaponite-FeNa
-Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O     = 2.000Mg+2     + 0.340Na+     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.200H2O
-     log_k    27.720     
-     delta_h -246.583    #kJ/mol        
-     # Enthalpy of formation:           -6733.155        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0
-
-HSaponite-K
-K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O     = 3.000Mg+2     + 0.340K+     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 0.680H2O
-     log_k    28.520     
-     delta_h -246.322    #kJ/mol        
-     # Enthalpy of formation:           -6577.067        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0
-
-HSaponite-Mg
-Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O     = 3.170Mg+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.970H2O
-     log_k    28.510     
-     delta_h -239.062    #kJ/mol        
-     # Enthalpy of formation:           -7335.439        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0
-
-HSaponite-Na
-Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O     = 3.000Mg+2     + 0.340Na+     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     + 1.200H2O
-     log_k    28.130     
-     delta_h -250.693    #kJ/mol        
-     # Enthalpy of formation:           -7106.45        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0
-
-HVermiculite-Ca
-Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O     = 0.430Ca+2     + 3.000Mg+2     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     + 3.890H2O
-     log_k    97.850     
-     delta_h -683.046    #kJ/mol        
-     # Enthalpy of formation:           -7114.496        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0
-
-HVermiculite-K
-K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O     = 3.000Mg+2     + 0.860K+     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     + 1.400H2O
-     log_k    87.710     
-     delta_h -609.749    #kJ/mol        
-     # Enthalpy of formation:           -6459.427        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0
-
-HVermiculite-Mg
-Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O     = 3.430Mg+2     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     + 4.050H2O
-     log_k    68.210     
-     delta_h -523.376    #kJ/mol        
-     # Enthalpy of formation:           -7287.219        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0
-
-HVermiculite-Na
-Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O     = 3.000Mg+2     + 0.860Na+     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     + 3.280H2O
-     log_k    96.550     
-     delta_h -673.353    #kJ/mol        
-     # Enthalpy of formation:           -6923.035        #kJ/mol        #13BLA/VI; 11VIE/BLA
-     -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0
+H4Edta = 4 H+ + Edta-4
+      log_k -27.22 #05HUM/AND
+      delta_h 55 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -1759.800 kJ/mol
+      -analytic -17.58441E+0 00E+0 -28.7285E+2 00E+0 00E+0
 
 Halite
-NaCl     = 1.000Na+     + 1.000Cl-
-     log_k     1.590     
-     delta_h   3.700     #kJ/mol        
-     # Enthalpy of formation:           -411.12        #kJ/mol        #98CHA
-     -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0
+NaCl = Na+ + Cl-
+      log_k 1.59
+      delta_h 3.7 #kJ/mol
+#     Enthalpy of formation: -411.120  kJ/mol  98CHA
+      -analytic 22.38212E-1 00E+0 -19.32645E+1 00E+0 00E+0
+      -Vm 27.02
 
 Halloysite
-Al2Si2O5(OH)4     = 2.000Al+3     - 6.000H+     + 2.000H4(SiO4)     + 1.000H2O
-     log_k    10.320     
-     delta_h -192.418    #kJ/mol        
-     # Enthalpy of formation:           -4092.6        #kJ/mol        #99DEL/NAV
-     -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0
+Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O
+      log_k 10.32
+      delta_h -192.418 #kJ/mol
+#     Enthalpy of formation: -4092.600 kJ/mol  99DEL/NAV
+      -analytic -23.39019E+0 00E+0 10.05069E+3 00E+0 00E+0
 
 Hausmannite
-Mn3O4     = 3.000Mn+2     - 6.000H+     + 3.000H2O     + 0.500O2
-     log_k    18.330     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.833E+1 0E+0 0E+0 0E+0 0E+0
+Mn3O4 = 3 Mn+2 - 8 H+ - 2 e- + 4 H2O
+      log_k 61.32 #96FAL/REA
+      -analytic 61.32E+0 00E+0 00E+0 00E+0 00E+0
+
+HBeidellite-Ca
+Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O
+      log_k 2.09
+      delta_h -160.492 #kJ/mol
+#     Enthalpy of formation: -7056.996 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -26.02699E+0 00E+0 83.83081E+2 00E+0 00E+0
+      -Vm 214.55
+
+HBeidellite-K
+K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O
+      log_k 2.22
+      delta_h -167.142 #kJ/mol
+#     Enthalpy of formation: -6332.047 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -27.06202E+0 00E+0 87.30435E+2 00E+0 00E+0
+      -Vm 168.65
+
+HBeidellite-Mg
+Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O
+      log_k 2.21
+      delta_h -159.892 #kJ/mol
+#     Enthalpy of formation: -7090.409 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -25.80188E+0 00E+0 83.51741E+2 00E+0 00E+0
+      -Vm 212.61
+
+HBeidellite-Na
+Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O
+      log_k 1.83
+      delta_h -171.523 #kJ/mol
+#     Enthalpy of formation: -6861.015 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -28.21954E+0 00E+0 89.5927E+2 00E+0 00E+0
+      -Vm 201.94
 
 Heazlewoodite
-Ni3S2     = 3.000Ni+2     - 4.000H+     + 2.000HS-     + 1.000H2O     - 0.500O2
-     log_k    25.760     
-     delta_h -260.199    #kJ/mol        
-     # Enthalpy of formation:           -217.2        #kJ/mol        #05GAM/BUG
-     -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0
+Ni3S2 = 3 Ni+2 - 2 H+ + 2 e- + 2 HS-
+      log_k -17.23
+      delta_h 19.564 #kJ/mol
+#     Enthalpy of formation: -217.200  kJ/mol  05GAM/BUG
+      -analytic -13.80253E+0 00E+0 -10.21899E+2 00E+0 00E+0
 
-Hematite
-Fe2O3     = 2.000Fe+3     - 6.000H+     + 3.000H2O
-     log_k    -1.020     #05GRI
-     delta_h -123.679    #kJ/mol        
-     # Enthalpy of formation:           -831.811        #kJ/mol        
-     -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0
+Hematite(cr)
+Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O
+      log_k -0.83 #21RIB/BEG from 05GRI
+      delta_h -127.15 #kJ/mol
+#     Enthalpy of formation: -830.451  kJ/mol
+      -analytic -23.10572E+0 00E+0 66.41507E+2 00E+0 00E+0
+
+Hematite(s)
+Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O
+      log_k -0.1
+      delta_h -131.312 #kJ/mol
+#     Enthalpy of formation: -826.290  kJ/mol  13LEM/BER
+      -analytic -23.10487E+0 00E+0 68.58903E+2 00E+0 00E+0
+      -Vm 30.27
 
 Hemicarboaluminate
-Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O     = 8.000Ca+2     + 4.000Al+3     - 26.000H+     + 1.000CO3-2     + 35.000H2O
-     log_k   173.200     #07MAT/LOT1
-     delta_h -1188.595   #kJ/mol        
-     # Enthalpy of formation:           -15988.285        #kJ/mol        
-     -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0
+Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8 Ca+2 + 4 Al+3 - 26 H+ + CO3-2 + 35 H2O
+      log_k 173.2 #07MAT/LOT1
+      delta_h -1189.079 #kJ/mol
+#     Enthalpy of formation: -15987.789kJ/mol
+      -analytic -35.1177E+0 00E+0 62.10992E+3 00E+0 00E+0
+      -Vm 569.02
 
 Herzenbergite
-SnS     = 1.000Sn+2     - 1.000H+     + 1.000HS-
-     log_k   -16.210     
-     delta_h  83.683     #kJ/mol        
-     # Enthalpy of formation:           -109.6        #kJ/mol        #12GAM/GAJ
-     -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0
+SnS = Sn+2 - H+ + HS-
+      log_k -16.21
+      delta_h 83.683 #kJ/mol
+#     Enthalpy of formation: -109.600  kJ/mol  12GAM/GAJ
+      -analytic -15.49368E-1 00E+0 -43.71068E+2 00E+0 00E+0
 
 Heulandite_Ca
-Ca1.07Al2.14Si6.86O18:6.17H2O     = 1.070Ca+2     + 2.140Al+3     - 8.560H+     + 6.860H4(SiO4)     - 3.270H2O
-     log_k     2.460     #09BLA
-     delta_h -155.113    #kJ/mol        
-     # Enthalpy of formation:           -10667.2        #kJ/mol        #09BLA
-     -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0
+Ca1.07Al2.14Si6.86O18:6.17H2O = 1.07 Ca+2 + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O
+      log_k 2.46 #09BLA
+      delta_h -155.113 #kJ/mol
+#     Enthalpy of formation: -10667.200kJ/mol  09BLA
+      -analytic -24.71463E+0 00E+0 81.02116E+2 00E+0 00E+0
+      -Vm 322.06
 
 Heulandite_Na
-Na2.14Al2.14Si6.86O18:6.17H2O     = 2.140Na+     + 2.140Al+3     - 8.560H+     + 6.860H4(SiO4)     - 3.270H2O
-     log_k     2.800     #09BLA
-     delta_h -142.780    #kJ/mol        
-     # Enthalpy of formation:           -10612.85        #kJ/mol        #09BLA
-     -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0
+Na2.14Al2.14Si6.86O18:6.17H2O = 2.14 Na+ + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O
+      log_k 2.8 #09BLA
+      delta_h -142.78 #kJ/mol
+#     Enthalpy of formation: -10612.850kJ/mol  09BLA
+      -analytic -22.21398E+0 00E+0 74.57919E+2 00E+0 00E+0
+      -Vm 325
 
 Hexahydrite
-Mg(SO4):6H2O     = 1.000Mg+2     + 1.000SO4-2     + 6.000H2O
-     log_k    -1.640     #84HAR/MOL
-     delta_h  -4.625     #kJ/mol        
-     # Enthalpy of formation:           -3086.695        #kJ/mol        
-     -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0
+Mg(SO4):6H2O = Mg+2 + SO4-2 + 6 H2O
+      log_k -1.64 #84HAR/MOL
+      delta_h -4.625 #kJ/mol
+#     Enthalpy of formation: -3086.692 kJ/mol
+      -analytic -24.50265E-1 00E+0 24.15806E+1 00E+0 00E+0
+
+Hf(cr)
+Hf = 4 e- + Hf+4
+      log_k 97.2
+      delta_h -628.91 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  79ROB/HEM
+      -analytic -12.9803E+0 00E+0 32.85026E+3 00E+0 00E+0
 
 Hf(HPO4)2:H2O(s)
-Hf(HPO4)2:H2O     = - 2.000H+     + 2.000H2(PO4)-     + 1.000Hf+4     + 1.000H2O
-     log_k   -21.050     #25HEV/KIM recalculated
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -3481.6        #kJ/mol        #97KAR/CHE
-     -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0
-
-#Hf(cr)
-#Hf     = 1.000Hf+4     + 2.000H2O     - 4.000H+     - 1.000O2
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Hf(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Hf+4 + H2O
+      log_k -21.05 #25HEV/KIM recalculated; Uncertainty is by analogy with Zr(HPO4)2:H2O(s) and is preliminary.
+      delta_h -38.34 #kJ/mol
+#     Enthalpy of formation: -3481.600 kJ/mol  97KAR/CHE
+      -analytic -27.76688E+0 00E+0 20.02638E+2 00E+0 00E+0
 
 HfO2(am)
-HfO2     = - 4.000H+     + 1.000Hf+4     + 2.000H2O
-     log_k     0.900     #01RAI/XIA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1101.7        #kJ/mol        #98KAR/CHE
-     -analytic 9E-1 0E+0 0E+0 0E+0 0E+0
+HfO2 = -4 H+ + Hf+4 + 2 H2O
+      log_k 0.9 #01RAI/XIA
+      delta_h -98.87 #kJ/mol
+#     Enthalpy of formation: -1101.700 kJ/mol  98KAR/CHE
+      -analytic -16.42128E+0 00E+0 51.6434E+2 00E+0 00E+0
 
 HfO2(cr)
-HfO2     = - 4.000H+     + 1.000Hf+4     + 2.000H2O
-     log_k    -5.600     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1117.63        #kJ/mol        #75KOR/USH
-     -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
+HfO2 = -4 H+ + Hf+4 + 2 H2O
+      log_k -5.62
+      delta_h -82.94 #kJ/mol
+#     Enthalpy of formation: -1117.630 kJ/mol  75KOR/USH
+      -analytic -20.15046E+0 00E+0 43.32258E+2 00E+0 00E+0
 
-Hg2SeO3(s)
-Hg2SeO3     = 1.000SeO3-2     + 1.000Hg2+2
-     log_k   -15.200     #05OLI/NOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0
+Hg(l)
+Hg = 2 e- + Hg+2
+      log_k 28.85
+      delta_h -170.21 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -96.9512E-2 00E+0 88.90687E+2 00E+0 00E+0
 
-HgSeO3(s)
-HgSeO3     = 1.000Hg+2     + 1.000SeO3-2
-     log_k   -16.200     #05OLI/NOL
-     delta_h  36.650     #kJ/mol        
-     # Enthalpy of formation:           -373.6        #kJ/mol        #05OLI/NOL
-     -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0
+Hg2Cl2(s)
+Hg2Cl2 = 2 Cl- + Hg2+2
+      log_k -17.85
+      delta_h 98.03 #kJ/mol
+#     Enthalpy of formation: -265.370  kJ/mol  89COX/WAG
+      -analytic -67.58812E-2 00E+0 -51.20464E+2 00E+0 00E+0
+
+Hg3(PO4)2(s)
+Hg3(PO4)2 = -4 H+ + 2 H2(PO4)- + 3 Hg+2
+      log_k -13.01 #05POW/BRO
+      -analytic -13.01E+0 00E+0 00E+0 00E+0 00E+0
+
+HgCl2(s)
+HgCl2 = 2 Cl- + Hg+2
+      log_k -14.57 #74AND/CUM
+      -analytic -14.57E+0 00E+0 00E+0 00E+0 00E+0
+
+HgCO3:2HgO(s)
+HgCO3:2HgO = -4 H+ + CO3-2 + 2 H2O + 3 Hg+2
+      log_k -11.48 #05POW/BRO
+      -analytic -11.48E+0 00E+0 00E+0 00E+0 00E+0
+
+HgHPO4(s)
+HgHPO4 = - H+ + H2(PO4)- + Hg+2
+      log_k -7.16 #05POW/BRO
+      -analytic -71.6E-1 00E+0 00E+0 00E+0 00E+0
+
+HgO(s)
+HgO = -2 H+ + H2O + Hg+2
+      log_k 2.37 #05POW/BRO
+      delta_h -25.3 #kJ/mol 05POW/BRO
+#     Enthalpy of formation: -90.320   kJ/mol
+      -analytic -20.6237E-1 00E+0 13.21511E+2 00E+0 00E+0
 
 Hillebrandite
-Ca2SiO3(OH)2:0.17H2O     = 2.000Ca+2     - 4.000H+     + 1.000H4(SiO4)     + 1.170H2O
-     log_k    36.950     #10BLA/BOU1
-     delta_h -219.135    #kJ/mol        
-     # Enthalpy of formation:           -2662.48        #kJ/mol        #56NEW
-     -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0
+Ca2SiO3(OH)2:0.17H2O = 2 Ca+2 - 4 H+ + H4(SiO4) + 1.17 H2O
+      log_k 36.95 #10BLA/BOU1
+      delta_h -219.135 #kJ/mol
+#     Enthalpy of formation: -2662.480 kJ/mol  56NEW
+      -analytic -14.40804E-1 00E+0 11.44622E+3 00E+0 00E+0
+      -Vm 72.58
 
-Ho(OH)3(am)
-Ho(OH)3     = - 3.000H+     + 1.000Ho+3     + 3.000H2O
-     log_k    17.480     #98DIA/RAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0
+HMontmorillonite-BCCa
+Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O
+      log_k 2.18
+      delta_h -118.558 #kJ/mol
+#     Enthalpy of formation: -6999.676 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -18.59047E+0 00E+0 61.92716E+2 00E+0 00E+0
+      -Vm 216.02
 
-Ho(OH)3(s)
-Ho(OH)3     = - 3.000H+     + 1.000Ho+3     + 3.000H2O
-     log_k    15.430     #98DIA/RAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0
+HMontmorillonite-BCK
+K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O
+      log_k 2.07
+      delta_h -123.827 #kJ/mol
+#     Enthalpy of formation: -6276.107 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -19.62356E+0 00E+0 64.67935E+2 00E+0 00E+0
+      -Vm 170.13
 
-Ho(PO4):xH2O(s)
-Ho(PO4)     = - 2.000H+     + 1.000Ho+3     + 1.000H2(PO4)-
-     log_k    -4.640     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0
+HMontmorillonite-BCMg
+Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O
+      log_k 2.33
+      delta_h -118.107 #kJ/mol
+#     Enthalpy of formation: -7032.939 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -18.36146E+0 00E+0 61.69158E+2 00E+0 00E+0
+      -Vm 214.08
+
+HMontmorillonite-BCNa
+Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O
+      log_k 1.77
+      delta_h -128.688 #kJ/mol
+#     Enthalpy of formation: -6804.595 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -20.77517E+0 00E+0 67.21842E+2 00E+0 00E+0
+      -Vm 203.42
+
+HMontmorillonite-HCCa
+Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O
+      log_k 6.15
+      delta_h -134.134 #kJ/mol
+#     Enthalpy of formation: -7036.126 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -17.34927E+0 00E+0 70.06307E+2 00E+0 00E+0
+      -Vm 220.76
+
+HMontmorillonite-HCK
+K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O
+      log_k 4.24
+      delta_h -119.73 #kJ/mol
+#     Enthalpy of formation: -6327.197 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -16.7358E+0 00E+0 62.53933E+2 00E+0 00E+0
+      -Vm 174.18
+
+HMontmorillonite-HCMg
+Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O
+      log_k 6.47
+      delta_h -133.713 #kJ/mol
+#     Enthalpy of formation: -7059.479 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -16.95551E+0 00E+0 69.84316E+2 00E+0 00E+0
+      -Vm 215.18
+
+HMontmorillonite-HCNa
+Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O
+      log_k 4.54
+      delta_h -132.492 #kJ/mol
+#     Enthalpy of formation: -6844.715 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -18.6716E+0 00E+0 69.20539E+2 00E+0 00E+0
+      -Vm 206.92
+
+HNontronite-Ca
+Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O
+      log_k -2.89
+      delta_h -111.618 #kJ/mol
+#     Enthalpy of formation: -6290.336 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -22.44463E+0 00E+0 58.30214E+2 00E+0 00E+0
+      -Vm 214.18
+
+HNontronite-K
+K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O
+      log_k 0.38
+      delta_h -118.278 #kJ/mol
+#     Enthalpy of formation: -5565.377 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -20.34142E+0 00E+0 61.7809E+2 00E+0 00E+0
+      -Vm 168.28
+
+HNontronite-Mg
+Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O
+      log_k -2.59
+      delta_h -111.018 #kJ/mol
+#     Enthalpy of formation: -6323.749 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -22.03952E+0 00E+0 57.98874E+2 00E+0 00E+0
+      -Vm 212.67
+
+HNontronite-Na
+Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O
+      log_k -3.14
+      delta_h -122.648 #kJ/mol
+#     Enthalpy of formation: -6094.355 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -24.62701E+0 00E+0 64.06351E+2 00E+0 00E+0
+      -Vm 201.57
 
 Ho(cr)
-Ho     = 1.000Ho+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   182.795     
-     delta_h -1126.687   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA
-     -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0
+Ho = Ho+3 + 3 e-
+      log_k 118.31
+      delta_h -707.042 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA
+      -analytic -55.58441E-1 00E+0 36.93138E+3 00E+0 00E+0
 
-Ho2(CO3)3(cr)
-Ho2(CO3)3     = 2.000Ho+3     + 3.000CO3-2
-     log_k   -33.800     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0
+Ho(OH)3(am)
+Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O
+      log_k 17.48 #98DIA/RAG
+      -analytic 17.48E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho(OH)3(s)
+Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O
+      log_k 15.43 #98DIA/RAG
+      -analytic 15.43E+0 00E+0 00E+0 00E+0 00E+0
+
+Ho(PO4):xH2O(s)
+Ho(PO4) = -2 H+ + Ho+3 + H2(PO4)-
+      log_k -4.64 #95SPA/BRU
+      -analytic -46.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Ho2(CO3)3(s)
+Ho2(CO3)3 = 2 Ho+3 + 3 CO3-2
+      log_k -33.8 #95SPA/BRU
+      -analytic -33.8E+0 00E+0 00E+0 00E+0 00E+0
 
 Ho2O3(s)
-Ho2O3     = - 6.000H+     + 2.000Ho+3     + 3.000H2O
-     log_k    47.410     
-     delta_h -390.718    #kJ/mol        
-     # Enthalpy of formation:           -1880.856        #kJ/mol        
-     -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0
+Ho2O3 = -6 H+ + 2 Ho+3 + 3 H2O
+      log_k 47.41
+      delta_h -390.706 #kJ/mol
+#     Enthalpy of formation: -1880.868 kJ/mol
+      -analytic -21.03875E+0 00E+0 20.408E+3 00E+0 00E+0
 
 HoCl3:6H2O(s)
-HoCl3:6H2O     = 1.000Ho+3     + 3.000Cl-     + 6.000H2O
-     log_k     5.390     #95SPA/BRU
-     delta_h  -43.855    #kJ/mol        
-     # Enthalpy of formation:           -2879.407        #kJ/mol        
-     -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0
+HoCl3:6H2O = Ho+3 + 3 Cl- + 6 H2O
+      log_k 5.39 #95SPA/BRU
+      delta_h -43.846 #kJ/mol
+#     Enthalpy of formation: -2879.413 kJ/mol
+      -analytic -22.91489E-1 00E+0 22.90236E+2 00E+0 00E+0
 
 HoF3:0.5H2O(s)
-HoF3:0.5H2O     = 1.000Ho+3     + 3.000F-     + 0.500H2O
-     log_k   -16.400     #95SPA/BRU
-     delta_h -149.007    #kJ/mol        
-     # Enthalpy of formation:           -1707        #kJ/mol        #82WAG/EVA
-     -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0
+HoF3:0.5H2O = Ho+3 + 3 F- + 0.5 H2O
+      log_k -16.4 #95SPA/BRU
+      delta_h -149.007 #kJ/mol
+#     Enthalpy of formation: -1707.000 kJ/mol  82WAG/EVA
+      -analytic -42.50491E+0 00E+0 77.83178E+2 00E+0 00E+0
 
 HoPO4:H2O(cr)
-HoPO4:H2O     = - 2.000H+     + 1.000Ho+3     + 1.000H2(PO4)-     + 1.000H2O
-     log_k    -5.560     #97LIU/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0
+HoPO4:H2O = -2 H+ + Ho+3 + H2(PO4)- + H2O
+      log_k -5.56 #97LIU/BYR
+      -analytic -55.6E-1 00E+0 00E+0 00E+0 00E+0
+
+HSaponite-Ca
+Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O
+      log_k 28.36
+      delta_h -239.662 #kJ/mol
+#     Enthalpy of formation: -7302.026 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -13.62698E+0 00E+0 12.51842E+3 00E+0 00E+0
+      -Vm 223.01
+
+HSaponite-FeCa
+Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O
+      log_k 27.97
+      delta_h -235.847 #kJ/mol
+#     Enthalpy of formation: -6929.136 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -13.34862E+0 00E+0 12.31915E+3 00E+0 00E+0
+      -Vm 225.59
+
+HSaponite-FeK
+K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O
+      log_k 28.11
+      delta_h -242.507 #kJ/mol
+#     Enthalpy of formation: -6204.177 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -14.3754E+0 00E+0 12.66702E+3 00E+0 00E+0
+      -Vm 179.69
+
+HSaponite-FeMg
+Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O
+      log_k 28.07
+      delta_h -235.257 #kJ/mol
+#     Enthalpy of formation: -6962.539 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -13.14526E+0 00E+0 12.28833E+3 00E+0 00E+0
+      -Vm 223.85
+
+HSaponite-FeNa
+Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O
+      log_k 27.72
+      delta_h -246.878 #kJ/mol
+#     Enthalpy of formation: -6733.155 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -15.53117E+0 00E+0 12.89534E+3 00E+0 00E+0
+      -Vm 212.99
+
+HSaponite-K
+K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O
+      log_k 28.49
+      delta_h -246.322 #kJ/mol
+#     Enthalpy of formation: -6577.067 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -14.66376E+0 00E+0 12.86629E+3 00E+0 00E+0
+      -Vm 177.11
+
+HSaponite-Mg
+Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O
+      log_k 28.48
+      delta_h -239.062 #kJ/mol
+#     Enthalpy of formation: -7335.439 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -13.40186E+0 00E+0 12.48708E+3 00E+0 00E+0
+      -Vm 221.08
+
+HSaponite-Na
+Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O
+      log_k 28.03
+      delta_h -250.288 #kJ/mol
+#     Enthalpy of formation: -7106.450 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -15.81858E+0 00E+0 13.07345E+3 00E+0 00E+0
+      -Vm 210.4
+
+HVermiculite-Ca
+Ca0.43Mg3Si3.14Al0.86O10(OH)2:4.45H2O = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.89 H2O
+      log_k 97.82
+      delta_h -683.046 #kJ/mol
+#     Enthalpy of formation: -7114.496 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -21.84452E+0 00E+0 35.67798E+3 00E+0 00E+0
+      -Vm 219.36
+
+HVermiculite-K
+K0.86Mg3Si3.14Al0.86O10(OH)2:1.96H2O = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 1.4 H2O
+      log_k 87.68
+      delta_h -609.749 #kJ/mol
+#     Enthalpy of formation: -6459.427 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -19.14344E+0 00E+0 31.84941E+3 00E+0 00E+0
+      -Vm 175.49
+
+HVermiculite-Mg
+Mg0.43Mg3Si3.14Al0.86O10(OH)2:4.61H2O = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 4.05 H2O
+      log_k 68.18
+      delta_h -523.376 #kJ/mol
+#     Enthalpy of formation: -7287.219 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -23.51154E+0 00E+0 27.33783E+3 00E+0 00E+0
+      -Vm 222.24
+
+HVermiculite-Na
+Na0.86Mg3Si3.14Al0.86O10(OH)2:3.84H2O = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.28 H2O
+      log_k 96.52
+      delta_h -673.353 #kJ/mol
+#     Enthalpy of formation: -6923.035 kJ/mol  13BLA/VI; 11VIE/BLA
+      -analytic -21.44638E+0 00E+0 35.17168E+3 00E+0 00E+0
+      -Vm 210.12
 
 Hydrocerussite
-Pb3(CO3)2(OH)2     = 3.000Pb+2     - 2.000H+     + 2.000CO3-2     + 2.000H2O
-     log_k   -17.910     
-     delta_h  -5.160     #kJ/mol        
-     # Enthalpy of formation:           -1914.2        #kJ/mol        #83SAN/BAR
-     -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0
+Pb3(CO3)2(OH)2 = 3 Pb+2 - 2 H+ + 2 CO3-2 + 2 H2O
+      log_k -17.91
+      delta_h -5.16 #kJ/mol
+#     Enthalpy of formation: -1914.200 kJ/mol  83SAN/BAR
+      -analytic -18.81399E+0 00E+0 26.95256E+1 00E+0 00E+0
 
 Hydrophilite
-CaCl2     = 1.000Ca+2     + 2.000Cl-
-     log_k    11.770     
-     delta_h  -81.360    #kJ/mol        
-     # Enthalpy of formation:           -795.8        #kJ/mol        #98CHA
-     -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0
+CaCl2 = Ca+2 + 2 Cl-
+      log_k 11.77
+      delta_h -81.36 #kJ/mol
+#     Enthalpy of formation: -795.800  kJ/mol  98CHA
+      -analytic -24.8366E-1 00E+0 42.49729E+2 00E+0 00E+0
 
 Hydrotalcite
-Mg4Al2(OH)14:3H2O     = 4.000Mg+2     + 2.000Al+3     - 14.000H+     + 17.000H2O
-     log_k    73.740     #92ATK/GLA
-     delta_h -583.985    #kJ/mol        
-     # Enthalpy of formation:           -7219.925        #kJ/mol        
-     -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0
+Mg4Al2(OH)14:3H2O = 4 Mg+2 + 2 Al+3 - 14 H+ + 17 H2O
+      log_k 73.74 #92ATK/GLA
+      delta_h -584.22 #kJ/mol
+#     Enthalpy of formation: -7219.684 kJ/mol
+      -analytic -28.61095E+0 00E+0 30.51594E+3 00E+0 00E+0
+      -Vm 227.36
 
 Hydrotalcite-CO3
-Mg4Al2(OH)12CO3:2H2O     = 4.000Mg+2     + 2.000Al+3     - 12.000H+     + 1.000CO3-2     + 14.000H2O
-     log_k    50.860     #03JOH/GLA
-     delta_h -542.565    #kJ/mol        
-     # Enthalpy of formation:           -7079.085        #kJ/mol        
-     -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0
+Mg4Al2(OH)12CO3:2H2O = 4 Mg+2 + 2 Al+3 - 12 H+ + CO3-2 + 14 H2O
+      log_k 50.86 #03JOH/GLA
+      delta_h -542.756 #kJ/mol
+#     Enthalpy of formation: -7078.889 kJ/mol
+      -analytic -44.22677E+0 00E+0 28.35012E+3 00E+0 00E+0
+      -Vm 231.46
 
 Hydroxyapatite
-Ca5(OH)(PO4)3     = 5.000Ca+2     - 7.000H+     + 3.000H2(PO4)-     + 1.000H2O
-     log_k    14.350     #84NAN
-     delta_h -178.487    #kJ/mol        
-     # Enthalpy of formation:           -6730.143        #kJ/mol        
-     -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0
+Ca5(OH)(PO4)3 = 5 Ca+2 - 7 H+ + 3 H2(PO4)- + H2O
+      log_k 14.35 #84NAN
+      delta_h -178.487 #kJ/mol
+#     Enthalpy of formation: -6730.141 kJ/mol
+      -analytic -16.91958E+0 00E+0 93.23025E+2 00E+0 00E+0
+      -Vm 159.6
 
-Illite-Al
-K0.85Al2.85Si3.15O10(OH)2     = 0.850K+     + 2.850Al+3     - 9.400H+     + 3.150H4(SiO4)     - 0.600H2O
-     log_k    13.020     
-     delta_h -266.372    #kJ/mol        
-     # Enthalpy of formation:           -5913.65        #kJ/mol        #15BLA/VIE
-     -analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0
+I2(cr)
+I2 = -2 e- + 2 I-
+      log_k 18.12
+      delta_h -113.56 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -17.74858E-1 00E+0 59.31652E+2 00E+0 00E+0
 
-Illite-FeII
-K0.85Fe0.25Al2.35Si3.4O10(OH)2     = 0.850K+     + 0.250Fe+2     + 2.350Al+3     - 8.400H+     + 3.400H4(SiO4)     - 1.600H2O
-     log_k     9.450     
-     delta_h -216.501    #kJ/mol        
-     # Enthalpy of formation:           -5796.29        #kJ/mol        #15BLA/VIE
-     -analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0
-
-Illite-Mg
-K0.85Mg0.25Al2.35Si3.4O10(OH)2     = 0.250Mg+2     + 0.850K+     + 2.350Al+3     - 8.400H+     + 3.400H4(SiO4)     - 1.600H2O
-     log_k    11.010     
-     delta_h -225.651    #kJ/mol        
-     # Enthalpy of formation:           -5881.39        #kJ/mol        #15BLA/VIE
-     -analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0
-
-Illite-Smec_ISCz-1(2.996H2O)
-(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O     = 0.218Mg+2     + 0.530K+     + 0.134Na+     + 0.050Fe+3     + 0.017Fe+2     + 2.152Al+3     - 7.740H+     + 3.565H4(SiO4)     + 0.736H2O
-     log_k    13.650     
-     delta_h -225.171    #kJ/mol        
-     # Enthalpy of formation:           -6624.62        #kJ/mol        #09GAI
-     -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0
-
-Illite/smectiteISCz-1
-(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2     = 0.092Ca+2     + 0.255Mg+2     + 0.439K+     + 0.034Fe+3     + 0.011Fe+2     + 2.169Al+3     - 7.764H+     + 3.559H4(SiO4)     - 2.236H2O
-     log_k    10.900     
-     delta_h -224.050    #kJ/mol        
-     # Enthalpy of formation:           -5787.4        #kJ/mol        #14BLA/GAI
-     -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0
+Illite/smectite ISCz-1
+(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092 Ca+2 + 0.255 Mg+2 + 0.439 K+ + 0.034 Fe+3 + 0.011 Fe+2 + 2.169 Al+3 - 7.764 H+ + 3.559 H4(SiO4) - 2.236 H2O
+      log_k 10.89
+      delta_h -224.089 #kJ/mol
+#     Enthalpy of formation: -5787.400 kJ/mol  14BLA/GAI
+      -analytic -28.36871E+0 00E+0 11.70498E+3 00E+0 00E+0
+      -Vm 137.13
 
 Illite_Imt-2
-(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2     = 0.241Mg+2     + 0.762K+     + 0.044Na+     + 0.292Fe+3     + 0.084Fe+2     + 2.040Al+3     - 8.452H+     + 3.387H4(SiO4)     - 1.548H2O
-     log_k    11.540     
-     delta_h -230.806    #kJ/mol        
-     # Enthalpy of formation:           -5711.25        #kJ/mol        #12GAI/BLA
-     -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0
+(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241 Mg+2 + 0.762 K+ + 0.044 Na+ + 0.292 Fe+3 + 0.084 Fe+2 + 2.04 Al+3 - 8.452 H+ + 3.387 H4(SiO4) - 1.548 H2O
+      log_k 11.52
+      delta_h -231.139 #kJ/mol
+#     Enthalpy of formation: -5711.250 kJ/mol  12GAI/BLA
+      -analytic -28.97381E+0 00E+0 12.07323E+3 00E+0 00E+0
+      -Vm 139.18
+
+Illite-Al
+K0.85Al2.85Si3.15O10(OH)2 = 0.85 K+ + 2.85 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O
+      log_k 13.02
+      delta_h -266.372 #kJ/mol
+#     Enthalpy of formation: -5913.650 kJ/mol  15BLA/VIE
+      -analytic -33.64637E+0 00E+0 13.91358E+3 00E+0 00E+0
+      -Vm 138.98
+
+Illite-FeII
+K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.85 K+ + 0.25 Fe+2 + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O
+      log_k 9.46
+      delta_h -216.574 #kJ/mol
+#     Enthalpy of formation: -5796.290 kJ/mol  15BLA/VIE
+      -analytic -28.48214E+0 00E+0 11.31245E+3 00E+0 00E+0
+      -Vm 140.67
+
+Illite-FeIII
+K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.85 K+ + 0.25 Fe+3 + 2.6 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O
+      log_k 12.36
+      delta_h -262.546 #kJ/mol
+#     Enthalpy of formation: -5795.390 kJ/mol  15BLA/VIE
+      -analytic -33.63608E+0 00E+0 13.71373E+3 00E+0 00E+0
+      -Vm 138.92
+
+Illite-Mg
+K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.25 Mg+2 + 0.85 K+ + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O
+      log_k 11.01
+      delta_h -225.651 #kJ/mol
+#     Enthalpy of formation: -5881.390 kJ/mol  15BLA/VIE
+      -analytic -28.52236E+0 00E+0 11.78657E+3 00E+0 00E+0
+      -Vm 140.06
+
+Illite-Smec_ISCz-1(2.996H2O)
+(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218 Mg+2 + 0.53 K+ + 0.134 Na+ + 0.05 Fe+3 + 0.017 Fe+2 + 2.152 Al+3 - 7.74 H+ + 3.565 H4(SiO4) + 0.736 H2O
+      log_k 13.61
+      delta_h -225.228 #kJ/mol
+#     Enthalpy of formation: -6624.620 kJ/mol  09GAI
+      -analytic -25.84825E+0 00E+0 11.76448E+3 00E+0 00E+0
+      -Vm 192.42
 
 Jaffeite
-Ca6(Si2O7)(OH)6     = 6.000Ca+2     - 12.000H+     + 2.000H4(SiO4)     + 5.000H2O
-     log_k   114.060     
-     delta_h -636.768    #kJ/mol        
-     # Enthalpy of formation:           -6972.77        #kJ/mol        #10BLA/BOU1
-     -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0
+Ca6(Si2O7)(OH)6 = 6 Ca+2 - 12 H+ + 2 H4(SiO4) + 5 H2O
+      log_k 114.06
+      delta_h -636.768 #kJ/mol
+#     Enthalpy of formation: -6972.770 kJ/mol  10BLA/BOU1
+      -analytic 25.03035E-1 00E+0 33.26071E+3 00E+0 00E+0
+      -Vm 174.38
 
 Jennite
-Ca9Si6O16(OH)10:6(H2O)     = 9.000Ca+2     - 18.000H+     + 6.000H4(SiO4)     + 8.000H2O
-     log_k   147.330     #10BLA/BOU1
-     delta_h -751.764    #kJ/mol        
-     # Enthalpy of formation:           -15189.04        #kJ/mol        #10BLA/BOU1
-     -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0
-
-K(NO3)(s)
-K(NO3)     = 1.000K+     + 1.000NO3-
-     log_k    -0.100     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1E-1 0E+0 0E+0 0E+0 0E+0
-
-K(OH)(s)
-K(OH)     = 1.000K+     - 1.000H+     + 1.000H2O
-     log_k    24.600     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
-
-K(TcO4)(s)
-K(TcO4)     = 1.000K+     + 1.000TcO4-
-     log_k    -2.280     
-     delta_h  53.560     #kJ/mol        
-     # Enthalpy of formation:           -1035.1        #kJ/mol        #99RAR/RAN
-     -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0
+Ca9Si6O16(OH)10:6H2O = 9 Ca+2 - 18 H+ + 6 H4(SiO4) + 8 H2O
+      log_k 147.33 #10BLA/BOU1
+      delta_h -751.764 #kJ/mol
+#     Enthalpy of formation: -15189.040kJ/mol  10BLA/BOU1
+      -analytic 15.6266E+0 00E+0 39.26737E+3 00E+0 00E+0
+      -Vm 456.4
 
 K(cr)
-K     = 1.000K+     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    70.985     
-     delta_h -392.022    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0
+K = K+ + e-
+      log_k 49.49
+      delta_h -252.14 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 53.16968E-1 00E+0 13.17019E+3 00E+0 00E+0
 
-K-carbonate
-K2CO3:1.5H2O     = 2.000K+     + 1.000CO3-2     + 1.500H2O
-     log_k     3.030     #84HAR/MOL
-     delta_h  -1.188     #kJ/mol        
-     # Enthalpy of formation:           -1607.067        #kJ/mol        
-     -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0
+K(NO3)(s)
+K(NO3) = K+ + NO3-
+      log_k -0.1 #96FAL/REA
+      -analytic -10E-2 00E+0 00E+0 00E+0 00E+0
 
-K-trona
-K2NaH(CO3)2:2H2O     = 2.000K+     + 1.000Na+     + 1.000H+     + 2.000CO3-2     + 2.000H2O
-     log_k    -9.100     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0
+K(OH)(s)
+K(OH) = K+ - H+ + H2O
+      log_k 24.6 #96FAL/REA
+      -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0
 
 K2CO3(cr)
-K2CO3     = 2.000K+     + 1.000CO3-2
-     log_k     5.410     
-     delta_h  -31.798    #kJ/mol        
-     # Enthalpy of formation:           -1147.712        #kJ/mol        
-     -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0
+K2CO3 = 2 K+ + CO3-2
+      log_k 5.41
+      delta_h -31.798 #kJ/mol 74NAU/RYZ
+#     Enthalpy of formation: -1147.712 kJ/mol
+      -analytic -16.07705E-2 00E+0 16.60925E+2 00E+0 00E+0
 
 K2O(s)
-K2O     = 2.000K+     - 2.000H+     + 1.000H2O
-     log_k    84.110     
-     delta_h -426.940    #kJ/mol        
-     # Enthalpy of formation:           -363.17        #kJ/mol        #98CHA
-     -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0
+K2O = 2 K+ - 2 H+ + H2O
+      log_k 84.11
+      delta_h -426.94 #kJ/mol
+#     Enthalpy of formation: -363.170  kJ/mol  98CHA
+      -analytic 93.13323E-1 00E+0 22.30063E+3 00E+0 00E+0
 
-K4NpO2(CO3)3(s)
-K4NpO2(CO3)3     = 4.000K+     + 1.000NpO2+2     + 3.000CO3-2
-     log_k   -26.400     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0
+K3NpO2(CO3)2(cr)
+K3NpO2(CO3)2 = 3 K+ + NpO2+ + 2 CO3-2
+      log_k -15.46 #03GUI/FAN
+      -analytic -15.46E+0 00E+0 00E+0 00E+0 00E+0
 
-KAl(SO4)2(s)
-KAl(SO4)2     = 1.000K+     + 1.000Al+3     + 2.000SO4-2
-     log_k     3.740     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0
-
-KAl(SO4)2:12H2O(s)
-KAl(SO4)2:12H2O     = 1.000K+     + 1.000Al+3     + 2.000SO4-2     + 12.000H2O
-     log_k    -6.680     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0
-
-KBr(s)
-KBr     = 1.000K+     + 1.000Br-
-     log_k     1.130     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
-
-KFe(CrO4)2:2H2O(s)
-KFe(CrO4)2:2H2O     = 1.000K+     + 1.000Fe+3     + 2.000CrO4-2     + 2.000H2O
-     log_k   -19.390     #98BAR/PAL
-     delta_h  27.540     #kJ/mol        #98BAR/PAL
-     # Enthalpy of formation:           -2658.34        #kJ/mol        
-     -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0
-
-KFe3(CrO4)2(OH)6(cr)
-KFe3(CrO4)2(OH)6     = 1.000K+     + 3.000Fe+3     - 6.000H+     + 2.000CrO4-2     + 6.000H2O
-     log_k   -18.400     #96BAR/PAL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0
-
-KH2PO4(cr)
-KH2PO4     = 1.000K+     + 1.000H2(PO4)-
-     log_k    -0.370     
-     delta_h  19.686     #kJ/mol        #74NAU/RYZ
-     # Enthalpy of formation:           -1574.426        #kJ/mol        
-     -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0
-
-KI(s)
-KI     = 1.000K+     + 1.000I-
-     log_k     1.740     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
+K4NpO2(CO3)3(cr)
+K4NpO2(CO3)3 = 4 K+ + NpO2+2 + 3 CO3-2
+      log_k -26.93 #01LEM/FUG
+      -analytic -26.93E+0 00E+0 00E+0 00E+0 00E+0
 
 Kainite
-KMgCl(SO4):3H2O     = 1.000Mg+2     + 1.000K+     + 1.000SO4-2     + 1.000Cl-     + 3.000H2O
-     log_k    -0.190     #84HAR/MOL
-     delta_h  -12.950    #kJ/mol        
-     # Enthalpy of formation:           -2640.1        #kJ/mol        #82WAG/EVA
-     -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0
+KMgCl(SO4):3H2O = Mg+2 + K+ + SO4-2 + Cl- + 3 H2O
+      log_k -0.19 #84HAR/MOL
+      delta_h -12.95 #kJ/mol
+#     Enthalpy of formation: -2640.100 kJ/mol  82WAG/EVA
+      -analytic -24.58743E-1 00E+0 67.64256E+1 00E+0 00E+0
+
+KAl(OH)4
+KAl(OH)4 = K+ + Al+3 - 4 H+ + 4 H2O
+      log_k 24.22
+      delta_h -211.675 #kJ/mol
+#     Enthalpy of formation: -1722.185 kJ/mol  97POK/HEL2
+      -analytic -12.86387E+0 00E+0 11.05656E+3 00E+0 00E+0
+
+KAl(SO4)2(s)
+KAl(SO4)2 = K+ + Al+3 + 2 SO4-2
+      log_k 3.74 #96FAL/REA
+      -analytic 37.4E-1 00E+0 00E+0 00E+0 00E+0
+
+KAl(SO4)2:12H2O(s)
+KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+      log_k -6.68 #96FAL/REA
+      -analytic -66.8E-1 00E+0 00E+0 00E+0 00E+0
 
 Kalicinite
-KHCO3     = 1.000K+     + 1.000H+     + 1.000CO3-2
-     log_k   -10.060     #84HAR/MOL
-     delta_h  34.950     #kJ/mol        
-     # Enthalpy of formation:           -962.32        #kJ/mol        #74NAU/RYZ
-     -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0
+KHCO3 = K+ + H+ + CO3-2
+      log_k -10.06 #84HAR/MOL
+      delta_h 34.95 #kJ/mol
+#     Enthalpy of formation: -962.320  kJ/mol  74NAU/RYZ
+      -analytic -39.37023E-1 00E+0 -18.25566E+2 00E+0 00E+0
 
 Kaolinite
-Al2(Si2O5)(OH)4     = 2.000Al+3     - 6.000H+     + 2.000H4(SiO4)     + 1.000H2O
-     log_k     6.510     
-     delta_h -169.718    #kJ/mol        
-     # Enthalpy of formation:           -4115.3        #kJ/mol        #01FIA/NAV
-     -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0
+Al2(Si2O5)(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O
+      log_k 6.5
+      delta_h -169.718 #kJ/mol
+#     Enthalpy of formation: -4115.300 kJ/mol  01FIA/NAV
+      -analytic -23.23332E+0 00E+0 88.64989E+2 00E+0 00E+0
+      -Vm 99.34
 
 Katoite
-Ca3Al2(SiO4)(OH)8     = 3.000Ca+2     + 2.000Al+3     - 12.000H+     + 1.000H4(SiO4)     + 8.000H2O
-     log_k    71.160     #10BLA/BOU2
-     delta_h -545.657    #kJ/mol        
-     # Enthalpy of formation:           -5907.977        #kJ/mol        
-     -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0
+Ca3Al2(SiO4)(OH)8 = 3 Ca+2 + 2 Al+3 - 12 H+ + H4(SiO4) + 8 H2O
+      log_k 71.16 #10BLA/BOU2
+      delta_h -545.767 #kJ/mol
+#     Enthalpy of formation: -5907.865 kJ/mol
+      -analytic -24.45427E+0 00E+0 28.5074E+3 00E+0 00E+0
+      -Vm 141.51
+
+K-Boltwoodite
+K(UO2)(SiO3OH):H2O = K+ + UO2+2 - 3 H+ + H4(SiO4) + H2O
+      log_k 4.48 #20GRE/GAO
+      delta_h -27.146 #kJ/mol
+#     Enthalpy of formation: -2991.019 kJ/mol
+      -analytic -27.57751E-2 00E+0 14.17934E+2 00E+0 00E+0
+
+KBr(s)
+KBr = K+ + Br-
+      log_k 1.13 #96FAL/REA
+      -analytic 11.3E-1 00E+0 00E+0 00E+0 00E+0
+
+K-carbonate
+K2CO3:1.5H2O = 2 K+ + CO3-2 + 1.5 H2O
+      log_k 3.03 #84HAR/MOL
+      delta_h -1.188 #kJ/mol
+#     Enthalpy of formation: -1607.068 kJ/mol
+      -analytic 28.21871E-1 00E+0 62.05356E+0 00E+0 00E+0
+
+KFe(CrO4)2:2H2O(s)
+KFe(CrO4)2:2H2O = K+ + Fe+3 + 2 CrO4-2 + 2 H2O
+      log_k -19.39 #98BAR/PAL
+      delta_h 27.54 #kJ/mol 98BAR/PAL
+#     Enthalpy of formation: -2659.396 kJ/mol
+      -analytic -14.5652E+0 00E+0 -14.38514E+2 00E+0 00E+0
+
+KFe3(CrO4)2(OH)6(cr)
+KFe3(CrO4)2(OH)6 = K+ + 3 Fe+3 - 6 H+ + 2 CrO4-2 + 6 H2O
+      log_k -18.4 #96BAR/PAL
+      -analytic -18.4E+0 00E+0 00E+0 00E+0 00E+0
+
+KH2PO4
+KH2PO4 = K+ + H2(PO4)-
+      log_k -0.44 #97MAR/SMI
+      -analytic -44E-2 00E+0 00E+0 00E+0 00E+0
+
+KH2PO4(cr)
+KH2PO4 = K+ + H2(PO4)-
+      log_k -0.37
+      delta_h 19.686 #kJ/mol 74NAU/RYZ
+#     Enthalpy of formation: -1574.426 kJ/mol
+      -analytic 30.78839E-1 00E+0 -10.28271E+2 00E+0 00E+0
+
+KI(s)
+KI = K+ + I-
+      log_k 1.74 #96FAL/REA
+      -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0
+
+KNpO2CO3(cr)
+KNpO2CO3 = K+ + NpO2+ + CO3-2
+      log_k -13.15 #03GUI/FAN
+      -analytic -13.15E+0 00E+0 00E+0 00E+0 00E+0
+
+KTcO4(cr)
+KTcO4 = K+ + TcO4-
+      log_k -2.29 #99RAR/RAN
+      delta_h 53.26 #kJ/mol 99RAR/RAN
+#     Enthalpy of formation: -1034.800 kJ/mol
+      -analytic 70.40751E-1 00E+0 -27.81964E+2 00E+0 00E+0
+
+K-trona
+K2NaH(CO3)2:2H2O = 2 K+ + Na+ + H+ + 2 CO3-2 + 2 H2O
+      log_k -9.1 #84HAR/MOL
+      -analytic -91E-1 00E+0 00E+0 00E+0 00E+0
 
 Lanarkite
-PbSO4:PbO     = 2.000Pb+2     - 2.000H+     + 1.000SO4-2     + 1.000H2O
-     log_k     2.630     #82ABD/THO
-     delta_h  -39.234    #kJ/mol        
-     # Enthalpy of formation:           -1154.096        #kJ/mol        
-     -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0
+PbSO4:PbO = 2 Pb+2 - 2 H+ + SO4-2 + H2O
+      log_k 2.63 #82ABD/THO
+      delta_h -39.234 #kJ/mol
+#     Enthalpy of formation: -1154.096 kJ/mol
+      -analytic -42.43502E-1 00E+0 20.49335E+2 00E+0 00E+0
+
+Langite
+Cu4SO4(OH)6:H2O = 4 Cu+2 - 6 H+ + SO4-2 + 7 H2O
+      log_k 17.49
+      delta_h -165.074 #kJ/mol
+#     Enthalpy of formation: -2485.474 kJ/mol
+      -analytic -11.42972E+0 00E+0 86.22416E+2 00E+0 00E+0
 
 Lansfordite
-Mg(CO3):5H2O     = 1.000Mg+2     + 1.000CO3-2     + 5.000H2O
-     log_k    -5.040     
-     delta_h   2.890     #kJ/mol        
-     # Enthalpy of formation:           -2574.27        #kJ/mol        #99KON/KON
-     -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0
+Mg(CO3):5H2O = Mg+2 + CO3-2 + 5 H2O
+      log_k -5.04
+      delta_h 2.89 #kJ/mol
+#     Enthalpy of formation: -2574.270 kJ/mol  99KON/KON
+      -analytic -45.33694E-1 00E+0 -15.09552E+1 00E+0 00E+0
 
 Laumontite
-CaAl2Si4O12:4H2O     = 1.000Ca+2     + 2.000Al+3     - 8.000H+     + 4.000H4(SiO4)
-     log_k    11.700     
-     delta_h -213.576    #kJ/mol        
-     # Enthalpy of formation:           -7251        #kJ/mol        #96KIS/NAV
-     -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0
+CaAl2Si4O12:4H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4)
+      log_k 11.67
+      delta_h -213.576 #kJ/mol
+#     Enthalpy of formation: -7251.000 kJ/mol  96KIS/NAV
+      -analytic -25.74691E+0 00E+0 11.15585E+3 00E+0 00E+0
+      -Vm 207.53
 
 Laurionite
-PbClOH     = 1.000Pb+2     - 1.000H+     + 1.000Cl-     + 1.000H2O
-     log_k     0.620     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
+PbClOH = Pb+2 - H+ + Cl- + H2O
+      log_k 0.62 #99LOT/OCH
+      -analytic 62E-2 00E+0 00E+0 00E+0 00E+0
 
 Lawrencite
-FeCl2     = 1.000Fe+2     + 2.000Cl-
-     log_k     8.890     
-     delta_h  -82.460    #kJ/mol        
-     # Enthalpy of formation:           -341.7        #kJ/mol        #95ROB/HEM
-     -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0
+FeCl2 = Fe+2 + 2 Cl-
+      log_k 8.93
+      delta_h -82.921 #kJ/mol
+#     Enthalpy of formation: -341.534  kJ/mol  13LEM/BER
+      -analytic -55.97136E-1 00E+0 43.31265E+2 00E+0 00E+0
 
 Leonhardtite
-MgSO4:4H2O     = 1.000Mg+2     + 1.000SO4-2     + 4.000H2O
-     log_k    -0.890     #80HAR/WEA
-     delta_h  -24.030    #kJ/mol        
-     # Enthalpy of formation:           -2495.63        #kJ/mol        #74NAU/RYZ
-     -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0
+MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O
+      log_k -0.89 #80HAR/WEA
+      delta_h -24.03 #kJ/mol
+#     Enthalpy of formation: -2495.630 kJ/mol  74NAU/RYZ
+      -analytic -50.99875E-1 00E+0 12.55174E+2 00E+0 00E+0
 
 Leonite
-K2Mg(SO4)2:4H2O     = 1.000Mg+2     + 2.000K+     + 2.000SO4-2     + 4.000H2O
-     log_k    -3.980     #84HAR/MOL
-     delta_h  15.290     #kJ/mol        
-     # Enthalpy of formation:           -3948.57        #kJ/mol        #74NAU/RYZ
-     -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0
+K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
+      log_k -3.98 #84HAR/MOL
+      delta_h 15.29 #kJ/mol
+#     Enthalpy of formation: -3948.570 kJ/mol  74NAU/RYZ
+      -analytic -13.01307E-1 00E+0 -79.86523E+1 00E+0 00E+0
 
 Lepidocrocite
-FeOOH     = 1.000Fe+3     - 3.000H+     + 2.000H2O
-     log_k     0.750     #98DIA2 in 98CHI
-     delta_h  -64.260    #kJ/mol        
-     # Enthalpy of formation:           -556.4        #kJ/mol        
-     -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0
+FeOOH = Fe+3 - 3 H+ + 2 H2O
+      log_k 1.86
+      delta_h -72.516 #kJ/mol
+#     Enthalpy of formation: -549.200  kJ/mol  13LEM/BER
+      -analytic -10.84426E+0 00E+0 37.87774E+2 00E+0 00E+0
+
+Li(cr)
+Li = e- + Li+
+      log_k 51.32
+      delta_h -278.47 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 25.3415E-1 00E+0 14.5455E+3 00E+0 00E+0
+
+Liebigite
+Ca2UO2(CO3)3:10H2O = 2 Ca+2 + UO2+2 + 3 CO3-2 + 10 H2O
+      log_k -32.3 #19LEE/AMA
+      delta_h 55.71 #kJ/mol
+#     Enthalpy of formation: -7044.700 kJ/mol  20GRE/GAO
+      -analytic -22.54003E+0 00E+0 -29.09936E+2 00E+0 00E+0
 
 Linnaeite
-Co3S4      = 3.000Co+2     - 2.000H+     + 4.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -85.750     
-     delta_h  416.263    #kJ/mol        
-     # Enthalpy of formation:           -374.5        #kJ/mol        #95ROB/HEM
-     -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0
+Co3S4 = 3 Co+2 - 4 H+ - 2 e- + 4 HS-
+      log_k -42.76
+      delta_h 136.5 #kJ/mol
+#     Enthalpy of formation: -374.500  kJ/mol  95ROB/HEM
+      -analytic -18.84623E+0 00E+0 -71.29892E+2 00E+0 00E+0
 
 Litharge
-PbO     = 1.000Pb+2     - 2.000H+     + 1.000H2O
-     log_k    12.630     
-     delta_h  -65.501    #kJ/mol        
-     # Enthalpy of formation:           -219.409        #kJ/mol        #98CHA
-     -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0
+PbO = Pb+2 - 2 H+ + H2O
+      log_k 12.63
+      delta_h -65.501 #kJ/mol
+#     Enthalpy of formation: -219.409  kJ/mol  98CHA
+      -analytic 11.54717E-1 00E+0 34.21356E+2 00E+0 00E+0
 
 Lizardite
-Mg3Si2O5(OH)4     = 3.000Mg+2     - 6.000H+     + 2.000H4(SiO4)     + 1.000H2O
-     log_k    33.100     
-     delta_h -247.218    #kJ/mol        
-     # Enthalpy of formation:           -4362        #kJ/mol        #04EVA
-     -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0
+Mg3Si2O5(OH)4 = 3 Mg+2 - 6 H+ + 2 H4(SiO4) + H2O
+      log_k 33.08
+      delta_h -247.218 #kJ/mol
+#     Enthalpy of formation: -4362.000 kJ/mol  04EVA
+      -analytic -10.23073E+0 00E+0 12.9131E+3 00E+0 00E+0
+      -Vm 107.5
 
 Mackinawite
-FeS     = 1.000Fe+2     - 1.000H+     + 1.000HS-
-     log_k    -3.600     #91DAV
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
+FeS = Fe+2 - H+ + HS-
+      log_k -3.19 #20LEM/PAL
+      -analytic -31.9E-1 00E+0 00E+0 00E+0 00E+0
+      -Vm 20.45
 
-Maghemite(disord)
-Fe2O3     = 2.000Fe+3     - 6.000H+     + 3.000H2O
-     log_k     3.310     #98DIA1 in 98CHI
-     delta_h -149.690    #kJ/mol        
-     # Enthalpy of formation:           -805.8        #kJ/mol        
-     -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0
-
-Maghemite(ord)
-Fe2O3     = 2.000Fe+3     - 6.000H+     + 3.000H2O
-     log_k     3.520     #98DIA1 in 98CHI
-     delta_h -149.690    #kJ/mol        
-     # Enthalpy of formation:           -805.8        #kJ/mol        
-     -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0
+Maghemite
+Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O
+      log_k 2.79
+      delta_h -149.612 #kJ/mol
+#     Enthalpy of formation: -807.990  kJ/mol  13LEM/BER
+      -analytic -23.4209E+0 00E+0 78.14779E+2 00E+0 00E+0
 
 Magnesite(nat)
-MgCO3     = 1.000Mg+2     + 1.000CO3-2
-     log_k    -8.910     
-     delta_h  -24.290    #kJ/mol        
-     # Enthalpy of formation:           -1117.94        #kJ/mol        #99KON/KON
-     -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0
+MgCO3 = Mg+2 + CO3-2
+      log_k -8.91
+      delta_h -24.29 #kJ/mol
+#     Enthalpy of formation: -1117.940 kJ/mol  99KON/KON
+      -analytic -13.16543E+0 00E+0 12.68755E+2 00E+0 00E+0
 
 Magnesite(syn)
-Mg(CO3)     = 1.000Mg+2     + 1.000CO3-2
-     log_k    -8.100     
-     delta_h  -28.930    #kJ/mol        
-     # Enthalpy of formation:           -1113.3        #kJ/mol        #95ROB/HEM
-     -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0
+Mg(CO3) = Mg+2 + CO3-2
+      log_k -8.1
+      delta_h -28.93 #kJ/mol
+#     Enthalpy of formation: -1113.300 kJ/mol  95ROB/HEM
+      -analytic -13.16832E+0 00E+0 15.11119E+2 00E+0 00E+0
 
 Magnetite
-Fe3O4      = 2.000Fe+3     + 1.000Fe+2     - 8.000H+     + 4.000H2O
-     log_k    10.410     
-     delta_h -215.920    #kJ/mol        
-     # Enthalpy of formation:           -1115.4        #kJ/mol        #88ONE
-     -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0
+Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O
+      log_k 10.34
+      delta_h -217.947 #kJ/mol
+#     Enthalpy of formation: -1115.780 kJ/mol  13LEM/BER
+      -analytic -27.84268E+0 00E+0 11.38416E+3 00E+0 00E+0
+      -Vm 44.52
+
+Malachite
+Cu2CO3(OH)2 = 2 Cu+2 - 2 H+ + CO3-2 + 2 H2O
+      log_k -5.18 #91BAL/NOR in 07POW/BRO
+      delta_h -51.649 #kJ/mol
+#     Enthalpy of formation: -1065.441 kJ/mol
+      -analytic -14.22852E+0 00E+0 26.97815E+2 00E+0 00E+0
 
 Manganite
-MnOOH     = 1.000Mn+2     - 2.000H+     + 1.500H2O     + 0.250O2
-     log_k     3.775     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0
+MnOOH = Mn+2 - 3 H+ - e- + 2 H2O
+      log_k 25.27 #96FAL/REA
+      -analytic 25.27E+0 00E+0 00E+0 00E+0 00E+0
 
 Margarite
-CaAl4Si2O10(OH)2     = 1.000Ca+2     + 4.000Al+3     - 14.000H+     + 2.000H4(SiO4)     + 4.000H2O
-     log_k    37.000     
-     delta_h -518.308    #kJ/mol        
-     # Enthalpy of formation:           -6244        #kJ/mol        #95ROB/HEM
-     -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0
+CaAl4Si2O10(OH)2 = Ca+2 + 4 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O
+      log_k 36.99
+      delta_h -518.308 #kJ/mol
+#     Enthalpy of formation: -6244.000 kJ/mol  95ROB/HEM
+      -analytic -53.81366E+0 00E+0 27.07311E+3 00E+0 00E+0
+      -Vm 129.63
 
 Massicot
-PbO     = 1.000Pb+2     - 2.000H+     + 1.000H2O
-     log_k    12.740     
-     delta_h  -66.848    #kJ/mol        
-     # Enthalpy of formation:           -218.062        #kJ/mol        #98CHA
-     -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0
+PbO = Pb+2 - 2 H+ + H2O
+      log_k 12.74
+      delta_h -66.848 #kJ/mol
+#     Enthalpy of formation: -218.062  kJ/mol  98CHA
+      -analytic 10.28733E-1 00E+0 34.91714E+2 00E+0 00E+0
 
 Melanterite
-FeSO4:7H2O      = 1.000Fe+2     + 1.000SO4-2     + 7.000H2O
-     log_k    -2.210     #90NOR/PLU
-     delta_h  20.543     #kJ/mol        
-     # Enthalpy of formation:           -3020.693        #kJ/mol        
-     -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0
+FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+      log_k -2.28
+      delta_h 12.067 #kJ/mol
+#     Enthalpy of formation: -3012.512 kJ/mol  13LEM/BER
+      -analytic -16.59523E-2 00E+0 -63.03033E+1 00E+0 00E+0
 
 Mercallite
-KHSO4     = 1.000K+     + 1.000H+     + 1.000SO4-2
-     log_k    -1.400     #84HAR/MOL
-     delta_h  -0.590     #kJ/mol        
-     # Enthalpy of formation:           -1160.89        #kJ/mol        #74NAU/RYZ
-     -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0
+KHSO4 = K+ + H+ + SO4-2
+      log_k -1.4 #84HAR/MOL
+      delta_h -0.59 #kJ/mol
+#     Enthalpy of formation: -1160.890 kJ/mol  74NAU/RYZ
+      -analytic -15.03364E-1 00E+0 30.81785E+0 00E+0 00E+0
 
 Merlinoite_K
-K1.04Al1.04Si1.96O6:1.69H2O     = 1.040K+     + 1.040Al+3     - 4.160H+     + 1.960H4(SiO4)     - 0.150H2O
-     log_k     9.490     
-     delta_h -105.627    #kJ/mol        
-     # Enthalpy of formation:           -3537.6        #kJ/mol        #09BLA
-     -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0
+K1.04Al1.04Si1.96O6:1.69H2O = 1.04 K+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) - 0.15 H2O
+      log_k 9.47
+      delta_h -105.627 #kJ/mol
+#     Enthalpy of formation: -3537.600 kJ/mol  09BLA
+      -analytic -90.35056E-1 00E+0 55.17282E+2 00E+0 00E+0
+      -Vm 112.91
 
 Merlinoite_Na
-Na1.04Al1.04Si1.96O6:2.27H2O     = 1.040Na+     + 1.040Al+3     - 4.160H+     + 1.960H4(SiO4)     + 0.430H2O
-     log_k    10.300     
-     delta_h -115.307    #kJ/mol        
-     # Enthalpy of formation:           -3681.43        #kJ/mol        #09BLA
-     -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0
+Na1.04Al1.04Si1.96O6:2.27H2O = 1.04 Na+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) + 0.43 H2O
+      log_k 10.29
+      delta_h -115.307 #kJ/mol
+#     Enthalpy of formation: -3681.430 kJ/mol  09BLA
+      -analytic -99.10919E-1 00E+0 60.22904E+2 00E+0 00E+0
+      -Vm 114.04
 
-Mg(HPO4):3H2O(s)
-Mg(HPO4):3H2O     = 1.000Mg+2     - 1.000H+     + 1.000H2(PO4)-     + 3.000H2O
-     log_k     1.410     #01WEN/MUS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0
+Metacinnabar
+HgS = - H+ + HS- + Hg+2
+      log_k -38.53
+      delta_h 200.41 #kJ/mol
+#     Enthalpy of formation: -46.500   kJ/mol  95ROB/HEM
+      -analytic -34.19675E-1 00E+0 -10.46814E+3 00E+0 00E+0
 
-Mg(NO3)2(s)
-Mg(NO3)2     = 1.000Mg+2     + 2.000NO3-
-     log_k    15.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
-
-Mg(NO3)2:6H2O(s)
-Mg(NO3)2:6H2O     = 1.000Mg+2     + 2.000NO3-     + 6.000H2O
-     log_k     2.580     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
-
-Mg(SO4)(s)
-Mg(SO4)     = 1.000Mg+2     + 1.000SO4-2
-     log_k     9.100     
-     delta_h -114.550    #kJ/mol        
-     # Enthalpy of formation:           -1261.79        #kJ/mol        #98CHA
-     -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0
-
-Mg(SO4):H2O(s)
-Mg(SO4):H2O     = 1.000Mg+2     + 1.000SO4-2     + 1.000H2O
-     log_k    -0.120     #84HAR/MOL
-     delta_h  -51.464    #kJ/mol        
-     # Enthalpy of formation:           -1610.706        #kJ/mol        
-     -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0
-
-Mg(SeO3):6H2O(s)
-Mg(SeO3):6H2O     = 1.000Mg+2     + 1.000SeO3-2     + 6.000H2O
-     log_k    -5.820     #05OLI/NOL
-     delta_h  18.070     #kJ/mol        
-     # Enthalpy of formation:           -2707.21        #kJ/mol        #05OLI/NOL
-     -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0
-
-Mg(SeO4):6H2O(s)
-Mg(SeO4):6H2O     = 1.000Mg+2     + 1.000SeO4-2     + 6.000H2O
-     log_k    -1.133     #05OLI/NOL
-     delta_h  -4.080     #kJ/mol        
-     # Enthalpy of formation:           -2781.4        #kJ/mol        #05OLI/NOL
-     -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0
+Metaschoepite
+UO3:2H2O = UO2+2 - 2 H+ + 3 H2O
+      log_k 5.35 #20GRE/GAO
+      -analytic 53.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Mg(cr)
-Mg     = 1.000Mg+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k   122.770     
-     delta_h -746.763    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0
+Mg = Mg+2 + 2 e-
+      log_k 79.78
+      delta_h -467 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -20.34888E-1 00E+0 24.39311E+3 00E+0 00E+0
 
-Mg-oxychlorur
-Mg2Cl(OH)3:4H2O     = 2.000Mg+2     - 3.000H+     + 1.000Cl-     + 7.000H2O
-     log_k    26.030     #84HAR/MOL
-     delta_h -154.690    #kJ/mol        
-     # Enthalpy of formation:           -2947.2        #kJ/mol        #82WAG/EVA
-     -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0
+Mg(HPO4):3H2O(s)
+Mg(HPO4):3H2O = Mg+2 - H+ + H2(PO4)- + 3 H2O
+      log_k 1.41 #01WEN/MUS
+      -analytic 14.1E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg(NO3)2(s)
+Mg(NO3)2 = Mg+2 + 2 NO3-
+      log_k 15.5 #96FAL/REA
+      -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0
+
+Mg(NO3)2:6H2O(s)
+Mg(NO3)2:6H2O = Mg+2 + 2 NO3- + 6 H2O
+      log_k 2.58 #96FAL/REA
+      -analytic 25.8E-1 00E+0 00E+0 00E+0 00E+0
+
+Mg(SeO3):6H2O(s)
+Mg(SeO3):6H2O = Mg+2 + SeO3-2 + 6 H2O
+      log_k -5.82 #05OLI/NOL
+      delta_h 18.07 #kJ/mol
+#     Enthalpy of formation: -2707.210 kJ/mol  05OLI/NOL
+      -analytic -26.54272E-1 00E+0 -94.38618E+1 00E+0 00E+0
+
+Mg(SeO4):6H2O(s)
+Mg(SeO4):6H2O = Mg+2 + SeO4-2 + 6 H2O
+      log_k -1.13 #05OLI/NOL
+      delta_h -4.08 #kJ/mol
+#     Enthalpy of formation: -2781.400 kJ/mol  05OLI/NOL
+      -analytic -18.44785E-1 00E+0 21.31132E+1 00E+0 00E+0
+
+Mg(SO4)(s)
+Mg(SO4) = Mg+2 + SO4-2
+      log_k 9.1
+      delta_h -114.55 #kJ/mol
+#     Enthalpy of formation: -1261.790 kJ/mol  98CHA
+      -analytic -10.9683E+0 00E+0 59.83363E+2 00E+0 00E+0
+
+Mg(SO4):H2O(s)
+Mg(SO4):H2O = Mg+2 + SO4-2 + H2O
+      log_k -0.12 #84HAR/MOL
+      delta_h -51.464 #kJ/mol
+#     Enthalpy of formation: -1610.705 kJ/mol
+      -analytic -91.36106E-1 00E+0 26.88152E+2 00E+0 00E+0
 
 Mg3(PO4)2(cr)
-Mg3(PO4)2     = 3.000Mg+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    15.820     #68RAC/SOP
-     delta_h -214.093    #kJ/mol        
-     # Enthalpy of formation:           -3792.107        #kJ/mol        
-     -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0
+Mg3(PO4)2 = 3 Mg+2 - 4 H+ + 2 H2(PO4)-
+      log_k 15.82 #68RAC/SOP
+      delta_h -214.093 #kJ/mol
+#     Enthalpy of formation: -3792.106 kJ/mol
+      -analytic -21.68748E+0 00E+0 11.18286E+3 00E+0 00E+0
 
 Mg3(PO4)2:22H2O(s)
-Mg3(PO4)2:22H2O     = 3.000Mg+2     - 4.000H+     + 2.000H2(PO4)-     + 22.000H2O
-     log_k    16.000     #63TAY/FRA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
+Mg3(PO4)2:22H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 22 H2O
+      log_k 16 #63TAY/FRA
+      -analytic 16E+0 00E+0 00E+0 00E+0 00E+0
 
 Mg3(PO4)2:8H2O(s)
-Mg3(PO4)2:8H2O     = 3.000Mg+2     - 4.000H+     + 2.000H2(PO4)-     + 8.000H2O
-     log_k    13.900     #63TAY/FRA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
+Mg3(PO4)2:8H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 8 H2O
+      log_k 13.9 #63TAY/FRA
+      -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0
 
 Mg5(CO3)4(OH)2:4H2O(s)
-Mg5(CO3)4(OH)2:4H2O     = 5.000Mg+2     - 2.000H+     + 4.000CO3-2     + 6.000H2O
-     log_k   -10.310     
-     delta_h -234.900    #kJ/mol        
-     # Enthalpy of formation:           -6516        #kJ/mol        #73ROB/HEM
-     -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0
+Mg5(CO3)4(OH)2:4H2O = 5 Mg+2 - 2 H+ + 4 CO3-2 + 6 H2O
+      log_k -10.31
+      delta_h -234.9 #kJ/mol
+#     Enthalpy of formation: -6516.000 kJ/mol  73ROB/HEM
+      -analytic -51.46271E+0 00E+0 12.26968E+3 00E+0 00E+0
 
 MgBr2(s)
-MgBr2     = 1.000Mg+2     + 2.000Br-
-     log_k    27.800     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0
+MgBr2 = Mg+2 + 2 Br-
+      log_k 27.8 #96FAL/REA
+      -analytic 27.8E+0 00E+0 00E+0 00E+0 00E+0
 
 MgBr2:6H2O(s)
-MgBr2:6H2O     = 1.000Mg+2     + 2.000Br-     + 6.000H2O
-     log_k     5.220     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
+MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O
+      log_k 5.22 #96FAL/REA
+      -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0
 
 MgCl2(s)
-MgCl2     = 1.000Mg+2     + 2.000Cl-
-     log_k    22.030     
-     delta_h -159.540    #kJ/mol        
-     # Enthalpy of formation:           -641.62        #kJ/mol        #98CHA
-     -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0
+MgCl2 = Mg+2 + 2 Cl-
+      log_k 22.03
+      delta_h -159.54 #kJ/mol
+#     Enthalpy of formation: -641.620  kJ/mol  98CHA
+      -analytic -59.20208E-1 00E+0 83.33355E+2 00E+0 00E+0
 
 MgCl2:2H2O(s)
-MgCl2:2H2O     = 1.000Mg+2     + 2.000Cl-     + 2.000H2O
-     log_k    12.900     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
+MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O
+      log_k 12.9 #96FAL/REA
+      -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0
 
 MgCl2:4H2O(s)
-MgCl2:4H2O     = 1.000Mg+2     + 2.000Cl-     + 4.000H2O
-     log_k     7.440     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0
+MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O
+      log_k 7.44 #96FAL/REA
+      -analytic 74.4E-1 00E+0 00E+0 00E+0 00E+0
 
 MgCl2:H2O(s)
-MgCl2:H2O     = 1.000Mg+2     + 2.000Cl-     + 1.000H2O
-     log_k    16.220     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0
+MgCl2:H2O = Mg+2 + 2 Cl- + H2O
+      log_k 16.22 #96FAL/REA
+      -analytic 16.22E+0 00E+0 00E+0 00E+0 00E+0
 
-MgCrO4(s)
-MgCrO4     = 1.000Mg+2     + 1.000CrO4-2
-     log_k   -86.990     
-     delta_h  437.600    #kJ/mol        
-     # Enthalpy of formation:           -1783.6        #kJ/mol        #95ROB/HEM
-     -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0
+MgCr2O4(s)
+MgCr2O4 = Mg+2 - 8 H+ + 2 Cr+3 + 4 H2O
+      log_k 22.17
+      delta_h -307.72 #kJ/mol
+#     Enthalpy of formation: -1783.600 kJ/mol  95ROB/HEM
+      -analytic -31.74023E+0 00E+0 16.07334E+3 00E+0 00E+0
 
 MgF2(cr)
-MgF2     = 1.000Mg+2     + 2.000F-
-     log_k    -9.220     #92GRE/FUG
-     delta_h  -13.500    #kJ/mol        
-     # Enthalpy of formation:           -1124.2        #kJ/mol        
-     -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0
+MgF2 = Mg+2 + 2 F-
+      log_k -9.22
+      delta_h -13.5 #kJ/mol
+#     Enthalpy of formation: -1124.200 kJ/mol  92GRE/FUG
+      -analytic -11.5851E+0 00E+0 70.51541E+1 00E+0 00E+0
 
 MgI2(s)
-MgI2     = 1.000Mg+2     + 2.000I-
-     log_k    35.000     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0
+MgI2 = Mg+2 + 2 I-
+      log_k 35 #96FAL/REA
+      -analytic 35E+0 00E+0 00E+0 00E+0 00E+0
 
 MgMoO4(s)
-MgMoO4     = 1.000Mg+2     + 1.000MoO4-2
-     log_k    -0.640     
-     delta_h  -62.967    #kJ/mol        
-     # Enthalpy of formation:           -1401.033        #kJ/mol        
-     -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0
+MgMoO4 = Mg+2 + MoO4-2
+      log_k -0.64
+      delta_h -62.966 #kJ/mol
+#     Enthalpy of formation: -1401.033 kJ/mol
+      -analytic -11.67117E+0 00E+0 32.88943E+2 00E+0 00E+0
+
+Mg-oxychlorur
+Mg2Cl(OH)3:4H2O = 2 Mg+2 - 3 H+ + Cl- + 7 H2O
+      log_k 26.03 #84HAR/MOL
+      delta_h -154.69 #kJ/mol
+#     Enthalpy of formation: -2947.200 kJ/mol  82WAG/EVA
+      -analytic -10.70525E-1 00E+0 80.80021E+2 00E+0 00E+0
 
 Microcline
-KAlSi3O8     = 1.000K+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 4.000H2O
-     log_k     0.050     
-     delta_h  -56.463    #kJ/mol        
-     # Enthalpy of formation:           -3974.34        #kJ/mol        #99ARN/STE
-     -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0
+KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O
+      log_k 0.05
+      delta_h -56.462 #kJ/mol
+#     Enthalpy of formation: -3974.340 kJ/mol  99ARN/STE
+      -analytic -98.41718E-1 00E+0 29.49216E+2 00E+0 00E+0
+      -Vm 108.74
 
 Millerite
-NiS      = 1.000Ni+2     - 1.000H+     + 1.000HS-
-     log_k   -10.130     
-     delta_h  22.688     #kJ/mol        
-     # Enthalpy of formation:           -94        #kJ/mol        #05GAM/BUG
-     -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0
+NiS = Ni+2 - H+ + HS-
+      log_k -10.13
+      delta_h 22.688 #kJ/mol
+#     Enthalpy of formation: -94.000   kJ/mol  05GAM/BUG
+      -analytic -61.55233E-1 00E+0 -11.85077E+2 00E+0 00E+0
 
 Minium
-Pb3O4     = 3.000Pb+2     - 6.000H+     + 3.000H2O     + 0.500O2
-     log_k    30.540     
-     delta_h -142.111    #kJ/mol        
-     # Enthalpy of formation:           -718.686        #kJ/mol        
-     -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0
+Pb3O4 = 3 Pb+2 - 8 H+ - 2 e- + 4 H2O
+      log_k 73.53
+      delta_h -421.874 #kJ/mol
+#     Enthalpy of formation: -718.686  kJ/mol  98CHA
+      -analytic -37.91522E-2 00E+0 22.03601E+3 00E+0 00E+0
 
 Minnesotaite
-Fe3Si4O10(OH)2     = 3.000Fe+2     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k    14.930     
-     delta_h -148.466    #kJ/mol        
-     # Enthalpy of formation:           -4822.99        #kJ/mol        #83MIY/KLE
-     -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0
+Fe3Si4O10(OH)2 = 3 Fe+2 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 14.99
+      delta_h -149.351 #kJ/mol
+#     Enthalpy of formation: -4822.990 kJ/mol  83MIY/KLE
+      -analytic -11.17517E+0 00E+0 78.01146E+2 00E+0 00E+0
+      -Vm 148.5
 
 Mirabilite
-Na2SO4:10H2O     = 2.000Na+     + 1.000SO4-2     + 10.000H2O
-     log_k    -1.230     #84HAR/MOL
-     delta_h  79.471     #kJ/mol        
-     # Enthalpy of formation:           -4327.791        #kJ/mol        
-     -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0
+Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+      log_k -1.23 #84HAR/MOL
+      delta_h 79.471 #kJ/mol
+#     Enthalpy of formation: -4327.788 kJ/mol
+      -analytic 12.69272E+0 00E+0 -41.51059E+2 00E+0 00E+0
+      -Vm 219.8
+
+Mn(cr)
+Mn = Mn+2 + 2 e-
+      log_k 39.99
+      delta_h -220.8 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA in 05OLI/NOL
+      -analytic 13.075E-1 00E+0 11.53319E+3 00E+0 00E+0
 
 Mn(H2SiO4)(s)
-Mn(H2SiO4)     = 1.000Mn+2     - 2.000H+     + 1.000H4(SiO4)
-     log_k    12.440     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0
+Mn(H2SiO4) = Mn+2 - 2 H+ + H4(SiO4)
+      log_k 12.44 #88CHA/NEW
+      -analytic 12.44E+0 00E+0 00E+0 00E+0 00E+0
 
 Mn(HPO4)(s)
-Mn(HPO4)     = 1.000Mn+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k    -5.740     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
-
-Mn(SO4)(s)
-Mn(SO4)     = 1.000Mn+2     + 1.000SO4-2
-     log_k    -2.680     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0
+Mn(HPO4) = Mn+2 - H+ + H2(PO4)-
+      log_k -5.74 #96FAL/REA
+      -analytic -57.4E-1 00E+0 00E+0 00E+0 00E+0
 
 Mn(SeO3):2H2O(cr)
-Mn(SeO3):2H2O     = 1.000Mn+2     + 1.000SeO3-2     + 2.000H2O
-     log_k    -7.600     #05OLI/NOL
-     delta_h  -18.920    #kJ/mol        
-     # Enthalpy of formation:           -1280.7        #kJ/mol        #05OLI/NOL
-     -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0
+Mn(SeO3):2H2O = Mn+2 + SeO3-2 + 2 H2O
+      log_k -7.6 #05OLI/NOL
+      delta_h -18.92 #kJ/mol
+#     Enthalpy of formation: -1280.700 kJ/mol  05OLI/NOL
+      -analytic -10.91464E+0 00E+0 98.82604E+1 00E+0 00E+0
 
-#Mn(cr)
-#Mn     = 1.000Mn+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA in 05OLI/NOL
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Mn(SO4)(s)
+Mn(SO4) = Mn+2 + SO4-2
+      log_k -2.68 #96FAL/REA
+      -analytic -26.8E-1 00E+0 00E+0 00E+0 00E+0
 
 Mn2(Pyrophos)(s)
-Mn2(Pyrophos)     = 2.000Mn+2     + 1.000Pyrophos-4
-     log_k   -19.500     #88CHA/NEW
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0
+Mn2(Pyrophos) = 2 Mn+2 + Pyrophos-4
+      log_k -19.5 #88CHA/NEW
+      -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0
 
 Mn3(PO4)2(s)
-Mn3(PO4)2     = 3.000Mn+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    15.320     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0
+Mn3(PO4)2 = 3 Mn+2 - 4 H+ + 2 H2(PO4)-
+      log_k 15.32 #96FAL/REA
+      -analytic 15.32E+0 00E+0 00E+0 00E+0 00E+0
 
 Mn3(PO4)2:3H2O(s)
-Mn3(PO4)2:3H2O     = 3.000Mn+2     - 4.000H+     + 2.000H2(PO4)-     + 3.000H2O
-     log_k     2.320     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0
+Mn3(PO4)2:3H2O = 3 Mn+2 - 4 H+ + 2 H2(PO4)- + 3 H2O
+      log_k 2.32 #96FAL/REA
+      -analytic 23.2E-1 00E+0 00E+0 00E+0 00E+0
 
 MnCl2:2H2O(s)
-MnCl2:2H2O     = 1.000Mn+2     + 2.000Cl-     + 2.000H2O
-     log_k     3.980     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0
+MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
+      log_k 3.98 #96FAL/REA
+      -analytic 39.8E-1 00E+0 00E+0 00E+0 00E+0
 
 MnCl2:4H2O(s)
-MnCl2:4H2O     = 1.000Mn+2     + 2.000Cl-     + 4.000H2O
-     log_k     2.710     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0
+MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+      log_k 2.71 #96FAL/REA
+      -analytic 27.1E-1 00E+0 00E+0 00E+0 00E+0
 
 MnCl2:H2O(s)
-MnCl2:H2O     = 1.000Mn+2     + 2.000Cl-     + 1.000H2O
-     log_k     5.530     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0
+MnCl2:H2O = Mn+2 + 2 Cl- + H2O
+      log_k 5.53 #96FAL/REA
+      -analytic 55.3E-1 00E+0 00E+0 00E+0 00E+0
 
 MnO(s)
-MnO     = 1.000Mn+2     - 2.000H+     + 1.000H2O
-     log_k    17.900     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
+MnO = Mn+2 - 2 H+ + H2O
+      log_k 17.9 #96FAL/REA
+      -analytic 17.9E+0 00E+0 00E+0 00E+0 00E+0
 
 MnO2(s)
-MnO2     = 1.000Mn+2     - 2.000H+     + 1.000H2O     + 0.500O2
-     log_k    -0.990     #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.9E-1 0E+0 0E+0 0E+0 0E+0
+MnO2 = Mn+2 - 4 H+ - 2 e- + 2 H2O
+      log_k 42 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
+      -analytic 42E+0 00E+0 00E+0 00E+0 00E+0
 
 MnSe(alfa)
-MnSe     = 1.000Mn+2     - 1.000H+     + 1.000HSe-
-     log_k     0.300     
-     delta_h  -28.579    #kJ/mol        
-     # Enthalpy of formation:           -177.921        #kJ/mol        
-     -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0
+MnSe = Mn+2 - H+ + HSe-
+      log_k 0.33
+      delta_h -28.579 #kJ/mol
+#     Enthalpy of formation: -177.921  kJ/mol
+      -analytic -46.76826E-1 00E+0 14.92785E+2 00E+0 00E+0
 
 MnSe2(cr)
-MnSe2     = 1.000Mn+2     + 2.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -51.140     
-     delta_h  268.063    #kJ/mol        
-     # Enthalpy of formation:           -180.5        #kJ/mol        #05OLI/NOL
-     -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0
+MnSe2 = Mn+2 - 2 H+ - 2 e- + 2 HSe-
+      log_k -8.12
+      delta_h -11.7 #kJ/mol
+#     Enthalpy of formation: -180.500  kJ/mol  05OLI/NOL
+      -analytic -10.16975E+0 00E+0 61.11336E+1 00E+0 00E+0
 
-Mo(s)
-Mo     = 2.000H+     + 1.000MoO4-2     - 1.000H2O     - 1.500O2
-     log_k   109.390     
-     delta_h -692.969    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA
-     -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0
+Mo(cr)
+Mo = 8 H+ + 6 e- + MoO4-2 - 4 H2O
+      log_k -19.58
+      delta_h 146.32 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA
+      -analytic 60.54164E-1 00E+0 -76.42826E+2 00E+0 00E+0
 
 Mo3O8(s)
-Mo3O8     = 6.000H+     + 3.000MoO4-2     - 3.000H2O     - 0.500O2
-     log_k   -20.570     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.057E+1 0E+0 0E+0 0E+0 0E+0
-
-MoO2(s)
-MoO2     = 2.000H+     + 1.000MoO4-2     - 1.000H2O     - 0.500O2
-     log_k    13.110     
-     delta_h -117.246    #kJ/mol        
-     # Enthalpy of formation:           -587.857        #kJ/mol        
-     -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0
-
-MoO3(s)
-MoO3     = 2.000H+     + 1.000MoO4-2     - 1.000H2O
-     log_k   -11.980     
-     delta_h  34.001     #kJ/mol        
-     # Enthalpy of formation:           -745.171        #kJ/mol        
-     -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0
-
-MoS2(s)
-MoS2     = 4.000H+     + 2.000HS-     + 1.000MoO4-2     - 3.000H2O     - 0.500O2
-     log_k   -26.920     
-     delta_h  105.752    #kJ/mol        
-     # Enthalpy of formation:           -271.795        #kJ/mol        
-     -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0
-
-MoS3(s)
-MoS3     = 5.000H+     + 3.000HS-     + 1.000MoO4-2     - 4.000H2O
-     log_k   -68.070     
-     delta_h  354.849    #kJ/mol        
-     # Enthalpy of formation:           -257.429        #kJ/mol        
-     -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0
+Mo3O8 = 8 H+ + 2 e- + 3 MoO4-2 - 4 H2O
+      log_k -63.56
+      -analytic -63.56E+0 00E+0 00E+0 00E+0 00E+0
 
 Monocarboaluminate
-(CaO)3Al2O3:CaCO3:10.68H2O     = 4.000Ca+2     + 2.000Al+3     - 12.000H+     + 1.000CO3-2     + 16.680H2O
-     log_k    70.300     #95DAM/GLA
-     delta_h -515.924    #kJ/mol        
-     # Enthalpy of formation:           -8175.75        #kJ/mol        #10BLA/BOU2
-     -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0
+(CaO)3Al2O3:CaCO3:10.68H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CO3-2 + 16.68 H2O
+      log_k 70.3 #95DAM/GLA
+      delta_h -515.924 #kJ/mol
+#     Enthalpy of formation: -8175.750 kJ/mol  10BLA/BOU2
+      -analytic -20.086E+0 00E+0 26.94859E+3 00E+0 00E+0
+      -Vm 261.96
 
 Monosulfate-Fe
-Ca4Fe2(SO4)(OH)12:6H2O     = 4.000Ca+2     + 2.000Fe+3     - 12.000H+     + 1.000SO4-2     + 18.000H2O
-     log_k    66.050     #10BLA/BOU2
-     delta_h -477.312    #kJ/mol        
-     # Enthalpy of formation:           -7846.968        #kJ/mol        
-     -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0
+Ca4Fe2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Fe+3 - 12 H+ + SO4-2 + 18 H2O
+      log_k 66.05 #10BLA/BOU2
+      delta_h -479.966 #kJ/mol
+#     Enthalpy of formation: -7846.419 kJ/mol
+      -analytic -18.03643E+0 00E+0 25.07037E+3 00E+0 00E+0
+      -Vm 316.06
 
 Monosulfoaluminate
-Ca4Al2(SO4)(OH)12:6H2O     = 4.000Ca+2     + 2.000Al+3     - 12.000H+     + 1.000SO4-2     + 18.000H2O
-     log_k    73.070     #10BLA/BOU2
-     delta_h -539.400    #kJ/mol        
-     # Enthalpy of formation:           -8763.68        #kJ/mol        #10BLA/BOU2
-     -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0
+Ca4Al2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + SO4-2 + 18 H2O
+      log_k 73.07 #10BLA/BOU2
+      delta_h -539.4 #kJ/mol
+#     Enthalpy of formation: -8763.680 kJ/mol  10BLA/BOU2
+      -analytic -21.42882E+0 00E+0 28.17482E+3 00E+0 00E+0
+      -Vm 311.26
 
 Montmorillonite-BCCa
-Ca0.17Mg0.34Al1.66Si4O10(OH)2     = 0.170Ca+2     + 0.340Mg+2     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     4.200     
-     delta_h -156.000    #kJ/mol        
-     # Enthalpy of formation:           -5690.29        #kJ/mol        #15BLA/VIE
-     -analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0
+Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 4.2
+      delta_h -156 #kJ/mol
+#     Enthalpy of formation: -5690.290 kJ/mol  15BLA/VIE
+      -analytic -23.13003E+0 00E+0 81.48448E+2 00E+0 00E+0
+      -Vm 135.58
 
 Montmorillonite-BCK
-K0.34Mg0.34Al1.66Si4O10(OH)2     = 0.340Mg+2     + 0.340K+     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     2.810     
-     delta_h -136.198    #kJ/mol        
-     # Enthalpy of formation:           -5703.51        #kJ/mol        #15BLA/VIE
-     -analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0
+K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 2.81
+      delta_h -136.198 #kJ/mol
+#     Enthalpy of formation: -5703.510 kJ/mol  15BLA/VIE
+      -analytic -21.05087E+0 00E+0 71.14117E+2 00E+0 00E+0
+      -Vm 134.69
 
 Montmorillonite-BCMg
-Mg0.17Mg0.34Al1.66Si4O10(OH)2     = 0.510Mg+2     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     3.690     
-     delta_h -157.360    #kJ/mol        
-     # Enthalpy of formation:           -5676.01        #kJ/mol        #15BLA/VIE
-     -analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0
+Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 3.69
+      delta_h -157.36 #kJ/mol
+#     Enthalpy of formation: -5676.010 kJ/mol  15BLA/VIE
+      -analytic -23.87829E+0 00E+0 82.19485E+2 00E+0 00E+0
+      -Vm 131.58
 
 Montmorillonite-BCNa
-Na0.34Mg0.34Al1.66Si4O10(OH)2     = 0.340Mg+2     + 0.340Na+     + 1.660Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     3.390     
-     delta_h -145.286    #kJ/mol        
-     # Enthalpy of formation:           -5690.41        #kJ/mol        #15BLA/VIE
-     -analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0
+Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 3.39
+      delta_h -145.286 #kJ/mol
+#     Enthalpy of formation: -5690.410 kJ/mol  15BLA/VIE
+      -analytic -22.06301E+0 00E+0 75.88816E+2 00E+0 00E+0
+      -Vm 133.96
 
 Montmorillonite-HCCa
-Ca0.3Mg0.6Al1.4Si4O10(OH)2     = 0.300Ca+2     + 0.600Mg+2     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     6.890     
-     delta_h -163.896    #kJ/mol        
-     # Enthalpy of formation:           -5734.42        #kJ/mol        #15BLA/VIE
-     -analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0
+Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 6.89
+      delta_h -163.896 #kJ/mol
+#     Enthalpy of formation: -5734.420 kJ/mol  15BLA/VIE
+      -analytic -21.82335E+0 00E+0 85.60884E+2 00E+0 00E+0
+      -Vm 140.32
 
 Montmorillonite-HCK
-K0.6Mg0.6Al1.4Si4O10(OH)2     = 0.600Mg+2     + 0.600K+     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     4.430     
-     delta_h -128.960    #kJ/mol        
-     # Enthalpy of formation:           -5757.74        #kJ/mol        #15BLA/VIE
-     -analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0
+K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 4.43
+      delta_h -128.96 #kJ/mol
+#     Enthalpy of formation: -5757.740 kJ/mol  15BLA/VIE
+      -analytic -18.16282E+0 00E+0 67.3605E+2 00E+0 00E+0
+      -Vm 138.75
 
 Montmorillonite-HCMg
-Mg0.3Mg0.6Al1.4Si4O10(OH)2     = 0.900Mg+2     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     5.980     
-     delta_h -166.296    #kJ/mol        
-     # Enthalpy of formation:           -5709.22        #kJ/mol        #15BLA/VIE
-     -analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0
+Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 5.98
+      delta_h -166.296 #kJ/mol
+#     Enthalpy of formation: -5709.220 kJ/mol  15BLA/VIE
+      -analytic -23.15381E+0 00E+0 86.86245E+2 00E+0 00E+0
+      -Vm 133.27
 
 Montmorillonite-HCNa
-Na0.6Mg0.6Al1.4Si4O10(OH)2     = 0.600Mg+2     + 0.600Na+     + 1.400Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k     5.450     
-     delta_h -144.990    #kJ/mol        
-     # Enthalpy of formation:           -5734.63        #kJ/mol        #15BLA/VIE
-     -analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0
+Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 5.45
+      delta_h -144.99 #kJ/mol
+#     Enthalpy of formation: -5734.630 kJ/mol  15BLA/VIE
+      -analytic -19.95116E+0 00E+0 75.73355E+2 00E+0 00E+0
+      -Vm 137.47
+
+MoO2(s)
+MoO2 = 4 H+ + 2 e- + MoO4-2 - 2 H2O
+      log_k -29.88
+      delta_h 162.51 #kJ/mol
+#     Enthalpy of formation: -587.851  kJ/mol
+      -analytic -14.0947E-1 00E+0 -84.88488E+2 00E+0 00E+0
+
+MoO3(s)
+MoO3 = 2 H+ + MoO4-2 - H2O
+      log_k -11.98
+      delta_h 34.001 #kJ/mol
+#     Enthalpy of formation: -745.171  kJ/mol
+      -analytic -60.2328E-1 00E+0 -17.75996E+2 00E+0 00E+0
 
 Mordenite_Ca
-Ca0.515Al1.03Si4.97O12:3.1H2O     = 0.515Ca+2     + 1.030Al+3     - 4.120H+     + 4.970H4(SiO4)     - 4.780H2O
-     log_k    -2.920     #09BLA
-     delta_h  -74.768    #kJ/mol        
-     # Enthalpy of formation:           -6655.295        #kJ/mol        
-     -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0
+Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515 Ca+2 + 1.03 Al+3 - 4.12 H+ + 4.97 H4(SiO4) - 4.78 H2O
+      log_k -2.92 #09BLA
+      delta_h -74.732 #kJ/mol
+#     Enthalpy of formation: -6655.334 kJ/mol
+      -analytic -16.01248E+0 00E+0 39.03524E+2 00E+0 00E+0
+      -Vm 209.8
 
 Mordenite_Oregon
-Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O     = 0.289Ca+2     + 0.362Na+     + 0.940Al+3     - 3.760H+     + 5.060H4(SiO4)     - 4.772H2O
-     log_k    -4.160     
-     delta_h  -41.247    #kJ/mol        
-     # Enthalpy of formation:           -6738.44        #kJ/mol        #92JOH/TAS
-     -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0
+Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289 Ca+2 + 0.362 Na+ + 0.94 Al+3 - 3.76 H+ + 5.06 H4(SiO4) - 4.772 H2O
+      log_k -4.18
+      delta_h -41.247 #kJ/mol
+#     Enthalpy of formation: -6738.440 kJ/mol  92JOH/TAS
+      -analytic -11.40616E+0 00E+0 21.54481E+2 00E+0 00E+0
+      -Vm 212.4
+
+MoS2(s)
+MoS2 = 6 H+ + 2 e- + 2 HS- + MoO4-2 - 4 H2O
+      log_k -69.91
+      delta_h 385.522 #kJ/mol
+#     Enthalpy of formation: -271.804  kJ/mol
+      -analytic -23.69445E-1 00E+0 -20.13722E+3 00E+0 00E+0
+
+MoS3(s)
+MoS3 = 5 H+ + 3 HS- + MoO4-2 - 4 H2O
+      log_k -68.07
+      delta_h 354.847 #kJ/mol
+#     Enthalpy of formation: -257.429  kJ/mol
+      -analytic -59.03474E-1 00E+0 -18.53495E+3 00E+0 00E+0
 
 Muscovite
-KAl3Si3O10(OH)2     = 1.000K+     + 3.000Al+3     - 10.000H+     + 3.000H4(SiO4)
-     log_k    13.040     
-     delta_h -276.122    #kJ/mol        
-     # Enthalpy of formation:           -5974.8        #kJ/mol        #95HAS/CYG
-     -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0
-
-Na(NO3)(s)
-Na(NO3)     = 1.000Na+     + 1.000NO3-
-     log_k     1.090     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0
-
-Na(TcO4):4H2O(s)
-Na(TcO4):4H2O     = 1.000Na+     + 1.000TcO4-     + 4.000H2O
-     log_k     0.790     #99RAR/RAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0
+KAl3Si3O10(OH)2 = K+ + 3 Al+3 - 10 H+ + 3 H4(SiO4)
+      log_k 13.02
+      delta_h -276.122 #kJ/mol
+#     Enthalpy of formation: -5974.800 kJ/mol  95HAS/CYG
+      -analytic -35.3545E+0 00E+0 14.42286E+3 00E+0 00E+0
+      -Vm 140.81
 
 Na(cr)
-Na     = 1.000Na+     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    67.385     
-     delta_h -380.222    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG (89COX/WAG)
-     -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0
+Na = Na+ + e-
+      log_k 45.89
+      delta_h -240.34 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG (89COX/WAG)
+      -analytic 37.84239E-1 00E+0 12.55383E+3 00E+0 00E+0
+
+Na(NO3)(s)
+Na(NO3) = Na+ + NO3-
+      log_k 1.09 #96FAL/REA
+      -analytic 10.9E-1 00E+0 00E+0 00E+0 00E+0
 
 Na2(CO3)(cr)
-Na2(CO3)     = 2.000Na+     + 1.000CO3-2
-     log_k     1.120     
-     delta_h  -26.710    #kJ/mol        
-     # Enthalpy of formation:           -1129.2        #kJ/mol        #95ROB/HEM
-     -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0
+Na2(CO3) = 2 Na+ + CO3-2
+      log_k 1.12
+      delta_h -26.71 #kJ/mol
+#     Enthalpy of formation: -1129.200 kJ/mol  95ROB/HEM
+      -analytic -35.59391E-1 00E+0 13.9516E+2 00E+0 00E+0
 
 Na2B4O7(cr)
-Na2B4O7     = 2.000Na+     + 2.000H+     + 4.000B(OH)4-     - 9.000H2O
-     log_k   -16.060     
-     delta_h   2.534     #kJ/mol        
-     # Enthalpy of formation:           -3291.208        #kJ/mol        
-     -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0
+Na2B4O7 = 2 Na+ + 2 H+ + 4 B(OH)4- - 9 H2O
+      log_k -16.06
+      delta_h 2.52 #kJ/mol
+#     Enthalpy of formation: -3291.196 kJ/mol
+      -analytic -15.61851E+0 00E+0 -13.16288E+1 00E+0 00E+0
 
 Na2B4O7:10H2O(s)
-Na2B4O7:10H2O     = 2.000Na+     + 2.000H+     + 4.000B(OH)4-     + 1.000H2O
-     log_k   -24.580     
-     delta_h  141.721    #kJ/mol        
-     # Enthalpy of formation:           -6288.445        #kJ/mol        
-     -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0
+Na2B4O7:10H2O = 2 Na+ + 2 H+ + 4 B(OH)4- + H2O
+      log_k -24.58
+      delta_h 141.471 #kJ/mol
+#     Enthalpy of formation: -6288.445 kJ/mol
+      -analytic 20.46553E-2 00E+0 -73.89545E+2 00E+0 00E+0
 
 Na2CO3:7H2O(s)
-Na2CO3:7H2O     = 2.000Na+     + 1.000CO3-2     + 7.000H2O
-     log_k    -0.460     #84HAR/MOL
-     delta_h  42.682     #kJ/mol        
-     # Enthalpy of formation:           -3199.402        #kJ/mol        
-     -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0
+Na2CO3:7H2O = 2 Na+ + CO3-2 + 7 H2O
+      log_k -0.46 #84HAR/MOL
+      delta_h 42.682 #kJ/mol
+#     Enthalpy of formation: -3199.400 kJ/mol
+      -analytic 70.17565E-1 00E+0 -22.29436E+2 00E+0 00E+0
 
 Na2HPO4(cr)
-Na2HPO4     = 2.000Na+     - 1.000H+     + 1.000H2(PO4)-
-     log_k     9.240     
-     delta_h  -35.180    #kJ/mol        
-     # Enthalpy of formation:           -1748.1        #kJ/mol        #82WAG/EVA
-     -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0
+Na2HPO4 = 2 Na+ - H+ + H2(PO4)-
+      log_k 9.24
+      delta_h -35.18 #kJ/mol
+#     Enthalpy of formation: -1748.100 kJ/mol  82WAG/EVA
+      -analytic 30.76729E-1 00E+0 18.37579E+2 00E+0 00E+0
+
+Na2Np2O7(cr)
+Na2Np2O7 = 2 Na+ + 2 NpO2+2 - 6 H+ + 3 H2O
+      log_k 25.2 #20GRE/GAO
+      -analytic 25.2E+0 00E+0 00E+0 00E+0 00E+0
 
 Na2O(cr)
-Na2O     = 2.000Na+     - 2.000H+     + 1.000H2O
-     log_k    67.460     
-     delta_h -351.710    #kJ/mol        
-     # Enthalpy of formation:           -414.8        #kJ/mol        #95ROB/HEM
-     -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0
+Na2O = 2 Na+ - 2 H+ + H2O
+      log_k 67.46
+      delta_h -351.71 #kJ/mol
+#     Enthalpy of formation: -414.800  kJ/mol  95ROB/HEM
+      -analytic 58.43053E-1 00E+0 18.37109E+3 00E+0 00E+0
+
+Na2U2O7:H2O(cr)
+Na2U2O7:H2O = 2 Na+ + 2 UO2+2 - 6 H+ + 4 H2O
+      log_k 24.4 #20GRE/GAO
+      -analytic 24.4E+0 00E+0 00E+0 00E+0 00E+0
 
 Na2ZrSi2O7(cr)
-Na2ZrSi2O7     = 2.000Na+     - 6.000H+     + 2.000H4(SiO4)     + 1.000Zr+4     - 1.000H2O
-     log_k     3.740     
-     delta_h -119.738    #kJ/mol        
-     # Enthalpy of formation:           -3606        #kJ/mol        #05BRO/CUR
-     -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0
+Na2ZrSi2O7 = 2 Na+ - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O
+      log_k 3.74
+      delta_h -119.738 #kJ/mol
+#     Enthalpy of formation: -3606.000 kJ/mol  05BRO/CUR
+      -analytic -17.2372E+0 00E+0 62.54351E+2 00E+0 00E+0
 
 Na2ZrSi3O9:2H2O(cr)
-Na2ZrSi3O9:2H2O     = 2.000Na+     - 6.000H+     + 3.000H4(SiO4)     + 1.000Zr+4     - 1.000H2O
-     log_k    15.580     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0
+Na2ZrSi3O9:2H2O = 2 Na+ - 6 H+ + 3 H4(SiO4) + Zr+4 - H2O
+      log_k 15.58
+      -analytic 15.58E+0 00E+0 00E+0 00E+0 00E+0
 
 Na2ZrSi4O11(cr)
-Na2ZrSi4O11     = 2.000Na+     - 6.000H+     + 4.000H4(SiO4)     + 1.000Zr+4     - 5.000H2O
-     log_k   -13.560     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
+Na2ZrSi4O11 = 2 Na+ - 6 H+ + 4 H4(SiO4) + Zr+4 - 5 H2O
+      log_k -13.56
+      -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0
 
 Na2ZrSi6O15:3H2O(cr)
-Na2ZrSi6O15:3H2O     = 2.000Na+     - 6.000H+     + 6.000H4(SiO4)     + 1.000Zr+4     - 6.000H2O
-     log_k    16.460     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0
+Na2ZrSi6O15:3H2O = 2 Na+ - 6 H+ + 6 H4(SiO4) + Zr+4 - 6 H2O
+      log_k 16.46
+      -analytic 16.46E+0 00E+0 00E+0 00E+0 00E+0
 
 Na2ZrSiO5(cr)
-Na2ZrSiO5     = 2.000Na+     - 6.000H+     + 1.000H4(SiO4)     + 1.000Zr+4     + 1.000H2O
-     log_k    13.190     
-     delta_h -166.204    #kJ/mol        
-     # Enthalpy of formation:           -2670        #kJ/mol        #05BRO/CUR
-     -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0
+Na2ZrSiO5 = 2 Na+ - 6 H+ + H4(SiO4) + Zr+4 + H2O
+      log_k 13.19
+      delta_h -166.204 #kJ/mol
+#     Enthalpy of formation: -2670.000 kJ/mol  05BRO/CUR
+      -analytic -15.92769E+0 00E+0 86.8144E+2 00E+0 00E+0
+
+Na3NpO2(CO3)2(cr)
+Na3NpO2(CO3)2 = 3 Na+ + NpO2+ + 2 CO3-2
+      log_k -14.22 #03GUI/FAN
+      -analytic -14.22E+0 00E+0 00E+0 00E+0 00E+0
 
 Na3PO4(cr)
-Na3PO4     = 3.000Na+     - 2.000H+     + 1.000H2(PO4)-
-     log_k    23.520     
-     delta_h -106.218    #kJ/mol        
-     # Enthalpy of formation:           -1917.402        #kJ/mol        #74NAU/RYZ
-     -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0
+Na3PO4 = 3 Na+ - 2 H+ + H2(PO4)-
+      log_k 23.52
+      delta_h -106.218 #kJ/mol
+#     Enthalpy of formation: -1917.402 kJ/mol  74NAU/RYZ
+      -analytic 49.11405E-1 00E+0 55.48153E+2 00E+0 00E+0
 
 Na4Zr2Si3O12(cr)
-Na4Zr2Si3O12     = 4.000Na+     - 12.000H+     + 3.000H4(SiO4)     + 2.000Zr+4
-     log_k    15.510     
-     delta_h -276.942    #kJ/mol        
-     # Enthalpy of formation:           -6285        #kJ/mol        #05BRO/CUR
-     -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0
+Na4Zr2Si3O12 = 4 Na+ - 12 H+ + 3 H4(SiO4) + 2 Zr+4
+      log_k 15.5
+      delta_h -276.942 #kJ/mol
+#     Enthalpy of formation: -6285.000 kJ/mol  05BRO/CUR
+      -analytic -33.01816E+0 00E+0 14.46569E+3 00E+0 00E+0
 
 Na6Th(CO3)5:12H2O(cr)
-Na6Th(CO3)5:12H2O     = 6.000Na+     + 1.000Th+4     + 5.000CO3-2     + 12.000H2O
-     log_k   -42.200     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0
+Na6Th(CO3)5:12H2O = 6 Na+ + Th+4 + 5 CO3-2 + 12 H2O
+      log_k -42.2 #09RAN/FUG
+      -analytic -42.2E+0 00E+0 00E+0 00E+0 00E+0
+
+NaAm(CO3)2:5H2O(s)
+NaAm(CO3)2:5H2O = Na+ + Am+3 + 2 CO3-2 + 5 H2O
+      log_k -21 #03GUI/FAN
+      -analytic -21E+0 00E+0 00E+0 00E+0 00E+0
 
 NaAmO2CO3(s)
-NaAmO2CO3     = 1.000Na+     + 1.000AmO2+     + 1.000CO3-2
-     log_k   -10.900     #94GIF, 94RUN/KIM, 96RUN/NEU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0
+NaAmO2CO3 = Na+ + AmO2+ + CO3-2
+      log_k -10.9 #94GIF, 94RUN/KIM, 96RUN/NEU
+      -analytic -10.9E+0 00E+0 00E+0 00E+0 00E+0
 
 NaBO2(s)
-NaBO2     = 1.000Na+     + 1.000B(OH)4-     - 2.000H2O
-     log_k     3.620     
-     delta_h  -36.790    #kJ/mol        
-     # Enthalpy of formation:           -977.006        #kJ/mol        
-     -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0
+NaBO2 = Na+ + B(OH)4- - 2 H2O
+      log_k 3.62
+      delta_h -36.793 #kJ/mol
+#     Enthalpy of formation: -977.003  kJ/mol
+      -analytic -28.25857E-1 00E+0 19.21832E+2 00E+0 00E+0
+
+Na-Boltwoodite
+Na(UO2)(SiO3OH):H2O = Na+ + UO2+2 - 3 H+ + H4(SiO4) + H2O
+      log_k 5.81 #20GRE/GAO
+      -analytic 58.1E-1 00E+0 00E+0 00E+0 00E+0
 
 NaCm(CO3)2:5H2O(s)
-NaCm(CO3)2:5H2O     = 1.000Na+     + 2.000CO3-2     + 1.000Cm+3     + 5.000H2O
-     log_k   -21.000     #estimated by correlation with Ln(III) and An(III)
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
+NaCm(CO3)2:5H2O = Na+ + 2 CO3-2 + Cm+3 + 5 H2O
+      log_k -20.94 #Estimated by correlation with An(III).
+      -analytic -20.94E+0 00E+0 00E+0 00E+0 00E+0
 
 NaEu(CO3)2:5H2O(s)
-NaEu(CO3)2:5H2O     = 1.000Na+     + 1.000Eu+3     + 2.000CO3-2     + 5.000H2O
-     log_k   -20.900     #05VER/VIT2
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
+NaEu(CO3)2:5H2O = Na+ + Eu+3 + 2 CO3-2 + 5 H2O
+      log_k -20.6 #10PHI
+      -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0
 
 NaF(s)
-NaF     = 1.000Na+     + 1.000F-
-     log_k    -0.480     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0
+NaF = Na+ + F-
+      log_k -0.48 #96FAL/REA
+      -analytic -48E-2 00E+0 00E+0 00E+0 00E+0
 
 NaH2PO4(cr)
-NaH2PO4     = 1.000Na+     + 1.000H2(PO4)-
-     log_k     2.300     
-     delta_h  -6.140     #kJ/mol        
-     # Enthalpy of formation:           -1536.8        #kJ/mol        #82WAG/EVA
-     -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0
-
-NaHo(CO3)2:5H2O(s)
-NaHo(CO3)2:5H2O     = 1.000Na+     + 1.000Ho+3     + 2.000CO3-2     + 5.000H2O
-     log_k   -20.500     #Estimated by ionic radii correlation
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0
-
-NaNbO3(s)
-NaNbO3     = 1.000Na+     + 1.000Nb(OH)6-     - 3.000H2O
-     log_k    -3.660     
-     delta_h   7.504     #kJ/mol        
-     # Enthalpy of formation:           -1316.013        #kJ/mol        
-     -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0
-
-NaSm(CO3)2:5H2O(s)
-NaSm(CO3)2:5H2O     = 1.000Na+     + 1.000Sm+3     + 2.000CO3-2     + 5.000H2O
-     log_k   -20.990     #Estimated by ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0
+NaH2PO4 = Na+ + H2(PO4)-
+      log_k 2.3
+      delta_h -6.14 #kJ/mol
+#     Enthalpy of formation: -1536.800 kJ/mol  82WAG/EVA
+      -analytic 12.24318E-1 00E+0 32.07145E+1 00E+0 00E+0
 
 Nahcolite
-Na(HCO3)     = 1.000Na+     + 1.000H+     + 1.000CO3-2
-     log_k   -10.740     #84HAR/MOL
-     delta_h  33.430     #kJ/mol        
-     # Enthalpy of formation:           -949        #kJ/mol        #82VAN
-     -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0
+Na(HCO3) = Na+ + H+ + CO3-2
+      log_k -10.74 #84HAR/MOL
+      delta_h 33.43 #kJ/mol
+#     Enthalpy of formation: -949.000  kJ/mol  82VAN
+      -analytic -48.83315E-1 00E+0 -17.46171E+2 00E+0 00E+0
+
+NaHo(CO3)2:5H2O(s)
+NaHo(CO3)2:5H2O = Na+ + Ho+3 + 2 CO3-2 + 5 H2O
+      log_k -19.97 #Estimated by correlation with An(III).
+      -analytic -19.97E+0 00E+0 00E+0 00E+0 00E+0
+
+NaNbO3(s)
+NaNbO3 = Na+ + Nb(OH)6- - 3 H2O
+      log_k -3.66
+      delta_h 7.504 #kJ/mol
+#     Enthalpy of formation: -1316.013 kJ/mol
+      -analytic -23.45356E-1 00E+0 -39.19612E+1 00E+0 00E+0
+
+NaNpO2CO3:3.5H2O(cr)
+NaNpO2CO3:3.5H2O = Na+ + NpO2+ + CO3-2 + 3.5 H2O
+      log_k -11 #03GUI/FAN
+      delta_h 30.997 #kJ/mol
+#     Enthalpy of formation: -2925.152 kJ/mol
+      -analytic -55.69559E-1 00E+0 -16.19086E+2 00E+0 00E+0
+
+NaSm(CO3)2:5H2O(s)
+NaSm(CO3)2:5H2O = Na+ + Sm+3 + 2 CO3-2 + 5 H2O
+      log_k -20.99 #Estimated by correlation with An(III).
+      -analytic -20.99E+0 00E+0 00E+0 00E+0 00E+0
+
+NaTcO4:4H2O(s)
+NaTcO4:4H2O = Na+ + TcO4- + 4 H2O
+      log_k 0.79 #99RAR/RAN
+      -analytic 79E-2 00E+0 00E+0 00E+0 00E+0
 
 Natrolite
-Na2(Al2Si3)O10:2H2O     = 2.000Na+     + 2.000Al+3     - 8.000H+     + 3.000H4(SiO4)
-     log_k    19.330     
-     delta_h -222.462    #kJ/mol        
-     # Enthalpy of formation:           -5718.6        #kJ/mol        #83JOH/FLO
-     -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0
+Na2(Al2Si3)O10:2H2O = 2 Na+ + 2 Al+3 - 8 H+ + 3 H4(SiO4)
+      log_k 19.31
+      delta_h -222.462 #kJ/mol
+#     Enthalpy of formation: -5718.600 kJ/mol  83JOH/FLO
+      -analytic -19.66367E+0 00E+0 11.62E+3 00E+0 00E+0
+      -Vm 169.2
 
 Natron
-Na2(CO3):10H2O     = 2.000Na+     + 1.000CO3-2     + 10.000H2O
-     log_k    -0.830     #84HAR/MOL
-     delta_h  64.870     #kJ/mol        
-     # Enthalpy of formation:           -4079        #kJ/mol        
-     -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0
+Na2(CO3):10H2O = 2 Na+ + CO3-2 + 10 H2O
+      log_k -0.83 #84HAR/MOL
+      delta_h 64.87 #kJ/mol
+#     Enthalpy of formation: -4079.078 kJ/mol
+      -analytic 10.53474E+0 00E+0 -33.88396E+2 00E+0 00E+0
 
 Nb(cr)
-Nb     = 1.000H+     + 1.000Nb(OH)6-     - 3.500H2O     - 1.250O2
-     log_k   149.295     
-     delta_h -910.093    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA
-     -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0
+Nb = 6 H+ + Nb(OH)6- + 5 e- - 6 H2O
+      log_k 41.82
+      delta_h -210.678 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA
+      -analytic 49.10799E-1 00E+0 11.00448E+3 00E+0 00E+0
 
 Nb2O5(s)
-Nb2O5     = 2.000H+     + 2.000Nb(OH)6-     - 7.000H2O
-     log_k   -28.380     #97PEI/NGU
-     delta_h  52.400     #kJ/mol        #97PEI/NGU
-     # Enthalpy of formation:           -1902.92        #kJ/mol        
-     -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0
+Nb2O5 = 2 H+ + 2 Nb(OH)6- - 7 H2O
+      log_k -28.38 #97PEI/NGU
+      delta_h 52.4 #kJ/mol 97PEI/NGU
+#     Enthalpy of formation: -1902.906 kJ/mol
+      -analytic -19.19991E+0 00E+0 -27.37043E+2 00E+0 00E+0
 
 Nesquehonite
-Mg(CO3):3H2O     = 1.000Mg+2     + 1.000CO3-2     + 3.000H2O
-     log_k    -5.100     
-     delta_h  -22.420    #kJ/mol        
-     # Enthalpy of formation:           -1977.3        #kJ/mol        #73ROB/HEM
-     -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0
+Mg(CO3):3H2O = Mg+2 + CO3-2 + 3 H2O
+      log_k -5.1
+      delta_h -22.42 #kJ/mol
+#     Enthalpy of formation: -1977.300 kJ/mol  73ROB/HEM
+      -analytic -90.27815E-1 00E+0 11.71078E+2 00E+0 00E+0
 
 Ni(BO2)2(s)
-Ni(BO2)2     = 1.000Ni+2     + 2.000B(OH)4-     - 4.000H2O
-     log_k    -8.700     #92PEA/BER
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0
+Ni(BO2)2 = Ni+2 + 2 B(OH)4- - 4 H2O
+      log_k -8.7 #92PEA/BER
+      -analytic -87E-1 00E+0 00E+0 00E+0 00E+0
 
-#Ni(CO3)(cr)
-#Ni(CO3)     = 1.000Ni+2     + 1.000CO3-2
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -713.32        #kJ/mol        #05GAM/BUG
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Ni(CO3)(cr)
+Ni(CO3) = Ni+2 + CO3-2
+      log_k -10.99
+      delta_h -16.922 #kJ/mol
+#     Enthalpy of formation: -713.320  kJ/mol
+      -analytic -13.95461E+0 00E+0 88.38976E+1 00E+0 00E+0
 
 Ni(CO3):5.5H2O(cr)
-Ni(CO3):5.5H2O     = 1.000Ni+2     + 1.000CO3-2     + 5.500H2O
-     log_k    -7.520     
-     delta_h  10.685     #kJ/mol        
-     # Enthalpy of formation:           -2312.992        #kJ/mol        #05GAM/BUG
-     -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0
+Ni(CO3):5.5H2O = Ni+2 + CO3-2 + 5.5 H2O
+      log_k -7.52
+      delta_h 10.687 #kJ/mol
+#     Enthalpy of formation: -2312.992 kJ/mol
+      -analytic -56.47718E-1 00E+0 -55.82209E+1 00E+0 00E+0
+
+Ni(cr)
+Ni = Ni+2 + 2 e-
+      log_k 8.02
+      delta_h -55.012 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  05GAM/BUG
+      -analytic -16.17689E-1 00E+0 28.73477E+2 00E+0 00E+0
 
 Ni(IO3)2(beta)
-Ni(IO3)2     = 1.000Ni+2     + 2.000IO3-
-     log_k    -4.430     
-     delta_h  -7.300     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -487.112        #kJ/mol        
-     -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0
+Ni(IO3)2 = Ni+2 + 2 IO3-
+      log_k -4.43
+      delta_h -7.3 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -487.112  kJ/mol
+      -analytic -57.08905E-1 00E+0 38.13056E+1 00E+0 00E+0
 
 Ni(IO3)2:2H2O(cr)
-Ni(IO3)2:2H2O     = 1.000Ni+2     + 2.000IO3-     + 2.000H2O
-     log_k    -5.140     
-     delta_h  21.600     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -1087.672        #kJ/mol        
-     -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0
+Ni(IO3)2:2H2O = Ni+2 + 2 IO3- + 2 H2O
+      log_k -5.14
+      delta_h 21.6 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -1087.672 kJ/mol
+      -analytic -13.55842E-1 00E+0 -11.28247E+2 00E+0 00E+0
 
 Ni(OH)2(s)
-Ni(OH)2     = 1.000Ni+2     - 2.000H+     + 2.000H2O
-     log_k    11.030     
-     delta_h  -84.390    #kJ/mol        
-     # Enthalpy of formation:           -542.3        #kJ/mol        #05GAM/BUG
-     -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0
-
-Ni(SO4)(cr)
-Ni(SO4)     = 1.000Ni+2     + 1.000SO4-2
-     log_k     4.750     #05GAM/BUG
-     delta_h  -91.072    #kJ/mol        
-     # Enthalpy of formation:           -873.28        #kJ/mol        #05GAM/BUG
-     -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0
-
-Ni(SO4):6H2O(s)
-Ni(SO4):6H2O     = 1.000Ni+2     + 1.000SO4-2     + 6.000H2O
-     log_k    -2.250     #05GAM/BUG
-     delta_h   4.485     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -2683.817        #kJ/mol        
-     -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0
-
-Ni(SO4):7H2O(s)
-Ni(SO4):7H2O     = 1.000Ni+2     + 1.000SO4-2     + 7.000H2O
-     log_k    -2.270     #05GAM/BUG
-     delta_h  12.167     #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -2977.329        #kJ/mol        
-     -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0
+Ni(OH)2 = Ni+2 - 2 H+ + 2 H2O
+      log_k 11.03
+      delta_h -84.389 #kJ/mol
+#     Enthalpy of formation: -542.282  kJ/mol
+      -analytic -37.54318E-1 00E+0 44.07944E+2 00E+0 00E+0
 
 Ni(SeO3):2H2O(cr)
-Ni(SeO3):2H2O     = 1.000Ni+2     + 1.000SeO3-2     + 2.000H2O
-     log_k    -5.800     #05OLI/NOL
-     delta_h  -24.502    #kJ/mol        
-     # Enthalpy of formation:           -1109.33        #kJ/mol        #05OLI/NOL
-     -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0
+Ni(SeO3):2H2O = Ni+2 + SeO3-2 + 2 H2O
+      log_k -5.8 #05OLI/NOL
+      delta_h -24.502 #kJ/mol
+#     Enthalpy of formation: -1109.330 kJ/mol  05OLI/NOL
+      -analytic -10.09257E+0 00E+0 12.79829E+2 00E+0 00E+0
 
 Ni(SeO4):6H2O(s)
-Ni(SeO4):6H2O     = 1.000Ni+2     + 1.000SeO4-2     + 6.000H2O
-     log_k    -1.381     #05OLI/NOL
-     delta_h  -3.787     #kJ/mol        
-     # Enthalpy of formation:           -2369.705        #kJ/mol        
-     -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0
+Ni(SeO4):6H2O = Ni+2 + SeO4-2 + 6 H2O
+      log_k -1.38 #05OLI/NOL
+      delta_h -3.791 #kJ/mol
+#     Enthalpy of formation: -2369.699 kJ/mol
+      -analytic -20.44155E-1 00E+0 19.80177E+1 00E+0 00E+0
 
-#Ni(SiO3)(s)
-#Ni(SiO3)     = 1.000Ni+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Ni(SiO3)(s)
+Ni(SiO3) = Ni+2 - 2 H+ + H4(SiO4) - H2O
+      log_k -1.78
+      -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0
 
-Ni(s)
-Ni     = 1.000Ni+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    51.010     
-     delta_h -334.775    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #05GAM/BUG
-     -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0
+Ni(SO4)(cr)
+Ni(SO4) = Ni+2 + SO4-2
+      log_k 4.75
+      delta_h -91.072 #kJ/mol
+#     Enthalpy of formation: -873.280  kJ/mol  05GAM/BUG
+      -analytic -11.20513E+0 00E+0 47.57022E+2 00E+0 00E+0
+
+Ni(SO4):6H2O(s)
+Ni(SO4):6H2O = Ni+2 + SO4-2 + 6 H2O
+      log_k -2.25
+      delta_h 4.485 #kJ/mol
+#     Enthalpy of formation: -2683.817 kJ/mol  05GAM/BUG
+      -analytic -14.64262E-1 00E+0 -23.42679E+1 00E+0 00E+0
+
+Ni(SO4):7H2O(s)
+Ni(SO4):7H2O = Ni+2 + SO4-2 + 7 H2O
+      log_k -2.27
+      delta_h 12.167 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -2977.329 kJ/mol
+      -analytic -13.84331E-2 00E+0 -63.55267E+1 00E+0 00E+0
 
 Ni0.88Se(cr)
-Ni0.88Se     = 0.880Ni+2     - 0.760H+     + 1.000HSe-     - 0.120H2O     + 0.060O2
-     log_k   -17.919     
-     delta_h  69.261     #kJ/mol        
-     # Enthalpy of formation:           -69.8        #kJ/mol        #05OLI/NOL
-     -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0
+Ni0.88Se = 0.88 Ni+2 - H+ - 0.24 e- + HSe-
+      log_k -12.76
+      delta_h 35.689 #kJ/mol
+#     Enthalpy of formation: -69.800   kJ/mol  05OLI/NOL
+      -analytic -65.07556E-1 00E+0 -18.64166E+2 00E+0 00E+0
 
 Ni11As8(cr)
-Ni11As8     = 11.000Ni+2     + 2.000H+     + 8.000AsO4-3     - 1.000H2O     - 15.500O2
-     log_k   874.760     
-     delta_h -6493.345   #kJ/mol        
-     # Enthalpy of formation:           -743        #kJ/mol        #05GAM/BUG
-     -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0
+Ni11As8 = 11 Ni+2 + 64 H+ + 62 e- + 8 AsO4-3 - 32 H2O
+      log_k -457.93
+      delta_h 2179.308 #kJ/mol
+#     Enthalpy of formation: -743.000  kJ/mol  05GAM/BUG
+      -analytic -76.13163E+0 00E+0 -11.38332E+4 00E+0 00E+0
 
 Ni2(Pyrophos)(cr)
-Ni2(Pyrophos)     = 2.000Ni+2     + 1.000Pyrophos-4
-     log_k    -9.820     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0
+Ni2(Pyrophos) = 2 Ni+2 + Pyrophos-4
+      log_k -9.82
+      -analytic -98.2E-1 00E+0 00E+0 00E+0 00E+0
 
 Ni3(AsO3)2(s)
-Ni3(AsO3)2     = 3.000Ni+2     + 2.000AsO4-3     - 1.000O2
-     log_k    34.500     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.45E+1 0E+0 0E+0 0E+0 0E+0
+Ni3(AsO3)2 = 3 Ni+2 + 4 H+ + 4 e- + 2 AsO4-3 - 2 H2O
+      log_k -51.48
+      -analytic -51.48E+0 00E+0 00E+0 00E+0 00E+0
 
 Ni3(AsO4)2:8H2O(s)
-Ni3(AsO4)2:8H2O     = 3.000Ni+2     + 2.000AsO4-3     + 8.000H2O
-     log_k   -28.100     #05GAM/BUG
-     delta_h  -48.956    #kJ/mol        
-     # Enthalpy of formation:           -4179        #kJ/mol        #05GAM/BUG
-     -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0
+Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O
+      log_k -28.1 #05GAM/BUG
+      delta_h -48.956 #kJ/mol
+#     Enthalpy of formation: -4179.000 kJ/mol  05GAM/BUG
+      -analytic -36.67672E+0 00E+0 25.5715E+2 00E+0 00E+0
 
 Ni3(PO4)2(cr)
-Ni3(PO4)2     = 3.000Ni+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    10.253     
-     delta_h -188.236    #kJ/mol        
-     # Enthalpy of formation:           -2582        #kJ/mol        #89BAE/McK
-     -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0
+Ni3(PO4)2 = 3 Ni+2 - 4 H+ + 2 H2(PO4)-
+      log_k 10.25
+      delta_h -188.236 #kJ/mol
+#     Enthalpy of formation: -2582.000 kJ/mol  89BAE/McK
+      -analytic -22.72753E+0 00E+0 98.32251E+2 00E+0 00E+0
 
-#Ni3O4(s)
-#Ni3O4     = 3.000Ni+2     - 6.000H+     + 3.000H2O     + 0.500O2
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -819.308        #kJ/mol        
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Ni3O4(s)
+Ni3O4 = 3 Ni+2 - 8 H+ - 2 e- + 4 H2O
+      log_k 65.5
+      delta_h -489.045 #kJ/mol
+#     Enthalpy of formation: -819.308  kJ/mol
+      -analytic -20.17701E+0 00E+0 25.5446E+3 00E+0 00E+0
 
 Ni5As2(cr)
-Ni5As2     = 5.000Ni+2     - 4.000H+     + 2.000AsO4-3     + 2.000H2O     - 5.000O2
-     log_k   323.170     
-     delta_h -2317.670   #kJ/mol        
-     # Enthalpy of formation:           -244.66        #kJ/mol        #05GAM/BUG
-     -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0
+Ni5As2 = 5 Ni+2 + 16 H+ + 20 e- + 2 AsO4-3 - 8 H2O
+      log_k -106.73
+      delta_h 479.96 #kJ/mol
+#     Enthalpy of formation: -244.660  kJ/mol  05GAM/BUG
+      -analytic -22.64462E+0 00E+0 -25.07006E+3 00E+0 00E+0
 
 NiAs(cr)
-NiAs     = 1.000Ni+2     + 1.000H+     + 1.000AsO4-3     - 0.500H2O     - 1.750O2
-     log_k    94.225     
-     delta_h -708.183    #kJ/mol        
-     # Enthalpy of formation:           -70.82        #kJ/mol        #05GAM/BUG
-     -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0
+NiAs = Ni+2 + 8 H+ + 7 e- + AsO4-3 - 4 H2O
+      log_k -56.24
+      delta_h 270.988 #kJ/mol
+#     Enthalpy of formation: -70.820   kJ/mol  05GAM/BUG
+      -analytic -87.6494E-1 00E+0 -14.15469E+3 00E+0 00E+0
 
 NiBr2(s)
-NiBr2     = 1.000Ni+2     + 2.000Br-
-     log_k    10.170     
-     delta_h  -84.332    #kJ/mol        
-     # Enthalpy of formation:           -213.5        #kJ/mol        #05GAM/BUG
-     -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0
+NiBr2 = Ni+2 + 2 Br-
+      log_k 10.17
+      delta_h -84.332 #kJ/mol
+#     Enthalpy of formation: -213.500  kJ/mol  05GAM/BUG
+      -analytic -46.04332E-1 00E+0 44.04967E+2 00E+0 00E+0
 
 NiCl2(s)
-NiCl2     = 1.000Ni+2     + 2.000Cl-
-     log_k     8.670     
-     delta_h  -84.272    #kJ/mol        
-     # Enthalpy of formation:           -304.9        #kJ/mol        #05GAM/BUG
-     -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0
+NiCl2 = Ni+2 + 2 Cl-
+      log_k 8.67
+      delta_h -84.272 #kJ/mol
+#     Enthalpy of formation: -304.900  kJ/mol  05GAM/BUG
+      -analytic -60.93821E-1 00E+0 44.01833E+2 00E+0 00E+0
 
 NiCl2:2H2O(s)
-NiCl2:2H2O     = 1.000Ni+2     + 2.000Cl-     + 2.000H2O
-     log_k     4.920     
-     delta_h  -47.461    #kJ/mol        
-     # Enthalpy of formation:           -913.371        #kJ/mol        
-     -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0
+NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
+      log_k 4.92
+      delta_h -47.458 #kJ/mol
+#     Enthalpy of formation: -913.372  kJ/mol
+      -analytic -33.94285E-1 00E+0 24.78904E+2 00E+0 00E+0
 
 NiCl2:4H2O(s)
-NiCl2:4H2O     = 1.000Ni+2     + 2.000Cl-     + 4.000H2O
-     log_k     3.820     
-     delta_h  -18.444    #kJ/mol        #05GAM/BUG
-     # Enthalpy of formation:           -1514.048        #kJ/mol        
-     -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0
+NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O
+      log_k 3.82
+      delta_h -18.444 #kJ/mol 05GAM/BUG
+#     Enthalpy of formation: -1514.048 kJ/mol
+      -analytic 58.87499E-2 00E+0 96.33972E+1 00E+0 00E+0
 
 NiCl2:6H2O(s)
-NiCl2:6H2O     = 1.000Ni+2     + 2.000Cl-     + 6.000H2O
-     log_k     3.040     
-     delta_h   0.548     #kJ/mol        
-     # Enthalpy of formation:           -2104.7        #kJ/mol        #05GAM/BUG
-     -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0
+NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
+      log_k 3.04
+      delta_h 0.548 #kJ/mol
+#     Enthalpy of formation: -2104.700 kJ/mol  05GAM/BUG
+      -analytic 31.36005E-1 00E+0 -28.62403E+0 00E+0 00E+0
 
 NiF2(s)
-NiF2     = 1.000Ni+2     + 2.000F-
-     log_k    -0.180     
-     delta_h  -68.412    #kJ/mol        
-     # Enthalpy of formation:           -657.3        #kJ/mol        #05GAM/BUG
-     -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0
+NiF2 = Ni+2 + 2 F-
+      log_k -0.18
+      delta_h -68.412 #kJ/mol
+#     Enthalpy of formation: -657.300  kJ/mol  05GAM/BUG
+      -analytic -12.16527E+0 00E+0 35.73408E+2 00E+0 00E+0
 
 NiI2(s)
-NiI2     = 1.000Ni+2     + 2.000I-
-     log_k     9.610     
-     delta_h  -72.152    #kJ/mol        
-     # Enthalpy of formation:           -96.42        #kJ/mol        #05GAM/BUG
-     -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0
+NiI2 = Ni+2 + 2 I-
+      log_k 9.61
+      delta_h -72.152 #kJ/mol
+#     Enthalpy of formation: -96.420   kJ/mol  05GAM/BUG
+      -analytic -30.30488E-1 00E+0 37.68761E+2 00E+0 00E+0
 
 NiSe2(cr)
-NiSe2     = 1.000Ni+2     + 2.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -69.890     
-     delta_h  368.851    #kJ/mol        
-     # Enthalpy of formation:           -115.5        #kJ/mol        #05OLI/NOL
-     -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0
-
-Nontronite-Ca
-Ca0.17Fe1.67Al0.67Si3.66O10(OH)2     = 0.170Ca+2     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    -2.830     
-     delta_h -145.927    #kJ/mol        
-     # Enthalpy of formation:           -4982.32        #kJ/mol        #15BLA/VIE
-     -analytic -2.83953E+1 0E+0 7.62229E+3 0E+0 0E+0
-
-Nontronite-K
-K0.34Fe1.67Al0.67Si3.66O10(OH)2     = 0.340K+     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    -4.000     
-     delta_h -127.394    #kJ/mol        
-     # Enthalpy of formation:           -4994.27        #kJ/mol        #15BLA/VIE
-     -analytic -2.63184E+1 0E+0 6.65424E+3 0E+0 0E+0
-
-Nontronite-Mg
-Mg0.17Fe1.67Al0.67Si3.66O10(OH)2     = 0.170Mg+2     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    -3.370     
-     delta_h -147.107    #kJ/mol        
-     # Enthalpy of formation:           -4968.22        #kJ/mol        #15BLA/VIE
-     -analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0
-
-Nontronite-Na
-Na0.34Fe1.67Al0.67Si3.66O10(OH)2     = 0.340Na+     + 1.670Fe+3     + 0.670Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    -3.500     
-     delta_h -136.012    #kJ/mol        
-     # Enthalpy of formation:           -4981.64        #kJ/mol        #15BLA/VIE
-     -analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0
+NiSe2 = Ni+2 - 2 H+ - 2 e- + 2 HSe-
+      log_k -26.9
+      delta_h 89.088 #kJ/mol
+#     Enthalpy of formation: -115.500  kJ/mol  05OLI/NOL
+      -analytic -11.29245E+0 00E+0 -46.5339E+2 00E+0 00E+0
 
 Nontronite_Nau-2
-Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2     = 0.247Ca+2     + 0.068Mg+2     + 0.020K+     + 1.688Fe+3     + 0.818Al+3     + 3.458H4(SiO4)     - 1.832H2O     - 8.168H+
-     log_k     1.350     
-     delta_h -187.521    #kJ/mol        
-     # Enthalpy of formation:           -5035.69        #kJ/mol        #13GAI/BLA
-     -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0
+Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247 Ca+2 + 0.068 Mg+2 + 0.02 K+ + 1.688 Fe+3 + 0.818 Al+3 - 8.168 H+ + 3.458 H4(SiO4) - 1.832 H2O
+      log_k 1.3
+      delta_h -189.304 #kJ/mol
+#     Enthalpy of formation: -5035.690 kJ/mol  13GAI/BLA
+      -analytic -31.86464E+0 00E+0 98.88037E+2 00E+0 00E+0
+      -Vm 136.38
 
-Np(CO3)(OH)(s)
-Np(CO3)(OH)     = 1.000Np+3     - 1.000H+     + 1.000CO3-2     + 1.000H2O
-     log_k    -6.060     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0
+Nontronite-Ca
+Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k -2.86
+      delta_h -147.69 #kJ/mol
+#     Enthalpy of formation: -4982.320 kJ/mol  15BLA/VIE
+      -analytic -28.73418E+0 00E+0 77.14386E+2 00E+0 00E+0
+      -Vm 133.74
 
-Np(HPO4)2(s)
-Np(HPO4)2     = 1.000Np+4     - 2.000H+     + 2.000H2(PO4)-
-     log_k   -16.060     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0
+Nontronite-K
+K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k -4.03
+      delta_h -129.158 #kJ/mol
+#     Enthalpy of formation: -4994.270 kJ/mol  15BLA/VIE
+      -analytic -26.65751E+0 00E+0 67.46392E+2 00E+0 00E+0
+      -Vm 132.85
 
-Np(OH)3(s)
-Np(OH)3     = 1.000Np+3     - 3.000H+     + 3.000H2O
-     log_k    18.000     #80ALL/KIP
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0
+Nontronite-Mg
+Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k -3.41
+      delta_h -148.87 #kJ/mol
+#     Enthalpy of formation: -4968.220 kJ/mol  15BLA/VIE
+      -analytic -29.4909E+0 00E+0 77.76022E+2 00E+0 00E+0
+      -Vm 129.74
+
+Nontronite-Na
+Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k -3.53
+      delta_h -137.776 #kJ/mol
+#     Enthalpy of formation: -4981.640 kJ/mol  15BLA/VIE
+      -analytic -27.66732E+0 00E+0 71.96542E+2 00E+0 00E+0
+      -Vm 132.12
 
 Np(cr)
-Np     = 1.000Np+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   154.335     
-     delta_h -946.829    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #01LEM/FUG
-     -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0
+Np = Np+3 + 3 e-
+      log_k 89.85
+      delta_h -527.184 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  01LEM/FUG
+      -analytic -25.08672E-1 00E+0 27.53674E+3 00E+0 00E+0
+
+Np(HPO4)2(s)
+Np(HPO4)2 = Np+4 - 2 H+ + 2 H2(PO4)-
+      log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii
+      -analytic -16.06E+0 00E+0 00E+0 00E+0 00E+0
+
+Np(OH)3(s)
+Np(OH)3 = Np+3 - 3 H+ + 3 H2O
+      log_k 18 #80ALL/KIP
+      -analytic 18E+0 00E+0 00E+0 00E+0 00E+0
 
 Np2O5(cr)
-Np2O5     = 2.000NpO2+     - 2.000H+     + 1.000H2O
-     log_k     3.700     
-     delta_h  -79.492    #kJ/mol        
-     # Enthalpy of formation:           -2162.7        #kJ/mol        #01LEM/FUG
-     -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0
+Np2O5 = 2 NpO2+ - 2 H+ + H2O
+      log_k 3.07
+      delta_h -79.492 #kJ/mol
+#     Enthalpy of formation: -2162.700 kJ/mol  01LEM/FUG
+      -analytic -10.8564E+0 00E+0 41.52156E+2 00E+0 00E+0
 
-NpO2(CO3)(s)
-NpO2(CO3)     = 1.000NpO2+2     + 1.000CO3-2
-     log_k   -14.600     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0
+NpCO3OH(s)
+Np(CO3)(OH) = Np+3 - H+ + CO3-2 + H2O
+      log_k -6.35 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic).
+      -analytic -63.5E-1 00E+0 00E+0 00E+0 00E+0
 
-NpO2(CO3)2Na3(s)
-NpO2(CO3)2Na3     = 3.000Na+     + 1.000NpO2+     + 2.000CO3-2
-     log_k   -14.220     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0
+NpO2(cr)
+NpO2 = Np+4 - 4 H+ + 2 H2O
+      log_k -9.75
+      delta_h -53.682 #kJ/mol
+#     Enthalpy of formation: -1074.000 kJ/mol  01LEM/FUG
+      -analytic -19.15468E+0 00E+0 28.04006E+2 00E+0 00E+0
 
-NpO2(CO3)Na:3.5H2O(s)
-NpO2(CO3)Na:3.5H2O     = 1.000Na+     + 1.000NpO2+     + 1.000CO3-2     + 3.500H2O
-     log_k   -11.000     #03GUI/FAN
-     delta_h  30.995     #kJ/mol        
-     # Enthalpy of formation:           -2925.151        #kJ/mol        
-     -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0
-
-NpO2(NH4)4(CO3)3(s)
-NpO2(NH4)4(CO3)3     = 1.000NpO2+2     + 4.000H+     + 3.000CO3-2     + 4.000NH3
-     log_k   -26.810     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0
-
-NpO2(s)
-NpO2     = 1.000Np+4     - 4.000H+     + 2.000H2O
-     log_k    -9.750     
-     delta_h  -53.682    #kJ/mol        
-     # Enthalpy of formation:           -1074        #kJ/mol        #01LEM/FUG
-     -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0
+NpO2(OH)2:H2O(cr)
+NpO2(OH)2:H2O = NpO2+2 - 2 H+ + 3 H2O
+      log_k 5.47 #20GRE/GAO
+      -analytic 54.7E-1 00E+0 00E+0 00E+0 00E+0
 
 NpO2:2H2O(am)
-NpO2:2H2O     = 1.000Np+4     - 4.000H+     + 4.000H2O
-     log_k    -0.700     #03GUI/FAN
-     delta_h  -81.156    #kJ/mol        
-     # Enthalpy of formation:           -1618.186        #kJ/mol        
-     -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0
+NpO2:2H2O = Np+4 - 4 H+ + 4 H2O
+      log_k -0.7 #03GUI/FAN
+      delta_h -81.154 #kJ/mol
+#     Enthalpy of formation: -1618.186 kJ/mol
+      -analytic -14.91757E+0 00E+0 42.38969E+2 00E+0 00E+0
 
-NpO2OH(am,aged)
-NpO2OH     = 1.000NpO2+     - 1.000H+     + 1.000H2O
-     log_k     4.700     #01LEM/FUG
-     delta_h  -41.111    #kJ/mol        
-     # Enthalpy of formation:           -1222.9        #kJ/mol        #01LEM/FUG
-     -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0
+NpO2CO3(cr)
+NpO2CO3 = NpO2+2 + CO3-2
+      log_k -14.83 #20GRE/GAO
+      -analytic -14.83E+0 00E+0 00E+0 00E+0 00E+0
 
-NpO2OH(am,fresh)
-NpO2OH     = 1.000NpO2+     - 1.000H+     + 1.000H2O
-     log_k     5.300     #01LEM/FUG
-     delta_h  -41.111    #kJ/mol        
-     # Enthalpy of formation:           -1222.9        #kJ/mol        #01LEM/FUG
-     -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0
-
-NpO3:H2O(cr)
-NpO3:H2O     = 1.000NpO2+2     - 2.000H+     + 2.000H2O
-     log_k     5.470     #01LEM/FUG
-     delta_h  -52.240    #kJ/mol        
-     # Enthalpy of formation:           -1380.153        #kJ/mol        
-     -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0
+NpO2OH(am)
+NpO2OH = NpO2+ - H+ + H2O
+      log_k 5.3 #01LEM/FUG
+      delta_h -41.111 #kJ/mol
+#     Enthalpy of formation: -1222.900 kJ/mol  01LEM/FUG
+      -analytic -19.02338E-1 00E+0 21.47377E+2 00E+0 00E+0
 
 Okenite
-CaSi2O5:2H2O     = 1.000Ca+2     - 2.000H+     + 2.000H4(SiO4)     - 1.000H2O
-     log_k     9.180     
-     delta_h  -44.388    #kJ/mol        
-     # Enthalpy of formation:           -3135.17        #kJ/mol        #10BLA/BOU1
-     -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0
+CaSi2O5:2H2O = Ca+2 - 2 H+ + 2 H4(SiO4) - H2O
+      log_k 9.18
+      delta_h -44.388 #kJ/mol
+#     Enthalpy of formation: -3135.170 kJ/mol  10BLA/BOU1
+      -analytic 14.03556E-1 00E+0 23.18547E+2 00E+0 00E+0
+      -Vm 94.77
 
-#Olivine
-#Ni2(SiO4)      = 2.000Ni+2     - 4.000H+     + 1.000H4(SiO4)
-     # log_k             
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:           -1396        #kJ/mol        #05GAM/BUG
-     # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 
+Olivine
+Ni2(SiO4) = 2 Ni+2 - 4 H+ + H4(SiO4)
+      log_k 19.68
+      delta_h -175.218 #kJ/mol
+#     Enthalpy of formation: -1396.000 kJ/mol  05GAM/BUG
+      -analytic -11.01688E+0 00E+0 91.52274E+2 00E+0 00E+0
 
 Orpiment
-As2S3     = 9.000H+     + 3.000HS-     + 2.000AsO4-3     - 6.000H2O     - 1.000O2
-     log_k   -41.480     
-     delta_h  -6.843     #kJ/mol        
-     # Enthalpy of formation:           -91.223        #kJ/mol        
-     -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0
+As2S3 = 13 H+ + 4 e- + 3 HS- + 2 AsO4-3 - 8 H2O
+      log_k -127.46
+      delta_h 552.68 #kJ/mol
+#     Enthalpy of formation: -91.223   kJ/mol
+      -analytic -30.63462E+0 00E+0 -28.86849E+3 00E+0 00E+0
 
 P(cr)
-P     = 1.000H+     + 1.000H2(PO4)-     - 1.500H2O     - 1.250O2
-     log_k   140.515     
-     delta_h -858.688    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0
+P = 6 H+ + 5 e- + H2(PO4)- - 4 H2O
+      log_k 33.04
+      delta_h -159.28 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 51.35342E-1 00E+0 83.19774E+2 00E+0 00E+0
 
 Pa(cr)
-Pa     = 1.000Pa+4     + 2.000H2O     - 4.000H+     - 1.000O2
-     log_k   184.730     
-     delta_h -1179.526   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #85BAR/PAR
-     -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0
+Pa = 4 e- + Pa+4
+      log_k 98.75
+      delta_h -620 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  85BAR/PAR
+      -analytic -98.69337E-1 00E+0 32.38486E+3 00E+0 00E+0
 
 Pa2O5(s)
-Pa2O5     = - 2.000H+     + 2.000PaO2+     + 1.000H2O
-     log_k    -4.000     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4E+0 0E+0 0E+0 0E+0 0E+0
+Pa2O5 = -2 H+ + 2 PaO2+ + H2O
+      log_k -4 #76BAE/MES; Uncertainty to include available data.
+      -analytic -40E-1 00E+0 00E+0 00E+0 00E+0
 
 PaO2(s)
-PaO2     = - 4.000H+     + 1.000Pa+4     + 2.000H2O
-     log_k     0.600     #76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6E-1 0E+0 0E+0 0E+0 0E+0
+PaO2 = -4 H+ + Pa+4 + 2 H2O
+      log_k 0.6 #76BAE/MES
+      -analytic 60E-2 00E+0 00E+0 00E+0 00E+0
 
 Paragonite
-NaAl3Si3O10(OH)2     = 1.000Na+     + 3.000Al+3     - 10.000H+     + 3.000H4(SiO4)
-     log_k    16.800     
-     delta_h -301.622    #kJ/mol        
-     # Enthalpy of formation:           -5937.5        #kJ/mol        #96ROU/HOV
-     -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0
+NaAl3Si3O10(OH)2 = Na+ + 3 Al+3 - 10 H+ + 3 H4(SiO4)
+      log_k 16.79
+      delta_h -301.622 #kJ/mol
+#     Enthalpy of formation: -5937.500 kJ/mol  96ROU/HOV
+      -analytic -36.05191E+0 00E+0 15.75481E+3 00E+0 00E+0
+      -Vm 132.1
 
 Paralaurionite
-PbCl(OH)     = 1.000Pb+2     - 1.000H+     + 1.000Cl-     + 1.000H2O
-     log_k     0.620     #99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
-
-Pb(H2PO4)2(cr)
-Pb(H2PO4)2     = 1.000Pb+2     + 2.000H2(PO4)-
-     log_k    -9.840     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0
-
-Pb(HPO4)(s)
-Pb(HPO4)     = 1.000Pb+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k    -4.250     #74NRI
-     delta_h  16.436     #kJ/mol        
-     # Enthalpy of formation:           -1318.116        #kJ/mol        
-     -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0
-
-Pb(OH)2(s)
-Pb(OH)2     = 1.000Pb+2     - 2.000H+     + 2.000H2O
-     log_k    13.510     
-     delta_h  -56.140    #kJ/mol        
-     # Enthalpy of formation:           -514.6        #kJ/mol        #52LAT
-     -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0
-
-Pb(SeO3)(s)
-Pb(SeO3)     = 1.000Pb+2     + 1.000SeO3-2
-     log_k   -12.500     #05OLI/NOL
-     delta_h  25.840     #kJ/mol        
-     # Enthalpy of formation:           -532.08        #kJ/mol        #05OLI/NOL
-     -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0
-
-Pb(SeO4)(s)
-Pb(SeO4)     = 1.000Pb+2     + 1.000SeO4-2
-     log_k    -6.900     #05OLI/NOL
-     delta_h   4.720     #kJ/mol        #05OLI/NOL
-     # Enthalpy of formation:           -607.3        #kJ/mol        
-     -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0
+PbCl(OH) = Pb+2 - H+ + Cl- + H2O
+      log_k 0.62 #99LOT/OCH
+      -analytic 62E-2 00E+0 00E+0 00E+0 00E+0
 
 Pb(cr)
-Pb     = 1.000Pb+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    47.240     
-     delta_h -278.843    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0
+Pb = Pb+2 + 2 e-
+      log_k 4.25
+      delta_h 0.92 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 44.11177E-1 00E+0 -48.05495E+0 00E+0 00E+0
+
+Pb(H2PO4)2(cr)
+Pb(H2PO4)2 = Pb+2 + 2 H2(PO4)-
+      log_k -9.84 #74NRI
+      -analytic -98.4E-1 00E+0 00E+0 00E+0 00E+0
+
+Pb(HPO4)(s)
+Pb(HPO4) = Pb+2 - H+ + H2(PO4)-
+      log_k -4.25 #74NRI
+      delta_h 16.436 #kJ/mol
+#     Enthalpy of formation: -1318.115 kJ/mol
+      -analytic -13.70536E-1 00E+0 -85.85121E+1 00E+0 00E+0
+
+Pb(OH)2(s)
+Pb(OH)2 = Pb+2 - 2 H+ + 2 H2O
+      log_k 13.51
+      delta_h -56.14 #kJ/mol
+#     Enthalpy of formation: -514.600  kJ/mol  52LAT; Uncertainty to cover available data.
+      -analytic 36.74694E-1 00E+0 29.32396E+2 00E+0 00E+0
+
+Pb(Ox)(cr)
+Pb(Ox) = Pb+2 + Ox-2
+      log_k -11.13 #13XIO/KIR
+      -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0
+
+Pb(SeO3)(s)
+Pb(SeO3) = Pb+2 + SeO3-2
+      log_k -12.5 #05OLI/NOL
+      delta_h 25.84 #kJ/mol
+#     Enthalpy of formation: -532.080  kJ/mol  05OLI/NOL
+      -analytic -79.73026E-1 00E+0 -13.49717E+2 00E+0 00E+0
+
+Pb(SeO4)(s)
+Pb(SeO4) = Pb+2 + SeO4-2
+      log_k -6.9 #05OLI/NOL
+      delta_h 4.72 #kJ/mol 05OLI/NOL
+#     Enthalpy of formation: -607.300  kJ/mol
+      -analytic -60.73091E-1 00E+0 -24.65428E+1 00E+0 00E+0
 
 Pb2(SiO4)(s)
-Pb2(SiO4)     = 2.000Pb+2     - 4.000H+     + 1.000H4(SiO4)
-     log_k    15.890     
-     delta_h  -81.474    #kJ/mol        
-     # Enthalpy of formation:           -1377.88        #kJ/mol        #98CHA
-     -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0
+Pb2(SiO4) = 2 Pb+2 - 4 H+ + H4(SiO4)
+      log_k 15.89
+      delta_h -81.474 #kJ/mol
+#     Enthalpy of formation: -1377.880 kJ/mol  98CHA
+      -analytic 16.16368E-1 00E+0 42.55683E+2 00E+0 00E+0
 
 Pb3(AsO4)2(s)
-Pb3(AsO4)2     = 3.000Pb+2     + 2.000AsO4-3
-     log_k   -35.400     #74NAU/RYZ
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0
+Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3
+      log_k -35.4 #74NAU/RYZ
+      -analytic -35.4E+0 00E+0 00E+0 00E+0 00E+0
 
 Pb3(PO4)2(s)
-Pb3(PO4)2     = 3.000Pb+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    -5.260     #74NRI
-     delta_h  -3.548     #kJ/mol        
-     # Enthalpy of formation:           -2598.892        #kJ/mol        
-     -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0
+Pb3(PO4)2 = 3 Pb+2 - 4 H+ + 2 H2(PO4)-
+      log_k -5.26 #74NRI
+      delta_h -3.548 #kJ/mol
+#     Enthalpy of formation: -2598.892 kJ/mol
+      -analytic -58.81583E-1 00E+0 18.53249E+1 00E+0 00E+0
 
 Pb4O(PO4)2(cr)
-Pb4O(PO4)2     = 4.000Pb+2     - 6.000H+     + 2.000H2(PO4)-     + 1.000H2O
-     log_k     2.240     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0
+Pb4O(PO4)2 = 4 Pb+2 - 6 H+ + 2 H2(PO4)- + H2O
+      log_k 2.24 #74NRI
+      -analytic 22.4E-1 00E+0 00E+0 00E+0 00E+0
 
 PbB2O4(s)
-PbB2O4     = 1.000Pb+2     + 2.000B(OH)4-     - 4.000H2O
-     log_k   -10.870     #91BAL/NOR
-     delta_h   2.761     #kJ/mol        #91BAL/NOR
-     # Enthalpy of formation:           -1548.753        #kJ/mol        
-     -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0
+PbB2O4 = Pb+2 + 2 B(OH)4- - 4 H2O
+      log_k -10.87 #91BAL/NOR
+      delta_h 2.761 #kJ/mol 91BAL/NOR
+#     Enthalpy of formation: -1548.753 kJ/mol
+      -analytic -10.38629E+0 00E+0 -14.42171E+1 00E+0 00E+0
 
 PbF2(s)
-PbF2     = 1.000Pb+2     + 2.000F-
-     log_k    -7.520     #99LOT/OCH
-     delta_h   6.530     #kJ/mol        
-     # Enthalpy of formation:           -676.31        #kJ/mol        
-     -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0
+PbF2 = Pb+2 + 2 F-
+      log_k -7.52 #99LOT/OCH
+      delta_h 6.53 #kJ/mol
+#     Enthalpy of formation: -676.309  kJ/mol
+      -analytic -63.75993E-1 00E+0 -34.10857E+1 00E+0 00E+0
 
 PbI2(cr)
-PbI2     = 1.000Pb+2     + 2.000I-
-     log_k    -8.050     
-     delta_h  62.801     #kJ/mol        
-     # Enthalpy of formation:           -175.441        #kJ/mol        
-     -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0
+PbI2 = Pb+2 + 2 I-
+      log_k -8.05
+      delta_h 62.816 #kJ/mol
+#     Enthalpy of formation: -175.456  kJ/mol
+      -analytic 29.54891E-1 00E+0 -32.81108E+2 00E+0 00E+0
 
 PbMoO4(s)
-PbMoO4     = 1.000Pb+2     + 1.000MoO4-2
-     log_k   -15.800     
-     delta_h  55.795     #kJ/mol        
-     # Enthalpy of formation:           -1051.875        #kJ/mol        
-     -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0
+PbMoO4 = Pb+2 + MoO4-2
+      log_k -15.8
+      delta_h 55.795 #kJ/mol
+#     Enthalpy of formation: -1051.875 kJ/mol
+      -analytic -60.25136E-1 00E+0 -29.14376E+2 00E+0 00E+0
 
 PbSiO3(Glass)
-PbSiO3     = 1.000Pb+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     log_k     6.600     
-     delta_h  -36.814    #kJ/mol        
-     # Enthalpy of formation:           -1137.63        #kJ/mol        #74NAU/RYZ
-     -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0
-
-Pd(OH)2(s)
-Pd(OH)2     = - 2.000H+     + 1.000Pd+2     + 2.000H2O
-     log_k    -1.610     #70NAB/KAL
-     delta_h  13.223     #kJ/mol        
-     # Enthalpy of formation:           -395        #kJ/mol        #82WAG/EVA
-     -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0
+PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O
+      log_k 6.6
+      delta_h -36.814 #kJ/mol
+#     Enthalpy of formation: -1137.630 kJ/mol  74NAU/RYZ
+      -analytic 15.04641E-2 00E+0 19.22929E+2 00E+0 00E+0
 
 Pd(cr)
-Pd     = 1.000Pd+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k     9.960     #43TEM/WAT
-     delta_h  -89.880    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0
+Pd = Pd+2 + 2 e-
+      log_k -33.03
+      delta_h 189.889 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  79ROB/HEM in 98SAS/SHO
+      -analytic 23.71248E-2 00E+0 -99.18593E+2 00E+0 00E+0
+
+Pd(OH)2(am)
+Pd(OH)2 = -2 H+ + Pd+2 + 2 H2O
+      log_k -3.58 #12RAI/YUI
+      delta_h 13.229 #kJ/mol
+#     Enthalpy of formation: -395.000  kJ/mol  82WAG/EVA
+      -analytic -12.62379E-1 00E+0 -69.09988E+1 00E+0 00E+0
 
 PdBr2(cr)
-PdBr2     = 1.000Pd+2     + 2.000Br-
-     log_k   -13.310     #89BAE/McK
-     delta_h  51.263     #kJ/mol        
-     # Enthalpy of formation:           -104.2        #kJ/mol        #89BAE/McK
-     -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0
+PdBr2 = Pd+2 + 2 Br-
+      log_k -13.31 #89BAE/McK
+      delta_h 51.269 #kJ/mol
+#     Enthalpy of formation: -104.200  kJ/mol  89BAE/McK
+      -analytic -43.28057E-1 00E+0 -26.77966E+2 00E+0 00E+0
 
 PdCl2(cr)
-PdCl2     = 1.000Pd+2     + 2.000Cl-
-     log_k    -9.200     
-     delta_h  54.423     #kJ/mol        
-     # Enthalpy of formation:           -198.7        #kJ/mol        #82WAG/EVA
-     -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0
+PdCl2 = Pd+2 + 2 Cl-
+      log_k -9.2
+      delta_h 54.429 #kJ/mol
+#     Enthalpy of formation: -198.700  kJ/mol  82WAG/EVA
+      -analytic 33.55515E-2 00E+0 -28.43025E+2 00E+0 00E+0
 
 PdI2(cr)
-PdI2     = 1.000Pd+2     + 2.000I-
-     log_k   -25.870     
-     delta_h  139.923    #kJ/mol        
-     # Enthalpy of formation:           -63.6        #kJ/mol        #89BAE/McK
-     -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0
+PdI2 = Pd+2 + 2 I-
+      log_k -25.87
+      delta_h 139.929 #kJ/mol
+#     Enthalpy of formation: -63.600   kJ/mol  89BAE/McK
+      -analytic -13.55492E-1 00E+0 -73.09001E+2 00E+0 00E+0
 
 PdO(s)
-PdO     = - 2.000H+     + 1.000Pd+2     + 1.000H2O
-     log_k    -6.020     
-     delta_h  -10.547    #kJ/mol        
-     # Enthalpy of formation:           -85.4        #kJ/mol        #82WAG/EVA
-     -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0
+PdO = -2 H+ + Pd+2 + H2O
+      log_k -6.02
+      delta_h -10.541 #kJ/mol
+#     Enthalpy of formation: -85.400   kJ/mol  82WAG/EVA
+      -analytic -78.66704E-1 00E+0 55.05948E+1 00E+0 00E+0
 
 PdS(s)
-PdS     = - 1.000H+     + 1.000Pd+2     + 1.000HS-
-     log_k   -46.860     
-     delta_h  244.293    #kJ/mol        
-     # Enthalpy of formation:           -70.71        #kJ/mol        #74MIL
-     -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0
+PdS = - H+ + Pd+2 + HS-
+      log_k -46.86
+      delta_h 244.299 #kJ/mol
+#     Enthalpy of formation: -70.710   kJ/mol  74MIL
+      -analytic -40.60652E-1 00E+0 -12.76063E+3 00E+0 00E+0
 
 PdSe(s)
-PdSe     = - 1.000H+     + 1.000Pd+2     + 1.000HSe-
-     log_k   -49.110     
-     delta_h  254.463    #kJ/mol        
-     # Enthalpy of formation:           -50.28        #kJ/mol        #74MIL
-     -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0
+PdSe = - H+ + Pd+2 + HSe-
+      log_k -49.11
+      delta_h 254.469 #kJ/mol
+#     Enthalpy of formation: -50.280   kJ/mol  74MIL
+      -analytic -45.28945E-1 00E+0 -13.29184E+3 00E+0 00E+0
 
 Pentahydrite
-MgSO4:5H2O     = 1.000Mg+2     + 1.000SO4-2     + 5.000H2O
-     log_k    -1.280     #80HAR/WEA
-     delta_h  -14.187    #kJ/mol        
-     # Enthalpy of formation:           -2791.303        #kJ/mol        
-     -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0
+MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O
+      log_k -1.28 #80HAR/WEA
+      delta_h -14.187 #kJ/mol
+#     Enthalpy of formation: -2791.300 kJ/mol
+      -analytic -37.65456E-1 00E+0 74.10386E+1 00E+0 00E+0
 
 Periclase
-MgO     = 1.000Mg+2     - 2.000H+     + 1.000H2O
-     log_k    21.580     
-     delta_h -151.230    #kJ/mol        
-     # Enthalpy of formation:           -601.6        #kJ/mol        #89COX/WAG
-     -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0
+MgO = Mg+2 - 2 H+ + H2O
+      log_k 21.58
+      delta_h -151.23 #kJ/mol
+#     Enthalpy of formation: -601.600  kJ/mol  89COX/WAG
+      -analytic -49.14359E-1 00E+0 78.99293E+2 00E+0 00E+0
+      -Vm 11.25
 
 Phillipsite_Ca
-Ca0.5AlSi3O8:3H2O     = 0.500Ca+2     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 1.000H2O
-     log_k     2.320     #09BLA
-     delta_h  -83.630    #kJ/mol        
-     # Enthalpy of formation:           -4824.022        #kJ/mol        
-     -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0
+Ca0.5AlSi3O8:3H2O = 0.5 Ca+2 + Al+3 - 4 H+ + 3 H4(SiO4) - H2O
+      log_k 2.32 #09BLA
+      delta_h -83.633 #kJ/mol
+#     Enthalpy of formation: -4824.020 kJ/mol
+      -analytic -12.33187E+0 00E+0 43.68456E+2 00E+0 00E+0
+      -Vm 151.15
 
 Phillipsite_K
-KAlSi3O8:3H2O     = 1.000K+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 1.000H2O
-     log_k     0.040     #09BLA
-     delta_h  -46.433    #kJ/mol        
-     # Enthalpy of formation:           -4841.859        #kJ/mol        
-     -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0
+KAlSi3O8:3H2O = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O
+      log_k 0.04 #09BLA
+      delta_h -46.436 #kJ/mol
+#     Enthalpy of formation: -4841.858 kJ/mol
+      -analytic -80.95238E-1 00E+0 24.25521E+2 00E+0 00E+0
+      -Vm 148.97
 
 Phillipsite_Na
-NaAlSi3O8:3H2O     = 1.000Na+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 1.000H2O
-     log_k     1.450     #09BLA
-     delta_h  -64.815    #kJ/mol        
-     # Enthalpy of formation:           -4811.677        #kJ/mol        
-     -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0
+NaAlSi3O8:3H2O = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O
+      log_k 1.45 #09BLA
+      delta_h -64.833 #kJ/mol
+#     Enthalpy of formation: -4811.661 kJ/mol
+      -analytic -99.08254E-1 00E+0 33.86463E+2 00E+0 00E+0
+      -Vm 149.69
 
 Phlogopite_K
-KMg3Si3AlO10(OH)2     = 3.000Mg+2     + 1.000K+     + 1.000Al+3     - 10.000H+     + 3.000H4(SiO4)
-     log_k    41.100     
-     delta_h -360.122    #kJ/mol        
-     # Enthalpy of formation:           -6215        #kJ/mol        #92CIR/NAV
-     -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0
+KMg3Si3AlO10(OH)2 = 3 Mg+2 + K+ + Al+3 - 10 H+ + 3 H4(SiO4)
+      log_k 41.08
+      delta_h -360.122 #kJ/mol
+#     Enthalpy of formation: -6215.000 kJ/mol  92CIR/NAV
+      -analytic -22.01067E+0 00E+0 18.81048E+3 00E+0 00E+0
+      -Vm 149.65
 
 Phlogopite_Na
-NaMg3AlSi3O10(OH)2     = 3.000Mg+2     + 1.000Na+     + 1.000Al+3     - 10.000H+     + 3.000H4(SiO4)
-     log_k    44.200     
-     delta_h -391.182    #kJ/mol        
-     # Enthalpy of formation:           -6172.14        #kJ/mol        #98HOL/POW
-     -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0
+NaMg3AlSi3O10(OH)2 = 3 Mg+2 + Na+ + Al+3 - 10 H+ + 3 H4(SiO4)
+      log_k 44.18
+      delta_h -391.182 #kJ/mol
+#     Enthalpy of formation: -6172.140 kJ/mol  98HOL/POW
+      -analytic -24.35214E+0 00E+0 20.43286E+3 00E+0 00E+0
+      -Vm 144.5
 
 Phosgenite
-Pb2(CO3)Cl2     = 2.000Pb+2     + 1.000CO3-2     + 2.000Cl-
-     log_k    19.900     #74NAU/RYZ
-     delta_h -163.291    #kJ/mol        
-     # Enthalpy of formation:           -844.259        #kJ/mol        
-     -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0
+Pb2(CO3)Cl2 = 2 Pb+2 + CO3-2 + 2 Cl-
+      log_k 19.9 #74NAU/RYZ
+      delta_h -163.291 #kJ/mol
+#     Enthalpy of formation: -844.259  kJ/mol
+      -analytic -87.07355E-1 00E+0 85.29283E+2 00E+0 00E+0
 
 Picromerite
-K2Mg(SO4)2:6H2O     = 1.000Mg+2     + 2.000K+     + 2.000SO4-2     + 6.000H2O
-     log_k    -4.330     #84HAR/MOL
-     delta_h  33.487     #kJ/mol        
-     # Enthalpy of formation:           -4538.427        #kJ/mol        #74NAU/RYZ
-     -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0
+K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O
+      log_k -4.33 #84HAR/MOL
+      delta_h 33.487 #kJ/mol
+#     Enthalpy of formation: -4538.427 kJ/mol  74NAU/RYZ
+      -analytic 15.36671E-1 00E+0 -17.49148E+2 00E+0 00E+0
 
 Pirssonite
-Na2Ca(CO3)2:2H2O     = 1.000Ca+2     + 2.000Na+     + 2.000CO3-2     + 2.000H2O
-     log_k    -8.910     #99KON/KON
-     delta_h   9.580     #kJ/mol        
-     # Enthalpy of formation:           -2955.38        #kJ/mol        
-     -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0
+Na2Ca(CO3)2:2H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 2 H2O
+      log_k -8.91 #99KON/KON
+      delta_h 9.579 #kJ/mol
+#     Enthalpy of formation: -2955.379 kJ/mol
+      -analytic -72.31831E-1 00E+0 -50.0346E+1 00E+0 00E+0
 
 Plattnerite
-PbO2     = 1.000Pb+2     - 2.000H+     + 1.000H2O     + 0.500O2
-     log_k     6.610     
-     delta_h  -16.507    #kJ/mol        
-     # Enthalpy of formation:           -274.47        #kJ/mol        #98CHA
-     -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0
+PbO2 = Pb+2 - 4 H+ - 2 e- + 2 H2O
+      log_k 49.6
+      delta_h -296.27 #kJ/mol
+#     Enthalpy of formation: -274.470  kJ/mol  98CHA
+      -analytic -23.04276E-1 00E+0 15.47526E+3 00E+0 00E+0
 
 Plumbogummite
-PbAl3(PO4)2(OH)5:H2O     = 1.000Pb+2     + 3.000Al+3     - 9.000H+     + 2.000H2(PO4)-     + 6.000H2O
-     log_k    13.240     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0
+PbAl3(PO4)2(OH)5:H2O = Pb+2 + 3 Al+3 - 9 H+ + 2 H2(PO4)- + 6 H2O
+      log_k 13.24 #74NRI
+      -analytic 13.24E+0 00E+0 00E+0 00E+0 00E+0
 
 Plumbonacrite
-Pb10(CO3)6O(OH)6     = 10.000Pb+2     - 8.000H+     + 6.000CO3-2     + 7.000H2O
-     log_k   -42.090     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0
+Pb10(CO3)6O(OH)6 = 10 Pb+2 - 8 H+ + 6 CO3-2 + 7 H2O
+      log_k -42.09
+      -analytic -42.09E+0 00E+0 00E+0 00E+0 00E+0
 
 Polydymite
-Ni3S4     = 3.000Ni+2     - 2.000H+     + 4.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -82.260     
-     delta_h  375.879    #kJ/mol        
-     # Enthalpy of formation:           -326.352        #kJ/mol        #74MIL
-     -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0
+Ni3S4 = 3 Ni+2 - 4 H+ - 2 e- + 4 HS-
+      log_k -39.27
+      delta_h 96.116 #kJ/mol
+#     Enthalpy of formation: -326.352  kJ/mol  74MIL
+      -analytic -22.4312E+0 00E+0 -50.20488E+2 00E+0 00E+0
 
 Polyhalite
-K2MgCa2(SO4)4:2H2O     = 2.000Ca+2     + 1.000Mg+2     + 2.000K+     + 4.000SO4-2     + 2.000H2O
-     log_k   -13.740     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0
+K2MgCa2(SO4)4:2H2O = 2 Ca+2 + Mg+2 + 2 K+ + 4 SO4-2 + 2 H2O
+      log_k -13.74 #84HAR/MOL
+      -analytic -13.74E+0 00E+0 00E+0 00E+0 00E+0
 
 Portlandite
-Ca(OH)2     = 1.000Ca+2     - 2.000H+     + 2.000H2O
-     log_k    22.810     #10BLA/BOU1
-     delta_h -130.078    #kJ/mol        
-     # Enthalpy of formation:           -984.582        #kJ/mol        
-     -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0
-
-Pu(CO3)(OH)(s)
-Pu(CO3)(OH)     = 1.000Pu+3     - 1.000H+     + 1.000CO3-2     + 1.000H2O
-     log_k    -5.740     #Estimated by correlation with An(III) in function of ionic radii
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
-
-Pu(HPO4)2(am,hyd)
-Pu(HPO4)2     = 1.000Pu+4     - 2.000H+     + 2.000H2(PO4)-
-     log_k   -16.030     #01LEM/FUG
-     delta_h  -32.718    #kJ/mol        
-     # Enthalpy of formation:           -3112.377        #kJ/mol        
-     -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0
-
-Pu(OH)3(cr)
-Pu(OH)3     = 1.000Pu+3     - 3.000H+     + 3.000H2O
-     log_k    15.800     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0
-
-Pu(OH)4(am)
-Pu(OH)4     = 1.000Pu+4     - 4.000H+     + 4.000H2O
-     log_k    -0.800     #89LEM/GAR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8E-1 0E+0 0E+0 0E+0 0E+0
-
-Pu(PO4)(s,hyd)
-Pu(PO4)     = 1.000Pu+3     - 2.000H+     + 1.000H2(PO4)-
-     log_k    -5.040     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0
+Ca(OH)2 = Ca+2 - 2 H+ + 2 H2O
+      log_k 22.81 #10BLA/BOU1
+      delta_h -130.107 #kJ/mol
+#     Enthalpy of formation: -984.552  kJ/mol
+      -analytic 16.23204E-3 00E+0 67.95962E+2 00E+0 00E+0
+      -Vm 33.06
 
 Pu(cr)
-Pu     = 1.000Pu+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   165.915     
-     delta_h -1011.435   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #01LEM/FUG
-     -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0
+Pu = Pu+3 + 3 e-
+      log_k 101.43
+      delta_h -591.79 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  01LEM/FUG
+      -analytic -22.47158E-1 00E+0 30.91134E+3 00E+0 00E+0
+
+Pu(HPO4)2(am,hyd)
+Pu(HPO4)2 = Pu+4 - 2 H+ + 2 H2(PO4)-
+      log_k -16.03 #01LEM/FUG
+      delta_h -32.691 #kJ/mol
+#     Enthalpy of formation: -3112.403 kJ/mol
+      -analytic -21.75722E+0 00E+0 17.0757E+2 00E+0 00E+0
+
+Pu(OH)3(am)
+Pu(OH)3 = Pu+3 - 3 H+ + 3 H2O
+      log_k 14.58 #20GRE/GAO
+      -analytic 14.58E+0 00E+0 00E+0 00E+0 00E+0
+
+Pu(PO4)(am)
+Pu(PO4) = Pu+3 - 2 H+ + H2(PO4)-
+      log_k -4.88 #20GRE/GAO
+      -analytic -48.8E-1 00E+0 00E+0 00E+0 00E+0
 
 Pu2O3(s)
-Pu2O3     = 2.000Pu+3     - 6.000H+     + 3.000H2O
-     log_k    50.630     
-     delta_h -385.070    #kJ/mol        
-     # Enthalpy of formation:           -1656        #kJ/mol        #01LEM/FUG
-     -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0
+Pu2O3 = 2 Pu+3 - 6 H+ + 3 H2O
+      log_k 50.63
+      delta_h -385.07 #kJ/mol
+#     Enthalpy of formation: -1656.000 kJ/mol  01LEM/FUG
+      -analytic -16.83137E+0 00E+0 20.11361E+3 00E+0 00E+0
 
 PuAs(s)
-PuAs     = 1.000AsO4-3     + 1.000PuO2+2     - 0.500H2O     + 1.000H+     - 2.750O2
-     log_k   192.005     
-     delta_h -1293.893   #kJ/mol        
-     # Enthalpy of formation:           -240        #kJ/mol        #01LEM/FUG
-     -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0
+PuAs = PuO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O
+      log_k -44.42
+      delta_h 244.804 #kJ/mol
+#     Enthalpy of formation: -240.000  kJ/mol  01LEM/FUG
+      -analytic -15.3218E-1 00E+0 -12.787E+3 00E+0 00E+0
+
+PuCO3OH(s)
+Pu(CO3)(OH) = Pu+3 - H+ + CO3-2 + H2O
+      log_k -6.27 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic).
+      -analytic -62.7E-1 00E+0 00E+0 00E+0 00E+0
 
 PuF4(s)
-PuF4     = 1.000Pu+4     + 4.000F-
-     log_k   -26.070     #01LEM/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0
+PuF4 = Pu+4 + 4 F-
+      log_k -26.07 #01LEM/FUG
+      -analytic -26.07E+0 00E+0 00E+0 00E+0 00E+0
 
-PuO2(CO3)(s)
-PuO2(CO3)     = 1.000PuO2+2     + 1.000CO3-2
-     log_k   -14.650     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0
+PuO2(CO3)(cr)
+PuO2(CO3) = PuO2+2 + CO3-2
+      log_k -14.82 #20GRE/GAO
+      -analytic -14.82E+0 00E+0 00E+0 00E+0 00E+0
 
-PuO2(OH)(s)
-PuO2(OH)     = 1.000PuO2+     - 1.000H+     + 1.000H2O
-     log_k     5.000     #01LEM/FUG
-     delta_h  -36.164    #kJ/mol        
-     # Enthalpy of formation:           -1159.793        #kJ/mol        
-     -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0
+PuO2(coll)
+PuO2 = Pu+4 - 4 H+ + 2 H2O
+      log_k 0.2 #07NEC/ALT3
+      -analytic 20E-2 00E+0 00E+0 00E+0 00E+0
 
-PuO2(OH)2:H2O(s)
-PuO2(OH)2:H2O     = 1.000PuO2+2     - 2.000H+     + 3.000H2O
-     log_k     5.500     #01LEM/FUG
-     delta_h  -46.718    #kJ/mol        
-     # Enthalpy of formation:           -1632.808        #kJ/mol        
-     -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0
+PuO2(cr)
+PuO2 = Pu+4 - 4 H+ + 2 H2O
+      log_k -8.03
+      delta_h -55.755 #kJ/mol
+#     Enthalpy of formation: -1055.800 kJ/mol  01LEM/FUG
+      -analytic -17.79786E+0 00E+0 29.12286E+2 00E+0 00E+0
+
+PuO2(OH)2:H2O(am)
+PuO2(OH)2:H2O = PuO2+2 - 2 H+ + 3 H2O
+      log_k 5.17 #20GRE/GAO
+      delta_h -44.834 #kJ/mol
+#     Enthalpy of formation: -1634.691 kJ/mol
+      -analytic -26.8458E-1 00E+0 23.41843E+2 00E+0 00E+0
 
 PuO2(Ox):3H2O(s)
-PuO2(Ox):3H2O     = 1.000PuO2+2     + 1.000Ox-2     + 3.000H2O
-     log_k   -10.000     #05HUM/AND
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1E+1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(coll,hyd)
-PuO2     = 1.000Pu+4     - 4.000H+     + 2.000H2O
-     log_k     0.200     #07NEC/ALT3
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2E-1 0E+0 0E+0 0E+0 0E+0
-
-PuO2(s)
-PuO2     = 1.000Pu+4     - 4.000H+     + 2.000H2O
-     log_k    -8.030     
-     delta_h  -55.755    #kJ/mol        
-     # Enthalpy of formation:           -1055.8        #kJ/mol        #01LEM/FUG
-     -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0
+PuO2(Ox):3H2O = PuO2+2 + Ox-2 + 3 H2O
+      log_k -10 #05HUM/AND
+      -analytic -10E+0 00E+0 00E+0 00E+0 00E+0
 
 PuO2:2H2O(am)
-PuO2:2H2O     = 1.000Pu+4     - 4.000H+     + 4.000H2O
-     log_k    -2.370     #03GUI/FAN
-     delta_h  -58.548    #kJ/mol        
-     # Enthalpy of formation:           -1624.667        #kJ/mol        
-     -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0
+PuO2:2H2O = Pu+4 - 4 H+ + 4 H2O
+      log_k -2.33 #03GUI/FAN
+      delta_h -58.774 #kJ/mol
+#     Enthalpy of formation: -1624.439 kJ/mol
+      -analytic -12.62676E+0 00E+0 30.6998E+2 00E+0 00E+0
+
+PuO2OH(am)
+PuO2OH = PuO2+ - H+ + H2O
+      log_k 5 #01LEM/FUG
+      delta_h -36.164 #kJ/mol
+#     Enthalpy of formation: -1159.793 kJ/mol
+      -analytic -13.35661E-1 00E+0 18.88977E+2 00E+0 00E+0
 
 Pyrite
-FeS2      = 1.000Fe+2     + 2.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -58.780     
-     delta_h  324.813    #kJ/mol        
-     # Enthalpy of formation:           -167.65        #kJ/mol        #76RAU in 04CHI
-     -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0
+FeS2 = Fe+2 - 2 H+ - 2 e- + 2 HS-
+      log_k -16.82
+      delta_h 50.735 #kJ/mol
+#     Enthalpy of formation: -173.630  kJ/mol  20LEM/PAL
+      -analytic -79.3161E-1 00E+0 -26.50074E+2 00E+0 00E+0
+      -Vm 23.94
 
 Pyrochroite
-Mn(OH)2      = 1.000Mn+2     - 2.000H+     + 2.000H2O
-     log_k    15.300     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0
+Mn(OH)2 = Mn+2 - 2 H+ + 2 H2O
+      log_k 15.3 #96FAL/REA
+      -analytic 15.3E+0 00E+0 00E+0 00E+0 00E+0
 
 Pyromorphite
-Pb5Cl(PO4)3     = 5.000Pb+2     - 6.000H+     + 1.000Cl-     + 3.000H2(PO4)-
-     log_k   -25.750     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0
+Pb5Cl(PO4)3 = 5 Pb+2 - 6 H+ + Cl- + 3 H2(PO4)-
+      log_k -25.75 #74NRI
+      -analytic -25.75E+0 00E+0 00E+0 00E+0 00E+0
 
 Pyromorphite-Br
-Pb5Br(PO4)3     = 5.000Pb+2     - 6.000H+     + 1.000Br-     + 3.000H2(PO4)-
-     log_k   -19.450     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0
+Pb5Br(PO4)3 = 5 Pb+2 - 6 H+ + Br- + 3 H2(PO4)-
+      log_k -19.45 #74NRI
+      -analytic -19.45E+0 00E+0 00E+0 00E+0 00E+0
 
 Pyromorphite-F
-Pb5F(PO4)3     = 5.000Pb+2     - 6.000H+     + 1.000F-     + 3.000H2(PO4)-
-     log_k   -13.100     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0
+Pb5F(PO4)3 = 5 Pb+2 - 6 H+ + F- + 3 H2(PO4)-
+      log_k -13.1 #74NRI
+      -analytic -13.1E+0 00E+0 00E+0 00E+0 00E+0
 
 Pyromorphite-OH
-Pb5(OH)(PO4)3     = 5.000Pb+2     - 7.000H+     + 3.000H2(PO4)-     + 1.000H2O
-     log_k    -4.150     #74NRI
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
+Pb5(OH)(PO4)3 = 5 Pb+2 - 7 H+ + 3 H2(PO4)- + H2O
+      log_k -4.15 #74NRI
+      -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Pyrophyllite
-Al2Si4O10(OH)2     = 2.000Al+3     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k    -0.420     
-     delta_h -138.256    #kJ/mol        
-     # Enthalpy of formation:           -5640        #kJ/mol        #95ROB/HEM
-     -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0
+Al2Si4O10(OH)2 = 2 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k -0.44
+      delta_h -138.256 #kJ/mol
+#     Enthalpy of formation: -5640.000 kJ/mol  95ROB/HEM
+      -analytic -24.66141E+0 00E+0 72.21614E+2 00E+0 00E+0
+      -Vm 128.1
 
 Pyrrhotite
-Fe0.87S     = 0.870Fe+2     - 0.740H+     + 1.000HS-     - 0.130H2O     + 0.065O2
-     log_k   -11.179     
-     delta_h  38.819     #kJ/mol        
-     # Enthalpy of formation:           -97.5        #kJ/mol        #95ROB/HEM
-     -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0
+Fe0.87S = 0.87 Fe+2 - H+ - 0.26 e- + HS-
+      log_k -5.32
+      delta_h 0.673 #kJ/mol
+#     Enthalpy of formation: -95.530   kJ/mol  20LEM/PAL
+      -analytic -52.02095E-1 00E+0 -35.15324E+0 00E+0 00E+0
+      -Vm 18.2
 
 Quartz
-SiO2     = 1.000H4(SiO4)     - 2.000H2O
-     log_k    -3.740     
-     delta_h  21.166     #kJ/mol        
-     # Enthalpy of formation:           -910.7        #kJ/mol        #82RIC/BOT
-     -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0
+SiO2 = H4(SiO4) - 2 H2O
+      log_k -3.74
+      delta_h 21.166 #kJ/mol
+#     Enthalpy of formation: -910.700  kJ/mol  82RIC/BOT
+      -analytic -31.87597E-3 00E+0 -11.05577E+2 00E+0 00E+0
+      -Vm 22.69
 
 Ra(CO3)(s)
-Ra(CO3)     = 1.000Ra+2     + 1.000CO3-2
-     log_k    -8.300     #85LAN/RIE
-     delta_h  13.390     #kJ/mol        
-     # Enthalpy of formation:           -1216.646        #kJ/mol        
-     -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0
-
-Ra(NO3)2(s)
-Ra(NO3)2     = 1.000Ra+2     + 2.000NO3-
-     log_k    -2.210     
-     delta_h  49.980     #kJ/mol        
-     # Enthalpy of formation:           -991.706        #kJ/mol        
-     -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0
-
-Ra(OH)2(s)
-Ra(OH)2     = - 2.000H+     + 1.000Ra+2     + 2.000H2O
-     log_k    30.990     
-     delta_h -149.763    #kJ/mol        
-     # Enthalpy of formation:           -949.923        #kJ/mol        
-     -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0
-
-Ra(SO4)(s)
-Ra(SO4)     = 1.000Ra+2     + 1.000SO4-2
-     log_k   -10.260     #99SCH, 85LAN/RIE
-     delta_h  38.910     #kJ/mol        
-     # Enthalpy of formation:           -1476.275        #kJ/mol        
-     -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0
+Ra(CO3) = Ra+2 + CO3-2
+      log_k -8.3 #85LAN/RIE; Uncertainty estimated by analogy with Sr(CO3)(s).
+      delta_h 13.64 #kJ/mol
+#     Enthalpy of formation: -1216.896 kJ/mol
+      -analytic -59.10375E-1 00E+0 -71.24668E+1 00E+0 00E+0
 
 Ra(cr)
-Ra     = 1.000Ra+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k   141.430     
-     delta_h -807.788    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #82WAG/EVA
-     -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0
+Ra = Ra+2 + 2 e-
+      log_k 98.44
+      delta_h -528.025 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  82WAG/EVA
+      -analytic 59.33991E-1 00E+0 27.58067E+3 00E+0 00E+0
+
+Ra(NO3)2(s)
+Ra(NO3)2 = Ra+2 + 2 NO3-
+      log_k -2.21
+      delta_h 49.981 #kJ/mol
+#     Enthalpy of formation: -991.706  kJ/mol
+      -analytic 65.46295E-1 00E+0 -26.10689E+2 00E+0 00E+0
+
+Ra(OH)2(s)
+Ra(OH)2 = -2 H+ + Ra+2 + 2 H2O
+      log_k 30.99
+      delta_h -149.762 #kJ/mol
+#     Enthalpy of formation: -949.923  kJ/mol
+      -analytic 47.52824E-1 00E+0 78.22614E+2 00E+0 00E+0
+
+Ra(SO4)(s)
+Ra(SO4) = Ra+2 + SO4-2
+      log_k -10.26 #99SCH, 85LAN/RIE
+      delta_h 39.014 #kJ/mol
+#     Enthalpy of formation: -1476.379 kJ/mol
+      -analytic -34.25041E-1 00E+0 -20.37843E+2 00E+0 00E+0
 
 RaCl2:2H2O(s)
-RaCl2:2H2O     = 1.000Ra+2     + 2.000Cl-     + 2.000H2O
-     log_k    -0.730     
-     delta_h  32.220     #kJ/mol        
-     # Enthalpy of formation:           -1466.065        #kJ/mol        
-     -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0
+RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O
+      log_k -0.73
+      delta_h 32.221 #kJ/mol
+#     Enthalpy of formation: -1466.065 kJ/mol
+      -analytic 49.14877E-1 00E+0 -16.8302E+2 00E+0 00E+0
 
-Rb(s)
-Rb     = 1.000Rb+     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    71.255     
-     delta_h -391.002    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0
+Rb(cr)
+Rb = e- + Rb+
+      log_k 49.76
+      delta_h -251.12 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic 57.65664E-1 00E+0 13.11691E+3 00E+0 00E+0
 
 Rb2MoO4(s)
-Rb2MoO4     = 1.000MoO4-2     + 2.000Rb+
-     log_k     3.100     
-     delta_h  -5.391     #kJ/mol        
-     # Enthalpy of formation:           -1493.849        #kJ/mol        
-     -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0
+Rb2MoO4 = MoO4-2 + 2 Rb+
+      log_k 3.1
+      delta_h -5.315 #kJ/mol
+#     Enthalpy of formation: -1493.925 kJ/mol
+      -analytic 21.68852E-1 00E+0 27.76218E+1 00E+0 00E+0
 
 Realgar
-AsS     = 4.000H+     + 1.000HS-     + 1.000AsO4-3     - 2.500H2O     - 0.750O2
-     log_k    -2.575     
-     delta_h -109.359    #kJ/mol        
-     # Enthalpy of formation:           -71.406        #kJ/mol        
-     -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0
+AsS = 7 H+ + 3 e- + HS- + AsO4-3 - 4 H2O
+      log_k -67.06
+      delta_h 310.285 #kJ/mol
+#     Enthalpy of formation: -71.406   kJ/mol
+      -analytic -12.7004E+0 00E+0 -16.20731E+3 00E+0 00E+0
 
 Rhodochrosite
-Mn(CO3)     = 1.000Mn+2     + 1.000CO3-2
-     log_k   -11.130     #92PEA/BER
-     delta_h  -5.899     #kJ/mol        
-     # Enthalpy of formation:           -890.081        #kJ/mol        
-     -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0
+Mn(CO3) = Mn+2 + CO3-2
+      log_k -11.13 #92PEA/BER
+      delta_h -5.899 #kJ/mol 92PEA/BER
+#     Enthalpy of formation: -890.131  kJ/mol
+      -analytic -12.16346E+0 00E+0 30.81262E+1 00E+0 00E+0
 
 Rhodochrosite(syn)
-Mn(CO3)     = 1.000Mn+2     + 1.000CO3-2
-     log_k   -10.520     
-     delta_h  -6.792     #kJ/mol        
-     # Enthalpy of formation:           -889.188        #kJ/mol        #92JOH
-     -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0
+Mn(CO3) = Mn+2 + CO3-2
+      log_k -10.49
+      delta_h -6.842 #kJ/mol
+#     Enthalpy of formation: -889.188  kJ/mol  92JOH
+      -analytic -11.68867E+0 00E+0 35.73825E+1 00E+0 00E+0
 
 Ripidolite_Cca-2
-(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8     = 0.011Ca+2     + 2.964Mg+2     + 0.215Fe+3     + 1.712Fe+2     + 2.483Al+3     - 17.468H+     + 2.633H4(SiO4)     + 7.468H2O
-     log_k    61.350     
-     delta_h -633.385    #kJ/mol        
-     # Enthalpy of formation:           -8240.14        #kJ/mol        #13BLA/GAI2
-     -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0
+(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011 Ca+2 + 2.964 Mg+2 + 0.215 Fe+3 + 1.712 Fe+2 + 2.483 Al+3 - 17.468 H+ + 2.633 H4(SiO4) + 7.468 H2O
+      log_k 61.35
+      delta_h -634.118 #kJ/mol
+#     Enthalpy of formation: -8240.140 kJ/mol  13BLA/GAI2
+      -analytic -49.7427E+0 00E+0 33.12229E+3 00E+0 00E+0
+      -Vm 211.83
 
 Romarchite
-SnO     = 1.000Sn+2     - 2.000H+     + 1.000H2O
-     log_k     1.590     
-     delta_h  -11.207    #kJ/mol        
-     # Enthalpy of formation:           -284.24        #kJ/mol        #12GAM/GAJ
-     -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0
+SnO = Sn+2 - 2 H+ + H2O
+      log_k 1.59
+      delta_h -11.207 #kJ/mol
+#     Enthalpy of formation: -284.240  kJ/mol  12GAM/GAJ
+      -analytic -37.33821E-2 00E+0 58.53824E+1 00E+0 00E+0
 
 Rutherfordine
-(UO2)(CO3)     = 1.000UO2+2     + 1.000CO3-2
-     log_k   -14.760     #03GUI/FAN
-     delta_h  -2.929     #kJ/mol        
-     # Enthalpy of formation:           -1691.301        #kJ/mol        
-     -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0
+(UO2)(CO3) = UO2+2 + CO3-2
+      log_k -14.76 #03GUI/FAN
+      delta_h -2.929 #kJ/mol
+#     Enthalpy of formation: -1691.302 kJ/mol
+      -analytic -15.27314E+0 00E+0 15.29923E+1 00E+0 00E+0
 
 S(cr)
-S     = 1.000H+     + 1.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -45.130     
-     delta_h  263.463    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0
+S = - H+ - 2 e- + HS-
+      log_k -2.14
+      delta_h -16.3 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -49.95637E-1 00E+0 85.14083E+1 00E+0 00E+0
 
 Sacchite
-MnCl2      = 1.000Mn+2     + 2.000Cl-
-     log_k     8.770     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
+MnCl2 = Mn+2 + 2 Cl-
+      log_k 8.77 #96FAL/REA
+      -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0
 
 Sanidine
-KAlSi3O8     = 1.000K+     + 1.000Al+3     - 4.000H+     + 3.000H4(SiO4)     - 4.000H2O
-     log_k     0.580     
-     delta_h  -65.073    #kJ/mol        
-     # Enthalpy of formation:           -3965.73        #kJ/mol        #99ARN/STE
-     -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0
-
-Saponite-Ca
-Ca0.17Mg3Al0.34Si3.66O10(OH)2     = 0.170Ca+2     + 3.000Mg+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    29.340     
-     delta_h -271.305    #kJ/mol        
-     # Enthalpy of formation:           -5998.44        #kJ/mol        #15BLA/VIE
-     -analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0
-
-Saponite-FeCa
-Ca0.17Mg2FeAl0.34Si3.66O10(OH)2     = 0.170Ca+2     + 2.000Mg+2     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    26.550     
-     delta_h -259.175    #kJ/mol        
-     # Enthalpy of formation:           -5633.57        #kJ/mol        #15BLA/VIE
-     -analytic -1.88554E+1 0E+0 1.35376E+4 0E+0 0E+0
-
-Saponite-FeK
-K0.34Mg2FeAl0.34Si3.66O10(OH)2     = 2.000Mg+2     + 0.340K+     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    25.380     
-     delta_h -240.632    #kJ/mol        
-     # Enthalpy of formation:           -5645.53        #kJ/mol        #15BLA/VIE
-     -analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0
-
-Saponite-FeMg
-Mg0.17Mg2FeAl0.34Si3.66O10(OH)2     = 2.170Mg+2     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    26.000     
-     delta_h -260.345    #kJ/mol        
-     # Enthalpy of formation:           -5619.48        #kJ/mol        #15BLA/VIE
-     -analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0
-
-Saponite-FeNa
-Na0.34Mg2FeAl0.34Si3.66O10(OH)2     = 2.000Mg+2     + 0.340Na+     + 1.000Fe+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    25.700     
-     delta_h -248.260    #kJ/mol        
-     # Enthalpy of formation:           -5633.89        #kJ/mol        #15BLA/VIE
-     -analytic -1.77932E+1 0E+0 1.29675E+4 0E+0 0E+0
-
-Saponite-K
-K0.34Mg3Al0.34Si3.66O10(OH)2     = 3.000Mg+2     + 0.340K+     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    28.170     
-     delta_h -252.772    #kJ/mol        
-     # Enthalpy of formation:           -6010.39        #kJ/mol        #15BLA/VIE
-     -analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0
-
-Saponite-Mg
-Mg0.17Mg3Al0.34Si3.66O10(OH)2     = 3.170Mg+2     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    28.790     
-     delta_h -272.485    #kJ/mol        
-     # Enthalpy of formation:           -5984.34        #kJ/mol        #15BLA/VIE
-     -analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0
-
-Saponite-Na
-Na0.34Mg3Al0.34Si3.66O10(OH)2     = 3.000Mg+2     + 0.340Na+     + 0.340Al+3     - 7.360H+     + 3.660H4(SiO4)     - 2.640H2O
-     log_k    28.670     
-     delta_h -261.390    #kJ/mol        
-     # Enthalpy of formation:           -5997.76        #kJ/mol        #15BLA/VIE
-     -analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0
+KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O
+      log_k 0.58
+      delta_h -65.072 #kJ/mol
+#     Enthalpy of formation: -3965.730 kJ/mol  99ARN/STE
+      -analytic -10.82013E+0 00E+0 33.98947E+2 00E+0 00E+0
 
 Saponite_SapCa
-(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2     = 0.038Ca+2     + 2.949Mg+2     + 0.021K+     + 0.394Na+     + 0.034Fe+3     + 0.021Fe+2     + 0.397Al+3     - 7.724H+     + 3.569H4(SiO4)     - 2.276H2O
-     log_k    31.470     
-     delta_h -285.499    #kJ/mol        
-     # Enthalpy of formation:           -5994.06        #kJ/mol        #13GAI/BLA
-     -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0
+(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) - 2.276 H2O
+      log_k 31.45
+      delta_h -285.541 #kJ/mol
+#     Enthalpy of formation: -5994.060 kJ/mol  13GAI/BLA
+      -analytic -18.57464E+0 00E+0 14.91485E+3 00E+0 00E+0
+      -Vm 141.66
 
 Saponite_SapCa(4.151H2O)
-(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O     = 0.038Ca+2     + 2.949Mg+2     + 0.021K+     + 0.394Na+     + 0.034Fe+3     + 0.021Fe+2     + 0.397Al+3     - 7.724H+     + 3.569H4(SiO4)     + 1.875H2O
-     log_k    28.300     
-     delta_h -255.590    #kJ/mol        
-     # Enthalpy of formation:           -7210.45        #kJ/mol        #09GAI
-     -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0
+(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) + 1.875 H2O
+      log_k 28.27
+      delta_h -255.631 #kJ/mol
+#     Enthalpy of formation: -7210.450 kJ/mol  09GAI
+      -analytic -16.51463E+0 00E+0 13.35254E+3 00E+0 00E+0
+      -Vm 216.67
+
+Saponite-Ca
+Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 29.34
+      delta_h -271.305 #kJ/mol
+#     Enthalpy of formation: -5998.440 kJ/mol  15BLA/VIE
+      -analytic -18.1906E+0 00E+0 14.17125E+3 00E+0 00E+0
+      -Vm 142.57
+
+Saponite-FeCa
+Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 24.48
+      delta_h -259.47 #kJ/mol
+#     Enthalpy of formation: -5633.570 kJ/mol  15BLA/VIE
+      -analytic -20.97719E+0 00E+0 13.55306E+3 00E+0 00E+0
+      -Vm 145.15
+
+Saponite-FeK
+K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 25.4
+      delta_h -240.927 #kJ/mol
+#     Enthalpy of formation: -5645.530 kJ/mol  15BLA/VIE
+      -analytic -16.8086E+0 00E+0 12.58449E+3 00E+0 00E+0
+      -Vm 144.27
+
+Saponite-FeMg
+Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 26.03
+      delta_h -260.64 #kJ/mol
+#     Enthalpy of formation: -5619.480 kJ/mol  15BLA/VIE
+      -analytic -19.63217E+0 00E+0 13.61418E+3 00E+0 00E+0
+      -Vm 141.16
+
+Saponite-FeNa
+Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 25.73
+      delta_h -248.555 #kJ/mol
+#     Enthalpy of formation: -5633.890 kJ/mol  15BLA/VIE
+      -analytic -17.81497E+0 00E+0 12.98293E+3 00E+0 00E+0
+      -Vm 143.54
+
+Saponite-K
+K0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 28.17
+      delta_h -252.772 #kJ/mol
+#     Enthalpy of formation: -6010.390 kJ/mol  15BLA/VIE
+      -analytic -16.11375E+0 00E+0 13.2032E+3 00E+0 00E+0
+      -Vm 141.69
+
+Saponite-Mg
+Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 28.79
+      delta_h -272.485 #kJ/mol
+#     Enthalpy of formation: -5984.340 kJ/mol  15BLA/VIE
+      -analytic -18.94732E+0 00E+0 14.23288E+3 00E+0 00E+0
+      -Vm 138.58
+
+Saponite-Na
+Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O
+      log_k 28.67
+      delta_h -261.39 #kJ/mol
+#     Enthalpy of formation: -5997.760 kJ/mol  15BLA/VIE
+      -analytic -17.12356E+0 00E+0 13.65335E+3 00E+0 00E+0
+      -Vm 140.96
 
 Sb(cr)
-Sb     = 1.000Sb(OH)3     - 1.500H2O     - 0.750O2
-     log_k    52.815     
-     delta_h -336.045    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0
+Sb = 3 H+ + 3 e- + Sb(OH)3 - 3 H2O
+      log_k -11.67
+      delta_h 83.597 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  98KON/VAN
+      -analytic 29.75566E-1 00E+0 -43.66575E+2 00E+0 00E+0
 
 Sb2O5(s)
-Sb2O5     = 2.000Sb(OH)5     - 5.000H2O
-     log_k    -7.400     #48TOU/MOU in 76BAE/MES
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0
+Sb2O5 = 2 Sb(OH)5 - 5 H2O
+      log_k -7.4 #48TOU/MOU in 76BAE/MES
+      -analytic -74E-1 00E+0 00E+0 00E+0 00E+0
 
-Schoepite
-UO3:2H2O     = 1.000UO2+2     - 2.000H+     + 3.000H2O
-     log_k     5.960     #91SAN/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0
-
-Schoepite(des)
-UO3:0.9H2O     = 1.000UO2+2     - 2.000H+     + 1.900H2O
-     log_k     5.000     
-     delta_h  -55.777    #kJ/mol        
-     # Enthalpy of formation:           -1506.3        #kJ/mol        #92GRE/FUG
-     -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0
+Schwertmannite(cr)
+Fe8O8(OH)6SO4 = 8 Fe+3 - 22 H+ + SO4-2 + 14 H2O
+      log_k 8.72
+      -analytic 87.2E-1 00E+0 00E+0 00E+0 00E+0
 
 Scolecite
-CaAl2Si3O10:3H2O     = 1.000Ca+2     + 2.000Al+3     - 8.000H+     + 3.000H4(SiO4)     + 1.000H2O
-     log_k    16.650     
-     delta_h -240.212    #kJ/mol        
-     # Enthalpy of formation:           -6049        #kJ/mol        #83JOH/FLO
-     -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0
+CaAl2Si3O10:3H2O = Ca+2 + 2 Al+3 - 8 H+ + 3 H4(SiO4) + H2O
+      log_k 16.63
+      delta_h -240.212 #kJ/mol
+#     Enthalpy of formation: -6049.000 kJ/mol  83JOH/FLO
+      -analytic -25.45334E+0 00E+0 12.54715E+3 00E+0 00E+0
+      -Vm 172.3
 
 Se(s)
-Se     = 1.000H+     + 1.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -50.610     
-     delta_h  294.063    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0
+Se = - H+ - 2 e- + HSe-
+      log_k -7.62
+      delta_h 14.3 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic -51.14748E-1 00E+0 -74.6941E+1 00E+0 00E+0
 
 Se3U(cr)
-Se3U     = 1.000UO2+2     + 1.000H+     + 3.000HSe-     - 2.000H2O
-     log_k   -18.270     
-     delta_h  47.560     #kJ/mol        
-     # Enthalpy of formation:           -452        #kJ/mol        #92GRE/FUG
-     -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0
+Se3U = UO2+2 + H+ + 3 HSe- - 2 H2O
+      log_k -18.27
+      delta_h 47.56 #kJ/mol
+#     Enthalpy of formation: -452.000  kJ/mol  92GRE/FUG
+      -analytic -99.37846E-1 00E+0 -24.84232E+2 00E+0 00E+0
 
 SeO3(cr)
-SeO3     = 2.000H+     + 1.000SeO4-2     - 1.000H2O
-     log_k    20.360     
-     delta_h -154.570    #kJ/mol        
-     # Enthalpy of formation:           -163.1        #kJ/mol        #05OLI/NOL
-     -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0
+SeO3 = 2 H+ + SeO4-2 - H2O
+      log_k 20.36
+      delta_h -154.57 #kJ/mol
+#     Enthalpy of formation: -163.100  kJ/mol  05OLI/NOL
+      -analytic -67.19502E-1 00E+0 80.73753E+2 00E+0 00E+0
 
 SeU(cr)
-SeU     = 1.000U+4     - 3.000H+     + 1.000HSe-     + 1.000H2O     - 0.500O2
-     log_k    80.330     
-     delta_h -584.663    #kJ/mol        
-     # Enthalpy of formation:           -272        #kJ/mol        #05OLI/NOL
-     -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0
+SeU = U+4 - H+ + 2 e- + HSe-
+      log_k 37.34
+      delta_h -304.9 #kJ/mol
+#     Enthalpy of formation: -272.000  kJ/mol  05OLI/NOL
+      -analytic -16.07619E+0 00E+0 15.92604E+3 00E+0 00E+0
 
 Si(cr)
-Si     = 1.000H4(SiO4)     - 2.000H2O     - 1.000O2
-     log_k   149.170     
-     delta_h -877.400    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0
-
-SiO2(am)
-SiO2     = 1.000H4(SiO4)     - 2.000H2O
-     log_k    -2.710     #00GUN/ARN
-     delta_h  13.522     #kJ/mol        
-     # Enthalpy of formation:           -903.056        #kJ/mol        
-     -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0
+Si = 4 H+ + 4 e- + H4(SiO4) - 4 H2O
+      log_k 63.19
+      delta_h -317.874 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 75.00866E-1 00E+0 16.60372E+3 00E+0 00E+0
 
 Siderite
-Fe(CO3)     = 1.000Fe+2     + 1.000CO3-2
-     log_k   -10.800     #92BRU/WER
-     delta_h  -12.012    #kJ/mol        
-     # Enthalpy of formation:           -753.218        #kJ/mol        
-     -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0
+Fe(CO3) = Fe+2 + CO3-2
+      log_k -10.68
+      delta_h -12.916 #kJ/mol
+#     Enthalpy of formation: -752.609  kJ/mol  13LEM/BER
+      -analytic -12.94279E+0 00E+0 67.46497E+1 00E+0 00E+0
+      -Vm 29.38
 
 Siderophyllite
-KFe2Al3Si2O10(OH)2     = 1.000K+     + 2.000Fe+2     + 3.000Al+3     - 14.000H+     + 2.000H4(SiO4)     + 4.000H2O
-     log_k    40.570     
-     delta_h -484.778    #kJ/mol        
-     # Enthalpy of formation:           -5628.27        #kJ/mol        #90HOL/POW
-     -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0
+KFe2Al3Si2O10(OH)2 = K+ + 2 Fe+2 + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O
+      log_k 40.6
+      delta_h -485.368 #kJ/mol
+#     Enthalpy of formation: -5628.270 kJ/mol  90HOL/POW
+      -analytic -44.43282E+0 00E+0 25.35254E+3 00E+0 00E+0
+      -Vm 150.63
 
-Sm(OH)3(am)
-Sm(OH)3     = 1.000Sm+3     - 3.000H+     + 3.000H2O
-     log_k    17.850     #98DIA/RAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
-
-Sm(OH)3(s)
-Sm(OH)3     = 1.000Sm+3     - 3.000H+     + 3.000H2O
-     log_k    16.130     #98DIA/RAG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
+SiO2(am)
+SiO2 = H4(SiO4) - 2 H2O
+      log_k -2.71 #00GUN/ARN
+      delta_h 13.522 #kJ/mol
+#     Enthalpy of formation: -903.057  kJ/mol
+      -analytic -34.10473E-2 00E+0 -70.63033E+1 00E+0 00E+0
+      -Vm 29
 
 Sm(cr)
-Sm     = 1.000Sm+3     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   181.105     
-     delta_h -1110.844   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #79ROB/HEM
-     -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0
+Sm = Sm+3 + 3 e-
+      log_k 116.62
+      delta_h -691.198 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  79ROB/HEM
+      -analytic -44.72692E-1 00E+0 36.10379E+3 00E+0 00E+0
+
+Sm(OH)3(am)
+Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O
+      log_k 17.85 #98DIA/RAG
+      -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0
+
+Sm(OH)3(s)
+Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O
+      log_k 16.13 #98DIA/RAG
+      -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0
 
 Sm2(CO3)3(s)
-Sm2(CO3)3     = 2.000Sm+3     + 3.000CO3-2
-     log_k   -34.500     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0
+Sm2(CO3)3 = 2 Sm+3 + 3 CO3-2
+      log_k -34.5 #95SPA/BRU
+      -analytic -34.5E+0 00E+0 00E+0 00E+0 00E+0
 
 Sm2(SO4)3(s)
-Sm2(SO4)3     = 2.000Sm+3     + 3.000SO4-2
-     log_k    -9.800     #95SPA/BRU
-     delta_h -211.318    #kJ/mol        
-     # Enthalpy of formation:           -3899.1        #kJ/mol        #82WAG/EVA
-     -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0
+Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2
+      log_k -9.8 #95SPA/BRU
+      delta_h -211.316 #kJ/mol
+#     Enthalpy of formation: -3899.100 kJ/mol  82WAG/EVA
+      -analytic -46.82097E+0 00E+0 11.0378E+3 00E+0 00E+0
 
 Sm2O3(s)
-Sm2O3     = 2.000Sm+3     - 6.000H+     + 3.000H2O
-     log_k    43.110     
-     delta_h -355.039    #kJ/mol        
-     # Enthalpy of formation:           -1884.849        #kJ/mol        
-     -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0
+Sm2O3 = 2 Sm+3 - 6 H+ + 3 H2O
+      log_k 43.11
+      delta_h -355.036 #kJ/mol
+#     Enthalpy of formation: -1884.849 kJ/mol
+      -analytic -19.08964E+0 00E+0 18.54482E+3 00E+0 00E+0
 
 SmCl3:6H2O(s)
-SmCl3:6H2O     = 1.000Sm+3     + 3.000Cl-     + 6.000H2O
-     log_k     4.800     #96FAL/REA
-     delta_h  -38.311    #kJ/mol        
-     # Enthalpy of formation:           -2869.108        #kJ/mol        
-     -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0
+SmCl3:6H2O = Sm+3 + 3 Cl- + 6 H2O
+      log_k 4.8 #96FAL/REA
+      delta_h -38.319 #kJ/mol
+#     Enthalpy of formation: -2869.096 kJ/mol
+      -analytic -19.13201E-1 00E+0 20.01541E+2 00E+0 00E+0
 
-SmF3:0.5H2O(s)
-SmF3:0.5H2O     = 1.000Sm+3     + 3.000F-     + 0.500H2O
-     log_k   -17.500     #95SPA/BRU
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0
+SmCO3OH(cr)
+SmOHCO3 = Sm+3 - H+ + CO3-2 + H2O
+      log_k -10.23
+      delta_h -38.858 #kJ/mol
+#     Enthalpy of formation: -1613.400 kJ/mol  05ROR/FUG
+      -analytic -17.03763E+0 00E+0 20.29695E+2 00E+0 00E+0
 
-SmOHCO3(cr)
-SmOHCO3     = 1.000Sm+3     - 1.000H+     + 1.000CO3-2     + 1.000H2O
-     log_k   -10.230     
-     delta_h  -38.859    #kJ/mol        
-     # Enthalpy of formation:           -1613.4        #kJ/mol        #05ROR/FUG
-     -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0
+SmCO3OH:0.5H2O(s)
+SmOHCO3:0.5H2O = Sm+3 - H+ + CO3-2 + 1.5 H2O
+      log_k -7.31
+      delta_h -51.073 #kJ/mol
+#     Enthalpy of formation: -1744.100 kJ/mol  05ROR/FUG
+      -analytic -16.25761E+0 00E+0 26.67729E+2 00E+0 00E+0
 
-SmOHCO3:0.5H2O(cr)
-SmOHCO3:0.5H2O     = 1.000Sm+3     - 1.000H+     + 1.000CO3-2     + 1.500H2O
-     log_k    -7.310     
-     delta_h  -51.074    #kJ/mol        
-     # Enthalpy of formation:           -1744.1        #kJ/mol        #05ROR/FUG
-     -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0
-
-SmPO4:H2O(am)
-SmPO4:H2O     = 1.000Sm+3     - 2.000H+     + 1.000H2(PO4)-     + 1.000H2O
-     log_k    -5.000     #05CET/WOO
-     delta_h  -26.480    #kJ/mol        
-     # Enthalpy of formation:           -2253.149        #kJ/mol        #05CET/WOO
-     -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0
-
-SmPO4:H2O(cr)
-SmPO4:H2O     = 1.000Sm+3     - 2.000H+     + 1.000H2(PO4)-     + 1.000H2O
-     log_k    -6.670     #97LIU/BYR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0
-
-SmectiteMX80
-Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2     = 0.009Ca+2     + 0.214Mg+2     + 0.024K+     + 0.409Na+     + 0.173Fe+3     + 1.860Al+3     + 3.738H4(SiO4)     + 0.035Fe+2     - 2.952H2O     - 7.048H+
-     log_k     5.270     
-     delta_h -184.029    #kJ/mol        
-     # Enthalpy of formation:           -5656.37        #kJ/mol        #12GAI/BLA
-     -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0
+Smectite MX80
+Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) - 2.952 H2O
+      log_k 5.26
+      delta_h -184.222 #kJ/mol
+#     Enthalpy of formation: -5656.370 kJ/mol  12GAI/BLA
+      -analytic -27.01431E+0 00E+0 96.22585E+2 00E+0 00E+0
+      -Vm 134.92
 
 Smectite_MX80(3.989H2O)
-(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O     = 0.009Ca+2     + 0.214Mg+2     + 0.024K+     + 0.409Na+     + 0.173Fe+3     + 0.035Fe+2     + 1.860Al+3     - 7.048H+     + 3.738H4(SiO4)     + 1.037H2O
-     log_k     1.780     
-     delta_h -157.245    #kJ/mol        
-     # Enthalpy of formation:           -6823.33        #kJ/mol        #12GAI/BLA
-     -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0
+(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 1.037 H2O
+      log_k 1.75
+      delta_h -157.438 #kJ/mol
+#     Enthalpy of formation: -6823.330 kJ/mol  12GAI/BLA
+      -analytic -25.83195E+0 00E+0 82.23559E+2 00E+0 00E+0
+      -Vm 207
 
 Smectite_MX80(5.189H2O)
-(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O     = 0.009Ca+2     + 0.214Mg+2     + 0.024K+     + 0.409Na+     + 0.173Fe+3     + 0.035Fe+2     + 1.860Al+3     - 7.048H+     + 3.738H4(SiO4)     + 2.237H2O
-     log_k     1.440     
-     delta_h -149.152    #kJ/mol        
-     # Enthalpy of formation:           -7174.42        #kJ/mol        #12GAI/BLA
-     -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0
+(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 2.237 H2O
+      log_k 1.41
+      delta_h -149.344 #kJ/mol
+#     Enthalpy of formation: -7174.420 kJ/mol  12GAI/BLA
+      -analytic -24.75395E+0 00E+0 78.0078E+2 00E+0 00E+0
+      -Vm 228.69
+
+SmF3:0.5H2O(s)
+SmF3:0.5H2O = Sm+3 + 3 F- + 0.5 H2O
+      log_k -17.5 #95SPA/BRU
+      -analytic -17.5E+0 00E+0 00E+0 00E+0 00E+0
+
+SmPO4:H2O(am)
+SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O
+      log_k -5 #05CET/WOO
+      delta_h -26.479 #kJ/mol
+#     Enthalpy of formation: -2253.149 kJ/mol  05CET/WOO
+      -analytic -96.38922E-1 00E+0 13.83094E+2 00E+0 00E+0
+
+SmPO4:H2O(cr)
+SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O
+      log_k -6.67 #97LIU/BYR
+      -analytic -66.7E-1 00E+0 00E+0 00E+0 00E+0
+
+Sn(cr,alfa)
+Sn = Sn+2 + 2 e-
+      log_k 4.82
+      delta_h -7.637 #kJ/mol
+#     Enthalpy of formation: -1.980    kJ/mol  12GAM/GAJ
+      -analytic 34.82055E-1 00E+0 39.89083E+1 00E+0 00E+0
+
+Sn(cr,beta)
+Sn = Sn+2 + 2 e-
+      log_k 4.8
+      delta_h -9.617 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 31.15174E-1 00E+0 50.23309E+1 00E+0 00E+0
 
 Sn(OH)4(s)
-Sn(OH)4     = 1.000Sn+4     - 4.000H+     + 4.000H2O
-     log_k    -1.280     #70BAR/KLI in 01SEB/POT
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0
+Sn(OH)4 = Sn+4 - 4 H+ + 4 H2O
+      log_k -1.28 #70BAR/KLI in 01SEB/POT; Uncertainty to cover available data.
+      -analytic -12.8E-1 00E+0 00E+0 00E+0 00E+0
 
 Sn(OH)Cl(s)
-Sn(OH)Cl     = 1.000Sn+2     - 1.000H+     + 1.000Cl-     + 1.000H2O
-     log_k    -2.420     #30RAN/MUR recalculated in 99LOT/OCH
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0
-
-Sn(cr)(alfa)
-Sn     = 1.000Sn+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    47.810     
-     delta_h -287.400    #kJ/mol        
-     # Enthalpy of formation:           -1.98        #kJ/mol        #12GAM/GAJ
-     -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0
-
-Sn(cr)(beta)
-Sn     = 1.000Sn+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    47.790     
-     delta_h -289.380    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0
+Sn(OH)Cl = Sn+2 - H+ + Cl- + H2O
+      log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH
+      -analytic -24.2E-1 00E+0 00E+0 00E+0 00E+0
 
 SnO2(am)
-SnO2     = 1.000Sn+4     - 4.000H+     + 2.000H2O
-     log_k   -14.770     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0
+SnO2 = Sn+4 - 4 H+ + 2 H2O
+      log_k -14.77
+      -analytic -14.77E+0 00E+0 00E+0 00E+0 00E+0
 
 SnSe(alfa)
-SnSe     = 1.000Sn+2     - 1.000H+     + 1.000HSe-
-     log_k   -21.670     
-     delta_h  114.183    #kJ/mol        
-     # Enthalpy of formation:           -109.5        #kJ/mol        #05OLI/NOL
-     -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0
+SnSe = Sn+2 - H+ + HSe-
+      log_k -21.67
+      delta_h 114.183 #kJ/mol
+#     Enthalpy of formation: -109.500  kJ/mol  05OLI/NOL
+      -analytic -16.65997E-1 00E+0 -59.64193E+2 00E+0 00E+0
 
 SnSe2(s)
-SnSe2     = 1.000Sn+2     + 2.000HSe-     - 1.000H2O     + 0.500O2
-     log_k   -73.780     
-     delta_h  413.646    #kJ/mol        
-     # Enthalpy of formation:           -114.9        #kJ/mol        #05OLI/NOL
-     -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0
+SnSe2 = Sn+2 - 2 H+ - 2 e- + 2 HSe-
+      log_k -30.79
+      delta_h 133.883 #kJ/mol
+#     Enthalpy of formation: -114.900  kJ/mol  05OLI/NOL
+      -analytic -73.34705E-1 00E+0 -69.93196E+2 00E+0 00E+0
 
-Soddyite(synt1)
-(UO2)2SiO4:2H2O     = 2.000UO2+2     - 4.000H+     + 1.000H4(SiO4)     + 2.000H2O
-     log_k     3.900     #97PER/CAS
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
-
-Soddyite(synt2)
-(UO2)2SiO4:2H2O     = 2.000UO2+2     - 4.000H+     + 1.000H4(SiO4)     + 2.000H2O
-     log_k     6.430     #07GOR/MAZ
-     delta_h  -25.454    #kJ/mol        
-     # Enthalpy of formation:           -4045.4        #kJ/mol        #07GOR/MAZ
-     -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0
+Soddyite
+(UO2)2SiO4:2H2O = 2 UO2+2 - 4 H+ + H4(SiO4) + 2 H2O
+      log_k 5.75 #20GRE/GAO
+      -analytic 57.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Sodium-compreignacite
-Na2(UO2)6O4(OH)6:7H2O     = 2.000Na+     + 6.000UO2+2     - 14.000H+     + 17.000H2O
-     log_k    39.400     #08GOR/FEI
-     delta_h -517.390    #kJ/mol        
-     # Enthalpy of formation:           -10936.4        #kJ/mol        #06KUB/HEL
-     -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0
+Na2(UO2)6O4(OH)6:7H2O = 2 Na+ + 6 UO2+2 - 14 H+ + 17 H2O
+      log_k 39.4 #08GOR/FEI
+      delta_h -517.39 #kJ/mol
+#     Enthalpy of formation: -10936.400kJ/mol  06KUB/HEL
+      -analytic -51.24284E+0 00E+0 27.02516E+3 00E+0 00E+0
 
 Sphaerocobaltite
-CoCO3     = 1.000Co+2     + 1.000CO3-2
-     log_k   -11.200     #99GRA2
-     delta_h  -9.421     #kJ/mol        
-     # Enthalpy of formation:           -723.409        #kJ/mol        
-     -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0
-
-Sr(HPO4)(s)
-Sr(HPO4)     = 1.000Sr+2     - 1.000H+     + 1.000H2(PO4)-
-     log_k     0.280     #97MAR/SMI
-     delta_h  -19.487    #kJ/mol        
-     # Enthalpy of formation:           -1834.012        #kJ/mol        
-     -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0
-
-Sr(NO3)2(cr)
-Sr(NO3)2     = 1.000Sr+2     + 2.000NO3-
-     log_k     0.400     
-     delta_h  17.760     #kJ/mol        
-     # Enthalpy of formation:           -982.36        #kJ/mol        #92GRE/FUG
-     -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0
-
-Sr(NO3)2:2H2O(s)
-Sr(NO3)2:2H2O     = 1.000Sr+2     + 2.000NO3-     + 2.000H2O
-     log_k     0.050     #25/08/1994
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 5E-2 0E+0 0E+0 0E+0 0E+0
-
-Sr(NO3)2:4H2O(s)
-Sr(NO3)2:4H2O     = 1.000Sr+2     + 2.000NO3-     + 4.000H2O
-     log_k    -0.870     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0
-
-Sr(OH)2(s)
-Sr(OH)2     = 1.000Sr+2     - 2.000H+     + 2.000H2O
-     log_k    27.510     
-     delta_h -153.670    #kJ/mol        
-     # Enthalpy of formation:           -968.89        #kJ/mol        #98CHA
-     -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0
-
-Sr(OH)2:8H2O(s)
-Sr(OH)2:8H2O     = 1.000Sr+2     - 2.000H+     + 10.000H2O
-     log_k    24.320     #98FEL/DIX
-     delta_h  -57.000    #kJ/mol        
-     # Enthalpy of formation:           -3352.2        #kJ/mol        #82WAG/EVA
-     -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0
-
-Sr(SeO3)(cr)
-Sr(SeO3)     = 1.000Sr+2     + 1.000SeO3-2
-     log_k    -6.300     #05OLI/NOL
-     delta_h  -6.160     #kJ/mol        
-     # Enthalpy of formation:           -1051.9        #kJ/mol        #05OLI/NOL
-     -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0
-
-Sr(SeO4)(s)
-Sr(SeO4)     = 1.000Sr+2     + 1.000SeO4-2
-     log_k    -4.350     #Original source 59SEL/ZUB recalculated in 05OLI/NOL
-     delta_h  -21.841    #kJ/mol        
-     # Enthalpy of formation:           -1132.559        #kJ/mol        
-     -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0
+CoCO3 = Co+2 + CO3-2
+      log_k -11.2 #99GRA2
+      delta_h -9.421 #kJ/mol
+#     Enthalpy of formation: -723.409  kJ/mol
+      -analytic -12.85049E+0 00E+0 49.20931E+1 00E+0 00E+0
 
 Sr(cr)
-Sr     = 1.000Sr+2     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k   141.780     
-     delta_h -830.663    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0
+Sr = Sr+2 + 2 e-
+      log_k 98.79
+      delta_h -550.9 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  98CHA
+      -analytic 22.76463E-1 00E+0 28.77551E+3 00E+0 00E+0
+
+Sr(HPO4)(s)
+Sr(HPO4) = Sr+2 - H+ + H2(PO4)-
+      log_k 0.28 #97MAR/SMI
+      delta_h -19.487 #kJ/mol
+#     Enthalpy of formation: -1834.013 kJ/mol
+      -analytic -31.33976E-1 00E+0 10.17877E+2 00E+0 00E+0
+
+Sr(NO3)2(cr)
+Sr(NO3)2 = Sr+2 + 2 NO3-
+      log_k 0.4
+      delta_h 17.76 #kJ/mol
+#     Enthalpy of formation: -982.360  kJ/mol  92GRE/FUG
+      -analytic 35.11418E-1 00E+0 -92.76694E+1 00E+0 00E+0
+
+Sr(NO3)2:2H2O(s)
+Sr(NO3)2:2H2O = Sr+2 + 2 NO3- + 2 H2O
+      log_k 0.05 #25/08/1994
+      -analytic 50E-3 00E+0 00E+0 00E+0 00E+0
+
+Sr(NO3)2:4H2O(s)
+Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O
+      log_k -0.87 #96FAL/REA
+      -analytic -87E-2 00E+0 00E+0 00E+0 00E+0
+
+Sr(OH)2(s)
+Sr(OH)2 = Sr+2 - 2 H+ + 2 H2O
+      log_k 27.51
+      delta_h -153.67 #kJ/mol
+#     Enthalpy of formation: -968.890  kJ/mol  98CHA
+      -analytic 58.81716E-2 00E+0 80.26743E+2 00E+0 00E+0
+
+Sr(OH)2:8H2O(s)
+Sr(OH)2:8H2O = Sr+2 - 2 H+ + 10 H2O
+      log_k 24.32 #98FEL/DIX
+      delta_h -57 #kJ/mol
+#     Enthalpy of formation: -3352.200 kJ/mol  82WAG/EVA
+      -analytic 14.33403E+0 00E+0 29.77317E+2 00E+0 00E+0
+
+Sr(SeO3)(cr)
+Sr(SeO3) = Sr+2 + SeO3-2
+      log_k -6.3 #05OLI/NOL
+      delta_h -6.16 #kJ/mol
+#     Enthalpy of formation: -1051.900 kJ/mol  05OLI/NOL
+      -analytic -73.79186E-1 00E+0 32.17592E+1 00E+0 00E+0
+
+Sr(SeO4)(s)
+Sr(SeO4) = Sr+2 + SeO4-2
+      log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL
+      delta_h -21.841 #kJ/mol
+#     Enthalpy of formation: -1132.559 kJ/mol
+      -analytic -81.76379E-1 00E+0 11.40835E+2 00E+0 00E+0
 
 Sr2SiO4(s)
-Sr2SiO4     = 2.000Sr+2     - 4.000H+     + 1.000H4(SiO4)
-     log_k    43.250     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0
+Sr2SiO4 = 2 Sr+2 - 4 H+ + H4(SiO4)
+      log_k 43.25
+      -analytic 43.25E+0 00E+0 00E+0 00E+0 00E+0
 
 Sr3(AsO4)2(s)
-Sr3(AsO4)2     = 3.000Sr+2     + 2.000AsO4-3
-     log_k   -16.080     
-     delta_h -109.493    #kJ/mol        
-     # Enthalpy of formation:           -3319.487        #kJ/mol        
-     -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0
+Sr3(AsO4)2 = 3 Sr+2 + 2 AsO4-3
+      log_k -16.08
+      delta_h -109.504 #kJ/mol
+#     Enthalpy of formation: -3319.478 kJ/mol
+      -analytic -35.26428E+0 00E+0 57.19792E+2 00E+0 00E+0
 
 Sr3(PO4)2(s)
-Sr3(PO4)2     = 3.000Sr+2     - 4.000H+     + 2.000H2(PO4)-
-     log_k    10.530     #06BLA/IGN
-     delta_h -147.900    #kJ/mol        
-     # Enthalpy of formation:           -4110        #kJ/mol        #97KHA/JEM
-     -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0
+Sr3(PO4)2 = 3 Sr+2 - 4 H+ + 2 H2(PO4)-
+      log_k 10.53 #06BLA/IGN
+      delta_h -147.9 #kJ/mol
+#     Enthalpy of formation: -4110.000 kJ/mol  97KHA/JEM
+      -analytic -15.38097E+0 00E+0 77.25355E+2 00E+0 00E+0
 
 Sr5(PO4)3(OH)(s)
-Sr5(PO4)3(OH)     = 5.000Sr+2     - 7.000H+     + 3.000H2(PO4)-     + 1.000H2O
-     log_k     7.170     #05KIM/PAR
-     delta_h -261.630    #kJ/mol        
-     # Enthalpy of formation:           -6686.5        #kJ/mol        #95JEM/CHE
-     -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0
+Sr5(PO4)3(OH) = 5 Sr+2 - 7 H+ + 3 H2(PO4)- + H2O
+      log_k 7.17 #05KIM/PAR
+      delta_h -261.63 #kJ/mol
+#     Enthalpy of formation: -6686.500 kJ/mol  95JEM/CHE
+      -analytic -38.66561E+0 00E+0 13.66589E+3 00E+0 00E+0
 
 SrBr2(s)
-SrBr2     = 1.000Sr+2     + 2.000Br-
-     log_k    12.500     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
+SrBr2 = Sr+2 + 2 Br-
+      log_k 12.5 #96FAL/REA
+      -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0
 
 SrBr2:6H2O(s)
-SrBr2:6H2O     = 1.000Sr+2     + 2.000Br-     + 6.000H2O
-     log_k     2.820     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0
+SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O
+      log_k 2.82 #96FAL/REA
+      -analytic 28.2E-1 00E+0 00E+0 00E+0 00E+0
 
 SrBr2:H2O(s)
-SrBr2:H2O     = 1.000Sr+2     + 2.000Br-     + 1.000H2O
-     log_k     8.800     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
+SrBr2:H2O = Sr+2 + 2 Br- + H2O
+      log_k 8.8 #96FAL/REA
+      -analytic 88E-1 00E+0 00E+0 00E+0 00E+0
 
 SrCl2(s)
-SrCl2     = 1.000Sr+2     + 2.000Cl-
-     log_k     8.120     
-     delta_h  -56.210    #kJ/mol        
-     # Enthalpy of formation:           -828.85        #kJ/mol        #98CHA
-     -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0
+SrCl2 = Sr+2 + 2 Cl-
+      log_k 8.12
+      delta_h -56.21 #kJ/mol
+#     Enthalpy of formation: -828.850  kJ/mol  98CHA
+      -analytic -17.27569E-1 00E+0 29.36053E+2 00E+0 00E+0
 
 SrCl2:2H2O(s)
-SrCl2:2H2O     = 1.000Sr+2     + 2.000Cl-     + 2.000H2O
-     log_k     3.470     
-     delta_h  -18.720    #kJ/mol        
-     # Enthalpy of formation:           -1438        #kJ/mol        #82WAG/EVA
-     -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0
+SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O
+      log_k 3.47
+      delta_h -18.72 #kJ/mol
+#     Enthalpy of formation: -1438.000 kJ/mol  82WAG/EVA
+      -analytic 19.03968E-2 00E+0 97.78137E+1 00E+0 00E+0
 
 SrCl2:6H2O(s)
-SrCl2:6H2O     = 1.000Sr+2     + 2.000Cl-     + 6.000H2O
-     log_k     1.610     
-     delta_h  23.760     #kJ/mol        
-     # Enthalpy of formation:           -2623.8        #kJ/mol        #82WAG/EVA
-     -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0
+SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O
+      log_k 1.61
+      delta_h 23.76 #kJ/mol
+#     Enthalpy of formation: -2623.800 kJ/mol  82WAG/EVA
+      -analytic 57.72573E-1 00E+0 -12.41071E+2 00E+0 00E+0
 
 SrCl2:H2O(s)
-SrCl2:H2O     = 1.000Sr+2     + 2.000Cl-     + 1.000H2O
-     log_k     4.910     
-     delta_h  -34.090    #kJ/mol        
-     # Enthalpy of formation:           -1136.8        #kJ/mol        #82WAG/EVA
-     -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0
+SrCl2:H2O = Sr+2 + 2 Cl- + H2O
+      log_k 4.91
+      delta_h -34.09 #kJ/mol
+#     Enthalpy of formation: -1136.800 kJ/mol  82WAG/EVA
+      -analytic -10.62312E-1 00E+0 17.80645E+2 00E+0 00E+0
 
 SrCrO4(s)
-SrCrO4     = 1.000Sr+2     + 1.000CrO4-2
-     log_k    -4.650     #97MAR/SMI
-     delta_h  -10.125    #kJ/mol        #97MAR/SMI
-     # Enthalpy of formation:           -1419.775        #kJ/mol        
-     -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0
+SrCrO4 = Sr+2 + CrO4-2
+      log_k -4.65 #97MAR/SMI
+      delta_h -10.125 #kJ/mol 97MAR/SMI
+#     Enthalpy of formation: -1419.775 kJ/mol
+      -analytic -64.23824E-1 00E+0 52.88656E+1 00E+0 00E+0
 
 SrF2(cr)
-SrF2     = 1.000Sr+2     + 2.000F-
-     log_k    -8.540     #96FAL/REA
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0
+SrF2 = Sr+2 + 2 F-
+      log_k -8.54 #96FAL/REA
+      -analytic -85.4E-1 00E+0 00E+0 00E+0 00E+0
 
 SrMoO4(s)
-SrMoO4     = 1.000Sr+2     + 1.000MoO4-2
-     log_k    -6.590     #54RAO in 74OHA/KEN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0
+SrMoO4 = Sr+2 + MoO4-2
+      log_k -6.59 #54RAO in 74OHA/KEN
+      -analytic -65.9E-1 00E+0 00E+0 00E+0 00E+0
 
 SrO(cr)
-SrO     = 1.000Sr+2     - 2.000H+     + 1.000H2O
-     log_k    41.980     
-     delta_h -244.690    #kJ/mol        
-     # Enthalpy of formation:           -592.04        #kJ/mol        #98CHA
-     -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0
+SrO = Sr+2 - 2 H+ + H2O
+      log_k 41.98
+      delta_h -244.69 #kJ/mol
+#     Enthalpy of formation: -592.040  kJ/mol  98CHA
+      -analytic -88.78479E-2 00E+0 12.78105E+3 00E+0 00E+0
 
 SrS(s)
-SrS     = 1.000Sr+2     - 1.000H+     + 1.000HS-
-     log_k    14.680     # 
-     delta_h  -93.570    #kJ/mol        
-     # Enthalpy of formation:           -473.63        #kJ/mol        #82WAG/EVA
-     -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0
+SrS = Sr+2 - H+ + HS-
+      log_k 14.68
+      delta_h -93.57 #kJ/mol
+#     Enthalpy of formation: -473.630  kJ/mol  82WAG/EVA
+      -analytic -17.1276E-1 00E+0 48.87501E+2 00E+0 00E+0
 
 SrSiO3(s)
-SrSiO3     = 1.000Sr+2     - 2.000H+     + 1.000H4(SiO4)     - 1.000H2O
-     log_k    13.160     
-     delta_h  -80.278    #kJ/mol        
-     # Enthalpy of formation:           -1645.986        #kJ/mol        #74NAU/RYZ
-     -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0
+SrSiO3 = Sr+2 - 2 H+ + H4(SiO4) - H2O
+      log_k 13.16
+      delta_h -80.278 #kJ/mol
+#     Enthalpy of formation: -1645.986 kJ/mol  74NAU/RYZ
+      -analytic -90.41019E-2 00E+0 41.93212E+2 00E+0 00E+0
 
 SrZrSi2O7(cr)
-SrZrSi2O7     = 1.000Sr+2     - 6.000H+     + 2.000H4(SiO4)     + 1.000Zr+4     - 1.000H2O
-     log_k     5.200     
-     delta_h -155.158    #kJ/mol        
-     # Enthalpy of formation:           -3640.8        #kJ/mol        #05BRO/CUR
-     -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0
+SrZrSi2O7 = Sr+2 - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O
+      log_k 5.2
+      delta_h -155.158 #kJ/mol
+#     Enthalpy of formation: -3640.800 kJ/mol  05BRO/CUR
+      -analytic -21.98251E+0 00E+0 81.04467E+2 00E+0 00E+0
 
 Stellerite
-Ca2Al4Si14O36:14H2O     = 2.000Ca+2     + 4.000Al+3     - 16.000H+     + 14.000H4(SiO4)     - 6.000H2O
-     log_k     6.990     
-     delta_h -325.096    #kJ/mol        
-     # Enthalpy of formation:           -21656.24        #kJ/mol        #01FRI/NEU
-     -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0
+Ca2Al4Si14O36:14H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 14 H4(SiO4) - 6 H2O
+      log_k 6.92
+      delta_h -325.096 #kJ/mol
+#     Enthalpy of formation: -21656.240kJ/mol  01FRI/NEU
+      -analytic -50.03437E+0 00E+0 16.98095E+3 00E+0 00E+0
+      -Vm 666.5
 
 Stibnite
-Sb2S3     = 3.000H+     + 3.000HS-     + 2.000Sb(OH)3     - 6.000H2O
-     log_k   -56.030     
-     delta_h  269.695    #kJ/mol        
-     # Enthalpy of formation:           -151.4        #kJ/mol        #95ROB/HEM
-     -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0
+Sb2S3 = 3 H+ + 3 HS- + 2 Sb(OH)3 - 6 H2O
+      log_k -56.03
+      delta_h 269.694 #kJ/mol
+#     Enthalpy of formation: -151.400  kJ/mol  95ROB/HEM
+      -analytic -87.81639E-1 00E+0 -14.0871E+3 00E+0 00E+0
 
 Stilbite
-NaCa2(Al5Si13)O36:16H2O     = 2.000Ca+2     + 1.000Na+     + 5.000Al+3     - 20.000H+     + 13.000H4(SiO4)
-     log_k    23.050     
-     delta_h -434.152    #kJ/mol        
-     # Enthalpy of formation:           -22579.71        #kJ/mol        #01FRI/NEU
-     -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0
+NaCa2(Al5Si13)O36:16H2O = 2 Ca+2 + Na+ + 5 Al+3 - 20 H+ + 13 H4(SiO4)
+      log_k 22.97
+      delta_h -434.152 #kJ/mol
+#     Enthalpy of formation: -22579.710kJ/mol  01FRI/NEU
+      -analytic -53.09017E+0 00E+0 22.67734E+3 00E+0 00E+0
+      -Vm 664.7
 
 Stilleite
-ZnSe     = 1.000Zn+2     - 1.000H+     + 1.000HSe-
-     log_k   -12.050     
-     delta_h  36.910     #kJ/mol        
-     # Enthalpy of formation:           -176        #kJ/mol        #05OLI/NOL
-     -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0
+ZnSe = Zn+2 - H+ + HSe-
+      log_k -12.05
+      delta_h 36.91 #kJ/mol
+#     Enthalpy of formation: -176.000  kJ/mol  05OLI/NOL
+      -analytic -55.83646E-1 00E+0 -19.27944E+2 00E+0 00E+0
 
 Stratlingite
-Ca2Al2SiO3(OH)8:4H2O     = 2.000Ca+2     + 2.000Al+3     - 10.000H+     + 1.000H4(SiO4)     + 11.000H2O
-     log_k    49.660     #10BLA/BOU2
-     delta_h -397.795    #kJ/mol        
-     # Enthalpy of formation:           -6370.329        #kJ/mol        
-     -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0
+Ca2Al2SiO3(OH)8:4H2O = 2 Ca+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 11 H2O
+      log_k 49.66 #10BLA/BOU2
+      delta_h -397.949 #kJ/mol
+#     Enthalpy of formation: -6370.171 kJ/mol
+      -analytic -20.05767E+0 00E+0 20.78632E+3 00E+0 00E+0
+      -Vm 215.63
 
 Strontianite
-Sr(CO3)      = 1.000Sr+2     + 1.000CO3-2
-     log_k    -9.270     #84BUS/PLU
-     delta_h  -0.366     #kJ/mol        
-     # Enthalpy of formation:           -1225.764        #kJ/mol        
-     -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0
+Sr(CO3) = Sr+2 + CO3-2
+      log_k -9.27 #84BUS/PLU
+      delta_h -0.366 #kJ/mol
+#     Enthalpy of formation: -1225.765 kJ/mol
+      -analytic -93.3412E-1 00E+0 19.11751E+0 00E+0 00E+0
 
 Sudoite
-Mg2Al4Si3O10(OH)8     = 2.000Mg+2     + 4.000Al+3     - 16.000H+     + 3.000H4(SiO4)     + 6.000H2O
-     log_k    37.960     
-     delta_h -530.892    #kJ/mol        
-     # Enthalpy of formation:           -8655.27        #kJ/mol        #05VID/PAR
-     -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0
+Mg2Al4Si3O10(OH)8 = 2 Mg+2 + 4 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O
+      log_k 37.93
+      delta_h -530.892 #kJ/mol
+#     Enthalpy of formation: -8655.270 kJ/mol  05VID/PAR
+      -analytic -55.07829E+0 00E+0 27.73042E+3 00E+0 00E+0
+      -Vm 205.1
 
 Sylvite
-KCl     = 1.000K+     + 1.000Cl-
-     log_k     0.870     
-     delta_h  17.460     #kJ/mol        
-     # Enthalpy of formation:           -436.68        #kJ/mol        #98CHA
-     -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0
+KCl = K+ + Cl-
+      log_k 0.87
+      delta_h 17.46 #kJ/mol
+#     Enthalpy of formation: -436.680  kJ/mol  98CHA
+      -analytic 39.28861E-1 00E+0 -91.19993E+1 00E+0 00E+0
+      -Vm 37.52
 
 Syngenite
-K2Ca(SO4)2:6H2O     = 1.000Ca+2     + 2.000K+     + 2.000SO4-2     + 6.000H2O
-     log_k    -7.450     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0
+K2Ca(SO4)2:6H2O = Ca+2 + 2 K+ + 2 SO4-2 + 6 H2O
+      log_k -7.45 #84HAR/MOL
+      -analytic -74.5E-1 00E+0 00E+0 00E+0 00E+0
 
 Tachyhydrite
-Mg2CaCl6:12H2O     = 1.000Ca+2     + 2.000Mg+2     + 6.000Cl-     + 12.000H2O
-     log_k    17.380     #84HAR/MOL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0
+Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O
+      log_k 17.38 #84HAR/MOL
+      -analytic 17.38E+0 00E+0 00E+0 00E+0 00E+0
 
 Talc
-Mg3Si4O10(OH)2     = 3.000Mg+2     - 6.000H+     + 4.000H4(SiO4)     - 4.000H2O
-     log_k    24.940     
-     delta_h -210.356    #kJ/mol        
-     # Enthalpy of formation:           -5892.1        #kJ/mol        #01KAH/MAR
-     -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0
+Mg3Si4O10(OH)2 = 3 Mg+2 - 6 H+ + 4 H4(SiO4) - 4 H2O
+      log_k 24.92
+      delta_h -210.356 #kJ/mol
+#     Enthalpy of formation: -5892.100 kJ/mol  01KAH/MAR
+      -analytic -11.93279E+0 00E+0 10.98766E+3 00E+0 00E+0
+      -Vm 136.2
 
 Tc(cr)
-Tc     = 1.000TcO(OH)2     - 1.000H2O     - 1.000O2
-     log_k    60.900     
-     delta_h -451.356    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #99RAR/RAN
-     -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0
+Tc = TcO(OH)2 + 4 H+ + 4 e- - 3 H2O
+      log_k -24.34
+      delta_h 108.247 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  99RAR/RAN
+      -analytic -53.7594E-1 00E+0 -56.54135E+2 00E+0 00E+0
 
-Tc2O7(s)
-Tc2O7     = 2.000H+     + 2.000TcO4-     - 1.000H2O
-     log_k    15.310     
-     delta_h  -46.470    #kJ/mol        
-     # Enthalpy of formation:           -1126.5        #kJ/mol        #99RAR/RAN
-     -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0
+Tc2O7(cr)
+Tc2O7 = 2 H+ + 2 TcO4- - H2O
+      log_k 15.31
+      delta_h -46.47 #kJ/mol
+#     Enthalpy of formation: -1126.500 kJ/mol  99RAR/RAN
+      -analytic 71.68805E-1 00E+0 24.27297E+2 00E+0 00E+0
 
 Tc2O7:H2O(s)
-Tc2O7:H2O     = 2.000H+     + 2.000TcO4-
-     log_k    14.100     
-     delta_h  -44.654    #kJ/mol        
-     # Enthalpy of formation:           -1414.146        #kJ/mol        #99RAR/RAN
-     -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0
+Tc2O7:H2O = 2 H+ + 2 TcO4-
+      log_k 14.11
+      delta_h -44.654 #kJ/mol
+#     Enthalpy of formation: -1414.146 kJ/mol  99RAR/RAN
+      -analytic 62.86955E-1 00E+0 23.32441E+2 00E+0 00E+0
+
+TcO2(aged)
+TcO2 = TcO(OH)2 - H2O
+      log_k -8.72 #20GRE/GAO
+      -analytic -87.2E-1 00E+0 00E+0 00E+0 00E+0
 
 TcO2(cr)
-TcO2     = 1.000TcO(OH)2     - 1.000H2O
-     log_k    -9.140     #97NGU/LAN
-     delta_h  -5.690     #kJ/mol        
-     # Enthalpy of formation:           -457.8        #kJ/mol        #99RAR/RAN
-     -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0
+TcO2 = TcO(OH)2 - H2O
+      log_k -9.15 #97NGU/LAN
+      delta_h -5.613 #kJ/mol
+#     Enthalpy of formation: -457.800  kJ/mol  20GRE/GAO
+      -analytic -10.13336E+0 00E+0 29.31874E+1 00E+0 00E+0
 
-TcO2:1.63H2O(s)
-TcO2:1.63H2O     = 1.000TcO(OH)2     + 0.630H2O
-     log_k    -8.400     #99RAR/RAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0
-
-Th(HPO4)2(s)
-Th(HPO4)2     = 1.000Th+4     - 2.000H+     + 2.000H2(PO4)-
-     log_k   -16.110     #Estimated from An(IV) correlations
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0
-
-Th(SO4)2:9H2O(cr)
-Th(SO4)2:9H2O     = 1.000Th+4     + 2.000SO4-2     + 9.000H2O
-     log_k   -11.250     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0
+TcO2(fresh)
+TcO2 = TcO(OH)2 - H2O
+      log_k -7.66 #20GRE/GAO
+      -analytic -76.6E-1 00E+0 00E+0 00E+0 00E+0
 
 Th(cr)
-Th     = 1.000Th+4     + 2.000H2O     - 4.000H+     - 1.000O2
-     log_k   209.450     
-     delta_h -1328.226   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #09RAN/FUG
-     -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0
+Th = Th+4 + 4 e-
+      log_k 123.47
+      delta_h -768.7 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  09RAN/FUG
+      -analytic -11.20046E+0 00E+0 40.152E+3 00E+0 00E+0
 
-ThF4(cr)
-ThF4     = 1.000Th+4     + 4.000F-
-     log_k   -19.110     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0
+Th(HPO4)2(s)
+Th(HPO4)2 = Th+4 - 2 H+ + 2 H2(PO4)-
+      log_k -16.11 #Estimated from An(IV) correlations
+      -analytic -16.11E+0 00E+0 00E+0 00E+0 00E+0
 
-ThO2(aged)
-ThO2     = 1.000Th+4     - 4.000H+     + 2.000H2O
-     log_k     8.500     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
+Th(SO4)2:9H2O(cr)
+Th(SO4)2:9H2O = Th+4 + 2 SO4-2 + 9 H2O
+      log_k -11.25 #09RAN/FUG
+      -analytic -11.25E+0 00E+0 00E+0 00E+0 00E+0
 
-ThO2(coll)
-ThO2     = 1.000Th+4     - 4.000H+     + 2.000H2O
-     log_k    11.100     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
-
-ThO2(cr)
-ThO2     = 1.000Th+4     - 4.000H+     + 2.000H2O
-     log_k     1.770     
-     delta_h -113.960    #kJ/mol        
-     # Enthalpy of formation:           -1226.4        #kJ/mol        #09RAN/FUG
-     -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0
-
-ThO2(fresh)
-ThO2     = 1.000Th+4     - 4.000H+     + 2.000H2O
-     log_k     9.300     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
-
-ThO2(mcr)
-ThO2     = 1.000Th+4     - 4.000H+     + 2.000H2O
-     log_k     3.000     #09RAN/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 3E+0 0E+0 0E+0 0E+0 0E+0
+Thenardite
+Na2SO4 = 2 Na+ + SO4-2
+      log_k -0.36
+      delta_h -2.2 #kJ/mol
+#     Enthalpy of formation: -1387.820 kJ/mol  98CHA
+      -analytic -74.54235E-2 00E+0 11.4914E+1 00E+0 00E+0
+      -Vm 53.33
 
 Thermonatrite
-Na2(CO3):H2O     = 2.000Na+     + 1.000CO3-2     + 1.000H2O
-     log_k     0.480     #84HAR/MOL
-     delta_h  -12.040    #kJ/mol        
-     # Enthalpy of formation:           -1429.7        #kJ/mol        #82VAN
-     -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0
+Na2(CO3):H2O = 2 Na+ + CO3-2 + H2O
+      log_k 0.48 #84HAR/MOL
+      delta_h -12.04 #kJ/mol
+#     Enthalpy of formation: -1429.700 kJ/mol  82VAN
+      -analytic -16.29317E-1 00E+0 62.8893E+1 00E+0 00E+0
 
-Thernardite
-Na2SO4     = 2.000Na+     + 1.000SO4-2
-     log_k    -0.360     
-     delta_h  -2.200     #kJ/mol        
-     # Enthalpy of formation:           -1387.82        #kJ/mol        #98CHA
-     -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0
+ThF4(cr)
+ThF4 = Th+4 + 4 F-
+      log_k -30.63
+      delta_h 74.611 #kJ/mol
+#     Enthalpy of formation: -2184.710 kJ/mol
+      -analytic -17.55871E+0 00E+0 -38.97204E+2 00E+0 00E+0
 
-Tiemannite
-HgSe     = 1.000Hg+2     - 1.000H+     + 1.000HSe-
-     log_k   -45.430     
-     delta_h  241.521    #kJ/mol        
-     # Enthalpy of formation:           -57.011        #kJ/mol        
-     -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0
+ThO2(aged)
+ThO2 = Th+4 - 4 H+ + 2 H2O
+      log_k 8.5 #09RAN/FUG
+      -analytic 85E-1 00E+0 00E+0 00E+0 00E+0
+
+ThO2(coll)
+ThO2 = Th+4 - 4 H+ + 2 H2O
+      log_k 11.1 #09RAN/FUG
+      -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0
+
+ThO2(cr)
+ThO2 = Th+4 - 4 H+ + 2 H2O
+      log_k 1.77
+      delta_h -113.96 #kJ/mol
+#     Enthalpy of formation: -1226.400 kJ/mol  09RAN/FUG
+      -analytic -18.19493E+0 00E+0 59.52545E+2 00E+0 00E+0
+
+ThO2(fresh)
+ThO2 = Th+4 - 4 H+ + 2 H2O
+      log_k 9.3 #09RAN/FUG
+      -analytic 93E-1 00E+0 00E+0 00E+0 00E+0
+
+ThO2(mcr)
+ThO2 = Th+4 - 4 H+ + 2 H2O
+      log_k 3 #09RAN/FUG
+      -analytic 30E-1 00E+0 00E+0 00E+0 00E+0
 
 Tobermorite-11A
-Ca5Si6O16.5(OH):5H2O     = 5.000Ca+2     - 10.000H+     + 6.000H4(SiO4)     - 1.500H2O
-     log_k    65.580     #10BLA/BOU1
-     delta_h -372.499    #kJ/mol        
-     # Enthalpy of formation:           -10680.92        #kJ/mol        #00ZUE/FEH
-     -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0
+Ca5Si6O16.5(OH):5H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) - 1.5 H2O
+      log_k 65.58 #10BLA/BOU1
+      delta_h -372.499 #kJ/mol
+#     Enthalpy of formation: -10680.920kJ/mol  00ZUE/FEH
+      -analytic 32.09765E-2 00E+0 19.45698E+3 00E+0 00E+0
+      -Vm 286.19
 
 Tobermorite-14A
-Ca5Si6O16.5(OH):10H2O     = 5.000Ca+2     - 10.000H+     + 6.000H4(SiO4)     + 3.500H2O
-     log_k    62.940     #10BLA/BOU1
-     delta_h -307.419    #kJ/mol        
-     # Enthalpy of formation:           -12175.15        #kJ/mol        #10BLA/BOU1
-     -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0
+Ca5Si6O16.5(OH):10H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) + 3.5 H2O
+      log_k 62.94 #10BLA/BOU1
+      delta_h -307.419 #kJ/mol
+#     Enthalpy of formation: -12175.150kJ/mol  10BLA/BOU1
+      -analytic 90.82503E-1 00E+0 16.05761E+3 00E+0 00E+0
+      -Vm 351.3
 
 Trevorite
-Fe2NiO4     = 2.000Fe+3     + 1.000Ni+2     - 8.000H+     + 4.000H2O
-     log_k     9.400     
-     delta_h -214.413    #kJ/mol        
-     # Enthalpy of formation:           -1081.173        #kJ/mol        
-     -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0
+Fe2NiO4 = 2 Fe+3 + Ni+2 - 8 H+ + 4 H2O
+      log_k 9.43
+      delta_h -217.41 #kJ/mol
+#     Enthalpy of formation: -1081.032 kJ/mol
+      -analytic -28.6586E+0 00E+0 11.35612E+3 00E+0 00E+0
 
 Troilite
-FeS      = 1.000Fe+2     - 1.000H+     + 1.000HS-
-     log_k    -5.310     #91DAV
-     delta_h   2.015     #kJ/mol        
-     # Enthalpy of formation:           -108.315        #kJ/mol        
-     -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0
+FeS = Fe+2 - H+ + HS-
+      log_k -3.99
+      delta_h -5.685 #kJ/mol
+#     Enthalpy of formation: -100.910  kJ/mol  20LEM/PAL
+      -analytic -49.85969E-1 00E+0 29.69482E+1 00E+0 00E+0
 
 Trona
-Na3H(CO3)2:2H2O     = 3.000Na+     + 1.000H+     + 2.000CO3-2     + 2.000H2O
-     log_k   -11.380     #84HAR/MOL
-     delta_h  38.960     #kJ/mol        
-     # Enthalpy of formation:           -2682.1        #kJ/mol        #82VAN
-     -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0
+Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O
+      log_k -11.38 #84HAR/MOL
+      delta_h 38.96 #kJ/mol
+#     Enthalpy of formation: -2682.100 kJ/mol  82VAN
+      -analytic -45.54501E-1 00E+0 -20.35023E+2 00E+0 00E+0
 
 Truscottite
-Ca7Si12O29(OH)4:H2O     = 7.000Ca+2     - 14.000H+     + 12.000H4(SiO4)     - 14.000H2O
-     log_k    77.080     
-     delta_h -479.088    #kJ/mol        
-     # Enthalpy of formation:           -16854.62        #kJ/mol        #10BLA/BOU1
-     -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0
-
-U(HPO4)2:4H2O(s)
-U(HPO4)2:4H2O     = 1.000U+4     - 2.000H+     + 2.000H2(PO4)-     + 4.000H2O
-     log_k   -16.070     #92GRE/FUG
-     delta_h  -4.902     #kJ/mol        
-     # Enthalpy of formation:           -4334.819        #kJ/mol        
-     -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0
-
-U(OH)2(SO4)(cr)
-U(OH)2(SO4)     = 1.000U+4     - 2.000H+     + 1.000SO4-2     + 2.000H2O
-     log_k    -3.170     #92GRE/FUG
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0
-
-U(SO4)2(cr)
-U(SO4)2     = 1.000U+4     + 2.000SO4-2
-     log_k   -11.680     
-     delta_h -100.280    #kJ/mol        
-     # Enthalpy of formation:           -2309.6        #kJ/mol        #92GRE/FUG
-     -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0
-
-U(SO4)2:4H2O(cr)
-U(SO4)2:4H2O     = 1.000U+4     + 2.000SO4-2     + 4.000H2O
-     log_k   -11.720     
-     delta_h  -70.000    #kJ/mol        
-     # Enthalpy of formation:           -3483.2        #kJ/mol        #92GRE/FUG
-     -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0
-
-U(SO4)2:8H2O(cr)
-U(SO4)2:8H2O     = 1.000U+4     + 2.000SO4-2     + 8.000H2O
-     log_k   -12.770     
-     delta_h  -33.920    #kJ/mol        
-     # Enthalpy of formation:           -4662.6        #kJ/mol        #92GRE/FUG
-     -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0
+Ca7Si12O29(OH)4:H2O = 7 Ca+2 - 14 H+ + 12 H4(SiO4) - 14 H2O
+      log_k 77.08
+      delta_h -479.088 #kJ/mol
+#     Enthalpy of formation: -16854.620kJ/mol  10BLA/BOU1
+      -analytic -68.52615E-1 00E+0 25.02451E+3 00E+0 00E+0
+      -Vm 478.73
 
 U(cr)
-U     = 1.000U+4     + 2.000H2O     - 4.000H+     - 1.000O2
-     log_k   178.810     
-     delta_h -1150.726   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #92GRE/FUG
-     -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0
+U = U+4 + 4 e-
+      log_k 92.83
+      delta_h -591.2 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  92GRE/FUG
+      -analytic -10.74379E+0 00E+0 30.88053E+3 00E+0 00E+0
+
+U(HPO4)2:4H2O(s)
+U(HPO4)2:4H2O = U+4 - 2 H+ + 2 H2(PO4)- + 4 H2O
+      log_k -16.07 #92GRE/FUG
+      delta_h -4.89 #kJ/mol
+#     Enthalpy of formation: -4334.828 kJ/mol
+      -analytic -16.92669E+0 00E+0 25.54225E+1 00E+0 00E+0
+
+U(OH)2(SO4)(cr)
+U(OH)2(SO4) = U+4 - 2 H+ + SO4-2 + 2 H2O
+      log_k -3.17 #92GRE/FUG
+      -analytic -31.7E-1 00E+0 00E+0 00E+0 00E+0
+
+U(SO4)2(cr)
+U(SO4)2 = U+4 + 2 SO4-2
+      log_k -11.68
+      delta_h -100.28 #kJ/mol
+#     Enthalpy of formation: -2309.600 kJ/mol  92GRE/FUG
+      -analytic -29.2483E+0 00E+0 52.37989E+2 00E+0 00E+0
+
+U(SO4)2:4H2O(cr)
+U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O
+      log_k -11.71
+      delta_h -70 #kJ/mol
+#     Enthalpy of formation: -3483.200 kJ/mol  92GRE/FUG
+      -analytic -23.97347E+0 00E+0 36.56355E+2 00E+0 00E+0
+
+U(SO4)2:8H2O(s)
+U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O
+      log_k -12.77
+      delta_h -33.92 #kJ/mol
+#     Enthalpy of formation: -4662.600 kJ/mol  92GRE/FUG
+      -analytic -18.71253E+0 00E+0 17.71765E+2 00E+0 00E+0
 
 U2O7Ba(cr)
-U2O7Ba     = 1.000Ba+2     + 2.000UO2+2     - 6.000H+     + 3.000H2O
-     log_k    21.390     
-     delta_h -193.090    #kJ/mol        
-     # Enthalpy of formation:           -3237.2        #kJ/mol        #92GRE/FUG
-     -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0
+U2O7Ba = Ba+2 + 2 UO2+2 - 6 H+ + 3 H2O
+      log_k 21.39
+      delta_h -193.09 #kJ/mol
+#     Enthalpy of formation: -3237.200 kJ/mol  92GRE/FUG
+      -analytic -12.43792E+0 00E+0 10.08579E+3 00E+0 00E+0
 
 U2O7Ba2(cr)
-U2O7Ba2     = 2.000Ba+2     + 2.000UO2+     - 6.000H+     + 3.000H2O
-     log_k    35.350     
-     delta_h -237.344    #kJ/mol        
-     # Enthalpy of formation:           -3740        #kJ/mol        #92GRE/FUG
-     -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0
+U2O7Ba2 = 2 Ba+2 + 2 UO2+ - 6 H+ + 3 H2O
+      log_k 35.35
+      delta_h -237.344 #kJ/mol
+#     Enthalpy of formation: -3740.000 kJ/mol  92GRE/FUG
+      -analytic -62.30884E-1 00E+0 12.39734E+3 00E+0 00E+0
 
 U2O7Na2(s)
-U2O7Na2     = 2.000Na+     + 2.000UO2+2     - 6.000H+     + 3.000H2O
-     log_k    22.600     
-     delta_h -172.370    #kJ/mol        
-     # Enthalpy of formation:           -3203.8        #kJ/mol        #92GRE/FUG
-     -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0
+U2O7Na2 = 2 Na+ + 2 UO2+2 - 6 H+ + 3 H2O
+      log_k 22.6
+      delta_h -172.37 #kJ/mol
+#     Enthalpy of formation: -3203.800 kJ/mol  92GRE/FUG
+      -analytic -75.97928E-1 00E+0 90.03512E+2 00E+0 00E+0
 
 U3As4(s)
-U3As4     = 3.000UO2+2     - 3.000H2O     + 6.000H+     + 4.000AsO4-3     - 9.500O2
-     log_k   730.640     
-     delta_h -4916.797   #kJ/mol        
-     # Enthalpy of formation:           -720        #kJ/mol        #03GUI/FAN
-     -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0
+U3As4 = 3 UO2+2 + 44 H+ + 38 e- + 4 AsO4-3 - 22 H2O
+      log_k -86.09
+      delta_h 398.7 #kJ/mol
+#     Enthalpy of formation: -720.000  kJ/mol  03GUI/FAN
+      -analytic -16.24076E+0 00E+0 -20.82555E+3 00E+0 00E+0
 
 UAs(s)
-UAs     = 1.000UO2+2     - 0.500H2O     + 1.000H+     + 1.000AsO4-3     - 2.750O2
-     log_k   225.935     
-     delta_h -1496.557   #kJ/mol        
-     # Enthalpy of formation:           -234.3        #kJ/mol        #03GUI/FAN
-     -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0
+UAs = UO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O
+      log_k -10.48
+      delta_h 42.14 #kJ/mol
+#     Enthalpy of formation: -234.300  kJ/mol  03GUI/FAN
+      -analytic -30.97389E-1 00E+0 -22.01125E+2 00E+0 00E+0
 
 UAs2(s)
-UAs2     = 1.000UO2+2     - 2.000H2O     + 4.000H+     + 2.000AsO4-3     - 4.000O2
-     log_k   278.200     
-     delta_h -1923.084   #kJ/mol        
-     # Enthalpy of formation:           -252        #kJ/mol        #03GUI/FAN
-     -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0
+UAs2 = UO2+2 + 20 H+ + 16 e- + 2 AsO4-3 - 10 H2O
+      log_k -65.68
+      delta_h 315.02 #kJ/mol
+#     Enthalpy of formation: -252.000  kJ/mol  03GUI/FAN
+      -analytic -10.49087E+0 00E+0 -16.45464E+3 00E+0 00E+0
 
 UO2(CO3)3Mg2:18H2O(s)
-UO2(CO3)3Mg2:18H2O     = 2.000Mg+2     + 1.000UO2+2     + 3.000CO3-2     + 18.000H2O
-     log_k   -29.010     
-     delta_h  40.570     #kJ/mol        
-     # Enthalpy of formation:           -9164.2        #kJ/mol        #99CHE/EWI
-     -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0
+UO2(CO3)3Mg2:18H2O = 2 Mg+2 + UO2+2 + 3 CO3-2 + 18 H2O
+      log_k -29.01
+      delta_h 40.57 #kJ/mol
+#     Enthalpy of formation: -9164.200 kJ/mol  99CHE/EWI
+      -analytic -21.90244E+0 00E+0 -21.19119E+2 00E+0 00E+0
 
 UO2(CO3)3Na4(cr)
-UO2(CO3)3Na4     = 4.000Na+     + 1.000UO2+2     + 3.000CO3-2
-     log_k   -27.180     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0
+UO2(CO3)3Na4 = 4 Na+ + UO2+2 + 3 CO3-2
+      log_k -27.18 #03GUI/FAN
+      -analytic -27.18E+0 00E+0 00E+0 00E+0 00E+0
 
 UO2(HPO4):4H2O(cr)
-UO2(HPO4):4H2O     = 1.000UO2+2     - 1.000H+     + 1.000H2(PO4)-     + 4.000H2O
-     log_k    -4.640     #92GRE/FUG
-     delta_h   5.048     #kJ/mol        
-     # Enthalpy of formation:           -3469.968        #kJ/mol        
-     -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0
+UO2(HPO4):4H2O = UO2+2 - H+ + H2(PO4)- + 4 H2O
+      log_k -4.64 #92GRE/FUG
+      delta_h 5.048 #kJ/mol
+#     Enthalpy of formation: -3469.967 kJ/mol
+      -analytic -37.55628E-1 00E+0 -26.36754E+1 00E+0 00E+0
 
 UO2(OH)2(beta)
-UO2(OH)2     = 1.000UO2+2     - 2.000H+     + 2.000H2O
-     log_k     4.930     
-     delta_h  -56.860    #kJ/mol        
-     # Enthalpy of formation:           -1533.8        #kJ/mol        #92GRE/FUG
-     -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0
+UO2(OH)2 = UO2+2 - 2 H+ + 2 H2O
+      log_k 4.93
+      delta_h -56.86 #kJ/mol
+#     Enthalpy of formation: -1533.800 kJ/mol  92GRE/FUG
+      -analytic -50.31444E-1 00E+0 29.70005E+2 00E+0 00E+0
 
 UO2(Ox):3H2O(s)
-UO2(Ox):3H2O     = 1.000UO2+2     + 1.000Ox-2     + 3.000H2O
-     log_k    -8.930     #05HUM/AND
-     delta_h  -5.160     #kJ/mol        #05HUM/AND
-     # Enthalpy of formation:           -2701.99        #kJ/mol        
-     -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0
+UO2(Ox):3H2O = UO2+2 + Ox-2 + 3 H2O
+      log_k -8.93 #05HUM/AND
+      delta_h -5.16 #kJ/mol 05HUM/AND
+#     Enthalpy of formation: -2701.990 kJ/mol
+      -analytic -98.33993E-1 00E+0 26.95256E+1 00E+0 00E+0
 
 UO2(SO3)(cr)
-UO2(SO3)     = 1.000UO2+2     + 1.000SO3-2
-     log_k   -15.830     
-     delta_h   6.450     #kJ/mol        
-     # Enthalpy of formation:           -1661        #kJ/mol        #92GRE/FUG
-     -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0
+UO2(SO3) = UO2+2 + SO3-2
+      log_k -16.05
+      delta_h 10.94 #kJ/mol
+#     Enthalpy of formation: -1661.000 kJ/mol  92GRE/FUG
+      -analytic -14.13339E+0 00E+0 -57.1436E+1 00E+0 00E+0
 
 UO2(SO4)(cr)
-UO2(SO4)     = 1.000UO2+2     + 1.000SO4-2
-     log_k     1.890     #92GRE/FUG
-     delta_h  -83.200    #kJ/mol        
-     # Enthalpy of formation:           -1845.14        #kJ/mol        #92GRE/FUG
-     -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0
+UO2(SO4) = UO2+2 + SO4-2
+      log_k 1.89
+      delta_h -83.2 #kJ/mol
+#     Enthalpy of formation: -1845.140 kJ/mol  92GRE/FUG
+      -analytic -12.68601E+0 00E+0 43.45839E+2 00E+0 00E+0
 
 UO2(SO4):2.5H2O(cr)
-UO2(SO4):2.5H2O     = 1.000UO2+2     + 1.000SO4-2     + 2.500H2O
-     log_k    -1.590     
-     delta_h  -35.915    #kJ/mol        
-     # Enthalpy of formation:           -2607        #kJ/mol        #92GRE/FUG
-     -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0
+UO2(SO4):2.5H2O = UO2+2 + SO4-2 + 2.5 H2O
+      log_k -1.59
+      delta_h -35.915 #kJ/mol
+#     Enthalpy of formation: -2607.000 kJ/mol  92GRE/FUG
+      -analytic -78.82038E-1 00E+0 18.75971E+2 00E+0 00E+0
 
 UO2(SO4):3.5H2O(cr)
-UO2(SO4):3.5H2O     = 1.000UO2+2     + 1.000SO4-2     + 3.500H2O
-     log_k    -1.590     
-     delta_h  -27.145    #kJ/mol        
-     # Enthalpy of formation:           -2901.6        #kJ/mol        #92GRE/FUG
-     -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0
+UO2(SO4):3.5H2O = UO2+2 + SO4-2 + 3.5 H2O
+      log_k -1.59
+      delta_h -27.145 #kJ/mol
+#     Enthalpy of formation: -2901.600 kJ/mol  92GRE/FUG
+      -analytic -63.456E-1 00E+0 14.17882E+2 00E+0 00E+0
 
 UO2(SO4):3H2O(cr)
-UO2(SO4):3H2O     = 1.000UO2+2     + 1.000SO4-2     + 3.000H2O
-     log_k    -1.500     #92GRE/FUG
-     delta_h  -34.330    #kJ/mol        
-     # Enthalpy of formation:           -2751.5        #kJ/mol        #92GRE/FUG
-     -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0
+UO2(SO4):3H2O = UO2+2 + SO4-2 + 3 H2O
+      log_k -1.5
+      delta_h -34.33 #kJ/mol
+#     Enthalpy of formation: -2751.500 kJ/mol  92GRE/FUG
+      -analytic -75.14358E-1 00E+0 17.93181E+2 00E+0 00E+0
 
 UO2.25(s)
-UO2.25     = 1.000U+4     - 4.000H+     + 2.000H2O     + 0.125O2
-     log_k   -11.748     
-     delta_h  -36.377    #kJ/mol        
-     # Enthalpy of formation:           -1128        #kJ/mol        #92GRE/FUG
-     -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0
+UO2.25 = U+4 - 4.5 H+ - 0.5 e- + 2.25 H2O
+      log_k -1
+      delta_h -106.318 #kJ/mol
+#     Enthalpy of formation: -1128.000 kJ/mol  92GRE/FUG
+      -analytic -19.62611E+0 00E+0 55.53376E+2 00E+0 00E+0
 
 UO2.34(beta)
-UO2.34     = 1.000U+4     - 4.000H+     + 2.000H2O     + 0.170O2
-     log_k   -13.987     
-     delta_h  -22.008    #kJ/mol        
-     # Enthalpy of formation:           -1141        #kJ/mol        #03GUI/FAN
-     -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0
+UO2.34 = U+4 - 4.68 H+ - 0.68 e- + 2.34 H2O
+      log_k 0.95
+      delta_h -119.042 #kJ/mol
+#     Enthalpy of formation: -1141.000 kJ/mol  03GUI/FAN
+      -analytic -19.90526E+0 00E+0 62.17997E+2 00E+0 00E+0
 
 UO2.67(s)
-UO2.67     = 1.000U+4     - 4.000H+     + 2.000H2O     + 0.335O2
-     log_k   -21.953     
-     delta_h  25.618     #kJ/mol        
-     # Enthalpy of formation:           -1191.6        #kJ/mol        #92GRE/FUG
-     -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0
+UO2.67 = U+4 - 5.34 H+ - 1.34 e- + 2.67 H2O
+      log_k 7
+      delta_h -162.766 #kJ/mol
+#     Enthalpy of formation: -1191.600 kJ/mol  92GRE/FUG
+      -analytic -21.51538E+0 00E+0 85.0186E+2 00E+0 00E+0
 
 UO2:2H2O(am)
-UO2:2H2O     = 1.000U+4     - 4.000H+     + 4.000H2O
-     log_k     1.500     #03GUI/FAN
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
+UO2:2H2O = U+4 - 4 H+ + 4 H2O
+      log_k 1.5 #20GRE/GAO
+      -analytic 15E-1 00E+0 00E+0 00E+0 00E+0
 
 UO3(alfa)
-UO3     = 1.000UO2+2     - 2.000H+     + 1.000H2O
-     log_k     9.520     
-     delta_h  -92.420    #kJ/mol        
-     # Enthalpy of formation:           -1212.41        #kJ/mol        #03GUI/FAN
-     -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0
+UO3 = UO2+2 - 2 H+ + H2O
+      log_k 9.52
+      delta_h -92.42 #kJ/mol
+#     Enthalpy of formation: -1212.410 kJ/mol  03GUI/FAN
+      -analytic -66.71289E-1 00E+0 48.27433E+2 00E+0 00E+0
 
 UO3(beta)
-UO3     = 1.000UO2+2     - 2.000H+     + 1.000H2O
-     log_k     8.300     
-     delta_h  -84.530    #kJ/mol        
-     # Enthalpy of formation:           -1220.3        #kJ/mol        #92GRE/FUG
-     -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0
+UO3 = UO2+2 - 2 H+ + H2O
+      log_k 8.3
+      delta_h -84.53 #kJ/mol
+#     Enthalpy of formation: -1220.300 kJ/mol  92GRE/FUG
+      -analytic -65.0902E-1 00E+0 44.15309E+2 00E+0 00E+0
+
+UO3:0.9H2O(s)
+UO3:0.9H2O = UO2+2 - 2 H+ + 1.9 H2O
+      log_k 5
+      delta_h -55.777 #kJ/mol
+#     Enthalpy of formation: -1506.300 kJ/mol  92GRE/FUG
+      -analytic -47.71711E-1 00E+0 29.13436E+2 00E+0 00E+0
 
 UO3Na(s)
-UO3Na     = 1.000Na+     + 1.000UO2+     - 2.000H+     + 1.000H2O
-     log_k     8.340     
-     delta_h  -56.397    #kJ/mol        
-     # Enthalpy of formation:           -1494.9        #kJ/mol        #92GRE/FUG
-     -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0
+UO3Na = Na+ + UO2+ - 2 H+ + H2O
+      log_k 8.34
+      delta_h -56.397 #kJ/mol
+#     Enthalpy of formation: -1494.900 kJ/mol  92GRE/FUG
+      -analytic -15.4033E-1 00E+0 29.4582E+2 00E+0 00E+0
 
 UO4Ba(s)
-UO4Ba     = 1.000Ba+2     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    17.640     
-     delta_h -131.660    #kJ/mol        
-     # Enthalpy of formation:           -1993.8        #kJ/mol        #92GRE/FUG
-     -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0
+UO4Ba = Ba+2 + UO2+2 - 4 H+ + 2 H2O
+      log_k 17.64
+      delta_h -131.66 #kJ/mol
+#     Enthalpy of formation: -1993.800 kJ/mol  92GRE/FUG
+      -analytic -54.25842E-1 00E+0 68.77081E+2 00E+0 00E+0
 
 UO4Ca(cr)
-UO4Ca     = 1.000Ca+2     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    15.930     
-     delta_h -131.360    #kJ/mol        
-     # Enthalpy of formation:           -2002.3        #kJ/mol        #92GRE/FUG
-     -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0
+UO4Ca = Ca+2 + UO2+2 - 4 H+ + 2 H2O
+      log_k 15.93
+      delta_h -131.36 #kJ/mol
+#     Enthalpy of formation: -2002.300 kJ/mol  92GRE/FUG
+      -analytic -70.83284E-1 00E+0 68.61411E+2 00E+0 00E+0
 
 UO4Li2(s)
-UO4Li2     = 2.000Li+     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    27.940     
-     delta_h -179.400    #kJ/mol        
-     # Enthalpy of formation:           -1968.2        #kJ/mol        #92GRE/FUG
-     -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0
+UO4Li2 = UO2+2 - 4 H+ + 2 H2O + 2 Li+
+      log_k 27.94
+      delta_h -179.4 #kJ/mol
+#     Enthalpy of formation: -1968.200 kJ/mol  92GRE/FUG
+      -analytic -34.89531E-1 00E+0 93.70715E+2 00E+0 00E+0
 
 UO4Mg(cr)
-UO4Mg     = 1.000Mg+2     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    23.230     
-     delta_h -200.360    #kJ/mol        
-     # Enthalpy of formation:           -1857.3        #kJ/mol        #92GRE/FUG
-     -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0
+UO4Mg = Mg+2 + UO2+2 - 4 H+ + 2 H2O
+      log_k 23.23
+      delta_h -200.36 #kJ/mol
+#     Enthalpy of formation: -1857.300 kJ/mol  92GRE/FUG
+      -analytic -11.87157E+0 00E+0 10.46553E+3 00E+0 00E+0
 
 UO4Na2(alfa)
-UO4Na2     = 2.000Na+     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    30.030     
-     delta_h -173.640    #kJ/mol        
-     # Enthalpy of formation:           -1897.7        #kJ/mol        #92GRE/FUG
-     -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0
+UO4Na2 = 2 Na+ + UO2+2 - 4 H+ + 2 H2O
+      log_k 30.03
+      delta_h -173.64 #kJ/mol
+#     Enthalpy of formation: -1897.700 kJ/mol  92GRE/FUG
+      -analytic -39.04222E-2 00E+0 90.69849E+2 00E+0 00E+0
 
 UO4Na3(cr)
-UO4Na3     = 3.000Na+     + 1.000UO2+     - 4.000H+     + 2.000H2O
-     log_k    56.280     
-     delta_h -293.807    #kJ/mol        
-     # Enthalpy of formation:           -2024        #kJ/mol        #92GRE/FUG
-     -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0
+UO4Na3 = 3 Na+ + UO2+ - 4 H+ + 2 H2O
+      log_k 56.28
+      delta_h -293.807 #kJ/mol
+#     Enthalpy of formation: -2024.000 kJ/mol  92GRE/FUG
+      -analytic 48.07223E-1 00E+0 15.34661E+3 00E+0 00E+0
 
 UO4Sr(alfa)
-UO4Sr     = 1.000Sr+2     + 1.000UO2+2     - 4.000H+     + 2.000H2O
-     log_k    19.160     
-     delta_h -151.960    #kJ/mol        
-     # Enthalpy of formation:           -1989.6        #kJ/mol        #92GRE/FUG
-     -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0
+UO4Sr = Sr+2 + UO2+2 - 4 H+ + 2 H2O
+      log_k 19.16
+      delta_h -151.96 #kJ/mol
+#     Enthalpy of formation: -1989.600 kJ/mol  92GRE/FUG
+      -analytic -74.62249E-1 00E+0 79.37424E+2 00E+0 00E+0
 
 UO6Ba3(cr)
-UO6Ba3     = 3.000Ba+2     + 1.000UO2+2     - 8.000H+     + 4.000H2O
-     log_k    92.700     
-     delta_h -556.320    #kJ/mol        
-     # Enthalpy of formation:           -3210.4        #kJ/mol        #92GRE/FUG
-     -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0
-
-US2(cr)
-US2     = 1.000U+4     - 2.000H+     + 2.000HS-
-     log_k    -2.430     
-     delta_h -103.400    #kJ/mol        
-     # Enthalpy of formation:           -520.4        #kJ/mol        #92GRE/FUG
-     -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0
-
-USe2(beta)
-USe2     = 1.000U+4     - 2.000H+     + 2.000HSe-
-     log_k     2.820     
-     delta_h -135.600    #kJ/mol        
-     # Enthalpy of formation:           -427        #kJ/mol        #92GRE/FUG
-     -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0
+UO6Ba3 = 3 Ba+2 + UO2+2 - 8 H+ + 4 H2O
+      log_k 92.7
+      delta_h -556.32 #kJ/mol
+#     Enthalpy of formation: -3210.400 kJ/mol  92GRE/FUG
+      -analytic -47.6308E-1 00E+0 29.05862E+3 00E+0 00E+0
 
 Uraninite
-UO2     = 1.000U+4     - 4.000H+     + 2.000H2O
-     log_k    -4.850     
-     delta_h  -77.860    #kJ/mol        
-     # Enthalpy of formation:           -1085        #kJ/mol        #92GRE/FUG
-     -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0
+UO2 = U+4 - 4 H+ + 2 H2O
+      log_k -4.85
+      delta_h -77.86 #kJ/mol
+#     Enthalpy of formation: -1085.000 kJ/mol  92GRE/FUG
+      -analytic -18.49049E+0 00E+0 40.66911E+2 00E+0 00E+0
 
 Uranophane
-Ca(UO2)2(SiO3OH)2:5H2O     = 1.000Ca+2     + 2.000UO2+2     - 6.000H+     + 2.000H4(SiO4)     + 5.000H2O
-     log_k     9.420     #92NGU/SIL
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0
+Ca(UO2)2(SiO3OH)2:5H2O = Ca+2 + 2 UO2+2 - 6 H+ + 2 H4(SiO4) + 5 H2O
+      log_k 11.52 #20GRE/GAO
+      -analytic 11.52E+0 00E+0 00E+0 00E+0 00E+0
+
+US2(cr)
+US2 = U+4 - 2 H+ + 2 HS-
+      log_k -2.43
+      delta_h -103.4 #kJ/mol
+#     Enthalpy of formation: -520.400  kJ/mol  92GRE/FUG
+      -analytic -20.5449E+0 00E+0 54.00958E+2 00E+0 00E+0
+
+USe2(beta)
+USe2 = U+4 - 2 H+ + 2 HSe-
+      log_k 2.82
+      delta_h -135.6 #kJ/mol
+#     Enthalpy of formation: -427.000  kJ/mol  92GRE/FUG
+      -analytic -20.9361E+0 00E+0 70.82881E+2 00E+0 00E+0
 
 Vaesite
-NiS2     = 1.000Ni+2     + 2.000HS-     - 1.000H2O     + 0.500O2
-     log_k   -60.960     
-     delta_h  320.151    #kJ/mol        
-     # Enthalpy of formation:           -128        #kJ/mol        #05GAM/BUG
-     -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0
+NiS2 = Ni+2 - 2 H+ - 2 e- + 2 HS-
+      log_k -17.97
+      delta_h 40.388 #kJ/mol
+#     Enthalpy of formation: -128.000  kJ/mol  05GAM/BUG
+      -analytic -10.89433E+0 00E+0 -21.09612E+2 00E+0 00E+0
 
 Valentinite
-Sb2O3     = 2.000Sb(OH)3     - 3.000H2O
-     log_k    -8.480     #52GAY/GAR in 76BAE/MES
-     delta_h  18.500     #kJ/mol        
-     # Enthalpy of formation:           -708.77        #kJ/mol        #62MAH in 03ZOT/SHI
-     -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0
+Sb2O3 = 2 Sb(OH)3 - 3 H2O
+      log_k -8.48
+      delta_h 18.474 #kJ/mol
+#     Enthalpy of formation: -708.770  kJ/mol  62MAH in 03ZOT/SHI
+      -analytic -52.43494E-1 00E+0 -96.49642E+1 00E+0 00E+0
 
 Vaterite
-CaCO3     = 1.000Ca+2     + 1.000CO3-2
-     log_k    -7.900     
-     delta_h  -14.930    #kJ/mol        
-     # Enthalpy of formation:           -1203.3        #kJ/mol        #87GAR/PAR
-     -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0
-
-Vermiculite-Ca
-Ca0.43Mg3Si3.14Al0.86O10(OH)2     = 0.430Ca+2     + 3.000Mg+2     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     - 0.560H2O
-     log_k    39.550     
-     delta_h -377.538    #kJ/mol        
-     # Enthalpy of formation:           -6148.06        #kJ/mol        #15BLA/VIE
-     -analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0
-
-Vermiculite-K
-K0.86Mg3.00Si3.14Al0.86O10(OH)2     = 3.000Mg+2     + 0.860K+     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     - 0.560H2O
-     log_k    37.440     
-     delta_h -335.539    #kJ/mol        
-     # Enthalpy of formation:           -6173.41        #kJ/mol        #15BLA/VIE
-     -analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0
-
-Vermiculite-Mg
-Mg0.43Mg3Si3.14Al0.86O10(OH)2     = 3.430Mg+2     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     - 0.560H2O
-     log_k    38.040     
-     delta_h -379.808    #kJ/mol        
-     # Enthalpy of formation:           -6113.11        #kJ/mol        #15BLA/VIE
-     -analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0
-
-Vermiculite-Na
-Na0.86Mg3.00Si3.14Al0.86O10(OH)2     = 3.000Mg+2     + 0.860Na+     + 0.860Al+3     - 9.440H+     + 3.140H4(SiO4)     - 0.560H2O
-     log_k    38.390     
-     delta_h -355.541    #kJ/mol        
-     # Enthalpy of formation:           -6143.26        #kJ/mol        #15BLA/VIE
-     -analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0
+CaCO3 = Ca+2 + CO3-2
+      log_k -7.9
+      delta_h -14.93 #kJ/mol
+#     Enthalpy of formation: -1203.300 kJ/mol  87GAR/PAR
+      -analytic -10.51562E+0 00E+0 77.98482E+1 00E+0 00E+0
 
 Vermiculite_SO
-(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2     = 0.445Ca+2     + 2.475Mg+2     + 0.226Fe+3     + 1.438Al+3     + 2.778H4(SiO4)     + 0.028Fe+2     + 0.888H2O     - 10.888H+
-     log_k    45.910     
-     delta_h -463.877    #kJ/mol        
-     # Enthalpy of formation:           -6034.41        #kJ/mol        #13GAI/BLA
-     -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0
+(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445 Ca+2 + 2.475 Mg+2 + 0.226 Fe+3 + 0.028 Fe+2 + 1.438 Al+3 - 10.888 H+ + 2.778 H4(SiO4) + 0.888 H2O
+      log_k 45.88
+      delta_h -464.124 #kJ/mol
+#     Enthalpy of formation: -6034.410 kJ/mol  13GAI/BLA
+      -analytic -35.43103E+0 00E+0 24.24288E+3 00E+0 00E+0
+      -Vm 148.36
+
+Vermiculite-Ca
+Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O
+      log_k 39.55
+      delta_h -377.538 #kJ/mol
+#     Enthalpy of formation: -6148.060 kJ/mol  15BLA/VIE
+      -analytic -26.59182E+0 00E+0 19.72018E+3 00E+0 00E+0
+      -Vm 149.8
+
+Vermiculite-K
+K0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O
+      log_k 37.44
+      delta_h -335.539 #kJ/mol
+#     Enthalpy of formation: -6173.410 kJ/mol  15BLA/VIE
+      -analytic -21.34391E+0 00E+0 17.52642E+3 00E+0 00E+0
+      -Vm 147.56
+
+Vermiculite-Mg
+Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O
+      log_k 38.04
+      delta_h -379.808 #kJ/mol
+#     Enthalpy of formation: -6113.110 kJ/mol  15BLA/VIE
+      -analytic -28.49951E+0 00E+0 19.83875E+3 00E+0 00E+0
+      -Vm 139.69
+
+Vermiculite-Na
+Na0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O
+      log_k 38.39
+      delta_h -355.541 #kJ/mol
+#     Enthalpy of formation: -6143.260 kJ/mol  15BLA/VIE
+      -analytic -23.89811E+0 00E+0 18.5712E+3 00E+0 00E+0
+      -Vm 145.71
 
 Vivianite
-Fe3(PO4)2:8H2O     = 3.000Fe+2     - 4.000H+     + 2.000H2(PO4)-     + 8.000H2O
-     log_k     3.120     
-     delta_h  -9.561     #kJ/mol        
-     # Enthalpy of formation:           -5152.279        #kJ/mol        
-     -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0
+Fe3(PO4)2:8H2O = 3 Fe+2 - 4 H+ + 2 H2(PO4)- + 8 H2O
+      log_k 3.12 #20LEM/PAL
+      -analytic 31.2E-1 00E+0 00E+0 00E+0 00E+0
 
 Wairakite
-CaAl2Si4O12:2H2O     = 1.000Ca+2     + 2.000Al+3     - 8.000H+     + 4.000H4(SiO4)     - 2.000H2O
-     log_k    14.440     
-     delta_h -246.216    #kJ/mol        
-     # Enthalpy of formation:           -6646.7        #kJ/mol        #96KIS/NAV
-     -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0
+CaAl2Si4O12:2H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) - 2 H2O
+      log_k 14.42
+      delta_h -246.216 #kJ/mol
+#     Enthalpy of formation: -6646.700 kJ/mol  96KIS/NAV
+      -analytic -28.71519E+0 00E+0 12.86076E+3 00E+0 00E+0
+      -Vm 193.56
 
 Witherite
-Ba(CO3)     = 1.000Ba+2     + 1.000CO3-2
-     log_k    -8.560     #86BUS/PLU
-     delta_h   2.941     #kJ/mol        #86BUS/PLU
-     # Enthalpy of formation:           -1212.971        #kJ/mol        
-     -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0
+Ba(CO3) = Ba+2 + CO3-2
+      log_k -8.56 #86BUS/PLU
+      delta_h 2.941 #kJ/mol 86BUS/PLU
+#     Enthalpy of formation: -1212.971 kJ/mol
+      -analytic -80.44759E-1 00E+0 -15.36191E+1 00E+0 00E+0
 
 Xonotlite
-Ca6Si6O17(OH)2     = 6.000Ca+2     - 12.000H+     + 6.000H4(SiO4)     - 5.000H2O
-     log_k    91.340     #10BLA/BOU1
-     delta_h -573.864    #kJ/mol        
-     # Enthalpy of formation:           -10022.15        #kJ/mol        #56NEW
-     -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0
+Ca6Si6O17(OH)2 = 6 Ca+2 - 12 H+ + 6 H4(SiO4) - 5 H2O
+      log_k 91.34 #10BLA/BOU1
+      delta_h -573.864 #kJ/mol
+#     Enthalpy of formation: -10022.150kJ/mol  56NEW
+      -analytic -91.96657E-1 00E+0 29.975E+3 00E+0 00E+0
+      -Vm 256.9
 
 Zeolite_CaP
-Ca2Al4Si4O16:9H2O     = 2.000Ca+2     + 4.000Al+3     - 16.000H+     + 4.000H4(SiO4)     + 9.000H2O
-     log_k    45.150     #09BLA
-     delta_h -527.736    #kJ/mol        
-     # Enthalpy of formation:           -11129.11        #kJ/mol        #09BLA
-     -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0
+Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O
+      log_k 45.15 #09BLA
+      delta_h -527.736 #kJ/mol
+#     Enthalpy of formation: -11129.110kJ/mol  09BLA
+      -analytic -47.30538E+0 00E+0 27.56557E+3 00E+0 00E+0
+      -Vm 305.7
+
+Zn(cr)
+Zn = Zn+2 + 2 e-
+      log_k 25.79
+      delta_h -153.39 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -10.82774E-1 00E+0 80.12118E+2 00E+0 00E+0
 
 Zn(SeO4):6H2O(s)
-Zn(SeO4):6H2O     = 1.000Zn+2     + 1.000SeO4-2     + 6.000H2O
-     log_k    -1.538     #05OLI/NOL
-     delta_h  -13.330    #kJ/mol        
-     # Enthalpy of formation:           -2458.54        #kJ/mol        #05OLI/NOL
-     -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0
+Zn(SeO4):6H2O = Zn+2 + SeO4-2 + 6 H2O
+      log_k -1.54 #05OLI/NOL
+      delta_h -13.33 #kJ/mol
+#     Enthalpy of formation: -2458.540 kJ/mol  05OLI/NOL
+      -analytic -38.75316E-1 00E+0 69.62744E+1 00E+0 00E+0
 
 Zn3(AsO4)2(s)
-Zn3(AsO4)2     = 3.000Zn+2     + 2.000AsO4-3
-     log_k   -27.450     
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0
+Zn3(AsO4)2 = 3 Zn+2 + 2 AsO4-3
+      log_k -27.45
+      -analytic -27.45E+0 00E+0 00E+0 00E+0 00E+0
 
 ZnB2O4(s)
-ZnB2O4     = 1.000Zn+2     + 2.000B(OH)4-     - 4.000H2O
-     log_k   -10.190     #91BAL/NOR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0
-
-Zr(HPO4)2(alfa)
-Zr(HPO4)2     = - 2.000H+     + 2.000H2(PO4)-     + 1.000Zr+4
-     log_k   -32.270     
-     delta_h  -47.500    #kJ/mol        
-     # Enthalpy of formation:           -3166.2        #kJ/mol        #05BRO/CUR
-     -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0
-
-Zr(HPO4)2:H2O(cr)
-Zr(HPO4)2:H2O     = - 2.000H+     + 2.000H2(PO4)-     + 1.000Zr+4     + 1.000H2O
-     log_k   -27.080     #05BRO/CUR
-     delta_h  -33.430    #kJ/mol        
-     # Enthalpy of formation:           -3466.1        #kJ/mol        #05BRO/CUR
-     -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0
-
-Zr(OH)4(am,aged)
-Zr(OH)4     = - 4.000H+     + 1.000Zr+4     + 4.000H2O
-     log_k    -5.550     #Recalculated from 04EKB/KAL in 05BRO/CUR
-     # delta_h  0.000     #kJ/mol        
-     # Enthalpy of formation:                   #kJ/mol        
-     -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0
-
-Zr(OH)4(am,fresh)
-Zr(OH)4     = - 4.000H+     + 1.000Zr+4     + 4.000H2O
-     log_k    -3.240     #05BRO/CUR
-     delta_h  -89.620    #kJ/mol        
-     # Enthalpy of formation:           -1662.2        #kJ/mol        #05BRO/CUR
-     -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0
-
-Zr(SO4)2(cr)
-Zr(SO4)2     = 2.000SO4-2     + 1.000Zr+4
-     log_k     1.240     
-     delta_h -181.980    #kJ/mol        
-     # Enthalpy of formation:           -2245.2        #kJ/mol        #05BRO/CUR
-     -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0
-
-Zr(SO4)2:4H2O(s)
-Zr(SO4)2:4H2O     = 2.000SO4-2     + 1.000Zr+4     + 4.000H2O
-     log_k    -7.650     
-     delta_h  -99.600    #kJ/mol        
-     # Enthalpy of formation:           -3470.9        #kJ/mol        #05BRO/CUR
-     -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0
+ZnB2O4 = Zn+2 + 2 B(OH)4- - 4 H2O
+      log_k -10.19 #91BAL/NOR
+      -analytic -10.19E+0 00E+0 00E+0 00E+0 00E+0
 
 Zr(cr)
-Zr     = 1.000Zr+4     + 2.000H2O     - 4.000H+     - 1.000O2
-     log_k   178.570     
-     delta_h -1168.026   #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #05BRO/CUR
-     -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0
+Zr = 4 e- + Zr+4
+      log_k 92.59
+      delta_h -608.5 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  05BRO/CUR
+      -analytic -14.01462E+0 00E+0 31.78417E+3 00E+0 00E+0
+
+Zr(HPO4)2(alfa)
+Zr(HPO4)2 = -2 H+ + 2 H2(PO4)- + Zr+4
+      log_k -32.27
+      delta_h -47.5 #kJ/mol
+#     Enthalpy of formation: -3166.200 kJ/mol  05BRO/CUR
+      -analytic -40.59164E+0 00E+0 24.81098E+2 00E+0 00E+0
+
+Zr(HPO4)2:H2O(cr)
+Zr(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Zr+4 + H2O
+      log_k -27.08 #05BRO/CUR
+      delta_h -33.43 #kJ/mol
+#     Enthalpy of formation: -3466.100 kJ/mol  05BRO/CUR
+      -analytic -32.93668E+0 00E+0 17.46171E+2 00E+0 00E+0
+
+Zr(OH)4(am,aged)
+Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O
+      log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR
+      -analytic -55.5E-1 00E+0 00E+0 00E+0 00E+0
+
+Zr(OH)4(am,fresh)
+Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O
+      log_k -3.24 #05BRO/CUR
+      delta_h -89.62 #kJ/mol
+#     Enthalpy of formation: -1662.200 kJ/mol  05BRO/CUR
+      -analytic -18.94075E+0 00E+0 46.81179E+2 00E+0 00E+0
+
+Zr(SO4)2(cr)
+Zr(SO4)2 = 2 SO4-2 + Zr+4
+      log_k 1.24
+      delta_h -181.98 #kJ/mol
+#     Enthalpy of formation: -2245.200 kJ/mol  05BRO/CUR
+      -analytic -30.64153E+0 00E+0 95.05477E+2 00E+0 00E+0
+
+Zr(SO4)2:4H2O(s)
+Zr(SO4)2:4H2O = 2 SO4-2 + Zr+4 + 4 H2O
+      log_k -7.65
+      delta_h -99.6 #kJ/mol
+#     Enthalpy of formation: -3470.900 kJ/mol  05BRO/CUR
+      -analytic -25.09917E+0 00E+0 52.0247E+2 00E+0 00E+0
 
 ZrBr4(cr)
-ZrBr4     = 4.000Br-     + 1.000Zr+4
-     log_k    38.520     
-     delta_h -334.640    #kJ/mol        
-     # Enthalpy of formation:           -759.5        #kJ/mol        #05BRO/CUR
-     -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0
+ZrBr4 = 4 Br- + Zr+4
+      log_k 38.52
+      delta_h -334.64 #kJ/mol
+#     Enthalpy of formation: -759.500  kJ/mol  05BRO/CUR
+      -analytic -20.10641E+0 00E+0 17.47946E+3 00E+0 00E+0
 
 ZrCl(s)
-ZrCl     = 1.000Cl-     + 1.000Zr+4     + 1.500H2O     - 3.000H+     - 0.750O2
-     log_k   133.725     
-     delta_h -904.025    #kJ/mol        
-     # Enthalpy of formation:           -291.2        #kJ/mol        #05BRO/CUR
-     -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0
+ZrCl = 3 e- + Cl- + Zr+4
+      log_k 69.24
+      delta_h -484.38 #kJ/mol
+#     Enthalpy of formation: -291.200  kJ/mol  05BRO/CUR
+      -analytic -15.61973E+0 00E+0 25.30093E+3 00E+0 00E+0
 
 ZrCl2(s)
-ZrCl2     = 2.000Cl-     + 1.000Zr+4     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    94.640     
-     delta_h -679.623    #kJ/mol        
-     # Enthalpy of formation:           -542.8        #kJ/mol        #05BRO/CUR
-     -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0
+ZrCl2 = 2 e- + 2 Cl- + Zr+4
+      log_k 51.65
+      delta_h -399.86 #kJ/mol
+#     Enthalpy of formation: -542.800  kJ/mol  05BRO/CUR
+      -analytic -18.40246E+0 00E+0 20.88614E+3 00E+0 00E+0
 
 ZrCl3(s)
-ZrCl3     = 3.000Cl-     + 1.000Zr+4     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    62.215     
-     delta_h -489.522    #kJ/mol        
-     # Enthalpy of formation:           -760.1        #kJ/mol        #05BRO/CUR
-     -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0
+ZrCl3 = e- + 3 Cl- + Zr+4
+      log_k 40.72
+      delta_h -349.64 #kJ/mol
+#     Enthalpy of formation: -760.100  kJ/mol  05BRO/CUR
+      -analytic -20.5343E+0 00E+0 18.26297E+3 00E+0 00E+0
 
 ZrCl4(s)
-ZrCl4     = 4.000Cl-     + 1.000Zr+4
-     log_k    28.600     
-     delta_h -296.020    #kJ/mol        
-     # Enthalpy of formation:           -980.8        #kJ/mol        #05BRO/CUR
-     -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0
+ZrCl4 = 4 Cl- + Zr+4
+      log_k 28.6
+      delta_h -296.02 #kJ/mol
+#     Enthalpy of formation: -980.800  kJ/mol  05BRO/CUR
+      -analytic -23.26048E+0 00E+0 15.4622E+3 00E+0 00E+0
 
 ZrF2(s)
-ZrF2     = 2.000F-     + 1.000Zr+4     + 1.000H2O     - 2.000H+     - 0.500O2
-     log_k    75.600     
-     delta_h -602.963    #kJ/mol        
-     # Enthalpy of formation:           -956        #kJ/mol        #97VIS/COR
-     -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0
+ZrF2 = 2 e- + 2 F- + Zr+4
+      log_k 32.61
+      delta_h -323.2 #kJ/mol
+#     Enthalpy of formation: -956.000  kJ/mol  97VIS/COR
+      -analytic -24.01221E+0 00E+0 16.88191E+3 00E+0 00E+0
 
 ZrF3(s)
-ZrF3     = 3.000F-     + 1.000Zr+4     + 0.500H2O     - 1.000H+     - 0.250O2
-     log_k    24.295     
-     delta_h -321.432    #kJ/mol        
-     # Enthalpy of formation:           -1433        #kJ/mol        #97VIS/COR
-     -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0
+ZrF3 = e- + 3 F- + Zr+4
+      log_k 2.8
+      delta_h -181.55 #kJ/mol
+#     Enthalpy of formation: -1433.000 kJ/mol  97VIS/COR
+      -analytic -29.00619E+0 00E+0 94.83017E+2 00E+0 00E+0
 
 ZrF4(beta)
-ZrF4     = 4.000F-     + 1.000Zr+4
-     log_k   -27.250     
-     delta_h  -38.600    #kJ/mol        
-     # Enthalpy of formation:           -1911.3        #kJ/mol        #05BRO/CUR
-     -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0
+ZrF4 = 4 F- + Zr+4
+      log_k -27.25
+      delta_h -38.6 #kJ/mol
+#     Enthalpy of formation: -1911.300 kJ/mol  05BRO/CUR
+      -analytic -34.01243E+0 00E+0 20.16218E+2 00E+0 00E+0
 
 ZrI4(cr)
-ZrI4     = 4.000I-     + 1.000Zr+4
-     log_k    44.590     
-     delta_h -346.720    #kJ/mol        
-     # Enthalpy of formation:           -488.9        #kJ/mol        #05BRO/CUR
-     -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0
+ZrI4 = 4 I- + Zr+4
+      log_k 44.59
+      delta_h -346.72 #kJ/mol
+#     Enthalpy of formation: -488.900  kJ/mol  05BRO/CUR
+      -analytic -16.15274E+0 00E+0 18.11045E+3 00E+0 00E+0
 
 ZrO2(cr)
-ZrO2     = - 4.000H+     + 1.000Zr+4     + 2.000H2O
-     log_k    -7.000     
-     delta_h  -79.560    #kJ/mol        
-     # Enthalpy of formation:           -1100.6        #kJ/mol        #05BRO/CUR
-     -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0
+ZrO2 = -4 H+ + Zr+4 + 2 H2O
+      log_k -7
+      delta_h -79.56 #kJ/mol
+#     Enthalpy of formation: -1100.600 kJ/mol  05BRO/CUR
+      -analytic -20.93831E+0 00E+0 41.55708E+2 00E+0 00E+0
 
 ZrSiO4(s)
-ZrSiO4     = - 4.000H+     + 1.000H4(SiO4)     + 1.000Zr+4
-     log_k   -14.360     
-     delta_h  -35.494    #kJ/mol        
-     # Enthalpy of formation:           -2034.2        #kJ/mol        #05BRO/CUR
-     -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0
-
-illite-FeIII
-K0.85Fe0.25Al2.6Si3.15O10(OH)2     = 0.850K+     + 0.250Fe+3     + 2.600Al+3     - 9.400H+     + 3.150H4(SiO4)     - 0.600H2O
-     log_k    12.370     
-     delta_h -262.282    #kJ/mol        
-     # Enthalpy of formation:           -5795.39        #kJ/mol        #15BLA/VIE
-     -analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0
-
-
+ZrSiO4 = -4 H+ + H4(SiO4) + Zr+4
+      log_k -14.36
+      delta_h -35.494 #kJ/mol
+#     Enthalpy of formation: -2034.200 kJ/mol  05BRO/CUR
+      -analytic -20.57828E+0 00E+0 18.53981E+2 00E+0 00E+0
 
 
 # PMATCH GASES
 
 CH4(g)
-CH4     = 2.000H+     + 1.000CO3-2     + 1.000H2O     - 2.000O2
-     log_k   130.910     
-     delta_h -861.919    #kJ/mol        
-     # Enthalpy of formation:           -74.873        #kJ/mol        #98CHA
-     -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0
-
-CO(g)
-CO     = 2.000H+     + 1.000CO3-2     - 1.000H2O     - 0.500O2
-     log_k    28.350     
-     delta_h -272.803    #kJ/mol        
-     # Enthalpy of formation:           -110.53        #kJ/mol        #89COX/WAG
-     -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0
-
-CO2(g)
-CO2     = 2.000H+     + 1.000CO3-2     - 1.000H2O
-     log_k   -18.150     
-     delta_h   4.110     #kJ/mol        
-     # Enthalpy of formation:           -393.51        #kJ/mol        #89COX/WAG
-     -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0
+CH4 = 10 H+ + 8 e- + CO3-2 - 3 H2O
+      log_k -41.05
+      delta_h 257.133 #kJ/mol
+#     Enthalpy of formation: -74.873   kJ/mol  98CHA
+      -analytic 39.97768E-1 00E+0 -13.43099E+3 00E+0 00E+0
 
 Cl2(g)
-Cl2     = 2.000Cl-     - 1.000H2O     + 2.000H+     + 0.500O2
-     log_k     2.990     
-     delta_h  -54.397    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0
+Cl2 = -2 e- + 2 Cl-
+      log_k 45.98
+      delta_h -334.16 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -12.56232E+0 00E+0 17.45439E+3 00E+0 00E+0
+
+CO(g)
+CO = 4 H+ + 2 e- + CO3-2 - 2 H2O
+      log_k -14.64
+      delta_h 6.96 #kJ/mol
+#     Enthalpy of formation: -110.530  kJ/mol  89COX/WAG
+      -analytic -13.42066E+0 00E+0 -36.35461E+1 00E+0 00E+0
+
+CO2(g)
+CO2 = 2 H+ + CO3-2 - H2O
+      log_k -18.15
+      delta_h 4.11 #kJ/mol
+#     Enthalpy of formation: -393.510  kJ/mol  89COX/WAG
+      -analytic -17.42996E+0 00E+0 -21.46803E+1 00E+0 00E+0
+
+F2(g)
+F2 = -2 e- + 2 F-
+      log_k 98.64
+      delta_h -670.7 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -18.8616E+0 00E+0 35.0331E+3 00E+0 00E+0
 
 H2(g)
-H2     = 1.000H2O     - 0.500O2
-     log_k    42.990     
-     delta_h -279.763    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        #89COX/WAG
-     -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0
+H2 = 2 H+ + 2 e-
+      log_k 0
+      delta_h 0 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 00E+0 00E+0 00E+0 00E+0 00E+0
 
 H2O(g)
-H2O     = 1.000H2O
-     log_k     1.500     
-     delta_h  -44.004    #kJ/mol        
-     # Enthalpy of formation:           -241.826        #kJ/mol        #89COX/WAG
-     -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0
+H2O = 2 H+ + 2 e- + 0.5 O2
+      log_k -41.5
+      delta_h 235.759 #kJ/mol
+#     Enthalpy of formation: -241.826  kJ/mol  89COX/WAG
+      -analytic -19.67962E-2 00E+0 -12.31455E+3 00E+0 00E+0
 
 H2S(g)
-H2S     = 1.000H+     + 1.000HS-
-     log_k    -8.000     
-     delta_h   4.300     #kJ/mol        
-     # Enthalpy of formation:           -20.6        #kJ/mol        #89COX/WAG
-     -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0
+H2S = H+ + HS-
+      log_k -8
+      delta_h 4.3 #kJ/mol
+#     Enthalpy of formation: -20.600   kJ/mol  89COX/WAG
+      -analytic -72.46672E-1 00E+0 -22.46046E+1 00E+0 00E+0
 
 HCl(g)
-HCl     = 1.000H+     + 1.000Cl-
-     log_k     6.290     
-     delta_h  -74.770    #kJ/mol        
-     # Enthalpy of formation:           -92.31        #kJ/mol        #89COX/WAG
-     -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0
+HCl = H+ + Cl-
+      log_k 6.29
+      delta_h -74.77 #kJ/mol
+#     Enthalpy of formation: -92.310   kJ/mol  89COX/WAG
+      -analytic -68.09142E-1 00E+0 39.05509E+2 00E+0 00E+0
+
+Hg(CH3)2(g)
+Hg(CH3)2 = -2 H+ + 2 CH4 + Hg+2
+      log_k -8.82 #18BLA/BUR
+      -analytic -88.2E-1 00E+0 00E+0 00E+0 00E+0
+
+N2(g)
+N2 = 12 H+ + 10 e- + 2 NO3- - 6 H2O
+      log_k -210.45
+      delta_h 1301.28 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic 17.52447E+0 00E+0 -67.97059E+3 00E+0 00E+0
 
 O2(g)
-O2     = 1.000O2
-     log_k    -2.900     
-     delta_h  -12.134    #kJ/mol        
-     # Enthalpy of formation:           0        #kJ/mol        
-     -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0
+O2 = O2
+      log_k -2.9
+      delta_h -12.134 #kJ/mol
+#     Enthalpy of formation: +0.000    kJ/mol  89COX/WAG
+      -analytic -50.25786E-1 00E+0 63.3803E+1 00E+0 00E+0
 
 SO2(g)
-SO2     = 2.000H+     + 1.000SO3-2     - 1.000H2O
-     log_k    -8.940     
-     delta_h  -48.420    #kJ/mol        
-     # Enthalpy of formation:           -296.81        #kJ/mol        #89COX/WAG
-     -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0
+SO2 = 2 H+ + SO3-2 - H2O
+      log_k -8.94
+      delta_h -48.42 #kJ/mol
+#     Enthalpy of formation: -296.810  kJ/mol  89COX/WAG
+      -analytic -17.42282E+0 00E+0 25.29153E+2 00E+0 00E+0
 
diff --git a/database/wateq4f.dat b/database/wateq4f.dat
index 8461c4bb..3e69cd86 100644
--- a/database/wateq4f.dat
+++ b/database/wateq4f.dat
@@ -1,1397 +1,1401 @@
-# $Id$ 
+# File 1 = C:\GitPrograms\phreeqc3-1\database\wateq4f.dat, 15/03/2024  15:31, 4032 lines, 106804 bytes, md5=b01313c8049bbc106fe5ce9b15afa3e2
+# Created 17 May 2024 14:30:45
+# c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "wateq4f.dat"
+
+# $Id$
 # Revised arsenic data from Archer and Nordstrom (2002)
 
 SOLUTION_MASTER_SPECIES
 
-Ag       Ag+            0.0     107.868         107.868
-Al       Al+3           0.0     26.9815         26.9815
-Alkalinity CO3-2        1.0     50.05           50.05
-As       H3AsO4        -1.0     74.9216         74.9216
-As(+3)   H3AsO3         0.0     74.9216         74.9216
-As(+5)   H3AsO4        -1.0     74.9216
-B        H3BO3          0.0     10.81           10.81
-Ba       Ba+2           0.0     137.34          137.34
-Br       Br-            0.0     79.904          79.904
-C        CO3-2          2.0     61.0173         12.0111
-C(+4)    CO3-2          2.0     61.0173
-C(-4)    CH4            0.0     16.042
-Ca       Ca+2           0.0     40.08           40.08
-Cd       Cd+2           0.0     112.4           112.4
-Cl       Cl-            0.0     35.453          35.453
-Cs       Cs+            0.0     132.905         132.905
-Cu       Cu+2           0.0     63.546          63.546
-Cu(+1)   Cu+1           0.0     63.546          
-Cu(+2)   Cu+2           0.0     63.546          
-E        e-             0.0     0.0             0.0
-F        F-             0.0     18.9984         18.9984
-Fe       Fe+2           0.0     55.847          55.847
-Fe(+2)   Fe+2           0.0     55.847
-Fe(+3)   Fe+3           -2.0    55.847
-Fulvate  Fulvate-2      0.0     650.            650.
-H        H+             -1.     1.008           1.008
-H(0)     H2             0.0     1.008
-H(1)     H+             -1.     1.008
-Humate   Humate-2       0.0     2000.           2000.
-I        I-             0.0     126.9044        126.9044
-K        K+             0.0     39.102          39.102
-Li       Li+            0.0     6.939           6.939
-Mg       Mg+2           0.0     24.312          24.312
-Mn       Mn+2           0.0     54.938          54.938
-Mn(2)    Mn+2           0.0     54.938
-Mn(3)    Mn+3           0.0     54.938
-Mn(6)    MnO4-2         0.0     54.938
-Mn(7)    MnO4-          0.0     54.938
-N        NO3-           0.0     14.0067         14.0067
-N(-3)    NH4+           0.0     14.0067
-N(0)     N2             0.0     14.0067
-N(+3)    NO2-           0.0     14.0067
-N(+5)    NO3-           0.0     14.0067
-Na       Na+            0.0     22.9898         22.9898
-Ni       Ni+2           0.0     58.71           58.71
-O        H2O            0.0     16.00           16.00
-O(-2)    H2O            0.0     18.016
-O(0)     O2             0.0     16.00
-P        PO4-3          2.0     30.9738         30.9738
-Pb       Pb+2           0.0     207.19          207.19
-Rb       Rb+            0.0     85.47           85.47
-S        SO4-2          0.0     96.0616         32.064
-S(-2)    H2S            0.0     32.064
-S(6)     SO4-2          0.0     96.0616
-Se       SeO4-2         0.0     78.96           78.96
-Se(-2)   HSe-           0.0     78.96
-Se(4)    SeO3-2         0.0     78.96
-Se(6)    SeO4-2         0.0     78.96
-Si       H4SiO4         0.0     60.0843         28.0843
-Sr       Sr+2           0.0     87.62           87.62
-Zn       Zn+2           0.0     65.37           65.37
-U        UO2+2          0.0     238.0290        238.0290
-U(3)     U+3            0.0     238.0290        238.0290
-U(4)     U+4            0.0     238.0290        238.0290
-U(5)     UO2+           0.0     238.0290        238.0290
-U(6)     UO2+2          0.0     238.0290        238.0290
+Ag Ag+ 0 107.868 107.868
+Al Al+3 0 26.9815 26.9815
+Alkalinity CO3-2 1 50.05 50.05
+As H3AsO4 -1 74.9216 74.9216
+As(+3) H3AsO3 0 74.9216 74.9216
+As(+5) H3AsO4 -1 74.9216
+B H3BO3 0 10.81 10.81
+Ba Ba+2 0 137.34 137.34
+Br Br- 0 79.904 79.904
+C CO3-2 2 61.0173 12.0111
+C(+4) CO3-2 2 61.0173
+C(-4) CH4 0 16.042
+Ca Ca+2 0 40.08 40.08
+Cd Cd+2 0 112.4 112.4
+Cl Cl- 0 35.453 35.453
+Cs Cs+ 0 132.905 132.905
+Cu Cu+2 0 63.546 63.546
+Cu(+1) Cu+1 0 63.546
+Cu(+2) Cu+2 0 63.546
+E e- 1 0 0
+F F- 0 18.9984 18.9984
+Fe Fe+2 0 55.847 55.847
+Fe(+2) Fe+2 0 55.847
+Fe(+3) Fe+3 -2 55.847
+Fulvate Fulvate-2 0 650 650
+H H+ -1 1.008 1.008
+H(0) H2 0 1.008
+H(1) H+ -1 1.008
+Humate Humate-2 0 2000 2000
+I I- 0 126.9044 126.9044
+K K+ 0 39.102 39.102
+Li Li+ 0 6.939 6.939
+Mg Mg+2 0 24.312 24.312
+Mn Mn+2 0 54.938 54.938
+Mn(2) Mn+2 0 54.938
+Mn(3) Mn+3 0 54.938
+Mn(6) MnO4-2 0 54.938
+Mn(7) MnO4- 0 54.938
+N NO3- 0 14.0067 14.0067
+N(-3) NH4+ 0 14.0067
+N(0) N2 0 14.0067
+N(+3) NO2- 0 14.0067
+N(+5) NO3- 0 14.0067
+Na Na+ 0 22.9898 22.9898
+Ni Ni+2 0 58.71 58.71
+O H2O 0 16 16
+O(-2) H2O 0 18.016
+O(0) O2 0 16
+P PO4-3 2 30.9738 30.9738
+Pb Pb+2 0 207.19 207.19
+Rb Rb+ 0 85.47 85.47
+S SO4-2 0 96.0616 32.064
+S(-2) H2S 0 32.064
+S(6) SO4-2 0 96.0616
+Se SeO4-2 0 78.96 78.96
+Se(-2) HSe- 0 78.96
+Se(4) SeO3-2 0 78.96
+Se(6) SeO4-2 0 78.96
+Si H4SiO4 0 60.0843 28.0843
+Sr Sr+2 0 87.62 87.62
+Zn Zn+2 0 65.37 65.37
+U UO2+2 0 238.029 238.029
+U(3) U+3 0 238.029 238.029
+U(4) U+4 0 238.029 238.029
+U(5) UO2+ 0 238.029 238.029
+U(6) UO2+2 0 238.029 238.029
 
 SOLUTION_SPECIES
 
 #H+ primary master species
         H+ = H+
-        log_k           0.0
-        -gamma    9.0    0.0
+        log_k 0
+        -gamma 9 0
 
 #e- primary master species
         e- = e-
-        log_k           0.0
+        log_k 0
 
 #H2O primary master species
         H2O = H2O
-        log_k           0.0
+        log_k 0
 
 #Ag+ primary master species
         Ag+ = Ag+
-        log_k           0.0
+        log_k 0
 
 #Al+3 primary master species
         Al+3 = Al+3
-        log_k           0.0
-        -gamma  9.0     0.0 
+        log_k 0
+        -gamma 9 0
 
 #H3AsO4 primary master species
         H3AsO4 = H3AsO4
-        log_k           0.0
+        log_k 0
 
 #H3BO3 primary master species
         H3BO3 = H3BO3
-        log_k           0.0
+        log_k 0
 
 #Ba+2 primary master species
         Ba+2 = Ba+2
-        log_k           0.0
-        -gamma  5.0     0.0 
+        log_k 0
+        -gamma 5 0
 
 #Br- primary master species
         Br- = Br-
-        log_k           0.0
+        log_k 0
 
 #CO3-2 primary master species
         CO3-2 = CO3-2
-        log_k           0.0
-        -gamma  5.4     0.0
+        log_k 0
+        -gamma 5.4 0
 
 #Ca+2 primary master species
         Ca+2 = Ca+2
-        log_k           0.0
-        -gamma  5.0     0.165
+        log_k 0
+        -gamma 5 0.165
 
 #Cd+2 primary master species
         Cd+2 = Cd+2
-        log_k           0.0
+        log_k 0
 
 #Cl- primary master species
         Cl- = Cl-
-        log_k           0.0
-        -gamma  3.5     0.015
+        log_k 0
+        -gamma 3.5 0.015
 
 #Cs+ primary master species
         Cs+ = Cs+
-        log_k           0.0
+        log_k 0
 
 #Cu+2 primary master species
         Cu+2 = Cu+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #F- primary master species
         F- = F-
-        log_k           0.0
-        -gamma  3.5     0.0 
+        log_k 0
+        -gamma 3.5 0
 
 #Fe+2 primary master species
         Fe+2 = Fe+2
-        log_k           0.0
-        -gamma  6.0     0.0
-        
+        log_k 0
+        -gamma 6 0
+
 #Fulvate-2 primary master species
         Fulvate-2 = Fulvate-2
-        log_k           0.0
+        log_k 0
 
 #Humate-2 primary master species
         Humate-2 = Humate-2
-        log_k           0.0
+        log_k 0
 
 #I- primary master species
         I- = I-
-        log_k           0.0
+        log_k 0
 
 #K+ primary master species
         K+ = K+
-        log_k           0.0
-        -gamma  3.5     0.015
+        log_k 0
+        -gamma 3.5 0.015
 
 #Li+ primary master species
         Li+ = Li+
-        log_k           0.0
-        -gamma  6.0     0.0 
+        log_k 0
+        -gamma 6 0
 
 #Mg+2 primary master species
         Mg+2 = Mg+2
-        log_k           0.0
-        -gamma  5.5     0.200
+        log_k 0
+        -gamma 5.5 0.2
 
 #Mn+2 primary master species
         Mn+2 = Mn+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #NO3- primary master species
         NO3- = NO3-
-        log_k           0.0
-        -gamma  3.0     0.0 
+        log_k 0
+        -gamma 3 0
 
 #Na+ primary master species
         Na+ = Na+
-        log_k           0.0
-        -gamma  4.0     0.075
+        log_k 0
+        -gamma 4 0.075
 
 #Ni+2 primary master species
         Ni+2 = Ni+2
-        log_k           0.0
+        log_k 0
 
 #PO4-3 primary master species
         PO4-3 = PO4-3
-        log_k           0.0
-        -gamma  5.0     0.0 
+        log_k 0
+        -gamma 5 0
 
 #Pb+2 primary master species
         Pb+2 = Pb+2
-        log_k           0.0
+        log_k 0
 
 #Rb+ primary master species
         Rb+ = Rb+
-        log_k           0.0
+        log_k 0
 
 #SO4-2 primary master species
         SO4-2 = SO4-2
-        log_k           0.0
-        -gamma  5.0     -0.040
+        log_k 0
+        -gamma 5 -0.04
 
 #SeO4-2 primary master species
         SeO4-2 = SeO4-2
-        log_k           0.0
+        log_k 0
 
 #H4SiO4 primary master species
         H4SiO4 = H4SiO4
-        log_k           0.0
+        log_k 0
 
 #Sr+2 primary master species
         Sr+2 = Sr+2
-        log_k           0.0
-        -gamma  5.26    0.121
+        log_k 0
+        -gamma 5.26 0.121
 
 #UO2+2 primary master species
         UO2+2 = UO2+2
-        log_k           0.0
+        log_k 0
 
 #Zn+2 primary master species
         Zn+2 = Zn+2
-        log_k           0.0
-        -gamma  6.0     0.0
+        log_k 0
+        -gamma 6 0
 
 #Fe+3 secondary master species  0
-        Fe+2 = Fe+3 + e- 
-        log_k           -13.020
-        delta_h 9.680 kcal
-        -gamma  9.0     0.0
+        Fe+2 = Fe+3 + e-
+        log_k -13.02
+        delta_h 9.68 kcal
+        -gamma 9 0
 
 #FeOH+2              1
-        Fe+3 + H2O = FeOH+2 + H+ 
-        log_k           -2.19
+        Fe+3 + H2O = FeOH+2 + H+
+        log_k -2.19
         delta_h 10.4 kcal
-        -gamma  5.0     0.0        
+        -gamma 5 0
 
 #FeOH+               2
-        Fe+2 + H2O = FeOH+ + H+ 
-        log_k           -9.5
+        Fe+2 + H2O = FeOH+ + H+
+        log_k -9.5
         delta_h 13.2 kcal
-        -gamma  5.0     0.0   
+        -gamma 5 0
 
 #Fe(OH)3-            3
-        Fe+2 + 3H2O = Fe(OH)3- + 3H+ 
-        log_k           -31.0
+        Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
+        log_k -31
         delta_h 30.3 kcal
-        -gamma  5.0     0.0   
+        -gamma 5 0
 
 #FeSO4+              4
-        Fe+3 + SO4-2 = FeSO4+ 
-        log_k           4.04
+        Fe+3 + SO4-2 = FeSO4+
+        log_k 4.04
         delta_h 3.91 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #FeCl+2              5
-        Fe+3 + Cl- = FeCl+2 
-        log_k           1.48
+        Fe+3 + Cl- = FeCl+2
+        log_k 1.48
         delta_h 5.6 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #FeCl2+              6
-        Fe+3 + 2Cl- = FeCl2+ 
-        log_k           2.13
+        Fe+3 + 2 Cl- = FeCl2+
+        log_k 2.13
 
 #FeCl3               7
-        Fe+3 + 3Cl- = FeCl3 
-        log_k           1.13
+        Fe+3 + 3 Cl- = FeCl3
+        log_k 1.13
 
 #FeSO4               8
-        Fe+2 + SO4-2 = FeSO4 
-        log_k           2.25
+        Fe+2 + SO4-2 = FeSO4
+        log_k 2.25
         delta_h 3.23 kcal
 
 #H3SiO4-             13
-        H4SiO4 = H3SiO4- + H+ 
-        log_k           -9.83
+        H4SiO4 = H3SiO4- + H+
+        log_k -9.83
         delta_h 6.12 kcal
-        -analytical     -302.3724       -0.050698       15669.69        108.18466       -1119669.0
-        -gamma  4.0     0.0 
+        -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669
+        -gamma 4 0
 
 #H2SiO4-2            14
-        H4SiO4 = H2SiO4-2 + 2H+
-        log_k           -23.0
+        H4SiO4 = H2SiO4-2 + 2 H+
+        log_k -23
         delta_h 17.6 kcal
-        -analytical -294.0184   -0.07265        11204.49        108.18466       -1119669.0
-        -gamma  5.4     0.0 
+        -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669
+        -gamma 5.4 0
 
 #HPO4-2              15
         H+ + PO4-3 = HPO4-2
-        log_k           12.346
+        log_k 12.346
         delta_h -3.53 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #H2PO4-              16
-        2H+ + PO4-3 = H2PO4-
-        log_k           19.553
+        2 H+ + PO4-3 = H2PO4-
+        log_k 19.553
         delta_h -4.52 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgF+                22
-        Mg+2 + F- = MgF+ 
-        log_k           1.82
+        Mg+2 + F- = MgF+
+        log_k 1.82
         delta_h 3.2 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #CaSO4               23
-        Ca+2 + SO4-2 = CaSO4 
-        log_k           2.3
+        Ca+2 + SO4-2 = CaSO4
+        log_k 2.3
         delta_h 1.65 kcal
 
 #MgOH+               24
-        Mg+2 + H2O = MgOH+ + H+ 
-        log_k           -11.44
+        Mg+2 + H2O = MgOH+ + H+
+        log_k -11.44
         delta_h 15.952 kcal
-        -gamma  6.5     0.0 
+        -gamma 6.5 0
 
 #H3BO3               25
         H3BO3 = H2BO3- + H+
-        log_k           -9.24
+        log_k -9.24
         delta_h 3.224 kcal
 #       -analytical 24.3919    0.012078   -1343.9    -13.2258
-        -gamma  2.5     0.0 
+        -gamma 2.5 0
 
 #NH3                 26
-        NH4+ = NH3 + H+ 
-        log_k           -9.252
+        NH4+ = NH3 + H+
+        log_k -9.252
         delta_h 12.48 kcal
-        -analytic    0.6322    -0.001225    -2835.76
-        -gamma  2.5     0.0 
+        -analytic 0.6322 -0.001225 -2835.76
+        -gamma 2.5 0
 
 #NaHPO4-             30
         Na+ + HPO4-2 = NaHPO4-
-        log_k           0.29
-        -gamma  5.4     0.0 
+        log_k 0.29
+        -gamma 5.4 0
 
 #KHPO4-              32
         K+ + HPO4-2 = KHPO4-
-        log_k           0.29
-        -gamma  5.4     0.0 
+        log_k 0.29
+        -gamma 5.4 0
 
 #MgHPO4              33
-        Mg+2 + HPO4-2 = MgHPO4 
-        log_k           2.87
+        Mg+2 + HPO4-2 = MgHPO4
+        log_k 2.87
         delta_h 3.3 kcal
 
 #CaHPO4              34
-        Ca+2 + HPO4-2 = CaHPO4 
-        log_k           2.739
+        Ca+2 + HPO4-2 = CaHPO4
+        log_k 2.739
         delta_h 3.3 kcal
 
 #CH4 secondary master species
         CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
-        log_k           41.071
-        delta_h -61.039  kcal
+        log_k 41.071
+        delta_h -61.039 kcal
 
 #H2CO3               35
-#       HCO3- + H+ = H2CO3 
+#       HCO3- + H+ = H2CO3
 #       log_k           6.351
 #       delta_h -2.247 kcal
 #       -analytical     356.3094        0.06091960      -21834.37       -126.8339       1684915.0
 
 #CO2     could be used instead of H2CO3
         CO3-2 + 2 H+ = CO2 + H2O
-        log_k           16.681
+        log_k 16.681
         delta_h -5.738 kcal
-        -analytical     464.1965       0.09344813  -26986.16    -165.75951      2248628.9
+        -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 
 #HCO3-               68
-        H+ + CO3-2 = HCO3- 
-        log_k           10.329
+        H+ + CO3-2 = HCO3-
+        log_k 10.329
         delta_h -3.561 kcal
-        -analytical     107.8871        0.03252849      -5151.79        -38.92561       563713.9
-        -gamma  5.4     0.0
+        -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9
+        -gamma 5.4 0
 
 #NaCO3-              69
-        Na+ + CO3-2 = NaCO3- 
-        log_k           1.27
+        Na+ + CO3-2 = NaCO3-
+        log_k 1.27
         delta_h 8.91 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #NaHCO3              70
-        Na+ + HCO3- = NaHCO3 
-        log_k           -0.25
+        Na+ + HCO3- = NaHCO3
+        log_k -0.25
 
 #NaSO4-              71
         Na+ + SO4-2 = NaSO4-
-        log_k           0.7
+        log_k 0.7
         delta_h 1.12 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #KSO4-               72
         K+ + SO4-2 = KSO4-
-        log_k           0.85
+        log_k 0.85
         delta_h 2.25 kcal
-        -analytical      3.106  0.0   -673.6
-        -gamma  5.4     0.0 
+        -analytical 3.106 0 -673.6
+        -gamma 5.4 0
 
 #MgCO3               73
-        Mg+2 + CO3-2 = MgCO3 
-        log_k           2.98
+        Mg+2 + CO3-2 = MgCO3
+        log_k 2.98
         delta_h 2.713 kcal
-        -analytical     0.9910          0.00667
+        -analytical 0.991 0.00667
 
 #MgHCO3+             74
         Mg+2 + HCO3- = MgHCO3+
-        log_k           1.07
+        log_k 1.07
         delta_h 0.79 kcal
-        -analytical     -59.215         0.0     2537.455        20.92298        0.0
-        -gamma  4.0     0.0 
+        -analytical -59.215 0 2537.455 20.92298 0
+        -gamma 4 0
 
 #MgSO4               75
-        Mg+2 + SO4-2 = MgSO4 
-        log_k           2.37
+        Mg+2 + SO4-2 = MgSO4
+        log_k 2.37
         delta_h 4.55 kcal
 
 #CaOH+               76
-        Ca+2 + H2O = CaOH+ + H+ 
-        log_k           -12.78
-        -gamma  6.0     0.0 
+        Ca+2 + H2O = CaOH+ + H+
+        log_k -12.78
+        -gamma 6 0
 
 #CaHCO3+             77
         Ca+2 + HCO3- = CaHCO3+
-        log_k           1.106
+        log_k 1.106
         delta_h 2.69 kcal
-        -analytical     1209.12         0.31294         -34765.05       -478.782        0.0
-        -gamma  6.0     0.0 
+        -analytical 1209.12 0.31294 -34765.05 -478.782 0
+        -gamma 6 0
 
 #CaCO3               78
-        Ca+2 + CO3-2 = CaCO3 
-        log_k           3.224
+        Ca+2 + CO3-2 = CaCO3
+        log_k 3.224
         delta_h 3.545 kcal
-        -analytical     -1228.732       -0.299444       35512.75        485.818         0.0
+        -analytical -1228.732 -0.299444 35512.75 485.818 0
 
 #SrHCO3+             79
-        Sr+2 + HCO3- = SrHCO3+ 
-        log_k           1.18
+        Sr+2 + HCO3- = SrHCO3+
+        log_k 1.18
         delta_h 6.05 kcal
-        -analytical     -3.248  0.014867        0.0     0.0     0.0
-        -gamma  5.4     0.0
+        -analytical -3.248 0.014867 0 0 0
+        -gamma 5.4 0
 
 #AlOH+2              80
-        Al+3 + H2O = AlOH+2 + H+ 
-        log_k           -5.0
+        Al+3 + H2O = AlOH+2 + H+
+        log_k -5
         delta_h 11.49 kcal
-        -analytical     -38.253         0.0     -656.27         14.327  0.0
-        -gamma  5.4     0.0 
+        -analytical -38.253 0 -656.27 14.327 0
+        -gamma 5.4 0
 
 #Al(OH)2+            81
-        Al+3 + 2H2O = Al(OH)2+ + 2H+ 
-        log_k           -10.1
+        Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+        log_k -10.1
         delta_h 26.9 kcal
-        -analytical     88.5    0.0     -9391.6         -27.121         0.0
-        -gamma  5.4     0.0 
+        -analytical 88.5 0 -9391.6 -27.121 0
+        -gamma 5.4 0
 
 #Al(OH)3             336
-        Al+3 + 3H2O = Al(OH)3 + 3H+ 
-        log_k           -16.9
+        Al+3 + 3 H2O = Al(OH)3 + 3 H+
+        log_k -16.9
         delta_h 39.89 kcal
-        -analytical     226.374         0.0     -18247.8        -73.597         0.0
+        -analytical 226.374 0 -18247.8 -73.597 0
 
 #Al(OH)4-            82
-        Al+3 + 4H2O = Al(OH)4- + 4H+ 
-        log_k           -22.7
+        Al+3 + 4 H2O = Al(OH)4- + 4 H+
+        log_k -22.7
         delta_h 42.3 kcal
-        -analytical     51.578          0.0     -11168.9        -14.865         0.0
-        -gamma  4.5     0.0 
+        -analytical 51.578 0 -11168.9 -14.865 0
+        -gamma 4.5 0
 
 #AlF+2               83
-        Al+3 + F- = AlF+2 
-        log_k           7.0
+        Al+3 + F- = AlF+2
+        log_k 7
         delta_h 1.06 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #AlF2+               84
-        Al+3 + 2F- = AlF2+ 
-        log_k           12.7
+        Al+3 + 2 F- = AlF2+
+        log_k 12.7
         delta_h 1.98 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #AlF3                85
-        Al+3 + 3F- = AlF3 
-        log_k           16.8
+        Al+3 + 3 F- = AlF3
+        log_k 16.8
         delta_h 2.16 kcal
 
 #AlF4-               86
-        Al+3 + 4F- = AlF4- 
-        log_k           19.4
+        Al+3 + 4 F- = AlF4-
+        log_k 19.4
         delta_h 2.2 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #AlSO4+              87
         Al+3 + SO4-2 = AlSO4+
-        log_k           3.5
+        log_k 3.5
         delta_h 2.29 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #Al(SO4)2-           88
-        Al+3 + 2SO4-2 = Al(SO4)2-
-        log_k           5.0
+        Al+3 + 2 SO4-2 = Al(SO4)2-
+        log_k 5
         delta_h 3.11 kcal
-        -gamma  4.5     0.0 
+        -gamma 4.5 0
 
 #HSO4-               89
-        H+ + SO4-2 = HSO4- 
-        log_k           1.988
+        H+ + SO4-2 = HSO4-
+        log_k 1.988
         delta_h 3.85 kcal
-        -analytical     -56.889         0.006473        2307.9          19.8858         0.0
-        -gamma  4.5     0.0 
+        -analytical -56.889 0.006473 2307.9 19.8858 0
+        -gamma 4.5 0
 
 #H2S secondary master species   90
-        SO4-2 + 10H+ + 8e- = H2S + 4H2O 
-        log_k           40.644
+        SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O
+        log_k 40.644
         delta_h -65.44 kcal
 
 #HS-                 91
-        H2S = HS- + H+ 
-        log_k           -6.994
+        H2S = HS- + H+
+        log_k -6.994
         delta_h 5.3 kcal
-        -analytical  11.17   -0.02386  -3279.0
-        -gamma  3.5     0.0 
+        -analytical 11.17 -0.02386 -3279
+        -gamma 3.5 0
 
 #S-2                 92
-        HS- = S-2 + H+ 
-        log_k           -12.918
+        HS- = S-2 + H+
+        log_k -12.918
         delta_h 12.1 kcal
-        -gamma  5.0     0.0 
+        -gamma 5 0
 
 #oxy                 93
-#       0.5H2O = 0.25O2 + H+ + e- 
+#       0.5H2O = 0.25O2 + H+ + e-
 #       log_k           -20.780
 #       delta_h 34.157000 kcal
 
 #O2 secondary master species
-        2H2O = O2 + 4H+ + 4e- 
-        log_k           -86.08
+        2 H2O = O2 + 4 H+ + 4 e-
+        log_k -86.08
         delta_h 134.79 kcal
 
 #H2 secondary master species
         2 H+ + 2 e- = H2
-        log_k           -3.15
+        log_k -3.15
         delta_h -1.759 kcal
 
 #Fe(OH)2+            102
-        Fe+3 + 2H2O = Fe(OH)2+ + 2H+ 
-        log_k           -5.67
+        Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+        log_k -5.67
         delta_h 17.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #Fe(OH)3             103
-        Fe+3 + 3H2O = Fe(OH)3 + 3H+ 
-        log_k           -12.56
+        Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+        log_k -12.56
         delta_h 24.8 kcal
 
 #Fe(OH)4-            104
-        Fe+3 + 4H2O = Fe(OH)4- + 4H+ 
-        log_k           -21.6
+        Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+        log_k -21.6
         delta_h 31.9 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #Fe(OH)2             105
-        Fe+2 + 2H2O = Fe(OH)2 + 2H+ 
-        log_k           -20.57
+        Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
+        log_k -20.57
         delta_h 28.565 kcal
 
 #FeH2PO4+            120
-        Fe+2 + H2PO4- = FeH2PO4+ 
-        log_k           2.7
-        -gamma  5.4     0.0 
+        Fe+2 + H2PO4- = FeH2PO4+
+        log_k 2.7
+        -gamma 5.4 0
 
 #CaPO4-              121
         Ca+2 + PO4-3 = CaPO4-
-        log_k           6.459
+        log_k 6.459
         delta_h 3.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #CaH2PO4+            122
         Ca+2 + H2PO4- = CaH2PO4+
-        log_k           1.408
+        log_k 1.408
         delta_h 3.4 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgPO4-              123
         Mg+2 + PO4-3 = MgPO4-
-        log_k           6.589
+        log_k 6.589
         delta_h 3.1 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #MgH2PO4+            124
         Mg+2 + H2PO4- = MgH2PO4+
-        log_k           1.513
+        log_k 1.513
         delta_h 3.4 kcal
-        -gamma  5.4     0.0 
+        -gamma 5.4 0
 
 #LiSO4-              126
         Li+ + SO4-2 = LiSO4-
-        log_k           0.64
-        -gamma  5.0     0.0 
+        log_k 0.64
+        -gamma 5 0
 
 #N2  secondary master species
         2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
-        log_k           207.080
-        delta_h -312.130 kcal
+        log_k 207.08
+        delta_h -312.13 kcal
 
 #NH4 secondary master species 127
-        NO3- + 10H+ + 8e- = NH4+ + 3H2O 
-        log_k           119.077
+        NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+        log_k 119.077
         delta_h -187.055 kcal
 
 #SrOH+               129
-        Sr+2 + H2O = SrOH+ + H+ 
-        log_k           -13.29
-        -gamma  5.0     0.0
+        Sr+2 + H2O = SrOH+ + H+
+        log_k -13.29
+        -gamma 5 0
 
 #BaOH+               130
-        Ba+2 + H2O = BaOH+ + H+ 
-        log_k           -13.47
-        -gamma  5.0     0.0 
+        Ba+2 + H2O = BaOH+ + H+
+        log_k -13.47
+        -gamma 5 0
 
 #NH4SO4-             131
-        NH4+ + SO4-2 = NH4SO4- 
-        log_k           1.11
-        -gamma  5.0     0.0
+        NH4+ + SO4-2 = NH4SO4-
+        log_k 1.11
+        -gamma 5 0
 
 #SrCO3               135
-        Sr+2 + CO3-2 = SrCO3 
-        log_k           2.81
+        Sr+2 + CO3-2 = SrCO3
+        log_k 2.81
         delta_h 5.22 kcal
-        -analytical     -1.019          0.012826        0.0     0.0     0.0
-        -gamma  5.0     0.0
+        -analytical -1.019 0.012826 0 0 0
+        -gamma 5 0
 
 #O2Sato              136
-#       0.5H2O = 0.25O2(aq) + H+ + e- 
+#       0.5H2O = 0.25O2(aq) + H+ + e-
 #       log_k           -11.385
 
 #CO2                 137
-#       CO2 (g) + H2O = H2CO3 
+#       CO2 (g) + H2O = H2CO3
 #        -1.468 -4.776  108.38650       0.01985076      -6919.530       -40.45154       -669365.0
 
 #FeHPO4              138
         Fe+2 + HPO4-2 = FeHPO4
-        log_k           3.6
+        log_k 3.6
 
 #FeHPO4+             139
-        Fe+3 + HPO4-2 = FeHPO4+ 
-        log_k           5.43
+        Fe+3 + HPO4-2 = FeHPO4+
+        log_k 5.43
         delta_h 5.76 kcal
-        -gamma  5.5     0.0   
+        -gamma 5.5 0
 
 #FeHSO4+             148
         Fe+2 + HSO4- = FeHSO4+
-        log_k           1.08
+        log_k 1.08
 
 #O2calc              151
-#       0.5H2O = 0.25O2(aq) + H+ + e- 
+#       0.5H2O = 0.25O2(aq) + H+ + e-
 #       log_k           -20.780
 #       delta_h 33.457 kcal
 
 #OH-                 152
-        H2O = OH- +  H+
-        log_k           -14.0
+        H2O = OH- + H+
+        log_k -14
         delta_h 13.362 kcal
-        -analytical     -283.971        -0.05069842     13323.0         102.24447       -1119669.0
-        -gamma  3.5     0.0 
+        -analytical -283.971 -0.05069842 13323 102.24447 -1119669
+        -gamma 3.5 0
 
 #FeH2PO4+2           156
         Fe+3 + H2PO4- = FeH2PO4+2
-        log_k           5.43
-        -gamma  5.4     0.0
+        log_k 5.43
+        -gamma 5.4 0
 
 #FeHSO4+2            159
-        Fe+3 + HSO4- = FeHSO4+2 
-        log_k           2.48
+        Fe+3 + HSO4- = FeHSO4+2
+        log_k 2.48
 
 #CaF+                160
-        Ca+2 + F- = CaF+ 
-        log_k           0.94
+        Ca+2 + F- = CaF+
+        log_k 0.94
         delta_h 4.12 kcal
-        -gamma  5.5     0.0
+        -gamma 5.5 0
 
 #BF(OH)3-            161
         H3BO3 + F- = BF(OH)3-
-        log_k           -0.4
+        log_k -0.4
         delta_h 1.85 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF2(OH)2-           162
-        H3BO3 + H+ + 2F- = BF2(OH)2- + H2O 
-        log_k           7.63
+        H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O
+        log_k 7.63
         delta_h 1.618 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF3OH-              163
-        H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O 
-        log_k           13.67
+        H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
+        log_k 13.67
         delta_h -1.614 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #BF4-                164
-        H3BO3 + 3H+ + 4F- = BF4- + 3H2O 
-        log_k           20.28
+        H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+        log_k 20.28
         delta_h -1.846 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #FeF+2               165
-        Fe+3 + F- = FeF+2 
-        log_k           6.2
+        Fe+3 + F- = FeF+2
+        log_k 6.2
         delta_h 2.7 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #FeF2+               166
-        Fe+3 + 2F- = FeF2+
-        log_k           10.8
+        Fe+3 + 2 F- = FeF2+
+        log_k 10.8
         delta_h 4.8 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #FeF3                167
-        Fe+3 + 3F- = FeF3
-        log_k           14.0
+        Fe+3 + 3 F- = FeF3
+        log_k 14
         delta_h 5.4 kcal
 
 #CaHSO4+             168
-        Ca+2 + HSO4- = CaHSO4+ 
-        log_k           1.08
+        Ca+2 + HSO4- = CaHSO4+
+        log_k 1.08
 
 #Mn+3 secondary master species   169
-        Mn+2 = Mn+3 + e- 
-        log_k           -25.51
+        Mn+2 = Mn+3 + e-
+        log_k -25.51
         delta_h 25.8 kcal
-        -gamma  9.0     0.0
+        -gamma 9 0
 
 #MnCl+               170
-        Mn+2 + Cl- = MnCl+ 
-        log_k           0.61
-        -gamma  5.0     0.0
+        Mn+2 + Cl- = MnCl+
+        log_k 0.61
+        -gamma 5 0
 
 #MnCl2               171
-        Mn+2 + 2Cl- = MnCl2
-        log_k           0.25
+        Mn+2 + 2 Cl- = MnCl2
+        log_k 0.25
 
 #MnCl3-              172
-        Mn+2 + 3Cl- = MnCl3-
-        log_k           -0.31
-        -gamma  5.0     0.0
+        Mn+2 + 3 Cl- = MnCl3-
+        log_k -0.31
+        -gamma 5 0
 
 #MnOH+               173
-        Mn+2 + H2O = MnOH+ + H+ 
-        log_k           -10.59
+        Mn+2 + H2O = MnOH+ + H+
+        log_k -10.59
         delta_h 14.4 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #Mn(OH)3-            174
-        Mn+2 + 3H2O = Mn(OH)3- + 3H+ 
-        log_k           -34.8
-        -gamma  5.0     0.0
+        Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
+        log_k -34.8
+        -gamma 5 0
 
 #MnF+                175
-        Mn+2 + F- = MnF+ 
-        log_k           0.84
-        -gamma  5.0     0.0
+        Mn+2 + F- = MnF+
+        log_k 0.84
+        -gamma 5 0
 
 #MnSO4               176
-        Mn+2 + SO4-2 = MnSO4 
-        log_k           2.25
+        Mn+2 + SO4-2 = MnSO4
+        log_k 2.25
         delta_h 3.37 kcal
 
 #Mn(NO3)2            177
-        Mn+2 + 2NO3- = Mn(NO3)2 
-        log_k           0.6
+        Mn+2 + 2 NO3- = Mn(NO3)2
+        log_k 0.6
         delta_h -0.396 kcal
 
 #MnHCO3+             178
         Mn+2 + HCO3- = MnHCO3+
-        log_k           1.95
-        -gamma  5.0     0.0
+        log_k 1.95
+        -gamma 5 0
 
 #MnO4- secondary master species   179
-        Mn+2 + 4H2O = MnO4- + 8H+ + 5e- 
-        log_k           -127.824
+        Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
+        log_k -127.824
         delta_h 176.62 kcal
-        -gamma  3.0     0.0
+        -gamma 3 0
 
 #MnO4-2 secondary master species   180
-        Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- 
-        log_k           -118.44
+        Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
+        log_k -118.44
         delta_h 150.02 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #SiF6-2              201
-        H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O 
-        log_k           30.18
+        H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+        log_k 30.18
         delta_h -16.26 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #HF                  202
-        H+ + F- = HF 
-        log_k           3.18
+        H+ + F- = HF
+        log_k 3.18
         delta_h 3.18 kcal
-        -analytical     -2.033          0.012645        429.01          0.0     0.0
+        -analytical -2.033 0.012645 429.01 0 0
 
 #HF2-                203
-        H+ + 2F- = HF2- 
-        log_k           3.76
+        H+ + 2 F- = HF2-
+        log_k 3.76
         delta_h 4.55 kcal
-        -gamma  3.5     0.0
+        -gamma 3.5 0
 
 #CuCl2-              206
 #       Cu+2 + 2Cl- + e- = CuCl2-
 #       log_k           8.220
 #       delta_h 1.230 kcal
-        Cu+ + 2Cl- = CuCl2-
-        log_k           5.50
+        Cu+ + 2 Cl- = CuCl2-
+        log_k 5.5
         delta_h -0.42 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl3-2             207
-#       Cu+2 + 3Cl- + e- = CuCl3-2 
+#       Cu+2 + 3Cl- + e- = CuCl3-2
 #       log_k           8.420
 #       delta_h 1.910 kcal
-        Cu+ + 3Cl- = CuCl3-2
-        log_k           5.70
+        Cu+ + 3 Cl- = CuCl3-2
+        log_k 5.7
         delta_h 0.26 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #Cu+ secondary master species  208
-        Cu+2 + e- = Cu+ 
-        log_k           2.72
+        Cu+2 + e- = Cu+
+        log_k 2.72
         delta_h 1.65 kcal
-        -gamma  2.5     0.0
+        -gamma 2.5 0
 
 #CuCO3               209
-        Cu+2 + CO3-2 = CuCO3 
-        log_k           6.73
+        Cu+2 + CO3-2 = CuCO3
+        log_k 6.73
 
 #Cu(CO3)2-2          210
-        Cu+2 + 2CO3-2 = Cu(CO3)2-2 
-        log_k           9.83
+        Cu+2 + 2 CO3-2 = Cu(CO3)2-2
+        log_k 9.83
 
 #CuCl+               211
-        Cu+2 + Cl- = CuCl+ 
-        log_k           0.43
+        Cu+2 + Cl- = CuCl+
+        log_k 0.43
         delta_h 8.65 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl2               212
-        Cu+2 + 2Cl- = CuCl2 
-        log_k           0.16
+        Cu+2 + 2 Cl- = CuCl2
+        log_k 0.16
         delta_h 10.56 kcal
 
 #CuCl3-              213
-        Cu+2 + 3Cl- = CuCl3-
-        log_k           -2.29
+        Cu+2 + 3 Cl- = CuCl3-
+        log_k -2.29
         delta_h 13.69 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #CuCl4-2             214
-        Cu+2 + 4Cl- = CuCl4-2
-        log_k           -4.59
+        Cu+2 + 4 Cl- = CuCl4-2
+        log_k -4.59
         delta_h 17.78 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #CuF+                215
-        Cu+2 + F- = CuF+ 
-        log_k           1.26
+        Cu+2 + F- = CuF+
+        log_k 1.26
         delta_h 1.62 kcal
 
 #CuOH+               216
-        Cu+2 + H2O = CuOH+ + H+ 
-        log_k           -8.0
-        -gamma  4.0     0.0
+        Cu+2 + H2O = CuOH+ + H+
+        log_k -8
+        -gamma 4 0
 
 #Cu(OH)2             217
-        Cu+2 + 2H2O = Cu(OH)2 + 2H+ 
-        log_k           -13.68
+        Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+        log_k -13.68
 
 #Cu(OH)3-            218
-        Cu+2 + 3H2O = Cu(OH)3- + 3H+ 
-        log_k           -26.9
+        Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+        log_k -26.9
 
 #Cu(OH)4-2           219
-        Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ 
-        log_k           -39.6
+        Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+        log_k -39.6
 
 #Cu2(OH)2+2          220
-        2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ 
-        log_k           -10.359
+        2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
+        log_k -10.359
         delta_h 17.539 kcal
-        -analytical     2.497   0.0     -3833.0         0.0     0.0
+        -analytical 2.497 0 -3833 0 0
 
 #CuSO4               221
-        Cu+2 + SO4-2 = CuSO4 
-        log_k           2.31
+        Cu+2 + SO4-2 = CuSO4
+        log_k 2.31
         delta_h 1.22 kcal
 
 #Cu(HS)3-            222
-        Cu+2 + 3HS- = Cu(HS)3-
-        log_k           25.9
+        Cu+2 + 3 HS- = Cu(HS)3-
+        log_k 25.9
 
 #ZnCl+               251
-        Zn+2 + Cl- = ZnCl+ 
-        log_k           0.43
+        Zn+2 + Cl- = ZnCl+
+        log_k 0.43
         delta_h 7.79 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #ZnCl2               252
-        Zn+2 + 2Cl- = ZnCl2
-        log_k           0.45
+        Zn+2 + 2 Cl- = ZnCl2
+        log_k 0.45
         delta_h 8.5 kcal
 
 #ZnCl3-              253
-        Zn+2 + 3Cl- = ZnCl3-
-        log_k           0.5
+        Zn+2 + 3 Cl- = ZnCl3-
+        log_k 0.5
         delta_h 9.56 kcal
-        -gamma  4.0     0.0
+        -gamma 4 0
 
 #ZnCl4-2             254
-        Zn+2 + 4Cl- = ZnCl4-2
-        log_k           0.2
+        Zn+2 + 4 Cl- = ZnCl4-2
+        log_k 0.2
         delta_h 10.96 kcal
-        -gamma  5.0     0.0
+        -gamma 5 0
 
 #ZnF+                255
-        Zn+2 + F- = ZnF+ 
-        log_k           1.15
+        Zn+2 + F- = ZnF+
+        log_k 1.15
         delta_h 2.22 kcal
 
 #ZnOH+               256
-        Zn+2 + H2O = ZnOH+ + H+ 
-        log_k           -8.96
+        Zn+2 + H2O = ZnOH+ + H+
+        log_k -8.96
         delta_h 13.4 kcal
 
 #Zn(OH)2             257
-        Zn+2 + 2H2O = Zn(OH)2 + 2H+ 
-        log_k           -16.9
+        Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+        log_k -16.9
 
 #Zn(OH)3-            258
-        Zn+2 + 3H2O = Zn(OH)3- + 3H+ 
-        log_k           -28.4
+        Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+        log_k -28.4
 
 #Zn(OH)4-2           259
-        Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ 
-        log_k           -41.2
+        Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+        log_k -41.2
 
 #ZnOHCl              260
-        Zn+2 + H2O + Cl- = ZnOHCl + H+ 
-        log_k           -7.48
+        Zn+2 + H2O + Cl- = ZnOHCl + H+
+        log_k -7.48
 
 #Zn(HS)2             261
-        Zn+2 + 2HS- = Zn(HS)2
-        log_k           14.94
+        Zn+2 + 2 HS- = Zn(HS)2
+        log_k 14.94
 
 #Zn(HS)3-            262
-        Zn+2 + 3HS- = Zn(HS)3-
-        log_k           16.1
+        Zn+2 + 3 HS- = Zn(HS)3-
+        log_k 16.1
 
 #ZnSO4               263
-        Zn+2 + SO4-2 = ZnSO4 
-        log_k           2.37
+        Zn+2 + SO4-2 = ZnSO4
+        log_k 2.37
         delta_h 1.36 kcal
 
 #Zn(SO4)2-2          264
-        Zn+2 + 2SO4-2 = Zn(SO4)2-2 
-        log_k           3.28
+        Zn+2 + 2 SO4-2 = Zn(SO4)2-2
+        log_k 3.28
 
 #CdCl+               294
-        Cd+2 + Cl- = CdCl+ 
-        log_k           1.98
+        Cd+2 + Cl- = CdCl+
+        log_k 1.98
         delta_h 0.59 kcal
 
 #CdCl2               295
-        Cd+2 + 2Cl- = CdCl2
-        log_k           2.6
+        Cd+2 + 2 Cl- = CdCl2
+        log_k 2.6
         delta_h 1.24 kcal
 
 #CdCl3-              296
-        Cd+2 + 3Cl- = CdCl3-
-        log_k           2.4
+        Cd+2 + 3 Cl- = CdCl3-
+        log_k 2.4
         delta_h 3.9 kcal
 
 #CdF+                297
-        Cd+2 + F- = CdF+ 
-        log_k           1.1
+        Cd+2 + F- = CdF+
+        log_k 1.1
 
 #CdF2                298
-        Cd+2 + 2F- = CdF2
-        log_k           1.5
+        Cd+2 + 2 F- = CdF2
+        log_k 1.5
 
 #Cd(CO3)2-2          299
-        Cd+2 + 2CO3-2 = Cd(CO3)2-2
-        log_k           6.4
+        Cd+2 + 2 CO3-2 = Cd(CO3)2-2
+        log_k 6.4
 
 #CdOH+               300
-        Cd+2 + H2O = CdOH+ + H+ 
-        log_k           -10.08
+        Cd+2 + H2O = CdOH+ + H+
+        log_k -10.08
         delta_h 13.1 kcal
 
 #Cd(OH)2             301
-        Cd+2 + 2H2O = Cd(OH)2 + 2H+ 
-        log_k           -20.35
+        Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+        log_k -20.35
 
 #Cd(OH)3-            302
-        Cd+2 + 3H2O = Cd(OH)3- + 3H+ 
-        log_k           -33.3
+        Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+        log_k -33.3
 
 #Cd(OH)4-2           303
-        Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ 
-        log_k           -47.35
+        Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+        log_k -47.35
 
 #Cd2OH+3             304
-        2Cd+2 + H2O = Cd2OH+3 + H+ 
-        log_k           -9.39
+        2 Cd+2 + H2O = Cd2OH+3 + H+
+        log_k -9.39
         delta_h 10.9 kcal
 
 #CdOHCl              305
-        Cd+2 + H2O + Cl- = CdOHCl + H+ 
-        log_k           -7.404
+        Cd+2 + H2O + Cl- = CdOHCl + H+
+        log_k -7.404
         delta_h 4.355 kcal
 
 #CdNO3+              306
         Cd+2 + NO3- = CdNO3+
-        log_k           0.4
+        log_k 0.4
         delta_h -5.2 kcal
 
 #CdSO4               307
-        Cd+2 + SO4-2 = CdSO4 
-        log_k           2.46
+        Cd+2 + SO4-2 = CdSO4
+        log_k 2.46
         delta_h 1.08 kcal
 
 #CdHS+               308
-        Cd+2 + HS- = CdHS+ 
-        log_k           10.17
+        Cd+2 + HS- = CdHS+
+        log_k 10.17
 
 #Cd(HS)2             309
-        Cd+2 + 2HS- = Cd(HS)2 
-        log_k           16.53
+        Cd+2 + 2 HS- = Cd(HS)2
+        log_k 16.53
 
 #Cd(HS)3-            310
-        Cd+2 + 3HS- = Cd(HS)3-
-        log_k           18.71
+        Cd+2 + 3 HS- = Cd(HS)3-
+        log_k 18.71
 
 #Cd(HS)4-2           311
-        Cd+2 + 4HS- = Cd(HS)4-2
-        log_k           20.9
+        Cd+2 + 4 HS- = Cd(HS)4-2
+        log_k 20.9
 
 #Fe(SO4)2-           333
-        Fe+3 + 2SO4-2 = Fe(SO4)2- 
-        log_k           5.38
+        Fe+3 + 2 SO4-2 = Fe(SO4)2-
+        log_k 5.38
         delta_h 4.6 kcal
 
 #Fe2(OH)2+4          334
-        2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ 
-        log_k           -2.95
+        2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+        log_k -2.95
         delta_h 13.5 kcal
 
 #Fe3(OH)4+5          335
-        3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ 
-        log_k           -6.3
+        3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+        log_k -6.3
         delta_h 14.3 kcal
 
 #PbCl+               341
-        Pb+2 + Cl- = PbCl+ 
-        log_k           1.6
+        Pb+2 + Cl- = PbCl+
+        log_k 1.6
         delta_h 4.38 kcal
 
 #PbCl2               342
-        Pb+2 + 2Cl- = PbCl2
-        log_k           1.8
+        Pb+2 + 2 Cl- = PbCl2
+        log_k 1.8
         delta_h 1.08 kcal
 
 #PbCl3-              343
-        Pb+2 + 3Cl- = PbCl3-
-        log_k           1.7
+        Pb+2 + 3 Cl- = PbCl3-
+        log_k 1.7
         delta_h 2.17 kcal
 
 #PbCl4-2             344
-        Pb+2 + 4Cl- = PbCl4-2
-        log_k           1.38
+        Pb+2 + 4 Cl- = PbCl4-2
+        log_k 1.38
         delta_h 3.53 kcal
 
 #Pb(CO3)2-2          345
-        Pb+2 + 2CO3-2 = Pb(CO3)2-2 
-        log_k           10.64
+        Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+        log_k 10.64
 
 #PbF+                346
-        Pb+2 + F- = PbF+ 
-        log_k           1.25
+        Pb+2 + F- = PbF+
+        log_k 1.25
 
 #PbF2                347
-        Pb+2 + 2F- = PbF2
-        log_k           2.56
+        Pb+2 + 2 F- = PbF2
+        log_k 2.56
 
 #PbF3-               348
-        Pb+2 + 3F- = PbF3-
-        log_k           3.42
+        Pb+2 + 3 F- = PbF3-
+        log_k 3.42
 
 #PbF4-2              349
-        Pb+2 + 4F- = PbF4-2
-        log_k           3.1
+        Pb+2 + 4 F- = PbF4-2
+        log_k 3.1
 
 #PbOH+               350
-        Pb+2 + H2O = PbOH+ + H+ 
-        log_k           -7.71
+        Pb+2 + H2O = PbOH+ + H+
+        log_k -7.71
 
 #Pb(OH)2             351
-        Pb+2 + 2H2O = Pb(OH)2 + 2H+ 
-        log_k           -17.12
+        Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+        log_k -17.12
 
 #Pb(OH)3-            352
-        Pb+2 + 3H2O = Pb(OH)3- + 3H+ 
-        log_k           -28.06
+        Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+        log_k -28.06
 
 #Pb2OH+3             353
-        2Pb+2 + H2O = Pb2OH+3 + H+ 
-        log_k           -6.36
+        2 Pb+2 + H2O = Pb2OH+3 + H+
+        log_k -6.36
 
 #PbNO3+              354
         Pb+2 + NO3- = PbNO3+
-        log_k           1.17
+        log_k 1.17
 
 #PbSO4               355
-        Pb+2 + SO4-2 = PbSO4 
-        log_k           2.75
+        Pb+2 + SO4-2 = PbSO4
+        log_k 2.75
 
 #Pb(HS)2             356
-        Pb+2 + 2HS- = Pb(HS)2 
-        log_k           15.27
+        Pb+2 + 2 HS- = Pb(HS)2
+        log_k 15.27
 
 #Pb(HS)3-            357
-        Pb+2 + 3HS- = Pb(HS)3-
-        log_k           16.57
+        Pb+2 + 3 HS- = Pb(HS)3-
+        log_k 16.57
 
 #Pb3(OH)4+2          358
-        3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ 
-        log_k           -23.88
+        3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
+        log_k -23.88
         delta_h 26.5 kcal
 
 #FeF+                359
-        Fe+2 + F- = FeF+ 
-        log_k           1.0
+        Fe+2 + F- = FeF+
+        log_k 1
 
 #AlHSO4+2            397
-        Al+3 + HSO4- = AlHSO4+2 
-        log_k           0.46
+        Al+3 + HSO4- = AlHSO4+2
+        log_k 0.46
 
 #NO2 secondary master species   400
-        NO3- + 2H+ + 2e- = NO2- + H2O 
-        log_k           28.57
+        NO3- + 2 H+ + 2 e- = NO2- + H2O
+        log_k 28.57
         delta_h -43.76 kcal
 
 #NiBr+               403
-        Ni+2 + Br- = NiBr+ 
-        log_k           0.5
+        Ni+2 + Br- = NiBr+
+        log_k 0.5
 
 #NiCl+               404
-        Ni+2 + Cl- = NiCl+ 
-        log_k           0.4
+        Ni+2 + Cl- = NiCl+
+        log_k 0.4
 
 #NiF+                405
-        Ni+2 + F- = NiF+ 
-        log_k           1.3
+        Ni+2 + F- = NiF+
+        log_k 1.3
 
 #NiOH+               406
-        Ni+2 + H2O = NiOH+ + H+ 
-        log_k           -9.86
+        Ni+2 + H2O = NiOH+ + H+
+        log_k -9.86
         delta_h 12.42 kcal
 
 #Ni(OH)2             407
-        Ni+2 + 2H2O = Ni(OH)2 + 2H+ 
-        log_k           -19.0
+        Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
+        log_k -19
 
 #Ni(OH)3-            408
-        Ni+2 + 3H2O = Ni(OH)3- + 3H+ 
-        log_k           -30.0
+        Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
+        log_k -30
 
 #NiSO4               409
-        Ni+2 + SO4-2 = NiSO4 
-        log_k           2.29
+        Ni+2 + SO4-2 = NiSO4
+        log_k 2.29
         delta_h 1.52 kcal
 
 #AgBr                421
         Ag+ + Br- = AgBr
-        log_k           4.24
+        log_k 4.24
 
 #AgBr2-              422
-        Ag+ + 2Br- = AgBr2- 
-        log_k           7.28
+        Ag+ + 2 Br- = AgBr2-
+        log_k 7.28
 
 #AgCl                423
         Ag+ + Cl- = AgCl
-        log_k           3.27
+        log_k 3.27
         delta_h -2.68 kcal
 
 #AgCl2-              424
-        Ag+ + 2Cl- = AgCl2- 
-        log_k           5.27
+        Ag+ + 2 Cl- = AgCl2-
+        log_k 5.27
         delta_h -3.93 kcal
 
 #AgCl3-2             425
-        Ag+ + 3Cl- = AgCl3-2
-        log_k           5.29
+        Ag+ + 3 Cl- = AgCl3-2
+        log_k 5.29
 
 #AgCl4-3             426
-        Ag+ + 4Cl- = AgCl4-3
-        log_k           5.51
+        Ag+ + 4 Cl- = AgCl4-3
+        log_k 5.51
 
 #AgF                 427
         Ag+ + F- = AgF
-        log_k           0.36
+        log_k 0.36
         delta_h -2.83 kcal
 
 #AgHS                428
-        Ag+ + HS- = AgHS 
-        log_k           14.05
+        Ag+ + HS- = AgHS
+        log_k 14.05
 
 #Ag(HS)2-            429
-        Ag+ + 2HS- = Ag(HS)2-
-        log_k           18.45
+        Ag+ + 2 HS- = Ag(HS)2-
+        log_k 18.45
 
 #AgI                 430
         Ag+ + I- = AgI
-        log_k           6.6
+        log_k 6.6
 
 #AgI2-               431
-        Ag+ + 2I- = AgI2- 
-        log_k           10.68
+        Ag+ + 2 I- = AgI2-
+        log_k 10.68
 
 #AgOH                432
-        Ag+ + H2O = AgOH + H+ 
-        log_k           -12.0
+        Ag+ + H2O = AgOH + H+
+        log_k -12
 
 #Ag(OH)2-            433
-        Ag+ + 2H2O = Ag(OH)2- + 2H+ 
-        log_k           -24.0
+        Ag+ + 2 H2O = Ag(OH)2- + 2 H+
+        log_k -24
 
 #AgSO4-              434
         Ag+ + SO4-2 = AgSO4-
-        log_k           1.29
+        log_k 1.29
         delta_h 1.49 kcal
 
 #AgNO3               435
         Ag+ + NO3- = AgNO3
-        log_k           -0.29
+        log_k -0.29
 
 #Ag(NO2)2-           436
-        Ag+ + 2NO2- = Ag(NO2)2-
-        log_k           2.22
+        Ag+ + 2 NO2- = Ag(NO2)2-
+        log_k 2.22
 
 #ZnBr+               447
-        Zn+2 + Br- = ZnBr+ 
-        log_k           -0.58
+        Zn+2 + Br- = ZnBr+
+        log_k -0.58
 
 #ZnBr2               448
-        Zn+2 + 2Br- = ZnBr2
-        log_k           -0.98
+        Zn+2 + 2 Br- = ZnBr2
+        log_k -0.98
 
 #ZnI+                449
-        Zn+2 + I- = ZnI+ 
-        log_k           -2.91
+        Zn+2 + I- = ZnI+
+        log_k -2.91
 
 #ZnI2                450
-        Zn+2 + 2I- = ZnI2
-        log_k           -1.69
+        Zn+2 + 2 I- = ZnI2
+        log_k -1.69
 
 #CdBr+               451
-        Cd+2 + Br- = CdBr+ 
-        log_k           2.17
+        Cd+2 + Br- = CdBr+
+        log_k 2.17
         delta_h -0.81 kcal
 
 #CdBr2               452
-        Cd+2 + 2Br- = CdBr2
-        log_k           2.9
+        Cd+2 + 2 Br- = CdBr2
+        log_k 2.9
 
 #CdI+                453
-        Cd+2 + I- = CdI+ 
-        log_k           2.15
+        Cd+2 + I- = CdI+
+        log_k 2.15
         delta_h -2.37 kcal
 
 #CdI2                454
-        Cd+2 + 2I- = CdI2
-        log_k           3.59
+        Cd+2 + 2 I- = CdI2
+        log_k 3.59
 
 #PbBr+               455
-        Pb+2 + Br- = PbBr+ 
-        log_k           1.77
+        Pb+2 + Br- = PbBr+
+        log_k 1.77
         delta_h 2.88 kcal
 
 #PbBr2               456
-        Pb+2 + 2Br- = PbBr2 
-        log_k           1.44
+        Pb+2 + 2 Br- = PbBr2
+        log_k 1.44
 
 #PbI+                457
-        Pb+2 + I- = PbI+ 
-        log_k           1.94
+        Pb+2 + I- = PbI+
+        log_k 1.94
 
 #PbI2                458
-        Pb+2 + 2I- = PbI2
-        log_k           3.2
+        Pb+2 + 2 I- = PbI2
+        log_k 3.2
 
 #PbCO3               468
-        Pb+2 + CO3-2 = PbCO3 
-        log_k           7.24
+        Pb+2 + CO3-2 = PbCO3
+        log_k 7.24
 
 #Pb(OH)4-2           469
-        Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ 
-        log_k           -39.7
+        Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+        log_k -39.7
 
 #Pb(SO4)2-2          470
-        Pb+2 + 2SO4-2 = Pb(SO4)2-2 
-        log_k           3.47
+        Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+        log_k 3.47
 
 #AgBr3-2             473
-        Ag+ + 3Br- = AgBr3-2
-        log_k           8.71
+        Ag+ + 3 Br- = AgBr3-2
+        log_k 8.71
 
 #AgI3-2              474
-        Ag+ + 3I- = AgI3-2
-        log_k           13.37
+        Ag+ + 3 I- = AgI3-2
+        log_k 13.37
         delta_h -27.03 kcal
 
 #AgI4-3              475
-        Ag+ + 4I- = AgI4-3
-        log_k           14.08
+        Ag+ + 4 I- = AgI4-3
+        log_k 14.08
 
 #Fe(HS)2             476
-        Fe+2 + 2HS- = Fe(HS)2
-        log_k           8.95
+        Fe+2 + 2 HS- = Fe(HS)2
+        log_k 8.95
 
 #Fe(HS)3-            477
-        Fe+2 + 3HS- = Fe(HS)3-
-        log_k           10.987
+        Fe+2 + 3 HS- = Fe(HS)3-
+        log_k 10.987
 
 #H2AsO3- 		478	
 	H3AsO3 = H2AsO3- + H+
-	log_k	-9.15
-	delta_h	27.54	kJ
+	log_k -9.15
+	delta_h 27.54 kJ
 
 #HAsO3-2 		479	
-	H3AsO3 = HAsO3-2 + 2H+
-	log_k	-23.85
-	delta_h	59.41	kJ
+	H3AsO3 = HAsO3-2 + 2 H+
+	log_k -23.85
+	delta_h 59.41 kJ
 
 #AsO3-3 		480	
-	H3AsO3 = AsO3-3 + 3H+
-	log_k	-39.55
-	delta_h	84.73	kJ
+	H3AsO3 = AsO3-3 + 3 H+
+	log_k -39.55
+	delta_h 84.73 kJ
 
 #H4AsO3+             481
-  H3AsO3 + H+ = H4AsO3+ 
-  log_k           -0.305
+  H3AsO3 + H+ = H4AsO3+
+  log_k -0.305
 
 #H2AsO4- 		482	
 	H3AsO4 = H2AsO4- + H+
-	log_k	-2.3
-	delta_h	-7.066	kJ
+	log_k -2.3
+	delta_h -7.066 kJ
 
 #HAsO4-2 		483	
-	H3AsO4 = HAsO4-2 + 2H+
-	log_k	-9.46
-	delta_h	-3.846	kJ
+	H3AsO4 = HAsO4-2 + 2 H+
+	log_k -9.46
+	delta_h -3.846 kJ
 
 #AsO43- 		484	
-	H3AsO4 = AsO4-3 + 3H+
-	log_k	-21.11
-	delta_h	14.354	kJ
+	H3AsO4 = AsO4-3 + 3 H+
+	log_k -21.11
+	delta_h 14.354 kJ
 
 #As3  secondary master species   487
 	H3AsO4 + H2 = H3AsO3 + H2O
-	log_k	22.5
-	delta_h	-117.480344	kJ
+	log_k 22.5
+	delta_h -117.480344 kJ
 
 #As3S4(HS)-2 		631	
-	3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O
-	log_k	72.314
-        -gamma  5.0     0.0
+	3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O
+	log_k 72.314
+        -gamma 5 0
 
 #AsS(OH)(HS)- 		637	
-	H3AsO3 + 2HS-  + H+ = AsS(OH)(HS)- + 2H2O
-	log_k	18.038
-        -gamma  5.0     0.0
+	H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O
+	log_k 18.038
+        -gamma 5 0
 
 #
-#  TURNING OFF CHECKING FOR EQUATION BALANCE FOR 
+#  TURNING OFF CHECKING FOR EQUATION BALANCE FOR
 #  POLYSULFIDES
 #
 
@@ -1406,73 +1410,73 @@ SOLUTION_SPECIES
 #       Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S
 #       log_k           5.382
 #       -no_check
-#       -mass_balance CuS(-2)9  
+#       -mass_balance CuS(-2)9
 #       -gamma  25.0    0.0
 
 #As3/As5             487
-#       H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- 
+#       H3AsO3 + H2O = H3AsO4 + 2H+ + 2e-
 #       log_k           -18.897
 #       delta_h 30.015 kcal
 
 #S2-2                502
-        HS- = S2-2 + H+                 # (lhs) +S
-        log_k           -14.528
+        HS- = S2-2 + H+ # (lhs) +S
+        log_k -14.528
         delta_h 11.4 kcal
         -no_check
-        -mass_balance   S(-2)2
-        -gamma  6.5     0.0
+        -mass_balance S(-2)2
+        -gamma 6.5 0
 
 #S3-2                503
-        HS- = S3-2 + H+                 # (lhs) +2S
-        log_k           -13.282
+        HS- = S3-2 + H+ # (lhs) +2S
+        log_k -13.282
         delta_h 10.4 kcal
         -no_check
-        -mass_balance   S(-2)3
-        -gamma  8.0     0.0
+        -mass_balance S(-2)3
+        -gamma 8 0
 
 #S4-2                504
-        HS- = S4-2 + H+                 # (lhs) +3S
-        log_k           -9.829
+        HS- = S4-2 + H+ # (lhs) +3S
+        log_k -9.829
         delta_h 9.7 kcal
         -no_check
-        -mass_balance   S(-2)4
-        -gamma  10.0    0.0
+        -mass_balance S(-2)4
+        -gamma 10 0
 
 #S5-2                505
-        HS- = S5-2 + H+                 # (lhs) +4S
-        log_k           -9.595
+        HS- = S5-2 + H+ # (lhs) +4S
+        log_k -9.595
         delta_h 9.3 kcal
         -no_check
-        -mass_balance   S(-2)5
-        -gamma  12.0    0.0
+        -mass_balance S(-2)5
+        -gamma 12 0
 
 #S6-2                506
-        HS- = S6-2 + H+                 # (lhs) +5S
-        log_k           -9.881
+        HS- = S6-2 + H+ # (lhs) +5S
+        log_k -9.881
         -no_check
-        -mass_balance   S(-2)6
-        -gamma  14.0    0.0
+        -mass_balance S(-2)6
+        -gamma 14 0
 
 #Ag(S4)2-3           507
-        Ag+ + 2HS- = Ag(S4)2-3 + 2H+    # (lhs) +6S
-        log_k           0.991
+        Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S
+        log_k 0.991
         -no_check
-        -mass_balance   AgS(-2)8
-        -gamma  22.0    0.0
+        -mass_balance AgS(-2)8
+        -gamma 22 0
 
 #Ag(S4)S5-3          508
-        Ag+ + 2HS- = Ag(S4)S5-3 + 2H+   # (lhs) +7S
-        log_k           0.68
+        Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S
+        log_k 0.68
         -no_check
-        -mass_balance   AgS(-2)9
-        -gamma  24.0    0.0
+        -mass_balance AgS(-2)9
+        -gamma 24 0
 
 #AgHS(S4)-2          509                # (lhs) +3S
-        Ag+ + 2HS- = AgHS(S4)-2 + H+
-        log_k           10.43
+        Ag+ + 2 HS- = AgHS(S4)-2 + H+
+        log_k 10.43
         -no_check
-        -mass_balance   AgHS(-2)5
-        -gamma  15.0    0.0
+        -mass_balance AgHS(-2)5
+        -gamma 15 0
 
 #
 #       END OF POLYSULFIDES
@@ -1480,99 +1484,99 @@ SOLUTION_SPECIES
 
 #CuHCO3+             510
         Cu+2 + HCO3- = CuHCO3+
-        log_k           2.7
+        log_k 2.7
 
 #ZnHCO3+             511
         Zn+2 + HCO3- = ZnHCO3+
-        log_k           2.1
+        log_k 2.1
 
 #ZnCO3               512
-        Zn+2 + CO3-2 = ZnCO3 
-        log_k           5.3
+        Zn+2 + CO3-2 = ZnCO3
+        log_k 5.3
 
 #Zn(CO3)2-2          513
-        Zn+2 + 2CO3-2 = Zn(CO3)2-2 
-        log_k           9.63
+        Zn+2 + 2 CO3-2 = Zn(CO3)2-2
+        log_k 9.63
 
 #CdHCO3              514
         Cd+2 + HCO3- = CdHCO3+
-        log_k           1.5
+        log_k 1.5
 
 #CdCO3               515
-        Cd+2 + CO3-2 = CdCO3 
-        log_k           2.9
+        Cd+2 + CO3-2 = CdCO3
+        log_k 2.9
 
 #Cd(SO4)2-2          516
-        Cd+2 + 2SO4-2 = Cd(SO4)2-2 
-        log_k           3.5
+        Cd+2 + 2 SO4-2 = Cd(SO4)2-2
+        log_k 3.5
 
 #PbHCO3+             517
         Pb+2 + HCO3- = PbHCO3+
-        log_k           2.9
+        log_k 2.9
 
 #NiCl2               518
-        Ni+2 + 2Cl- = NiCl2
-        log_k           0.96
+        Ni+2 + 2 Cl- = NiCl2
+        log_k 0.96
 
 #NiHCO3+             519
         Ni+2 + HCO3- = NiHCO3+
-        log_k           2.14
+        log_k 2.14
 
 #NiCO3               520
-        Ni+2 + CO3-2 = NiCO3 
-        log_k           6.87
+        Ni+2 + CO3-2 = NiCO3
+        log_k 6.87
 
 #Ni(CO3)2-2          521
-        Ni+2 + 2CO3-2 = Ni(CO3)2-2 
-        log_k           10.11
+        Ni+2 + 2 CO3-2 = Ni(CO3)2-2
+        log_k 10.11
 
 #Ni(SO4)2-2          522
-        Ni+2 + 2SO4-2 = Ni(SO4)2-2 
-        log_k           1.02
+        Ni+2 + 2 SO4-2 = Ni(SO4)2-2
+        log_k 1.02
 
 #HFulvate            523
-        H+ + Fulvate-2 = HFulvate- 
-        log_k           4.27
+        H+ + Fulvate-2 = HFulvate-
+        log_k 4.27
 
 #HHumate             524
-        H+ + Humate-2 = HHumate- 
-        log_k           4.27
+        H+ + Humate-2 = HHumate-
+        log_k 4.27
 
 #FeFulvate           525
-        Fe+3 + Fulvate-2 = FeFulvate+ 
-        log_k           9.4
+        Fe+3 + Fulvate-2 = FeFulvate+
+        log_k 9.4
 
 #FeHumate            526
-        Fe+3 + Humate-2 = FeHumate+ 
-        log_k           9.4
+        Fe+3 + Humate-2 = FeHumate+
+        log_k 9.4
 
 #CuFulvate           527
         Cu+2 + Fulvate-2 = CuFulvate
-        log_k           6.2
+        log_k 6.2
 
 #CuHumate            528
         Cu+2 + Humate-2 = CuHumate
-        log_k           6.2
+        log_k 6.2
 
 #CdFulvate           529
         Cd+2 + Fulvate-2 = CdFulvate
-        log_k           3.5
+        log_k 3.5
 
 #CdHumate            530
         Cd+2 + Humate-2 = CdHumate
-        log_k           3.5
+        log_k 3.5
 
 #AgFulvate           531
-        Ag+ + Fulvate-2 = AgFulvate- 
-        log_k           2.4
+        Ag+ + Fulvate-2 = AgFulvate-
+        log_k 2.4
 
 #AgHumate            532
-        Ag+ + Humate-2 = AgHumate- 
-        log_k           2.4
+        Ag+ + Humate-2 = AgHumate-
+        log_k 2.4
 
 #H2F2                537
-        2H+ + 2F- = H2F2
-        log_k           6.768
+        2 H+ + 2 F- = H2F2
+        log_k 6.768
 
 #peS/H2S             538
 #       S + 2H+ + 2e- = H2S
@@ -1580,1969 +1584,1969 @@ SOLUTION_SPECIES
 
 #NaF                 540
         Na+ + F- = NaF
-        log_k           -0.24
+        log_k -0.24
 
 #FeCl+               542
-        Fe+2 + Cl- = FeCl+ 
-        log_k           0.14
-        -gamma  5.0     0.0 
+        Fe+2 + Cl- = FeCl+
+        log_k 0.14
+        -gamma 5 0
 
 #BaSO4               543
-        Ba+2 + SO4-2 = BaSO4 
-        log_k           2.7
+        Ba+2 + SO4-2 = BaSO4
+        log_k 2.7
 
 #HSe- secondary master species   549
-        SeO3-2 + 7H+ + 6e- = HSe- + 3H2O 
-        log_k           42.514
+        SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O
+        log_k 42.514
 
 #H2Se                544
-        HSe- + H+ = H2Se 
-        log_k           3.8
+        HSe- + H+ = H2Se
+        log_k 3.8
         delta_h -5.3 kcal
 
 #SeO3-2 secondary master species   548
-        SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O 
-        log_k           30.256
+        SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O
+        log_k 30.256
 
 #H2SeO3              545
-        SeO3-2 + 2H+ = H2SeO3
-        log_k           11.25
+        SeO3-2 + 2 H+ = H2SeO3
+        log_k 11.25
 
 #HSeO3-              546
         SeO3-2 + H+ = HSeO3-
-        log_k           8.5
+        log_k 8.5
 
 #HSeO4-              547
         SeO4-2 + H+ = HSeO4-
-        log_k           1.66
+        log_k 1.66
         delta_h 4.91 kcal
 
 #Se4/Se6             548
-#       SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- 
+#       SeO3-2 + H2O = SeO4-2 + 2H+ + 2e-
 #       -30.256 0.0
 
 #Se4/Se-2            549
-#       SeO3-2 + 7H+ + 6e- = HSe- + 3H2O 
+#       SeO3-2 + 7H+ + 6e- = HSe- + 3H2O
 #       42.514  0.0
 
 #As3/As              557
-#       H3AsO3 + 3H+ + 3e- = As + 3H2O 
+#       H3AsO3 + 3H+ + 3e- = As + 3H2O
 #       12.170  0.0
 
 #FeHCO3+             558
         Fe+2 + HCO3- = FeHCO3+
-        log_k           2.0
+        log_k 2
 
 #FeCO3               559
-        Fe+2 + CO3-2 = FeCO3 
-        log_k           4.38
+        Fe+2 + CO3-2 = FeCO3
+        log_k 4.38
 
 #MnCO3               560
-        Mn+2 + CO3-2 = MnCO3 
-        log_k           4.9
+        Mn+2 + CO3-2 = MnCO3
+        log_k 4.9
 
 #BaHCO3+             561
         Ba+2 + HCO3- = BaHCO3+
-        log_k           0.982
+        log_k 0.982
         delta_h 5.56 kcal
-        -analytical     -3.0938         0.013669        0.0     0.0     0.0
+        -analytical -3.0938 0.013669 0 0 0
 
 #BaCO3               562
-        Ba+2 + CO3-2 = BaCO3 
-        log_k           2.71
+        Ba+2 + CO3-2 = BaCO3
+        log_k 2.71
         delta_h 3.55 kcal
-        -analytical     0.113   0.008721        0.0     0.0     0.0
+        -analytical 0.113 0.008721 0 0 0
 
 #SrSO4               563
-        Sr+2 + SO4-2 = SrSO4 
-        log_k           2.29
+        Sr+2 + SO4-2 = SrSO4
+        log_k 2.29
         delta_h 2.08 kcal
 
 #U+4 secondary master species   565
-        UO2+2 + 4H+ + 2e- = U+4 + 2H2O 
-        log_k           9.04
+        UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O
+        log_k 9.04
         delta_h -34.43 kcal
 
 #U+3 secondary master species   566
-        U+4 + e- = U+3 
-        log_k           -8.796
+        U+4 + e- = U+3
+        log_k -8.796
         delta_h 24.4 kcal
 
 #UOH+3               567
-        U+4 + H2O = UOH+3 + H+ 
-        log_k           -0.54
+        U+4 + H2O = UOH+3 + H+
+        log_k -0.54
         delta_h 11.21 kcal
 
 #U(OH)2+2            568
-        U+4 + 2H2O = U(OH)2+2 + 2H+ 
-        log_k           -2.27
+        U+4 + 2 H2O = U(OH)2+2 + 2 H+
+        log_k -2.27
         delta_h 17.73 kcal
 
 #U(OH)3+             569
-        U+4 + 3H2O = U(OH)3+ + 3H+ 
-        log_k           -4.935
+        U+4 + 3 H2O = U(OH)3+ + 3 H+
+        log_k -4.935
         delta_h 22.645 kcal
 
 #U(OH)4              570
-        U+4 + 4H2O = U(OH)4 + 4H+ 
-        log_k           -8.498
+        U+4 + 4 H2O = U(OH)4 + 4 H+
+        log_k -8.498
         delta_h 24.76 kcal
 
 #U6(OH)15+9          572
-        6U+4 + 15H2O = U6(OH)15+9 + 15H+ 
-        log_k           -17.2
+        6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
+        log_k -17.2
 
 #UF+3                578
-        U+4 + F- = UF+3 
-        log_k           9.3
+        U+4 + F- = UF+3
+        log_k 9.3
         delta_h -1.3 kcal
 
 #UF2+2               579
-        U+4 + 2F- = UF2+2 
-        log_k           16.22
+        U+4 + 2 F- = UF2+2
+        log_k 16.22
         delta_h -0.8 kcal
 
 #UF3+                580
-        U+4 + 3F- = UF3+ 
-        log_k           21.6
+        U+4 + 3 F- = UF3+
+        log_k 21.6
         delta_h 0.1 kcal
 
 #UF4                 581
-        U+4 + 4F- = UF4
-        log_k           25.5
+        U+4 + 4 F- = UF4
+        log_k 25.5
         delta_h -0.87 kcal
 
 #UF5-                582
-        U+4 + 5F- = UF5-
-        log_k           27.01
+        U+4 + 5 F- = UF5-
+        log_k 27.01
         delta_h 4.85 kcal
 
 #UF6-2               583
-        U+4 + 6F- = UF6-2
-        log_k           29.1
+        U+4 + 6 F- = UF6-2
+        log_k 29.1
         delta_h 3.3 kcal
 
 #UCl+3               586
-        U+4 + Cl- = UCl+3 
-        log_k           1.72
+        U+4 + Cl- = UCl+3
+        log_k 1.72
         delta_h -4.54 kcal
 
 #USO4+2              587
-        U+4 + SO4-2 = USO4+2 
-        log_k           6.58
+        U+4 + SO4-2 = USO4+2
+        log_k 6.58
         delta_h 1.9 kcal
 
 #U(SO4)2             588
-        U+4 + 2SO4-2 = U(SO4)2 
-        log_k           10.5
+        U+4 + 2 SO4-2 = U(SO4)2
+        log_k 10.5
         delta_h 7.8 kcal
 
 #U(CO3)4-4           589
-        U+4 + 4CO3-2 = U(CO3)4-4 
-        log_k           32.9
+        U+4 + 4 CO3-2 = U(CO3)4-4
+        log_k 32.9
 
 #U(CO3)5-6           590
-        U+4 + 5CO3-2 = U(CO3)5-6 
-        log_k           34.0
-        delta_h 20.0 kcal
+        U+4 + 5 CO3-2 = U(CO3)5-6
+        log_k 34
+        delta_h 20 kcal
 
 #UO2+ secondary master species   595
-        UO2+2 + e- = UO2+ 
-        log_k           1.49
+        UO2+2 + e- = UO2+
+        log_k 1.49
         delta_h -3.3 kcal
 
 #UO2OH+              596
-        UO2+2 + H2O = UO2OH+ + H+ 
-        log_k           -5.2
+        UO2+2 + H2O = UO2OH+ + H+
+        log_k -5.2
         delta_h 11.015 kcal
 
 #(UO2)2(OH)2+2       597
-        2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ 
-        log_k           -5.62
+        2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
+        log_k -5.62
         delta_h 10.23 kcal
 
 #(UO2)3(OH)5+        598
-        3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ 
-        log_k           -15.55
+        3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
+        log_k -15.55
         delta_h 25.075 kcal
 
 #UO2CO3              603
-        UO2+2 + CO3-2 = UO2CO3 
-        log_k           9.63
+        UO2+2 + CO3-2 = UO2CO3
+        log_k 9.63
         delta_h 1.2 kcal
 
 #UO2(CO3)2-2         604
-        UO2+2 + 2CO3-2 = UO2(CO3)2-2 
-        log_k           17.0
+        UO2+2 + 2 CO3-2 = UO2(CO3)2-2
+        log_k 17
         delta_h 4.42 kcal
 
 #UO2(CO3)3-4         605
-        UO2+2 + 3CO3-2 = UO2(CO3)3-4
-        log_k           21.63
+        UO2+2 + 3 CO3-2 = UO2(CO3)3-4
+        log_k 21.63
         delta_h -9.13 kcal
 
 #UO2F+               607
-        UO2+2 + F- = UO2F+ 
-        log_k           5.09
+        UO2+2 + F- = UO2F+
+        log_k 5.09
         delta_h 0.41 kcal
 
 #UO2F2               608
-        UO2+2 + 2F- = UO2F2 
-        log_k           8.62
+        UO2+2 + 2 F- = UO2F2
+        log_k 8.62
         delta_h 0.5 kcal
 
 #UO2F3-              609
-        UO2+2 + 3F- = UO2F3-
-        log_k           10.9
+        UO2+2 + 3 F- = UO2F3-
+        log_k 10.9
         delta_h 0.56 kcal
 
 #UO2F4-2             610
-        UO2+2 + 4F- = UO2F4-2
-        log_k           11.7
+        UO2+2 + 4 F- = UO2F4-2
+        log_k 11.7
         delta_h 0.07 kcal
 
 #UO2Cl+              611
-        UO2+2 + Cl- = UO2Cl+ 
-        log_k           0.17
+        UO2+2 + Cl- = UO2Cl+
+        log_k 0.17
         delta_h 1.9 kcal
 
 #UO2SO4              612
-        UO2+2 + SO4-2 = UO2SO4 
-        log_k           3.15
+        UO2+2 + SO4-2 = UO2SO4
+        log_k 3.15
         delta_h 4.7 kcal
 
 #UO2(SO4)2-2         613
-        UO2+2 + 2SO4-2 = UO2(SO4)2-2
-        log_k           4.14
+        UO2+2 + 2 SO4-2 = UO2(SO4)2-2
+        log_k 4.14
         delta_h 8.4 kcal
 
 #UO2HPO4             614
-        UO2+2 + PO4-3 + H+ = UO2HPO4 
-        log_k           20.21
+        UO2+2 + PO4-3 + H+ = UO2HPO4
+        log_k 20.21
         delta_h -2.1 kcal
 
 #UO2(HPO4)2-2         615
-        UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 
-        log_k           43.441
+        UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
+        log_k 43.441
         delta_h -11.8 kcal
 
 #UO2H2PO4+           616
-        UO2+2 + PO4-3 + 2H+ = UO2H2PO4+
-        log_k           22.87
+        UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+
+        log_k 22.87
         delta_h -3.7 kcal
 
 #UO2H2PO4)2          617
-        UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2
-        log_k           44.38
+        UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
+        log_k 44.38
         delta_h -16.5 kcal
 
 #UO2H2PO4)3-         618
-        UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3-
-        log_k           66.245
+        UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
+        log_k 66.245
         delta_h -28.6 kcal
 
 #UBr+3               633
-        U+4 + Br- = UBr+3 
-        log_k           1.5
+        U+4 + Br- = UBr+3
+        log_k 1.5
 
 #UI+3                634
-        U+4 + I- = UI+3 
-        log_k           1.3
+        U+4 + I- = UI+3
+        log_k 1.3
 
 #UNO3+3              635
-        U+4 + NO3- = UNO3+3 
-        log_k           1.47
+        U+4 + NO3- = UNO3+3
+        log_k 1.47
 
 #U(NO3)2+2           636
-        U+4 + 2NO3- = U(NO3)2+2 
-        log_k           2.3
+        U+4 + 2 NO3- = U(NO3)2+2
+        log_k 2.3
 
 #UO2(OH)3-           638
-        UO2+2 + 3H2O = UO2(OH)3- + 3H+ 
-        log_k           -19.2
+        UO2+2 + 3 H2O = UO2(OH)3- + 3 H+
+        log_k -19.2
 
 #UO2(OH)4-2          639
-        UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ 
-        log_k           -33.0
+        UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+
+        log_k -33
 
 #(UO2)2OH+3          640
-        2UO2+2 + H2O = (UO2)2OH+3 + H+ 
-        log_k           -2.7
+        2 UO2+2 + H2O = (UO2)2OH+3 + H+
+        log_k -2.7
 
 #(UO2)3(OH)4+2       641
-        3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ 
-        log_k           -11.9
+        3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+
+        log_k -11.9
 
 #(UO2)3(OH)7-        642
-        3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ 
-        log_k           -31.0
+        3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+
+        log_k -31
 
 #(UO2)4(OH)7+        643
-        4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ 
-        log_k           -21.9
+        4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+
+        log_k -21.9
 
 #UO2Cl2              644
-        UO2+2 + 2Cl- = UO2Cl2 
-        log_k           -1.1
+        UO2+2 + 2 Cl- = UO2Cl2
+        log_k -1.1
         delta_h 3.6 kcal
 
 #UO2Br+              645
-        UO2+2 + Br- = UO2Br+ 
-        log_k           0.22
+        UO2+2 + Br- = UO2Br+
+        log_k 0.22
 
 #UO2NO3+             646
-        UO2+2 + NO3- = UO2NO3+ 
-        log_k           0.3
+        UO2+2 + NO3- = UO2NO3+
+        log_k 0.3
 
 #UO2H3PO4+2          647
-        UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 
-        log_k           22.813
+        UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2
+        log_k 22.813
 
 #(UO2)3(CO3)6-6      648
-        3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 
-        log_k           54.0
+        3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6
+        log_k 54
 
 #UO2PO4-             649
         UO2+2 + PO4-3 = UO2PO4-
-        log_k           13.69
+        log_k 13.69
 
 #UO2(CO3)3-5         650
-#       UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 
+#       UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5
 #       log_k           8.920
-        UO2+ + 3CO3-2 = UO2(CO3)3-5
-        log_k           7.43
+        UO2+ + 3 CO3-2 = UO2(CO3)3-5
+        log_k 7.43
         delta_h 3.33 kcal
 
 PHASES
 
 H2O(g)
         H2O = H2O
-        log_k           1.51
-        delta_h         -44.03   kJ
+        log_k 1.51
+        delta_h -44.03 kJ
 #    Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978)
 
-Siderite(d)(3)      9
-        FeCO3 = Fe+2 + CO3-2 
-        log_k           -10.45
+Siderite(d)(3) 9
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.45
 
-Magnesite           10
-        MgCO3 = Mg+2 + CO3-2 
-        log_k           -8.029
+Magnesite 10
+        MgCO3 = Mg+2 + CO3-2
+        log_k -8.029
         delta_h -6.169 kcal
 
-Dolomite(d)         11
-        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 
-        log_k           -16.54
+Dolomite(d) 11
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -16.54
         delta_h -11.09 kcal
 
-Calcite             12
-        CaCO3 = Ca+2 + CO3-2 
-        log_k           -8.48
+Calcite 12
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.48
         delta_h -2.297 kcal
-        -analytical     -171.9065       -0.077993       2839.319        71.595  0.0
+        -analytical -171.9065 -0.077993 2839.319 71.595 0
 
-Anhydrite           17
-        CaSO4 = Ca+2 + SO4-2 
-        log_k           -4.36
+Anhydrite 17
+        CaSO4 = Ca+2 + SO4-2
+        log_k -4.36
         delta_h -1.71 kcal
-        -analytical     197.52  0.0     -8669.8         -69.835         0.0
+        -analytical 197.52 0 -8669.8 -69.835 0
 
-Gypsum              18
-        CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O 
-        log_k           -4.58
+Gypsum 18
+        CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+        log_k -4.58
         delta_h -0.109 kcal
-        -analytical     68.2401         0.0     -3221.51        -25.0627        0.0
+        -analytical 68.2401 0 -3221.51 -25.0627 0
 
-Brucite             19
-        Mg(OH)2 + 2H+ = Mg+2 + 2H2O 
-        log_k           16.84
+Brucite 19
+        Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
+        log_k 16.84
         delta_h -27.1 kcal
 
-Chrysotile          20
-        Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O 
-        log_k           32.2
+Chrysotile 20
+        Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
+        log_k 32.2
         delta_h -46.8 kcal
-        -analytical     13.248  0.0     10217.1         -6.1894         0.0
+        -analytical 13.248 0 10217.1 -6.1894 0
 
-Aragonite           21
-        CaCO3 = Ca+2 + CO3-2 
-        log_k           -8.336
+Aragonite 21
+        CaCO3 = Ca+2 + CO3-2
+        log_k -8.336
         delta_h -2.589 kcal
-        -analytical     -171.9773       -0.077993       2903.293        71.595  0.0
+        -analytical -171.9773 -0.077993 2903.293 71.595 0
 
-Forsterite          27
-        Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 
-        log_k           28.306
+Forsterite 27
+        Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
+        log_k 28.306
         delta_h -48.578 kcal
 
-Diopside            28
-        CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 
-        log_k           19.894
+Diopside 28
+        CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4
+        log_k 19.894
         delta_h -32.348 kcal
 
-Clinoenstatite      29
-        MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 
-        log_k           11.342
+Clinoenstatite 29
+        MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4
+        log_k 11.342
         delta_h -20.049 kcal
 
-Tremolite           31
-        Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 
-        log_k           56.574
+Tremolite 31
+        Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
+        log_k 56.574
         delta_h -96.853 kcal
 
-Sepiolite           36
-        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 
-        log_k           15.76
+Sepiolite 36
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 15.76
         delta_h -10.7 kcal
 
-Talc                37
-        Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 
-        log_k           21.399
+Talc 37
+        Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+        log_k 21.399
         delta_h -46.352 kcal
 
-Hydromagnesite      38
-        Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O 
-        log_k           -8.762
+Hydromagnesite 38
+        Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
+        log_k -8.762
         delta_h -52.244 kcal
 
-Adularia            39
-        KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 
-        log_k           -20.573
+Adularia 39
+        KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
+        log_k -20.573
         delta_h 30.82 kcal
 
-Albite              40
-        NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 
-        log_k           -18.002
+Albite 40
+        NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
+        log_k -18.002
         delta_h 25.896 kcal
 
-Anorthite           41
-        CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 
-        log_k           -19.714
+Anorthite 41
+        CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
+        log_k -19.714
         delta_h 11.58 kcal
 
-Analcime            42
-        NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 
-        log_k           -12.701
+Analcime 42
+        NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4
+        log_k -12.701
         delta_h 18.206 kcal
 
-Kmica               43
-        KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 
-        log_k           12.703
+Kmica 43
+        KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+        log_k 12.703
         delta_h -59.376 kcal
 
-Phlogopite          44
-        KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 
-        log_k           43.3
-        delta_h -42.30 kcal
+Phlogopite 44
+        KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4
+        log_k 43.3
+        delta_h -42.3 kcal
 
-Illite              45
-        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
-        log_k           -40.267
+Illite 45
+        K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+
+        log_k -40.267
         delta_h 54.684 kcal
 
-Kaolinite           46
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O 
-        log_k           7.435
+Kaolinite 46
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 7.435
         delta_h -35.3 kcal
 
-Halloysite          47
-        Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O 
-        log_k           12.498
-        delta_h -39.920 kcal
+Halloysite 47
+        Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
+        log_k 12.498
+        delta_h -39.92 kcal
 
-Beidellite          48
-        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
-        log_k           -45.272
+Beidellite 48
+        (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.272
         delta_h 60.355 kcal
 
-Chlorite14A         49
-        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O 
-        log_k           68.38
+Chlorite14A 49
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 68.38
         delta_h -151.494 kcal
 
-Alunite             50
-        KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O
-        log_k           -1.4
+Alunite 50
+        KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
+        log_k -1.4
         delta_h -50.25 kcal
 
-Gibbsite            51
-        Al(OH)3 + 3H+ = Al+3 + 3H2O 
-        log_k           8.11
+Gibbsite 51
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 8.11
         delta_h -22.8 kcal
 
-Boehmite            52
-        AlOOH + 3H+ = Al+3 + 2H2O 
-        log_k           8.584
+Boehmite 52
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 8.584
         delta_h -28.181 kcal
 
-Pyrophyllite        53
-        Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ 
-        log_k           -48.314
+Pyrophyllite 53
+        Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+
+        log_k -48.314
 
-Phillipsite         54
-        Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4
-        log_k           -19.874
+Phillipsite 54
+        Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4
+        log_k -19.874
 
-Nahcolite           58
+Nahcolite 58
         NaHCO3 = Na+ + HCO3-
-        log_k           -0.548
-        delta_h 3.720 kcal
+        log_k -0.548
+        delta_h 3.72 kcal
 
-Trona               59
-        NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3-
-        log_k           -0.795
-        delta_h -18.0 kcal
+Trona 59
+        NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3-
+        log_k -0.795
+        delta_h -18 kcal
 
-Natron              60
-        Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O 
-        log_k           -1.311
+Natron 60
+        Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
+        log_k -1.311
         delta_h 15.745 kcal
 
-Thermonatrite       61
-        Na2CO3:H2O = 2Na+ + CO3-2 + H2O 
-        log_k           0.125
+Thermonatrite 61
+        Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
+        log_k 0.125
         delta_h -2.802 kcal
 
-Fluorite            62
-        CaF2 = Ca+2 + 2F- 
-        log_k           -10.6
+Fluorite 62
+        CaF2 = Ca+2 + 2 F-
+        log_k -10.6
         delta_h 4.69 kcal
-        -analytical     66.348  0.0     -4298.2         -25.271         0.0
+        -analytical 66.348 0 -4298.2 -25.271 0
 
-Montmorillonite-Ca     63
-        Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+
-        log_k           -45.027
+Montmorillonite-Ca 63
+        Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+        log_k -45.027
         delta_h 58.373 kcal
 
-Halite              64
-        NaCl = Na+ + Cl- 
-        log_k           1.582
+Halite 64
+        NaCl = Na+ + Cl-
+        log_k 1.582
         delta_h 0.918 kcal
 
-Thenardite          65
-        Na2SO4 = 2Na+ + SO4-2 
-        log_k           -0.179
+Thenardite 65
+        Na2SO4 = 2 Na+ + SO4-2
+        log_k -0.179
         delta_h -0.572 kcal
 
-Mirabilite          66
-        Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O 
-        log_k           -1.114
+Mirabilite 66
+        Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
+        log_k -1.114
         delta_h 18.987 kcal
 
-Mackinawite         67
-        FeS + H+ = Fe+2 + HS- 
-        log_k           -4.648
+Mackinawite 67
+        FeS + H+ = Fe+2 + HS-
+        log_k -4.648
 
-Siderite            94
-        FeCO3 = Fe+2 + CO3-2 
-        log_k           -10.89
+Siderite 94
+        FeCO3 = Fe+2 + CO3-2
+        log_k -10.89
         delta_h -2.48 kcal
 
-Hydroxyapatite      95
-        Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O 
-        log_k           -3.421
+Hydroxyapatite 95
+        Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O
+        log_k -3.421
         delta_h -36.155 kcal
 
-Fluorapatite        96
-        Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- 
-        log_k           -17.6
-        delta_h -20.070 kcal
+Fluorapatite 96
+        Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F-
+        log_k -17.6
+        delta_h -20.07 kcal
 
-Chalcedony          97
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.55
+Chalcedony 97
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.55
         delta_h 4.72 kcal
-        -analytical     -0.09   0.0     -1032.0         0.0     0.0
+        -analytical -0.09 0 -1032 0 0
 
-Magadiite           98
-        NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 
-        log_k           -14.3
+Magadiite 98
+        NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4
+        log_k -14.3
 
-Cristobalite        99
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.587
+Cristobalite 99
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.587
         delta_h 5.5 kcal
 
-Silicagel           100
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.018
-        delta_h 4.440 kcal
+Silicagel 100
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.018
+        delta_h 4.44 kcal
 
-Quartz              101
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -3.98
+Quartz 101
+        SiO2 + 2 H2O = H4SiO4
+        log_k -3.98
         delta_h 5.99 kcal
-        -analytical     0.41    0.0     -1309.0         0.0     0.0
+        -analytical 0.41 0 -1309 0 0
 
-Vivianite           106
-        Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O 
-        log_k           -36.0
+Vivianite 106
+        Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+        log_k -36
 
-Magnetite           107
-        Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O 
-        log_k           3.737
-        delta_h -50.460 kcal
+Magnetite 107
+        Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
+        log_k 3.737
+        delta_h -50.46 kcal
 
-Hematite            108
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O 
-        log_k           -4.008
+Hematite 108
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k -4.008
         delta_h -30.845 kcal
 
-Maghemite           109
-        Fe2O3 + 6H+ = 2Fe+3 + 3H2O 
-        log_k           6.386
+Maghemite 109
+        Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+        log_k 6.386
 
-Goethite            110
-        FeOOH + 3H+ = Fe+3 + 2H2O 
-        log_k           -1.0
-        delta_h         -14.48 kcal
+Goethite 110
+        FeOOH + 3 H+ = Fe+3 + 2 H2O
+        log_k -1
+        delta_h -14.48 kcal
 
-Greenalite          111
-        Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O 
-        log_k           20.810
+Greenalite 111
+        Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
+        log_k 20.81
 
-Fe(OH)3(a)          112
-        Fe(OH)3 + 3H+ = Fe+3 + 3H2O 
-        log_k           4.891
+Fe(OH)3(a) 112
+        Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+        log_k 4.891
 
-Annite              113
-        KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH-
-        log_k           -85.645
-        delta_h 62.480 kcal
+Annite 113
+        KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH-
+        log_k -85.645
+        delta_h 62.48 kcal
 
-Pyrite              114
-        FeS2 + 2H+ + 2e- = Fe+2 + 2HS- 
-        log_k           -18.479
+Pyrite 114
+        FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+        log_k -18.479
         delta_h 11.3 kcal
 
-Montmorillonite-BelleFourche    115
-        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4
-        log_k           -34.913
+Montmorillonite-BelleFourche 115
+        (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4
+        log_k -34.913
 
-Montmorillonite-Aberdeen        116
-        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4
-        log_k           -29.688
+Montmorillonite-Aberdeen 116
+        (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4
+        log_k -29.688
 
-Huntite             117
-        CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 
-        log_k           -29.968
-        delta_h -25.760 kcal
+Huntite 117
+        CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
+        log_k -29.968
+        delta_h -25.76 kcal
 
-Greigite            118
-        Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- 
-        log_k           -45.035
+Greigite 118
+        Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
+        log_k -45.035
 
-FeS(ppt)              119
-        FeS + H+ = Fe+2 + HS- 
-        log_k           -3.915
+FeS(ppt) 119
+        FeS + H+ = Fe+2 + HS-
+        log_k -3.915
 
-Chlorite7A          125
-        Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O
-        log_k           71.752
+Chlorite7A 125
+        Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O
+        log_k 71.752
         delta_h -155.261 kcal
 
-Laumontite          128
-        CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 
-        log_k           -30.960
-        delta_h 39.610 kcal
+Laumontite 128
+        CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -30.96
+        delta_h 39.61 kcal
 
-Jarosite(ss)        133
-        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O
-        log_k           -9.83   # WATEQ4F, Alpers and others, 1989
+Jarosite(ss) 133
+        (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.83 # WATEQ4F, Alpers and others, 1989
 
 
-Mn2(SO4)3           134
-        Mn2(SO4)3 = 2Mn+3 + 3SO4-2 
-        log_k           -5.711
-        delta_h -39.060 kcal
+Mn2(SO4)3 134
+        Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
+        log_k -5.711
+        delta_h -39.06 kcal
 
-Al(OH)3(a)          140
-        Al(OH)3 + 3H+ = Al+3 + 3H2O 
-        log_k           10.8
+Al(OH)3(a) 140
+        Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+        log_k 10.8
         delta_h -26.5 kcal
 
-Prehnite            141
-        Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 
-        log_k           -11.695
-        delta_h 10.390 kcal
+Prehnite 141
+        Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4
+        log_k -11.695
+        delta_h 10.39 kcal
 
-Strontianite        142
-        SrCO3 = Sr+2 + CO3-2 
-        log_k           -9.271
+Strontianite 142
+        SrCO3 = Sr+2 + CO3-2
+        log_k -9.271
         delta_h -0.4 kcal
-        -analytical     155.0305        0.0     -7239.594       -56.58638       0.0
+        -analytical 155.0305 0 -7239.594 -56.58638 0
 
-Celestite           143
-        SrSO4 = Sr+2 + SO4-2 
-        log_k           -6.63
+Celestite 143
+        SrSO4 = Sr+2 + SO4-2
+        log_k -6.63
         delta_h -1.037 kcal
-        -analytical     -14805.9622     -2.4660924      756968.533      5436.3588       -40553604.
+        -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604
 
-Barite              144
-        BaSO4 = Ba+2 + SO4-2 
-        log_k           -9.97
+Barite 144
+        BaSO4 = Ba+2 + SO4-2
+        log_k -9.97
         delta_h 6.35 kcal
-        -analytical     136.035         0.0     -7680.41        -48.595         0.0
+        -analytical 136.035 0 -7680.41 -48.595 0
 
-Witherite           145
-        BaCO3 = Ba+2 + CO3-2 
-        log_k           -8.562
+Witherite 145
+        BaCO3 = Ba+2 + CO3-2
+        log_k -8.562
         delta_h 0.703 kcal
-        -analytical     607.642         0.121098        -20011.25       -236.4948       0.0
+        -analytical 607.642 0.121098 -20011.25 -236.4948 0
 
-Strengite           146
-        FePO4:2H2O = Fe+3 + PO4-3 + 2H2O 
-        log_k           -26.4
-        delta_h -2.030 kcal
+Strengite 146
+        FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
+        log_k -26.4
+        delta_h -2.03 kcal
 
-Leonhardite         147
-        Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 
-        log_k           -69.756
-        delta_h 90.070 kcal
+Leonhardite 147
+        Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4
+        log_k -69.756
+        delta_h 90.07 kcal
 
-Nesquehonite        149
-        MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O 
-        log_k           -5.621
+Nesquehonite 149
+        MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
+        log_k -5.621
         delta_h -5.789 kcal
 
-Artinite            150
-        MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O 
-        log_k           9.6
+Artinite 150
+        MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
+        log_k 9.6
         delta_h -28.742 kcal
 
-Sepiolite(d)        153
-        Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 
-        log_k           18.66
+Sepiolite(d) 153
+        Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
+        log_k 18.66
 
-Diaspore            154
-        AlOOH + 3H+ = Al+3 + 2H2O 
-        log_k           6.879
+Diaspore 154
+        AlOOH + 3 H+ = Al+3 + 2 H2O
+        log_k 6.879
         delta_h -24.681 kcal
 
-Wairakite           155
-        CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 
-        log_k           -26.708
-        delta_h 26.140 kcal
+Wairakite 155
+        CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4
+        log_k -26.708
+        delta_h 26.14 kcal
 
-Fe(OH)2.7Cl.3       181
-        Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- 
-        log_k           -3.040
+Fe(OH)2.7Cl.3 181
+        Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
+        log_k -3.04
 
-MnSO4               182
-        MnSO4 = Mn+2 + SO4-2 
-        log_k           2.669
-        delta_h -15.480 kcal
+MnSO4 182
+        MnSO4 = Mn+2 + SO4-2
+        log_k 2.669
+        delta_h -15.48 kcal
 
-Pyrolusite          183
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           41.38
+Pyrolusite 183
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 41.38
         delta_h -65.11 kcal
 
-Birnessite          184
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           43.601
+Birnessite 184
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 43.601
 
-Nsutite             185
-        MnO2 + 4H+ + 2e- = Mn+2 + 2H2O 
-        log_k           42.564
+Nsutite 185
+        MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O
+        log_k 42.564
 
-Bixbyite            186
-        Mn2O3 + 6H+ = 2Mn+3 + 3H2O 
-        log_k           -0.611
+Bixbyite 186
+        Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
+        log_k -0.611
         delta_h -15.245 kcal
 
-Hausmannite         187
-        Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O 
-        log_k           61.03
+Hausmannite 187
+        Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+        log_k 61.03
         delta_h -100.64 kcal
 
-Pyrochroite         188
-        Mn(OH)2 + 2H+ = Mn+2 + 2H2O 
-        log_k           15.2
+Pyrochroite 188
+        Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+        log_k 15.2
 
-Manganite           189
-        MnOOH + 3H+ + e- = Mn+2 + 2H2O 
-        log_k           25.340
+Manganite 189
+        MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+        log_k 25.34
 
-Rhodochrosite(d)    190
-        MnCO3 = Mn+2 + CO3-2 
-        log_k           -10.390
+Rhodochrosite(d) 190
+        MnCO3 = Mn+2 + CO3-2
+        log_k -10.39
 
-MnCl2:4H2O          191
-        MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O 
-        log_k           2.710
-        delta_h 17.380 kcal
+MnCl2:4H2O 191
+        MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
+        log_k 2.71
+        delta_h 17.38 kcal
 
-MnS(Green)          192
-        MnS + H+ = Mn+2 + HS- 
-        log_k           3.8
-        delta_h -5.790 kcal
+MnS(Green) 192
+        MnS + H+ = Mn+2 + HS-
+        log_k 3.8
+        delta_h -5.79 kcal
 
-Mn3(PO4)2           193
-        Mn3(PO4)2 = 3Mn+2 + 2PO4-3 
-        log_k           -23.827
-        delta_h 2.120 kcal
+Mn3(PO4)2 193
+        Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
+        log_k -23.827
+        delta_h 2.12 kcal
 
-MnHPO4              194
-        MnHPO4 = Mn+2 + HPO4-2 
-        log_k           -12.947
+MnHPO4 194
+        MnHPO4 = Mn+2 + HPO4-2
+        log_k -12.947
 
-Jarosite-Na         204
-        NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O 
-        log_k           -5.280
-        delta_h -36.180 kcal
+Jarosite-Na 204
+        NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -5.28
+        delta_h -36.18 kcal
 
-Jarosite-K          205
-        KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O 
-        log_k           -9.21
+Jarosite-K 205
+        KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
+        log_k -9.21
         delta_h -31.28 kcal
 
-CuMetal             223
-        Cu = Cu+ + e- 
-        log_k           -8.760
-        delta_h 17.130 kcal
+CuMetal 223
+        Cu = Cu+ + e-
+        log_k -8.76
+        delta_h 17.13 kcal
 
-Nantokite           224
-        CuCl = Cu+ + Cl- 
-        log_k           -6.760
-        delta_h 9.980 kcal
+Nantokite 224
+        CuCl = Cu+ + Cl-
+        log_k -6.76
+        delta_h 9.98 kcal
 
-CuF                 225
-        CuF = Cu+ + F- 
-        log_k           7.080
-        delta_h -12.370 kcal
+CuF 225
+        CuF = Cu+ + F-
+        log_k 7.08
+        delta_h -12.37 kcal
 
-Cuprite             226
-        Cu2O + 2H+ = 2Cu+ + H2O 
-        log_k           -1.550
+Cuprite 226
+        Cu2O + 2 H+ = 2 Cu+ + H2O
+        log_k -1.55
         delta_h 6.245 kcal
 
-Chalcocite          227
-        Cu2S + H+ = 2Cu+ + HS- 
-        log_k           -34.619
-        delta_h 49.350 kcal
+Chalcocite 227
+        Cu2S + H+ = 2 Cu+ + HS-
+        log_k -34.619
+        delta_h 49.35 kcal
 
-Cu2SO4              228
-        Cu2SO4 = 2Cu+ + SO4-2 
-        log_k           -1.950
-        delta_h -4.560 kcal
+Cu2SO4 228
+        Cu2SO4 = 2 Cu+ + SO4-2
+        log_k -1.95
+        delta_h -4.56 kcal
 
-CuprousFerrite      229
-        CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O 
-        log_k           -8.920
+CuprousFerrite 229
+        CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
+        log_k -8.92
         delta_h -3.8 kcal
 
-Melanothallite      230
-        CuCl2 = Cu+2 + 2Cl- 
-        log_k           3.730
-        delta_h -12.320 kcal
+Melanothallite 230
+        CuCl2 = Cu+2 + 2 Cl-
+        log_k 3.73
+        delta_h -12.32 kcal
 
-CuCO3               231
-        CuCO3 = Cu+2 + CO3-2 
-        log_k           -9.630
+CuCO3 231
+        CuCO3 = Cu+2 + CO3-2
+        log_k -9.63
 
-CuF2                232
-        CuF2 = Cu+2 + 2F- 
-        log_k           -0.620
-        delta_h -13.320 kcal
+CuF2 232
+        CuF2 = Cu+2 + 2 F-
+        log_k -0.62
+        delta_h -13.32 kcal
 
-CuF2:2H2O           233
-        CuF2:2H2O = Cu+2 + 2F- + 2H2O 
-        log_k           -4.550
-        delta_h -3.650 kcal
+CuF2:2H2O 233
+        CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
+        log_k -4.55
+        delta_h -3.65 kcal
 
-Cu(OH)2             234
-        Cu(OH)2 + 2H+ = Cu+2 + 2H2O 
-        log_k           8.640
-        delta_h -15.250 kcal
+Cu(OH)2 234
+        Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
+        log_k 8.64
+        delta_h -15.25 kcal
 
-Malachite           235
-        Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3-
-        log_k           5.150
-        delta_h -19.760 kcal
+Malachite 235
+        Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3-
+        log_k 5.15
+        delta_h -19.76 kcal
 
-Azurite             236
-        Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3-
-        log_k           3.750
-        delta_h -30.870 kcal
+Azurite 236
+        Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3-
+        log_k 3.75
+        delta_h -30.87 kcal
 
-Atacamite           237
-        Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- 
-        log_k           7.340
-        delta_h -18.690 kcal
+Atacamite 237
+        Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
+        log_k 7.34
+        delta_h -18.69 kcal
 
-Cu2(OH)3NO3         238
-        Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- 
-        log_k           9.240
-        delta_h -17.350 kcal
+Cu2(OH)3NO3 238
+        Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
+        log_k 9.24
+        delta_h -17.35 kcal
 
-Antlerite           239
-        Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 
-        log_k           8.290
+Antlerite 239
+        Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
+        log_k 8.29
 
-Brochantite         240
-        Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 
-        log_k           15.340
+Brochantite 240
+        Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
+        log_k 15.34
 
-Langite             241
-        Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 
-        log_k           16.790
-        delta_h -39.610 kcal
+Langite 241
+        Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
+        log_k 16.79
+        delta_h -39.61 kcal
 
-Tenorite            242
-        CuO + 2H+ = Cu+2 + H2O 
-        log_k           7.620
-        delta_h -15.240 kcal
+Tenorite 242
+        CuO + 2 H+ = Cu+2 + H2O
+        log_k 7.62
+        delta_h -15.24 kcal
 
-CuOCuSO4            243
-        CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 
-        log_k           11.530
+CuOCuSO4 243
+        CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
+        log_k 11.53
         delta_h -35.575 kcal
 
-Cu3(PO4)2           244
-        Cu3(PO4)2 = 3Cu+2 + 2PO4-3 
-        log_k           -36.850
+Cu3(PO4)2 244
+        Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
+        log_k -36.85
 
-Cu3(PO4)2:3H2O      245
-        Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O 
-        log_k           -35.120
+Cu3(PO4)2:3H2O 245
+        Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
+        log_k -35.12
 
-Covellite           246
-        CuS + H+ = Cu+2 + HS- 
-        log_k           -22.270
-        delta_h 24.010 kcal
+Covellite 246
+        CuS + H+ = Cu+2 + HS-
+        log_k -22.27
+        delta_h 24.01 kcal
 
-CuSO4               247
-        CuSO4 = Cu+2 + SO4-2 
-        log_k           3.010
-        delta_h -18.140 kcal
+CuSO4 247
+        CuSO4 = Cu+2 + SO4-2
+        log_k 3.01
+        delta_h -18.14 kcal
 
-Chalcanthite        248
-        CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O 
-        log_k           -2.640
-        delta_h 1.440 kcal
+Chalcanthite 248
+        CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
+        log_k -2.64
+        delta_h 1.44 kcal
 
-CupricFerrite       249
-        CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O 
-        log_k           5.880
-        delta_h -38.690 kcal
+CupricFerrite 249
+        CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
+        log_k 5.88
+        delta_h -38.69 kcal
 
-Chalcopyrite        250
-        CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- 
-        log_k           -35.270
-        delta_h 35.480 kcal
+Chalcopyrite 250
+        CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
+        log_k -35.27
+        delta_h 35.48 kcal
 
-ZnMetal             265
-        Zn = Zn+2 + 2e- 
-        log_k           25.757
-        delta_h -36.780 kcal
+ZnMetal 265
+        Zn = Zn+2 + 2 e-
+        log_k 25.757
+        delta_h -36.78 kcal
 
-Zn(BO2)2            266
-        Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 
-        log_k           8.290
+Zn(BO2)2 266
+        Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
+        log_k 8.29
 
-ZnCl2               267
-        ZnCl2 = Zn+2 + 2Cl- 
-        log_k           7.030
-        delta_h -17.480 kcal
+ZnCl2 267
+        ZnCl2 = Zn+2 + 2 Cl-
+        log_k 7.03
+        delta_h -17.48 kcal
 
-Smithsonite         268
-        ZnCO3 = Zn+2 + CO3-2 
-        log_k           -10.0
+Smithsonite 268
+        ZnCO3 = Zn+2 + CO3-2
+        log_k -10
         delta_h -4.36 kcal
 
-ZnCO3:H2O           269
-        ZnCO3:H2O = Zn+2 + CO3-2 + H2O 
-        log_k           -10.260
+ZnCO3:H2O 269
+        ZnCO3:H2O = Zn+2 + CO3-2 + H2O
+        log_k -10.26
 
-ZnF2                270
-        ZnF2 = Zn+2 + 2F- 
-        log_k           -1.520
-        delta_h -13.080 kcal
+ZnF2 270
+        ZnF2 = Zn+2 + 2 F-
+        log_k -1.52
+        delta_h -13.08 kcal
 
-Zn(OH)2-a          271
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           12.450
+Zn(OH)2-a 271
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.45
 
-Zn(OH)2-c          272
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           12.2
+Zn(OH)2-c 272
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 12.2
 
-Zn(OH)2-b          273
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.750
+Zn(OH)2-b 273
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.75
 
-Zn(OH)2-g          274
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.710
+Zn(OH)2-g 274
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.71
 
-Zn(OH)2-e          275
-        Zn(OH)2 + 2H+ = Zn+2 + 2H2O 
-        log_k           11.5
+Zn(OH)2-e 275
+        Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+        log_k 11.5
 
-Zn2(OH)3Cl          276
-        Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- 
-        log_k           15.2
+Zn2(OH)3Cl 276
+        Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
+        log_k 15.2
 
-Zn5(OH)8Cl2         277
-        Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- 
-        log_k           38.5
+Zn5(OH)8Cl2 277
+        Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
+        log_k 38.5
 
-Zn2(OH)2SO4         278
-        Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 
-        log_k           7.5
+Zn2(OH)2SO4 278
+        Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
+        log_k 7.5
 
-Zn4(OH)6SO4         279
-        Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 
-        log_k           28.4
+Zn4(OH)6SO4 279
+        Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
+        log_k 28.4
 
-Zn(NO3)2:6H2O       280
-        Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O 
-        log_k           3.440
-        delta_h 5.510 kcal
+Zn(NO3)2:6H2O 280
+        Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
+        log_k 3.44
+        delta_h 5.51 kcal
 
-ZnO(a)              281
-        ZnO + 2H+ = Zn+2 + H2O 
-        log_k           11.310
+ZnO(a) 281
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.31
 
-Zincite(c)          282
-        ZnO + 2H+ = Zn+2 + H2O 
-        log_k           11.140
-        delta_h -21.860 kcal
+Zincite(c) 282
+        ZnO + 2 H+ = Zn+2 + H2O
+        log_k 11.14
+        delta_h -21.86 kcal
 
-Zn3O(SO4)2          283
-        ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O 
-        log_k           19.020
-        delta_h -62.0 kcal
+Zn3O(SO4)2 283
+        ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
+        log_k 19.02
+        delta_h -62 kcal
 
-Zn3(PO4)2:4w        284
-        Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O 
-        log_k           -32.040
+Zn3(PO4)2:4w 284
+        Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
+        log_k -32.04
 
-ZnS(a)              285
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -9.052
-        delta_h 3.670 kcal
+ZnS(a) 285
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.052
+        delta_h 3.67 kcal
 
-Sphalerite          286
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -11.618
+Sphalerite 286
+        ZnS + H+ = Zn+2 + HS-
+        log_k -11.618
         delta_h 8.25 kcal
 
-Wurtzite            287
-        ZnS + H+ = Zn+2 + HS- 
-        log_k           -9.682
-        delta_h 5.060 kcal
+Wurtzite 287
+        ZnS + H+ = Zn+2 + HS-
+        log_k -9.682
+        delta_h 5.06 kcal
 
-ZnSiO3              288
-        ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 
-        log_k           2.930
-        delta_h -18.270 kcal
+ZnSiO3 288
+        ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4
+        log_k 2.93
+        delta_h -18.27 kcal
 
-Willemite           289
-        Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 
-        log_k           15.33
+Willemite 289
+        Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
+        log_k 15.33
         delta_h -33.37 kcal
 
-Zincosite           290
-        ZnSO4 = Zn+2 + SO4-2 
-        log_k           3.010
+Zincosite 290
+        ZnSO4 = Zn+2 + SO4-2
+        log_k 3.01
         delta_h -19.2 kcal
 
-ZnSO4:H2O           291
-        ZnSO4:H2O = Zn+2 + SO4-2 + H2O 
-        log_k           -0.570
-        delta_h -10.640 kcal
+ZnSO4:H2O 291
+        ZnSO4:H2O = Zn+2 + SO4-2 + H2O
+        log_k -0.57
+        delta_h -10.64 kcal
 
-Bianchite           292
-        ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O 
-        log_k           -1.765
-        delta_h -0.160 kcal
+Bianchite 292
+        ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
+        log_k -1.765
+        delta_h -0.16 kcal
 
-Goslarite           293
-        ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O 
-        log_k           -1.960
+Goslarite 293
+        ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
+        log_k -1.96
         delta_h 3.3 kcal
 
-CdMetal             312
-        Cd = Cd+2 + 2e- 
-        log_k           13.490
-        delta_h -18.0 kcal
+CdMetal 312
+        Cd = Cd+2 + 2 e-
+        log_k 13.49
+        delta_h -18 kcal
 
-Cd(gamma)           313
-        Cd = Cd+2 + 2e- 
-        log_k           13.590
-        delta_h -18.140 kcal
+Cd(gamma) 313
+        Cd = Cd+2 + 2 e-
+        log_k 13.59
+        delta_h -18.14 kcal
 
-Cd(BO2)2            314
-        Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 
-        log_k           9.840
+Cd(BO2)2 314
+        Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
+        log_k 9.84
 
-Otavite             315
-        CdCO3 = Cd+2 + CO3-2 
-        log_k           -12.1
+Otavite 315
+        CdCO3 = Cd+2 + CO3-2
+        log_k -12.1
         delta_h -0.019 kcal
 
-CdCl2               316
-        CdCl2 = Cd+2 + 2Cl- 
-        log_k           -0.68
+CdCl2 316
+        CdCl2 = Cd+2 + 2 Cl-
+        log_k -0.68
         delta_h -4.47 kcal
 
-CdCl2:H2O           317
-        CdCl2:H2O = Cd+2 + 2Cl- + H2O 
-        log_k           -1.71
+CdCl2:H2O 317
+        CdCl2:H2O = Cd+2 + 2 Cl- + H2O
+        log_k -1.71
         delta_h -1.82 kcal
 
-CdCl2:2.5H2O        318
-        CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O 
-        log_k           -1.940
-        delta_h 1.710 kcal
+CdCl2:2.5H2O 318
+        CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
+        log_k -1.94
+        delta_h 1.71 kcal
 
-CdF2                319
-        CdF2 = Cd+2 + 2F- 
-        log_k           -2.980
-        delta_h -9.720 kcal
+CdF2 319
+        CdF2 = Cd+2 + 2 F-
+        log_k -2.98
+        delta_h -9.72 kcal
 
-Cd(OH)2(a)          320
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O 
-        log_k           13.730
-        delta_h -20.770 kcal
+Cd(OH)2(a) 320
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.73
+        delta_h -20.77 kcal
 
-Cd(OH)2             321
-        Cd(OH)2 + 2H+ = Cd+2 + 2H2O 
-        log_k           13.65
+Cd(OH)2 321
+        Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+        log_k 13.65
 
-CdOHCl              322
-        CdOHCl + H+ = Cd+2 + H2O + Cl- 
-        log_k           3.520
+CdOHCl 322
+        CdOHCl + H+ = Cd+2 + H2O + Cl-
+        log_k 3.52
         delta_h -7.407 kcal
 
-Cd3(OH)4SO4         323
-        Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 
-        log_k           22.560
+Cd3(OH)4SO4 323
+        Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
+        log_k 22.56
 
-Cd3(OH)2(SO4)2      324
-        Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 
-        log_k           6.710
+Cd3(OH)2(SO4)2 324
+        Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
+        log_k 6.71
 
-Cd4(OH)6SO4         325
-        Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 
-        log_k           28.4
+Cd4(OH)6SO4 325
+        Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
+        log_k 28.4
 
-Monteponite         326
-        CdO + 2H+ = Cd+2 + H2O 
-        log_k           13.770
-        delta_h -24.760 kcal
+Monteponite 326
+        CdO + 2 H+ = Cd+2 + H2O
+        log_k 13.77
+        delta_h -24.76 kcal
 
-Cd3(PO4)2           327
-        Cd3(PO4)2 = 3Cd+2 + 2PO4-3 
-        log_k           -32.6
+Cd3(PO4)2 327
+        Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
+        log_k -32.6
 
-CdSiO3              328
-        CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 
-        log_k           9.06
+CdSiO3 328
+        CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
+        log_k 9.06
         delta_h -16.63 kcal
 
-CdSO4               329
-        CdSO4 = Cd+2 + SO4-2 
-        log_k           -0.1
+CdSO4 329
+        CdSO4 = Cd+2 + SO4-2
+        log_k -0.1
         delta_h -14.74 kcal
 
-CdSO4:H2O           330
-        CdSO4:H2O = Cd+2 + SO4-2 + H2O 
-        log_k           -1.657
-        delta_h -7.520 kcal
+CdSO4:H2O 330
+        CdSO4:H2O = Cd+2 + SO4-2 + H2O
+        log_k -1.657
+        delta_h -7.52 kcal
 
-CdSO4:2.7H2O        331
-        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O 
-        log_k           -1.873
+CdSO4:2.7H2O 331
+        CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
+        log_k -1.873
         delta_h -4.3 kcal
 
-Greenockite         332
-        CdS + H+ = Cd+2 + HS- 
-        log_k           -15.930
-        delta_h 16.360 kcal
+Greenockite 332
+        CdS + H+ = Cd+2 + HS-
+        log_k -15.93
+        delta_h 16.36 kcal
 
-JarositeH           337
-        (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O 
-        log_k           -5.390
-        delta_h -55.150 kcal
+JarositeH 337
+        (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
+        log_k -5.39
+        delta_h -55.15 kcal
 
-AlumK               338
-        KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O 
-        log_k           -5.170
-        delta_h 7.220 kcal
+AlumK 338
+        KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
+        log_k -5.17
+        delta_h 7.22 kcal
 
-Melanterite         339
-        FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O 
-        log_k           -2.209
+Melanterite 339
+        FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
+        log_k -2.209
         delta_h 4.91 kcal
-        -analytical     1.447   -0.004153       0.0     0.0     -214949.0
+        -analytical 1.447 -0.004153 0 0 -214949
 
-Epsomite            340
-        MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O 
-        log_k           -2.140
-        delta_h 2.820 kcal
+Epsomite 340
+        MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
+        log_k -2.14
+        delta_h 2.82 kcal
 
-PbMetal             360
-        Pb = Pb+2 + 2e- 
-        log_k           4.270
+PbMetal 360
+        Pb = Pb+2 + 2 e-
+        log_k 4.27
         delta_h 0.4 kcal
 
-Pb(BO2)2            361
-        Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 
-        log_k           7.610
+Pb(BO2)2 361
+        Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
+        log_k 7.61
         delta_h -5.8 kcal
 
-Cotunnite           362
-        PbCl2 = Pb+2 + 2Cl- 
-        log_k           -4.770
+Cotunnite 362
+        PbCl2 = Pb+2 + 2 Cl-
+        log_k -4.77
         delta_h 5.6 kcal
 
-Matlockite          363
-        PbClF = Pb+2 + Cl- + F- 
-        log_k           -9.430
-        delta_h 7.950 kcal
+Matlockite 363
+        PbClF = Pb+2 + Cl- + F-
+        log_k -9.43
+        delta_h 7.95 kcal
 
-Phosgenite          364
-        PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 
-        log_k           -19.810
+Phosgenite 364
+        PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
+        log_k -19.81
 
-Cerussite           365
-        PbCO3 = Pb+2 + CO3-2 
-        log_k           -13.13
+Cerussite 365
+        PbCO3 = Pb+2 + CO3-2
+        log_k -13.13
         delta_h 4.86 kcal
 
-PbF2                366
-        PbF2 = Pb+2 + 2F- 
-        log_k           -7.440
+PbF2 366
+        PbF2 = Pb+2 + 2 F-
+        log_k -7.44
         delta_h -0.7 kcal
 
-Massicot            367
-        PbO + 2H+ = Pb+2 + H2O 
-        log_k           12.910
-        delta_h -16.780 kcal
+Massicot 367
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.91
+        delta_h -16.78 kcal
 
-Litharge            368
-        PbO + 2H+ = Pb+2 + H2O 
-        log_k           12.720
-        delta_h -16.380 kcal
+Litharge 368
+        PbO + 2 H+ = Pb+2 + H2O
+        log_k 12.72
+        delta_h -16.38 kcal
 
-PbO:0.3H2O          369
-        PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O 
-        log_k           12.980
+PbO:0.3H2O 369
+        PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
+        log_k 12.98
 
-Pb2OCO3             370
-        PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O 
-        log_k           -0.5
-        delta_h -11.460 kcal
+Pb2OCO3 370
+        PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O
+        log_k -0.5
+        delta_h -11.46 kcal
 
-Larnakite           371
-        PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O 
-        log_k           -0.280
-        delta_h -6.440 kcal
+Larnakite 371
+        PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
+        log_k -0.28
+        delta_h -6.44 kcal
 
-Pb3O2SO4            372
-        PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O 
-        log_k           10.4
-        delta_h -20.750 kcal
+Pb3O2SO4 372
+        PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
+        log_k 10.4
+        delta_h -20.75 kcal
 
-Pb4O3SO4            373
-        PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O 
-        log_k           22.1
-        delta_h -35.070 kcal
+Pb4O3SO4 373
+        PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
+        log_k 22.1
+        delta_h -35.07 kcal
 
-PbHPO4              374
-        PbHPO4 = Pb+2 + HPO4-2 
-        log_k           -11.460
-        delta_h 7.040 kcal
+PbHPO4 374
+        PbHPO4 = Pb+2 + HPO4-2
+        log_k -11.46
+        delta_h 7.04 kcal
 
-Pb3(PO4)2           375
-        Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 
-        log_k           -19.670
-        delta_h -1.670 kcal
+Pb3(PO4)2 375
+        Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2
+        log_k -19.67
+        delta_h -1.67 kcal
 
-Clpyromorphite      376
-        Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- 
-        log_k           -84.430
+Clpyromorphite 376
+        Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
+        log_k -84.43
 
-Hxypyromorphite     377
-        Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O 
-        log_k           -62.790
+Hxypyromorphite 377
+        Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
+        log_k -62.79
 
-Pb3O2CO3            378
-        PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O 
-        log_k           11.020
-        delta_h -26.430 kcal
+Pb3O2CO3 378
+        PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
+        log_k 11.02
+        delta_h -26.43 kcal
 
-Plumbogummite       379
-        PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O 
-        log_k           -32.790
+Plumbogummite 379
+        PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
+        log_k -32.79
 
-Hinsdalite          380
-        PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O 
-        log_k           -2.5
+Hinsdalite 380
+        PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
+        log_k -2.5
 
-Tsumebite           381
-        Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O 
-        log_k           -9.790
+Tsumebite 381
+        Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
+        log_k -9.79
 
-PbSiO3              382
-        PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 
-        log_k           7.320
-        delta_h -9.260 kcal
+PbSiO3 382
+        PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4
+        log_k 7.32
+        delta_h -9.26 kcal
 
-Pb2SiO4             383
-        Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 
-        log_k           19.760
-        delta_h -26.0 kcal
+Pb2SiO4 383
+        Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4
+        log_k 19.76
+        delta_h -26 kcal
 
-Anglesite           384
-        PbSO4 = Pb+2 + SO4-2 
-        log_k           -7.79
+Anglesite 384
+        PbSO4 = Pb+2 + SO4-2
+        log_k -7.79
         delta_h 2.15 kcal
 
-Galena              385
-        PbS + H+ = Pb+2 + HS- 
-        log_k           -12.780
+Galena 385
+        PbS + H+ = Pb+2 + HS-
+        log_k -12.78
         delta_h 19.4 kcal
 
-Plattnerite         386
-        PbO2 + 4H+ + 2e- = Pb+2 + 2H2O 
-        log_k           49.3
-        delta_h -70.730 kcal
+Plattnerite 386
+        PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
+        log_k 49.3
+        delta_h -70.73 kcal
 
-Pb2O3               387
-        Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O 
-        log_k           61.040
+Pb2O3 387
+        Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
+        log_k 61.04
 
-Minium              388
-        Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O 
-        log_k           73.690
-        delta_h -102.760 kcal
+Minium 388
+        Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
+        log_k 73.69
+        delta_h -102.76 kcal
 
-Pb(OH)2             389
-        Pb(OH)2 + 2H+ = Pb+2 + 2H2O 
-        log_k           8.15
+Pb(OH)2 389
+        Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
+        log_k 8.15
         delta_h -13.99 kcal
 
-Laurionite          390
-        PbOHCl + H+ = Pb+2 + Cl- + H2O 
-        log_k           0.623
+Laurionite 390
+        PbOHCl + H+ = Pb+2 + Cl- + H2O
+        log_k 0.623
 
-Pb2(OH)3Cl          391
-        Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- 
-        log_k           8.793
+Pb2(OH)3Cl 391
+        Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
+        log_k 8.793
 
-Hydrocerussite      392
-        Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O 
-        log_k           -17.460
+Hydrocerussite 392
+        Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O
+        log_k -17.46
 
-Pb2O(OH)2           393
-        PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O 
-        log_k           26.2
+Pb2O(OH)2 393
+        PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
+        log_k 26.2
 
-Pb4(OH)6SO4         394
-        Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O 
-        log_k           21.1
+Pb4(OH)6SO4 394
+        Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
+        log_k 21.1
 
-SiO2(a)             395
-        SiO2 + 2H2O = H4SiO4 
-        log_k           -2.71
+SiO2(a) 395
+        SiO2 + 2 H2O = H4SiO4
+        log_k -2.71
         delta_h 3.34 kcal
-        -analytical     -0.26   0.0     -731.0  0.0     0.0
+        -analytical -0.26 0 -731 0 0
 
-FCO3Apatite         396
-        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
-        log_k           -114.4
-        delta_h 39.390 kcal
+FCO3Apatite 396
+        Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
+        log_k -114.4
+        delta_h 39.39 kcal
 
-BaF2                398
-        BaF2 = Ba+2 + 2F- 
-        log_k           -5.760
-        delta_h 1.0 kcal
+BaF2 398
+        BaF2 = Ba+2 + 2 F-
+        log_k -5.76
+        delta_h 1 kcal
 
-SrF2                399
-        SrF2 = Sr+2 + 2F- 
-        log_k           -8.540
-        delta_h 1.250 kcal
+SrF2 399
+        SrF2 = Sr+2 + 2 F-
+        log_k -8.54
+        delta_h 1.25 kcal
 
-Dolomite            401
-        CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 
-        log_k           -17.09
+Dolomite 401
+        CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+        log_k -17.09
         delta_h -9.436 kcal
 
-Sulfur              402
-        S + 2e- = S-2 
-        log_k           -15.026
+Sulfur 402
+        S + 2 e- = S-2
+        log_k -15.026
         delta_h 7.9 kcal
 
-NiCO3               410
-        NiCO3 = Ni+2 + CO3-2 
-        log_k           -6.840
-        delta_h -9.940 kcal
+NiCO3 410
+        NiCO3 = Ni+2 + CO3-2
+        log_k -6.84
+        delta_h -9.94 kcal
 
-Ni(OH)2             411
-        Ni(OH)2 + 2H+ = Ni+2 + 2H2O 
-        log_k           10.8
-        delta_h 30.450 kcal
+Ni(OH)2 411
+        Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
+        log_k 10.8
+        delta_h 30.45 kcal
 
-Ni4(OH)6SO4         412
-        Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O 
-        log_k           32.0
+Ni4(OH)6SO4 412
+        Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
+        log_k 32
 
-Bunsenite           413
-        NiO + 2H+ = Ni+2 + H2O 
-        log_k           12.450
-        delta_h -23.920 kcal
+Bunsenite 413
+        NiO + 2 H+ = Ni+2 + H2O
+        log_k 12.45
+        delta_h -23.92 kcal
 
-Ni3(PO4)2           414
-        Ni3(PO4)2 = 3Ni+2 + 2PO4-3 
-        log_k           -31.3
+Ni3(PO4)2 414
+        Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
+        log_k -31.3
 
-Millerite           415
-        NiS + H+ = Ni+2 + HS- 
-        log_k           -8.042
+Millerite 415
+        NiS + H+ = Ni+2 + HS-
+        log_k -8.042
         delta_h 2.5 kcal
 
-Retgersite          416
-        NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O 
-        log_k           -2.040
+Retgersite 416
+        NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
+        log_k -2.04
         delta_h 1.1 kcal
 
-Morenosite          417
-        NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O 
-        log_k           -2.360
-        delta_h 2.940 kcal
+Morenosite 417
+        NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
+        log_k -2.36
+        delta_h 2.94 kcal
 
-Ni2SiO4             418
-        Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 
-        log_k           14.540
-        delta_h -33.360 kcal
+Ni2SiO4 418
+        Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4
+        log_k 14.54
+        delta_h -33.36 kcal
 
-Fe3(OH)8            419
-        Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O 
-        log_k           20.222
+Fe3(OH)8 419
+        Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
+        log_k 20.222
 
-Dioptase            420
-        CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 
-        log_k           6.5
-        delta_h -8.960 kcal
+Dioptase 420
+        CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4
+        log_k 6.5
+        delta_h -8.96 kcal
 
-AgMetal             437
-        Ag = Ag+ + e- 
-        log_k           -13.510
+AgMetal 437
+        Ag = Ag+ + e-
+        log_k -13.51
         delta_h 25.234 kcal
 
-Bromyrite           438
-        AgBr = Ag+ + Br- 
-        log_k           -12.270
-        delta_h 20.170 kcal
+Bromyrite 438
+        AgBr = Ag+ + Br-
+        log_k -12.27
+        delta_h 20.17 kcal
 
-Cerargyrite         439
-        AgCl = Ag+ + Cl- 
-        log_k           -9.750
+Cerargyrite 439
+        AgCl = Ag+ + Cl-
+        log_k -9.75
         delta_h 15.652 kcal
 
-Ag2CO3              440
-        Ag2CO3 = 2Ag+ + CO3-2 
-        log_k           -11.070
-        delta_h 9.530 kcal
+Ag2CO3 440
+        Ag2CO3 = 2 Ag+ + CO3-2
+        log_k -11.07
+        delta_h 9.53 kcal
 
-AgF:4H2O            441
-        AgF:4H2O = Ag+ + F- + 4H2O 
-        log_k           0.550
-        delta_h 4.270 kcal
+AgF:4H2O 441
+        AgF:4H2O = Ag+ + F- + 4 H2O
+        log_k 0.55
+        delta_h 4.27 kcal
 
-Iodyrite            442
-        AgI = Ag+ + I- 
-        log_k           -16.070
-        delta_h 26.820 kcal
+Iodyrite 442
+        AgI = Ag+ + I-
+        log_k -16.07
+        delta_h 26.82 kcal
 
-Ag2O                443
-        Ag2O + 2H+ = 2Ag+ + H2O 
-        log_k           12.580
-        delta_h -10.430 kcal
+Ag2O 443
+        Ag2O + 2 H+ = 2 Ag+ + H2O
+        log_k 12.58
+        delta_h -10.43 kcal
 
-Ag3PO4              444
-        Ag3PO4 = 3Ag+ + PO4-3 
-        log_k           -17.550
+Ag3PO4 444
+        Ag3PO4 = 3 Ag+ + PO4-3
+        log_k -17.55
 
-Acanthite           445
-        Ag2S + H+ = 2Ag+ + HS- 
-        log_k           -36.050
+Acanthite 445
+        Ag2S + H+ = 2 Ag+ + HS-
+        log_k -36.05
         delta_h 53.3 kcal
 
-Ag2SO4              446
-        Ag2SO4 = 2Ag+ + SO4-2 
-        log_k           -4.920
-        delta_h 4.250 kcal
+Ag2SO4 446
+        Ag2SO4 = 2 Ag+ + SO4-2
+        log_k -4.92
+        delta_h 4.25 kcal
 
-CuBr                459
-        CuBr = Cu+ + Br- 
-        log_k           -8.210
-        delta_h 13.080 kcal
+CuBr 459
+        CuBr = Cu+ + Br-
+        log_k -8.21
+        delta_h 13.08 kcal
 
-CuI                 460
-        CuI = Cu+ + I- 
-        log_k           -11.890
-        delta_h 20.140 kcal
+CuI 460
+        CuI = Cu+ + I-
+        log_k -11.89
+        delta_h 20.14 kcal
 
-ZnBr2:2H2O          461
-        ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O 
-        log_k           5.210
-        delta_h -7.510 kcal
+ZnBr2:2H2O 461
+        ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
+        log_k 5.21
+        delta_h -7.51 kcal
 
-ZnI2                462
-        ZnI2 = Zn+2 + 2I- 
-        log_k           7.230
-        delta_h -13.440 kcal
+ZnI2 462
+        ZnI2 = Zn+2 + 2 I-
+        log_k 7.23
+        delta_h -13.44 kcal
 
-CdBr2:4H2O          463
-        CdBr2:4H2O = Cd+2 + 2Br- + 4H2O 
-        log_k           -2.420
-        delta_h 7.230 kcal
+CdBr2:4H2O 463
+        CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
+        log_k -2.42
+        delta_h 7.23 kcal
 
-CdI2                464
-        CdI2 = Cd+2 + 2I- 
-        log_k           -3.610
-        delta_h 4.080 kcal
+CdI2 464
+        CdI2 = Cd+2 + 2 I-
+        log_k -3.61
+        delta_h 4.08 kcal
 
-PbBr2               465
-        PbBr2 = Pb+2 + 2Br- 
-        log_k           -5.180
+PbBr2 465
+        PbBr2 = Pb+2 + 2 Br-
+        log_k -5.18
         delta_h 8.1 kcal
 
-PbBrF               466
-        PbBrF = Pb+2 + Br- + F- 
-        log_k           -8.490
+PbBrF 466
+        PbBrF = Pb+2 + Br- + F-
+        log_k -8.49
 
-PbI2                467
-        PbI2 = Pb+2 + 2I- 
-        log_k           -8.070
-        delta_h 15.160 kcal
+PbI2 467
+        PbI2 = Pb+2 + 2 I-
+        log_k -8.07
+        delta_h 15.16 kcal
 
-Jurbanite           471
-        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O 
-        log_k           -3.230
+Jurbanite 471
+        AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
+        log_k -3.23
 
-Basaluminite		472
-        Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O 
-        log_k           22.7
+Basaluminite 472
+        Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
+        log_k 22.7
 
-As_native		557
-        As + 3H2O = H3AsO3 + 3H+ + 3e- 
-	log_k		-12.532
-	delta_h		115.131 kJ
+As_native 557
+        As + 3 H2O = H3AsO3 + 3 H+ + 3 e-
+	log_k -12.532
+	delta_h 115.131 kJ
 
-As2O5(cr)             488
-        As2O5 + 3H2O = 2H3AsO4 
-        log_k           8.228
-        delta_h 	-31.619 kJ
+As2O5(cr) 488
+        As2O5 + 3 H2O = 2 H3AsO4
+        log_k 8.228
+        delta_h -31.619 kJ
 
-AlAsO4:2H2O         489
-        AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O 
-        log_k           -15.837
+AlAsO4:2H2O 489
+        AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O
+        log_k -15.837
 
-Ca3(AsO4)2:4w       490
-        Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O 
-        log_k           -18.905
+Ca3(AsO4)2:4w 490
+        Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O
+        log_k -18.905
 
-Cu3(AsO4)2:6w       491
-        Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O 
-        log_k           -35.123
+Cu3(AsO4)2:6w 491
+        Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O
+        log_k -35.123
 
-Scorodite           492
-        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O 
-        log_k           -20.249
+Scorodite 492
+        FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O
+        log_k -20.249
 
-Mn3(AsO4)2:8H2O      493
-        Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O 
-        log_k           -28.707
+Mn3(AsO4)2:8H2O 493
+        Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O
+        log_k -28.707
 
-Ni3(AsO4)2:8H2O     494
-        Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O 
-        log_k           -25.511
+Ni3(AsO4)2:8H2O 494
+        Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O
+        log_k -25.511
 
-Pb3(AsO4)2          495
-        Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 
-        log_k           -35.403
+Pb3(AsO4)2 495
+        Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3
+        log_k -35.403
 
-Zn3(AsO4)2:2.5w     496
-        Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O 
-        log_k           -27.546
+Zn3(AsO4)2:2.5w 496
+        Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O
+        log_k -27.546
 
-Arsenolite          497
-#        As4O6 + 6H2O = 4H3AsO3 
+Arsenolite 497
+#        As4O6 + 6H2O = 4H3AsO3
 #        log_k           -2.801
 #        delta_h 14.330 kcal
-	As2O3 + 3H2O = 2H3AsO3	
-	log_k	-1.38	
-	delta_h	30.041 kJ
+	As2O3 + 3 H2O = 2 H3AsO3	
+	log_k -1.38
+	delta_h 30.041 kJ
 
-Claudetite          498
-#        As4O6 + 6H2O = 4H3AsO3 
+Claudetite 498
+#        As4O6 + 6H2O = 4H3AsO3
 #        log_k           -3.065
 #        delta_h 13.290 kcal
-	As2O3 + 3H2O = 2H3AsO3
-	log_k	-1.34	
-	delta_h	28.443 kJ
+	As2O3 + 3 H2O = 2 H3AsO3
+	log_k -1.34
+	delta_h 28.443 kJ
 
-AsI3                499
-        AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ 
-        log_k           4.155
+AsI3 499
+        AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
+        log_k 4.155
         delta_h 1.875 kcal
 
-Orpiment            500
-        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ 
+Orpiment 500
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
 #        log_k           -60.971
 #        delta_h 82.890 kcal
-	log_k	-46.3	
-	delta_h	263.1 kJ
+	log_k -46.3
+	delta_h 263.1 kJ
 
-As2S3(am)		132
-        As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ 
-	log_k	-44.9
-	delta_h	244.2 kJ
+As2S3(am) 132
+        As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
+	log_k -44.9
+	delta_h 244.2 kJ
 
-Realgar             501
-        AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- 
+Realgar 501
+        AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
 #        log_k           -19.747
 #        delta_h 30.545 kcal
-	log_k	-19.944	
-	delta_h	129.2625 kJ
+	log_k -19.944
+	delta_h 129.2625 kJ
 
-BlaubleiI           533
-        Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- 
-        log_k           -24.162
+BlaubleiI 533
+        Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
+        log_k -24.162
 
-BlaubleiII          534
-        Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- 
-        log_k           -27.279
+BlaubleiII 534
+        Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
+        log_k -27.279
 
-Anilite             535
-        Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- 
-        log_k           -31.878
+Anilite 535
+        Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
+        log_k -31.878
         delta_h 43.535 kcal
 
-Djurleite           536
-        Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- 
-        log_k           -33.920
+Djurleite 536
+        Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
+        log_k -33.92
         delta_h 47.881 kcal
 
-Portlandite         539
-        Ca(OH)2 + 2H+ = Ca+2 + 2H2O 
-        log_k           22.8
-        delta_h -31.0 kcal
+Portlandite 539
+        Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
+        log_k 22.8
+        delta_h -31 kcal
 
-Ba3(AsO4)2          541
-        Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 
-        log_k           -50.110
+Ba3(AsO4)2 541
+        Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3
+        log_k -50.11
         delta_h 9.5 kcal
 
-Se(s)               550
-        Se + H+ + 2e- = HSe- 
-        log_k           -17.322
+Se(s) 550
+        Se + H+ + 2 e- = HSe-
+        log_k -17.322
 
 #SemetalSe4          551
-#       Se + 3H2O = SeO3-2 + 6H+ + 4e- 
+#       Se + 3H2O = SeO3-2 + 6H+ + 4e-
 #       log_k           -59.836
 
-FeSe2               552
-        FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- 
-        log_k           -18.580
+FeSe2 552
+        FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe-
+        log_k -18.58
 
-SeO2                553
-        SeO2 + H2O = SeO3-2 + 2H+ 
-        log_k           -8.380
+SeO2 553
+        SeO2 + H2O = SeO3-2 + 2 H+
+        log_k -8.38
 
-CaSeO3              554
-        CaSeO3 = Ca+2 + SeO3-2 
-        log_k           -5.6
+CaSeO3 554
+        CaSeO3 = Ca+2 + SeO3-2
+        log_k -5.6
 
-BaSeO3              555
-        BaSeO3 = Ba+2 + SeO3-2 
-        log_k           -6.390
+BaSeO3 555
+        BaSeO3 = Ba+2 + SeO3-2
+        log_k -6.39
 
-Fe2(SeO3)3          556
-        Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 
-        log_k           -35.430
+Fe2(SeO3)3 556
+        Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2
+        log_k -35.43
 
-Rhodochrosite       564
-        MnCO3 = Mn+2 + CO3-2 
-        log_k           -11.13
+Rhodochrosite 564
+        MnCO3 = Mn+2 + CO3-2
+        log_k -11.13
         delta_h -1.43 kcal
 
-Na4UO2(CO3)3        571
-        Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 
-        log_k           -16.290
+Na4UO2(CO3)3 571
+        Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2
+        log_k -16.29
 
-Uraninite(c)        573
-        UO2 + 4H+ = U+4 + 2H2O 
-        log_k           -4.8
-        delta_h -18.610 kcal
+Uraninite(c) 573
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k -4.8
+        delta_h -18.61 kcal
 
-UO2(a)              574
-        UO2 + 4H+ = U+4 + 2H2O 
-        log_k           0.1
+UO2(a) 574
+        UO2 + 4 H+ = U+4 + 2 H2O
+        log_k 0.1
 
-U4O9(c)             575
-        U4O9 + 18H+ + 2e- = 4U+4 + 9H2O 
-        log_k           -3.384
+U4O9(c) 575
+        U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
+        log_k -3.384
         delta_h -101.235 kcal
 
-U3O8(c)             576
-        U3O8 + 16H+ + 4e- = 3U+4 + 8H2O 
-        log_k           20.530
-        delta_h -116.0 kcal
+U3O8(c) 576
+        U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
+        log_k 20.53
+        delta_h -116 kcal
 
-Coffinite           577
-        USiO4 + 4H+ = U+4 + H4SiO4 
-        log_k           -7.670
+Coffinite 577
+        USiO4 + 4 H+ = U+4 + H4SiO4
+        log_k -7.67
         delta_h -11.6 kcal
 
-UF4(c)              584
-        UF4 = U+4 + 4F- 
-        log_k           -18.606
+UF4(c) 584
+        UF4 = U+4 + 4 F-
+        log_k -18.606
         delta_h -18.9 kcal
 
-UF4:2.5H2O          585
-        UF4:2.5H2O = U+4 + 4F- + 2.5H2O 
-        log_k           -27.570
+UF4:2.5H2O 585
+        UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
+        log_k -27.57
         delta_h -0.588 kcal
 
-U(OH)2SO4           591
-        U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O 
-        log_k           -3.2
+U(OH)2SO4 591
+        U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O
+        log_k -3.2
 
-UO2HPO4:4H2O        592
-        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O 
-        log_k           -11.850
+UO2HPO4:4H2O 592
+        UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O
+        log_k -11.85
 
-U(HPO4)2:4H2O       593
-        U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O 
-        log_k           -55.3
-        delta_h 3.840 kcal
+U(HPO4)2:4H2O 593
+        U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O
+        log_k -55.3
+        delta_h 3.84 kcal
 
-Ningyoite           594
-        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O 
-        log_k           -53.906
-        delta_h -2.270 kcal
+Ningyoite 594
+        CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
+        log_k -53.906
+        delta_h -2.27 kcal
 
-UO3(gamma)              599
-        UO3 + 2H+ = UO2+2 + H2O 
-        log_k           7.719
+UO3(gamma) 599
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 7.719
         delta_h -19.315 kcal
 
-Gummite             600
-        UO3 + 2H+ = UO2+2 + H2O 
-        log_k           10.403
+Gummite 600
+        UO3 + 2 H+ = UO2+2 + H2O
+        log_k 10.403
         delta_h -23.015 kcal
 
-B-UO2(OH)2          601
-        UO2(OH)2 + 2H+ = UO2+2 + 2H2O 
-        log_k           5.544
-        delta_h -13.730 kcal
+B-UO2(OH)2 601
+        UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
+        log_k 5.544
+        delta_h -13.73 kcal
 
-Schoepite           602
-        UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O 
-        log_k           5.404
+Schoepite 602
+        UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
+        log_k 5.404
         delta_h -12.045 kcal
 
-Rutherfordine       606
-        UO2CO3 = UO2+2 + CO3-2 
-        log_k           -14.450
-        delta_h -1.440 kcal
+Rutherfordine 606
+        UO2CO3 = UO2+2 + CO3-2
+        log_k -14.45
+        delta_h -1.44 kcal
 
-(UO2)3(PO4)2:4w     619
-        (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O 
-        log_k           -37.4
+(UO2)3(PO4)2:4w 619
+        (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O
+        log_k -37.4
         delta_h 41.5 kcal
 
-H-Autunite          620
-        H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 
-        log_k           -47.931
+H-Autunite 620
+        H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.931
         delta_h -3.6 kcal
 
-Na-Autunite         621
-        Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 
-        log_k           -47.409
-        delta_h -0.460 kcal
+Na-Autunite 621
+        Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3
+        log_k -47.409
+        delta_h -0.46 kcal
 
-K-Autunite          622
-        K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 
-        log_k           -48.244
-        delta_h 5.860 kcal
+K-Autunite 622
+        K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3
+        log_k -48.244
+        delta_h 5.86 kcal
 
-Uramphite           623
-        (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 
-        log_k           -51.749
+Uramphite 623
+        (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3
+        log_k -51.749
         delta_h 9.7 kcal
 
-Saleeite            624
-        Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 
-        log_k           -43.646
-        delta_h -20.180 kcal
+Saleeite 624
+        Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.646
+        delta_h -20.18 kcal
 
-Autunite            625
-        Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 
-        log_k           -43.927
-        delta_h -14.340 kcal
+Autunite 625
+        Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3
+        log_k -43.927
+        delta_h -14.34 kcal
 
-Sr-Autunite         626
-        Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.457
-        delta_h -13.050 kcal
+Sr-Autunite 626
+        Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.457
+        delta_h -13.05 kcal
 
-Uranocircite        627
-        Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.631
+Uranocircite 627
+        Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.631
         delta_h -10.1 kcal
 
-Bassetite           628
-        Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.485
+Bassetite 628
+        Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.485
         delta_h -19.9 kcal
 
-Torbernite          629
-        Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 
-        log_k           -45.279
+Torbernite 629
+        Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3
+        log_k -45.279
         delta_h -15.9 kcal
 
-Przhevalskite       630
-        Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 
-        log_k           -44.365
-        delta_h -11.0 kcal
+Przhevalskite 630
+        Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3
+        log_k -44.365
+        delta_h -11 kcal
 
-Uranophane          632
-        Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 
-        log_k           17.489
+Uranophane 632
+        Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4
+        log_k 17.489
 
-CO2(g)    
-        CO2 = CO2                                                                   
-        log_k           -1.468
+CO2(g)
+        CO2 = CO2
+        log_k -1.468
         delta_h -4.776 kcal
-        -analytical     108.3865      0.01985076   -6919.53      -40.45154      669365.0
+        -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365
 
 O2(g)
-        O2 = O2                                                                  
+        O2 = O2
 #        log_k           -2.960
 #        delta_h -1.844 kcal
 	 # log K from llnl.dat  Aug 23, 2005
-        log_k           -2.8983
-        -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
+        log_k -2.8983
+        -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
 
 H2(g)
-        H2 = H2                                                                  
-        log_k           -3.150
+        H2 = H2
+        log_k -3.15
         delta_h -1.759 kcal
 
 N2(g)
-        N2 = N2                                                                  
-        log_k           -3.260
+        N2 = N2
+        log_k -3.26
         delta_h -1.358 kcal
 
 H2S(g)
-        H2S = H2S                                                                  
-        log_k           -0.997
-        delta_h -4.570 kcal
+        H2S = H2S
+        log_k -0.997
+        delta_h -4.57 kcal
 
 CH4(g)
-        CH4 = CH4                                                                
-        log_k           -2.860
+        CH4 = CH4
+        log_k -2.86
         delta_h -3.373 kcal
 
 NH3(g)
-        NH3 = NH3                                                                
-        log_k           1.770
-        delta_h -8.170 kcal
+        NH3 = NH3
+        log_k 1.77
+        delta_h -8.17 kcal
 
 EXCHANGE_MASTER_SPECIES
-        X       X-      
+        X X-
 
 EXCHANGE_SPECIES
         X- = X-
-        log_k           0.0
+        log_k 0
 
         Na+ + X- = NaX
-        log_k           0.0
+        log_k 0
 
         K+ + X- = KX
-        log_k           0.7
+        log_k 0.7
 
         Li+ + X- = LiX
-        log_k           -0.08
+        log_k -0.08
 
         H+ + X- = HX
-        log_k           1.0
+        log_k 1
 
         NH4+ + X- = NH4X
-        log_k           0.6
+        log_k 0.6
 
-        Ca+2 + 2X- = CaX2
-        log_k           0.8
+        Ca+2 + 2 X- = CaX2
+        log_k 0.8
 
-        Mg+2 + 2X- = MgX2
-        log_k           0.6
+        Mg+2 + 2 X- = MgX2
+        log_k 0.6
 
-        Sr+2 + 2X- = SrX2
-        log_k           0.91
+        Sr+2 + 2 X- = SrX2
+        log_k 0.91
 
-        Ba+2 + 2X- = BaX2
-        log_k           0.91
+        Ba+2 + 2 X- = BaX2
+        log_k 0.91
 
-        Mn+2 + 2X- = MnX2
-        log_k           0.52
+        Mn+2 + 2 X- = MnX2
+        log_k 0.52
 
-        Fe+2 + 2X- = FeX2
-        log_k           0.44
+        Fe+2 + 2 X- = FeX2
+        log_k 0.44
 
-        Cu+2 + 2X- = CuX2
-        log_k           0.6
+        Cu+2 + 2 X- = CuX2
+        log_k 0.6
 
-        Zn+2 + 2X- = ZnX2
-        log_k           0.8
+        Zn+2 + 2 X- = ZnX2
+        log_k 0.8
 
-        Cd+2 + 2X- = CdX2
-        log_k           0.8
+        Cd+2 + 2 X- = CdX2
+        log_k 0.8
 
-        Pb+2 + 2X- = PbX2
-        log_k           1.05
+        Pb+2 + 2 X- = PbX2
+        log_k 1.05
 
-        Al+3 + 3X- = AlX3
-        log_k           0.67
+        Al+3 + 3 X- = AlX3
+        log_k 0.67
 
 SURFACE_MASTER_SPECIES
-        Hfo_s  Hfo_sOH
-        Hfo_w  Hfo_wOH
+        Hfo_s Hfo_sOH
+        Hfo_w Hfo_wOH
 SURFACE_SPECIES
-#   All surface data from 
+#   All surface data from
 #   Dzombak and Morel, 1990
 #
 #
 #   Acid-base data from table 5.7
 #
-#   strong binding site--Hfo_s, 
+#   strong binding site--Hfo_s,
 
         Hfo_sOH = Hfo_sOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_sOH  + H+ = Hfo_sOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_sOH + H+ = Hfo_sOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_sOH = Hfo_sO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 #   weak binding site--Hfo_w
 
         Hfo_wOH = Hfo_wOH
-        log_k  0.0
+        log_k 0
 
-        Hfo_wOH  + H+ = Hfo_wOH2+
-        log_k  7.29    # = pKa1,int
+        Hfo_wOH + H+ = Hfo_wOH2+
+        log_k 7.29 # = pKa1,int
 
         Hfo_wOH = Hfo_wO- + H+
-        log_k  -8.93   # = -pKa2,int
+        log_k -8.93 # = -pKa2,int
 
 ###############################################
 #             CATIONS                         #
@@ -3552,64 +3556,64 @@ SURFACE_SPECIES
 #
 #   Calcium
         Hfo_sOH + Ca+2 = Hfo_sOHCa+2
-        log_k  4.97
+        log_k 4.97
 
         Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
         log_k -5.85
 #   Strontium
         Hfo_sOH + Sr+2 = Hfo_sOHSr+2
-        log_k  5.01
+        log_k 5.01
 
         Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
         log_k -6.58
 
-        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
-        log_k -17.60
+        Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
+        log_k -17.6
 #   Barium
         Hfo_sOH + Ba+2 = Hfo_sOHBa+2
-        log_k  5.46
+        log_k 5.46
 
         Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
-        log_k  -7.2                     # table 10.5
+        log_k -7.2 # table 10.5
 #
 #   Cations from table 10.2
 #
 #   Silver
         Hfo_sOH + Ag+ = Hfo_sOAg + H+
-        log_k  -1.72
+        log_k -1.72
 
         Hfo_wOH + Ag+ = Hfo_wOAg + H+
-        log_k  -5.3                     # table 10.5
+        log_k -5.3 # table 10.5
 #   Nickel
         Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
-        log_k  0.37
+        log_k 0.37
 
         Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
-        log_k  -2.5                     # table 10.5
+        log_k -2.5 # table 10.5
 #   Cadmium
         Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
-        log_k  0.47
+        log_k 0.47
 
         Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
-        log_k   -2.91
+        log_k -2.91
 #   Zinc
         Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
-        log_k  0.99
+        log_k 0.99
 
         Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
-        log_k   -1.99
+        log_k -1.99
 #   Copper
         Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
-        log_k  2.89
+        log_k 2.89
 
         Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
-        log_k  0.6                      # table 10.5
+        log_k 0.6 # table 10.5
 #   Lead
         Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
-        log_k  4.65
+        log_k 4.65
 
         Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
-        log_k  0.3                      # table 10.5
+        log_k 0.3 # table 10.5
 #
 #   Derived constants table 10.5
 #
@@ -3619,17 +3623,17 @@ SURFACE_SPECIES
 
 #   Manganese
         Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
-        log_k  -0.4                     # table 10.5
+        log_k -0.4 # table 10.5
 
         Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
-        log_k -3.5                      # table 10.5
+        log_k -3.5 # table 10.5
 
 #   Uranyl
         Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+
-        log_k  5.2                      # table 10.5
+        log_k 5.2 # table 10.5
 
         Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+
-        log_k  2.8                      # table 10.5
+        log_k 2.8 # table 10.5
 
 # Iron
 #        Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
@@ -3641,91 +3645,91 @@ SURFACE_SPECIES
 
 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm.
          Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
-         log_k   -0.95
+         log_k -0.95
 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
          Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
          log_k -2.98
 
-         Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
+         Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+
          log_k -11.55
 
 ###############################################
 #             ANIONS                          #
 ###############################################
 #
-#   Anions from table 10.6                    
+#   Anions from table 10.6
 #
 #   Phosphate
-        Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
-        log_k   31.29
+        Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
+        log_k 31.29
 
-        Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
-        log_k   25.39
+        Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
+        log_k 25.39
 
         Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
-        log_k   17.72
+        log_k 17.72
 #   Arsenate
-        Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O
-        log_k   29.31
+        Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O
+        log_k 29.31
 
-        Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O
-        log_k   23.51
+        Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O
+        log_k 23.51
 
         Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3
-        log_k   10.58
+        log_k 10.58
 #
 #   Anions from table 10.7
 #
 #   Arsenite
         Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
-        log_k   5.41
+        log_k 5.41
 #   Borate
         Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
-        log_k   0.62
+        log_k 0.62
 #
 #   Anions from table 10.8
 #
 #   Sulfate
         Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
-        log_k   7.78
+        log_k 7.78
 
         Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
-        log_k   0.79
+        log_k 0.79
 #   Selenate
         Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O
-        log_k   7.73
+        log_k 7.73
 
         Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2
-        log_k   0.80
+        log_k 0.8
 #   Selenite
         Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O
-        log_k   12.69
+        log_k 12.69
 
         Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2
-        log_k   5.17
+        log_k 5.17
 #
 #   Derived constants table 10.10
 #
         Hfo_wOH + F- + H+ = Hfo_wF + H2O
-        log_k   8.7
+        log_k 8.7
 
         Hfo_wOH + F- = Hfo_wOHF-
-        log_k   1.6
+        log_k 1.6
 #
 # Carbonate: Van Geen et al., 1994 reoptimized for HFO
 # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
 #
        Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
-       log_k   12.56
+       log_k 12.56
 
-       Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
-       log_k   20.62
+       Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O
+       log_k 20.62
 #
 # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research, 33, 3413-3422.
 #
-	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O        ; log_K   4.28 
-	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O  ; log_K  -3.22 
-	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69
 
 RATES
 ###########
@@ -3743,15 +3747,15 @@ RATES
 
 Quartz
   -start
-1  REM  Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
-2  REM  k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
-3  REM  sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
-4  REM  PARM(1) = Specific area of Quartz, m^2/mol Quartz
-5  REM  PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
 
 10 dif_temp = 1/TK - 1/298
 20 pk_w = 13.7 + 4700.4 * dif_temp
-40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 -  SR("Quartz"))
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
 #			 Integrate...
 50 SAVE moles * TIME
   -end
@@ -3796,38 +3800,38 @@ Quartz
 
 K-feldspar
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Kspar m^2/mol Kspar
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM K-Feldspar parameters
-10  DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM K-Feldspar parameters
+10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("K-feldspar"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -3871,38 +3875,38 @@ K-feldspar
 
 Albite
  -start
-1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
-2   REM PARM(1) = Specific area of Albite m^2/mol Albite
-3   REM PARM(2) = Adjusts lab rate to field rate
-4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
-5   REM Albite parameters
-10  DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
-20  RESTORE 10
-30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
-40  DATA 3500, 2000, 2500, 2000
-50  RESTORE 40
-60  READ e_H, e_H2O, e_OH, e_CO2
-70  pk_CO2 = 13
-80  n_CO2 = 0.6
+1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2 REM PARM(1) = Specific area of Albite m^2/mol Albite
+3 REM PARM(2) = Adjusts lab rate to field rate
+4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5 REM Albite parameters
+10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20 RESTORE 10
+30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40 DATA 3500, 2000, 2500, 2000
+50 RESTORE 40
+60 READ e_H, e_H2O, e_OH, e_CO2
+70 pk_CO2 = 13
+80 n_CO2 = 0.6
 100 REM Generic rate follows
 110 dif_temp = 1/TK - 1/281
-120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
 130 REM rate by H+
-140 pk_H     = pk_H + e_H * dif_temp
-150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+140 pk_H = pk_H + e_H * dif_temp
+150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
 160 REM rate by hydrolysis
-170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+170 pk_H2O = pk_H2O + e_H2O * dif_temp
 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
 190 REM rate by OH-
-200 pk_OH    = pk_OH + e_OH * dif_temp
-210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+200 pk_OH = pk_OH + e_OH * dif_temp
+210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
 220 REM rate by CO2
-230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
-250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
-260 area     = PARM(1) * M0 *(M/M0)^0.67
-270 rate     = PARM(2) * area * rate * (1-SR("Albite"))
-280 moles    = rate * TIME
+250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area = PARM(1) * M0 *(M/M0)^0.67
+270 rate = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles = rate * TIME
 290 SAVE moles
  -end
 
@@ -3910,7 +3914,7 @@ Albite
 #Calcite
 ########
 # Example of KINETICS data block for calcite rate,
-#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
 # KINETICS 1
 # Calcite
 # -tol   1e-8
@@ -3921,16 +3925,16 @@ Albite
 
 Calcite
    -start
-1   REM   PARM(1) = specific surface area of calcite, cm^2/mol calcite
-2   REM   PARM(2) = exponent for M/M0
+1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2 REM PARM(2) = exponent for M/M0
 
-10  si_cc = SI("Calcite")
-20  IF (M <= 0  and si_cc < 0) THEN GOTO 200
-30  k1 = 10^(0.198 - 444.0 / TK )
-40  k2 = 10^(2.84 - 2177.0 /TK )
-50  IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
-60  IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
-80  IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+10 si_cc = SI("Calcite")
+20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
+30 k1 = 10^(0.198 - 444 / TK )
+40 k2 = 10^(2.84 - 2177 /TK )
+50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
+60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
+80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
 120 rate = rate * (1 - 10^(2/3*si_cc))
 130 moles = rate * 0.001 * TIME # convert from mmol to mol
@@ -3955,18 +3959,18 @@ Calcite
 #               -time 1 day in 10
 Pyrite
   -start
-1   REM        Williamson and Rimstidt, 1994
-2   REM        PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
-3   REM        PARM(2) = exp for (M/M0)
-4   REM        PARM(3) = exp for O2
-5   REM        PARM(4) = exp for H+
+1 REM Williamson and Rimstidt, 1994
+2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3 REM PARM(2) = exp for (M/M0)
+4 REM PARM(3) = exp for O2
+5 REM PARM(4) = exp for H+
 
-10  REM Dissolution in presence of DO
-20  if (M <= 0) THEN GOTO 200
-30  if (SI("Pyrite") >= 0) THEN GOTO 200
-40  log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
-50  log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
-60  moles = 10^(log_area + log_rate) * TIME
+10 REM Dissolution in presence of DO
+20 if (M <= 0) THEN GOTO 200
+30 if (SI("Pyrite") >= 0) THEN GOTO 200
+40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60 moles = 10^(log_area + log_rate) * TIME
 200 SAVE moles
   -end
 
@@ -3983,19 +3987,19 @@ Pyrite
 #               -time 30 year in 15
 Organic_C
  -start
-1   REM      Additive Monod kinetics for SOC (sediment organic carbon)
-2   REM      Electron acceptors: O2, NO3, and SO4
+1 REM Additive Monod kinetics for SOC (sediment organic carbon)
+2 REM Electron acceptors: O2, NO3, and SO4
 
-10  if (M <= 0) THEN GOTO 200
-20  mO2   = MOL("O2")
-30  mNO3  = TOT("N(5)")
-40  mSO4  = TOT("S(6)")
-50  k_O2  = 1.57e-9    # 1/sec
-60  k_NO3 = 1.67e-11   # 1/sec
-70  k_SO4 = 1.e-13     # 1/sec
-80  rate  = k_O2 * mO2/(2.94e-4 + mO2)
-90  rate  = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
-100 rate  = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+10 if (M <= 0) THEN GOTO 200
+20 mO2 = MOL("O2")
+30 mNO3 = TOT("N(5)")
+40 mSO4 = TOT("S(6)")
+50 k_O2 = 1.57e-9 # 1/sec
+60 k_NO3 = 1.67e-11 # 1/sec
+70 k_SO4 = 1.e-13 # 1/sec
+80 rate = k_O2 * mO2/(2.94e-4 + mO2)
+90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
 110 moles = rate * M * (M/M0) * TIME
 200 SAVE moles
  -end
@@ -4016,14 +4020,14 @@ Organic_C
 #               -time 0.5 day in 10
 Pyrolusite
   -start
-10  if (M <= 0) THEN GOTO 200
-20  sr_pl = SR("Pyrolusite")
-30  if (sr_pl > 1) THEN GOTO 100
-40  REM sr_pl <= 1, undersaturated
-50  Fe_t = TOT("Fe(2)")
-60  if Fe_t < 1e-8 then goto 200
-70  moles = 6.98e-5 * Fe_t  * (M/M0)^0.67 * TIME * (1 - sr_pl)
-80  GOTO 200
+10 if (M <= 0) THEN GOTO 200
+20 sr_pl = SR("Pyrolusite")
+30 if (sr_pl > 1) THEN GOTO 100
+40 REM sr_pl <= 1, undersaturated
+50 Fe_t = TOT("Fe(2)")
+60 if Fe_t < 1e-8 then goto 200
+70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80 GOTO 200
 100 REM sr_pl > 1, supersaturated
 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
 200 SAVE moles * SOLN_VOL
diff --git a/examples/com/python/parallel_advect.py b/examples/com/python/parallel_advect.py
index f02b7096..a1229d8b 100644
--- a/examples/com/python/parallel_advect.py
+++ b/examples/com/python/parallel_advect.py
@@ -45,7 +45,7 @@ class CoupledModel(object):
                                             processes)
         self.reaction_model.make_initial_state()
         init_conc = dict([(name, [value] * ncells) for name, value in
-                          self.reaction_model.init_conc.items()])
+                          list(self.reaction_model.init_conc.items())])
         self.advection_model = AdvectionModel(init_conc,
                                               self.reaction_model.inflow_conc)
         self.component_names = self.reaction_model.component_names
@@ -56,7 +56,7 @@ class CoupledModel(object):
     def run(self):
         """Go over all time steps (shifts).
         """
-        for shift in xrange(self.nshifts):
+        for shift in range(self.nshifts):
             self.advection_model.advect()
             self.advection_model.save_results(self.results)
             self.reaction_model.modify(self.advection_model.conc)
@@ -155,7 +155,7 @@ class ReactionModel(object):
                                                 self.initial_conditions)
             self.calculators = [root_calculator]
             self.cell_ranges = [(0, root_ncells)]
-            for process in xrange(self.processes - 1):
+            for process in range(self.processes - 1):
                 self.calculators.append(PhreeqcCalculatorProxy(slave_ncells,
                                                     self.initial_conditions))
                 self.cell_ranges.append((current_cell,
@@ -193,7 +193,7 @@ class ReactionModel(object):
             self.conc[name] = []
         for cell_range, calculator in zip(self.cell_ranges, self.calculators):
             current_conc = dict([(name, value[cell_range[0]:cell_range[1]]) for
-                                  name, value in new_conc.items()])
+                                  name, value in list(new_conc.items())])
             calculator.modify(current_conc)
         for calculator in self.calculators:
             conc = calculator.get_modified()
@@ -251,7 +251,7 @@ class PhreeqcCalculator(object):
         code += self.make_selected_output(self.components)
         self.phreeqc.RunString(code)
         self.conc = self.get_selected_output()
-        all_names = self.conc.keys()
+        all_names = list(self.conc.keys())
         self.component_names = [name for name in all_names if name not in
                                 ('cb', 'H', 'O')]
         code = ''
@@ -270,7 +270,7 @@ class PhreeqcCalculator(object):
         end = self.ncells + 1
         conc.update(new_conc)
         modify = []
-        for index, cell in enumerate(xrange(1, end)):
+        for index, cell in enumerate(range(1, end)):
             modify.append("SOLUTION_MODIFY %d" % cell)
             modify.append("\t-cb      %e" % conc['cb'][index])
             modify.append("\t-total_h %s" % conc['H'][index])
@@ -375,7 +375,7 @@ class PhreeqcCalculatorProxy(object):
 def process_worker(ncells, initial_conditions, in_queue, out_queue):
     """This runs in another process.
     """
-    print 'Started process with ID', os.getpid()
+    print('Started process with ID', os.getpid())
     calculator = PhreeqcCalculator(ncells, initial_conditions)
     out_queue.put((calculator.inflow_conc, calculator.init_conc,
                   calculator.component_names))
@@ -393,7 +393,7 @@ def plot(ncells, outflow, specie_names):
     """
     colors = {'Ca': 'r', 'Cl': 'b', 'K': 'g', 'N': 'y', 'Na': 'm'}
     x = [i / float(ncells) for i in
-         xrange(1, len(outflow[specie_names[0]]) + 1)]
+         range(1, len(outflow[specie_names[0]]) + 1)]
     args = []
     for name in specie_names:
         args.extend([x, outflow[name], colors[name]])
@@ -410,15 +410,9 @@ def measure_time(func, *args, **kwargs):
     """Convenience function to measure run times.
     """
     import sys
-    if sys.platform == 'win32':
-        # time.clock is more accurate on Windows
-        timer_func = time.clock
-    else:
-        # but behaves differently on other platforms
-        timer_func = time.time
-    start = timer_func()
+    start = time.perf_counter()
     result = func(*args, **kwargs)
-    return result, time.clock() - start
+    return result, time.perf_counter() - start
 
 if __name__ == '__main__':
 
@@ -460,12 +454,12 @@ if __name__ == '__main__':
             model.run()
             return model, model.results
         (model, outflow), run_time = measure_time(run)
-        print 'Statistics'
-        print '=========='
-        print 'number of cells:    ', ncells
-        print 'number of shifts:   ', nshifts
-        print 'number of processes:', processes
-        print 'run_time:           ', run_time
+        print('Statistics')
+        print('==========')
+        print('number of cells:    ', ncells)
+        print('number of shifts:   ', nshifts)
+        print('number of processes:', processes)
+        print('run_time:           ', run_time)
         plot(ncells, outflow, model.component_names)
 
     main(ncells=400, nshifts=1200, processes=2)
diff --git a/gtest/CMakeLists.txt b/gtest/CMakeLists.txt
index a2ef9367..565ab4a6 100644
--- a/gtest/CMakeLists.txt
+++ b/gtest/CMakeLists.txt
@@ -28,59 +28,29 @@ target_link_libraries(TestSelectedOutput IPhreeqc gtest gtest_main gmock)
 gtest_discover_tests(TestSelectedOutput)
 
 if (MSVC AND BUILD_SHARED_LIBS)
-  # copy dlls
+  # copy dlls for TestCVar
   add_custom_command(TARGET TestCVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestCVar>
-    )
-  add_custom_command(TARGET TestCVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest> $<TARGET_FILE_DIR:TestCVar>
-    )
-  add_custom_command(TARGET TestCVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest_main> $<TARGET_FILE_DIR:TestCVar>
+    COMMAND ${CMAKE_COMMAND} -E copy_if_different $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestCVar>
     )
 
-  # copy dlls
+  # copy dlls for TestVar
   add_custom_command(TARGET TestVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestVar>
-    )
-  add_custom_command(TARGET TestVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest> $<TARGET_FILE_DIR:TestVar>
-    )
-  add_custom_command(TARGET TestVar PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest_main> $<TARGET_FILE_DIR:TestVar>
+    COMMAND ${CMAKE_COMMAND} -E copy_if_different $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestVar>
     )
 
-  # copy dlls
+  # copy dlls for TestIPhreeqcLib
   add_custom_command(TARGET TestIPhreeqcLib PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestIPhreeqcLib>
-    )
-  add_custom_command(TARGET TestIPhreeqcLib PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest> $<TARGET_FILE_DIR:TestIPhreeqcLib>
-    )
-  add_custom_command(TARGET TestIPhreeqcLib PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest_main> $<TARGET_FILE_DIR:TestIPhreeqcLib>
+    COMMAND ${CMAKE_COMMAND} -E copy_if_different $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestIPhreeqcLib>
     )
 
-  # copy dlls
+  # copy dlls for TestIPhreeqc
   add_custom_command(TARGET TestIPhreeqc PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestIPhreeqc>
-    )
-  add_custom_command(TARGET TestIPhreeqc PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest> $<TARGET_FILE_DIR:TestIPhreeqc>
-    )
-  add_custom_command(TARGET TestIPhreeqc PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest_main> $<TARGET_FILE_DIR:TestIPhreeqc>
+    COMMAND ${CMAKE_COMMAND} -E copy_if_different $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestIPhreeqc>
     )
 
-  # copy dlls
+  # copy dlls for TestSelectedOutput
   add_custom_command(TARGET TestSelectedOutput PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestSelectedOutput>
-    )
-  add_custom_command(TARGET TestSelectedOutput PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest> $<TARGET_FILE_DIR:TestSelectedOutput>
-    )
-  add_custom_command(TARGET TestSelectedOutput PRE_BUILD
-    COMMAND ${CMAKE_COMMAND} -E copy $<TARGET_FILE:gtest_main> $<TARGET_FILE_DIR:TestSelectedOutput>
+    COMMAND ${CMAKE_COMMAND} -E copy_if_different $<TARGET_FILE:IPhreeqc> $<TARGET_FILE_DIR:TestSelectedOutput>
     )
 endif()
 
@@ -92,6 +62,12 @@ configure_file(
   COPYONLY
   )
 
+configure_file(
+  phreeqc.dat.90a6449
+  phreeqc.dat.90a6449
+  COPYONLY
+  )
+
 configure_file(
   ../database/phreeqc.dat
   phreeqc.dat
diff --git a/gtest/Makefile.am b/gtest/Makefile.am
index 96867991..4932cb8c 100644
--- a/gtest/Makefile.am
+++ b/gtest/Makefile.am
@@ -7,8 +7,9 @@ EXTRA_DIST =\
 	iso.dat\
 	kinn20140218\
 	missing_e.dat\
-	multi_punch\
 	multi_punch_no_set\
+	multi_punch\
+	phreeqc.dat.90a6449\
 	phreeqc.dat.old\
 	TestCVar.cpp\
 	TestIPhreeqc.cpp\
diff --git a/gtest/TestIPhreeqc.cpp b/gtest/TestIPhreeqc.cpp
index 448aa985..cf0faf1d 100644
--- a/gtest/TestIPhreeqc.cpp
+++ b/gtest/TestIPhreeqc.cpp
@@ -2608,7 +2608,7 @@ TEST(TestIPhreeqc, TestSetLogFileName)
 	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), lines[line++]);
 	ASSERT_EQ(std::string("Number of basis changes: 0"), lines[line++]);
 	ASSERT_EQ(std::string(""), lines[line++]);
-	ASSERT_EQ(std::string("Number of iterations: 6"), lines[line++]);
+	ASSERT_EQ(std::string("Number of iterations: 8"), lines[line++]);
 	ASSERT_EQ(std::string(""), lines[line++]);
 	ASSERT_EQ(std::string("------------------"), lines[line++]);
 	ASSERT_EQ(std::string("End of simulation."), lines[line++]);
@@ -2844,7 +2844,7 @@ TEST(TestIPhreeqc, TestGetLogStringLine)
 	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), std::string(obj.GetLogStringLine(line++)));
 	ASSERT_EQ(std::string("Number of basis changes: 0"), std::string(obj.GetLogStringLine(line++)));
 	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
-	ASSERT_EQ(std::string("Number of iterations: 6"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Number of iterations: 8"), std::string(obj.GetLogStringLine(line++)));
 	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
 	ASSERT_EQ(std::string("------------------"), std::string(obj.GetLogStringLine(line++)));
 	ASSERT_EQ(std::string("End of simulation."), std::string(obj.GetLogStringLine(line++)));
@@ -4098,7 +4098,7 @@ TEST(TestIPhreeqc, TestMultiPunchCSelectedOutput)
 	CVar var;
 	IPhreeqc obj;
 
-	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat.90a6449"));
 	ASSERT_EQ(0, obj.RunFile("multi_punch"));
 
 	ASSERT_EQ(6, obj.GetSelectedOutputRowCount());
diff --git a/gtest/TestIPhreeqcLib.cpp b/gtest/TestIPhreeqcLib.cpp
index 60046a8a..c0129e48 100644
--- a/gtest/TestIPhreeqcLib.cpp
+++ b/gtest/TestIPhreeqcLib.cpp
@@ -2853,7 +2853,7 @@ TEST(TestIPhreeqcLib, TestSetLogFileName)
 	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), lines[line++]);
 	ASSERT_EQ(std::string("Number of basis changes: 0"), lines[line++]);
 	ASSERT_EQ(std::string(""), lines[line++]);
-	ASSERT_EQ(std::string("Number of iterations: 6"), lines[line++]);
+	ASSERT_EQ(std::string("Number of iterations: 8"), lines[line++]);
 	ASSERT_EQ(std::string(""), lines[line++]);
 	ASSERT_EQ(std::string("------------------"), lines[line++]);
 	ASSERT_EQ(std::string("End of simulation."), lines[line++]);
@@ -3115,7 +3115,7 @@ TEST(TestIPhreeqcLib, TestGetLogStringLine)
 	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), std::string(::GetLogStringLine(n, line++)));
 	ASSERT_EQ(std::string("Number of basis changes: 0"), std::string(::GetLogStringLine(n, line++)));
 	ASSERT_EQ(std::string(""), std::string(::GetLogStringLine(n, line++)));
-	ASSERT_EQ(std::string("Number of iterations: 6"), std::string(::GetLogStringLine(n, line++)));
+	ASSERT_EQ(std::string("Number of iterations: 8"), std::string(::GetLogStringLine(n, line++)));
 	ASSERT_EQ(std::string(""), std::string(::GetLogStringLine(n, line++)));
 	ASSERT_EQ(std::string("------------------"), std::string(::GetLogStringLine(n, line++)));
 	ASSERT_EQ(std::string("End of simulation."), std::string(::GetLogStringLine(n, line++)));
@@ -4064,7 +4064,7 @@ TEST(TestIPhreeqcLib, TestMultiPunchCSelectedOutput)
 	int id = ::CreateIPhreeqc();
 	ASSERT_TRUE(id >= 0);
 
-	ASSERT_EQ(0, ::LoadDatabase(id, "phreeqc.dat"));
+	ASSERT_EQ(0, ::LoadDatabase(id, "phreeqc.dat.90a6449"));
 	ASSERT_EQ(0, ::RunFile(id, "multi_punch"));
 
 	ASSERT_EQ(6, ::GetSelectedOutputRowCount(id));
diff --git a/gtest/phreeqc.dat.90a6449 b/gtest/phreeqc.dat.90a6449
new file mode 100644
index 00000000..65c1656f
--- /dev/null
+++ b/gtest/phreeqc.dat.90a6449
@@ -0,0 +1,1935 @@
+# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
+#   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
+# Details are given at the end of this file.
+
+SOLUTION_MASTER_SPECIES
+#
+#element	species	alk	gfw_formula	element_gfw
+#
+H		H+	-1.0	H		1.008
+H(0)		H2	0	H
+H(1)		H+	-1.0	0
+E		e-	0	0.0		0
+O		H2O	0	O		16.0
+O(0)		O2	0	O
+O(-2)		H2O	0	0
+Ca		Ca+2	0	Ca		40.08
+Mg		Mg+2	0	Mg		24.312
+Na		Na+	0	Na		22.9898
+K		K+	0	K		39.102
+Fe		Fe+2	0	Fe		55.847
+Fe(+2)		Fe+2	0	Fe
+Fe(+3)		Fe+3	-2.0	Fe
+Mn		Mn+2	0	Mn		54.938
+Mn(+2)		Mn+2	0	Mn
+Mn(+3)		Mn+3	0	Mn
+Al		Al+3	0	Al		26.9815
+Ba		Ba+2	0	Ba		137.34
+Sr		Sr+2	0	Sr		87.62
+Si		H4SiO4	0	SiO2		28.0843
+Cl		Cl-	0	Cl		35.453
+C		CO3-2	2.0	HCO3		12.0111
+C(+4)		CO3-2	2.0	HCO3
+C(-4)		CH4	0	CH4
+Alkalinity	CO3-2	1.0	Ca0.5(CO3)0.5	50.05
+S		SO4-2	0	SO4		32.064
+S(6)		SO4-2	0	SO4
+S(-2)		HS-	1.0	S
+N		NO3-	0	N		14.0067
+N(+5)		NO3-	0	N
+N(+3)		NO2-	0	N
+N(0)		N2	0	N
+N(-3)		NH4+	0	N		14.0067
+#Amm		AmmH+	0	AmmH		17.031
+B		H3BO3	0	B		10.81
+P		PO4-3	2.0	P		30.9738
+F		F-	0	F		18.9984
+Li		Li+	0	Li		6.939
+Br		Br-	0	Br		79.904
+Zn		Zn+2	0	Zn		65.37
+Cd		Cd+2	0	Cd		112.4
+Pb		Pb+2	0	Pb		207.19
+Cu		Cu+2	0	Cu		63.546
+Cu(+2)		Cu+2	0	Cu
+Cu(+1)		Cu+1	0	Cu
+# redox-uncoupled gases
+Hdg		Hdg	0	Hdg		2.016 # H2 gas
+Oxg		Oxg	0	Oxg		32 # O2 gas
+Mtg		Mtg	0	Mtg		16.032 # CH4 gas
+Sg		H2Sg	 0.0	H2Sg		32.064 # H2S gas
+Ntg		Ntg	0	Ntg		28.0134 # N2 gas
+
+SOLUTION_SPECIES
+H+ = H+
+	-gamma	9.0	0
+	-dw	9.31e-9  1000  0.46  1e-10 # The dw parameters are defined in ref. 3.
+# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
+# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
+	-viscosity  9.35e-2  -8.31e-2  2.487e-2  4.49e-4  2.01e-2  1.570 # for viscosity parameters see ref. 4
+e- = e-
+H2O = H2O
+# H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence
+Ca+2 = Ca+2
+	-gamma	5.0	0.1650
+	-dw	0.793e-9  97  3.4  24.6
+	-Vm  -0.3456  -7.252  6.149  -2.479  1.239  5  1.60  -57.1  -6.12e-3  1 # The apparent volume parameters are defined in ref. 1 & 2
+	-viscosity  0.359  -0.158  4.2e-2  1.5e-3  8.04e-3  2.30 # ref. 4, CaCl2 < 6 M
+Mg+2 = Mg+2
+	-gamma	5.5	0.20
+	-dw	0.705e-9  111  2.4  13.7
+	-Vm  -1.410  -8.6  11.13  -2.39  1.332  5.5  1.29  -32.9  -5.86e-3  1
+	-viscosity  0.426  0  0  1.66e-3  4.32e-3  2.461
+Na+ = Na+
+	-gamma	4.0	 0.075
+	-gamma	4.08 0.082 # halite solubility
+	-dw	1.33e-9  122  1.52  3.70
+	-Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.566
+# for calculating densities (rho) when I > 3...
+	# -Vm   2.28  -4.38  -4.1  -0.586  0.09  4  0.3  52  -3.33e-3  0.45
+	-viscosity  0.1387  -8.66e-2  1.25e-2  1.45e-2  7.5e-3  1.062
+K+ = K+
+	-gamma	3.5	0.015
+	-dw	1.96e-9  395  2.5  21
+	-Vm  3.322  -1.473  6.534  -2.712  9.06e-2  3.5  0  29.7  0  1
+	-viscosity  0.116  -0.191  1.52e-2  1.40e-2  2.59e-2  0.9028
+Fe+2 = Fe+2
+	-gamma	6.0	0
+	-dw	 0.719e-9
+	-Vm  -0.3255  -9.687  1.536  -2.379  0.3033  6  -4.21e-2  39.7  0  1
+Mn+2 = Mn+2
+	-gamma	6.0	0
+	-dw	 0.688e-9
+	-Vm  -1.10  -8.03  4.08  -2.45  1.4  6  8.07  0  -1.51e-2  0.118
+Al+3 = Al+3
+	-gamma	9.0	0
+	-dw	 0.559e-9
+	-Vm   -2.28  -17.1  10.9  -2.07  2.87  9  0  0  5.5e-3  1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
+Ba+2 = Ba+2
+	-gamma  5.0  0
+	-gamma	4.0  0.153 # Barite solubility
+	-dw 0.848e-9  100
+	-Vm  2.063  -10.06  1.9534  -2.36  0.4218  5  1.58  -12.03  -8.35e-3  1
+	-viscosity  0.338  -0.227  1.39e-2  3.07e-2  0  0.768
+Sr+2 = Sr+2
+	-gamma	5.260	0.121
+	-dw	 0.794e-9  161
+	-Vm  -1.57e-2  -10.15  10.18  -2.36  0.860  5.26  0.859  -27.0  -4.1e-3  1.97
+	-viscosity  0.472  -0.252  5.51e-3  3.67e-3  0  1.876
+H4SiO4 = H4SiO4
+	-dw	 1.10e-9
+	-Vm  10.5  1.7  20  -2.7  0.1291 # supcrt + 2*H2O in a1
+Cl- = Cl-
+	-gamma	3.5	  0.015
+	-gamma	3.63  0.017 # cf. pitzer.dat
+	-dw	2.03e-9  194  1.6  6.9
+	-Vm  4.465  4.801  4.325  -2.847  1.748  0  -0.331  20.16  0  1
+	-viscosity   0  0  0  0  0  0  1 # the reference solute
+CO3-2 = CO3-2
+	-gamma	5.4	0
+        -dw	0.955e-9  28.9  14.3  98.1
+	-Vm  8.69  -10.2  -20.31  -0.131  4.65  0  3.75  0  -4.04e-2  0.678
+	-viscosity  0  0.301  4.12e-2  1.44e-3  1.41e-2  1.364  -2.00
+SO4-2 = SO4-2
+	-gamma	5.0	-0.04
+	-dw	1.07e-9  187  2.64  22.6
+        -Vm  9.379  3.26  0  -7.13  4.30  0  0  0  -3.73e-2  0 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC
+	-viscosity  -1.83  1.907  4.8e-4  1.7e-3  -1.60e-2  4.40  -0.143
+NO3- = NO3-
+	-gamma	3.0	0
+	-dw	1.9e-9  184  1.85  3.85
+	-Vm  6.32  6.78  0  -3.06  0.346  0  0.93  0  -0.012  1
+	-viscosity  8.37e-2  -0.458  1.54e-2  0.340  1.79e-2  5.02e-2  0.7381
+#AmmH+ = AmmH+
+#	-gamma	2.5	0
+#	-dw	1.98e-9  312  0.95  4.53
+#	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
+#	-viscosity  9.9e-2  -0.159  1.36e-2  6.51e-3  3.21e-2  0.972
+H3BO3 = H3BO3
+	-dw	1.1e-9
+	-Vm 7.0643  8.8547  3.5844  -3.1451 -.2000  # supcrt
+PO4-3 = PO4-3
+	-gamma	4.0	0
+	-dw	 0.612e-9
+	-Vm   1.24  -9.07  9.31  -2.4  5.61  0  0  0  -1.41e-2  1
+F- = F-
+	-gamma	3.5	0
+	-dw	 1.46e-9  10
+	-Vm   0.928  1.36  6.27  -2.84  1.84  0  0  -0.318  0  1
+Li+ = Li+
+	-gamma	6.0	0
+	-dw	 1.03e-9  80
+	-Vm  -0.419  -0.069  13.16  -2.78  0.416  0  0.296  -12.4  -2.74e-3  1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
+	-viscosity  0.162  -2.45e-2  3.73e-2  9.7e-4  8.1e-4  2.087
+Br- = Br-
+	-gamma	3.0	0
+	-dw	 2.01e-9  258
+	-Vm   6.72  2.85  4.21  -3.14  1.38  0  -9.56e-2  7.08  -1.56e-3  1
+	-viscosity  -1.15e-2  -5.75e-2  5.72e-2  1.46e-2  0.116  0.9295  0.820
+Zn+2 = Zn+2
+	-gamma	5.0	0
+	-dw	 0.715e-9
+	-Vm  -1.96  -10.4  14.3  -2.35  1.46  5  -1.43  24  1.67e-2  1.11
+Cd+2 = Cd+2
+	-dw	 0.717e-9
+	-Vm   1.63  -10.7  1.01  -2.34  1.47  5  0  0  0  1
+Pb+2 = Pb+2
+	-dw	 0.945e-9
+	-Vm  -.0051  -7.7939  8.8134  -2.4568  1.0788 4.5 # supcrt
+Cu+2 = Cu+2
+	-gamma	6.0	0
+	-dw	 0.733e-9
+	-Vm   -1.13  -10.5  7.29  -2.35  1.61  6  9.78e-2  0  3.42e-3  1
+# redox-uncoupled gases
+Hdg = Hdg # H2
+	-dw	 5.13e-9
+	-Vm 6.52  0.78  0.12 # supcrt
+Oxg = Oxg # O2
+	-dw	 2.35e-9
+	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+Mtg = Mtg # CH4
+	-dw   1.85e-9
+	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+Ntg = Ntg # N2
+	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519
+	-Vm 7 # Pray et al., 1952, IEC 44. 1146
+H2Sg = H2Sg # H2S
+	-dw	 2.1e-9
+        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+# aqueous species
+H2O = OH- + H+
+	-analytic  293.29227  0.1360833  -10576.913  -123.73158  0  -6.996455e-5
+	-gamma	3.5	0
+	-dw	 5.27e-9  548  0.52  1e-10
+	-Vm  -9.66  28.5  80.0 -22.9 1.89 0 1.09 0 0 1
+	-viscosity  -1.02e-1  0.189  9.4e-3  -4e-5  0  3.281  -2.053 # < 5 M Li,Na,KOH
+2 H2O = O2 + 4 H+ + 4 e-
+	-log_k	-86.08
+	-delta_h 134.79 kcal
+	-dw	 2.35e-9
+	-Vm  5.7889  6.3536  3.2528  -3.0417  -0.3943 # supcrt
+2 H+ + 2 e- = H2
+	-log_k	-3.15
+	-delta_h -1.759 kcal
+	-dw	 5.13e-9
+	-Vm 6.52  0.78  0.12 # supcrt
+H+ + Cl- = HCl
+	-log_k  -0.5
+	-analytical_expression  0.334  -2.684e-3  1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C
+	-gamma  0  0.4256
+	-viscosity  0.921  -0.765  8.32e-3  8.25e-4  2.53e-3 4.223
+CO3-2 + H+ = HCO3-
+	-log_k	10.329
+	-delta_h -3.561	kcal
+	-analytic  107.8871  0.03252849  -5151.79  -38.92561  563713.9
+	-gamma	5.4      0
+	-dw	1.18e-9  -182  0.351  -4.94
+	-Vm  9.03  -7.03e-2  -13.38  0  2.05  0  0  128  0  0.8242
+	-viscosity  0  0.117  -2.91e-2  0  0  0  0.896
+CO3-2 + 2 H+ = CO2 + H2O
+	-log_k	16.681
+	-delta_h -5.738	kcal
+	-analytic	464.1965	0.09344813	-26986.16	-165.75951	2248628.9
+	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+	-Vm   7.29  0.92  2.07  -1.23  -1.60 # McBride et al. 2015, JCED 60, 171
+	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
+2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
+	-log_k -1.8
+	-analytical_expression  8.68  -0.0103  -2190
+	-dw	 1.92e-9  -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
+	-Vm   14.58  1.84  4.14  -2.46  -3.20
+CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
+	-log_k	41.071
+	-delta_h -61.039 kcal
+	-dw   1.85e-9
+	-Vm   9.01  -1.11  0  -1.85  -1.50 # Hnedkovsky et al., 1996, JCT 28, 125
+SO4-2 + H+ = HSO4-
+	-log_k	1.988
+	-delta_h 3.85	kcal
+	-analytic	-56.889	0.006473	2307.9	19.8858
+	-dw	 1.33e-9
+	-Vm 8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1
+HS- = S-2 + H+
+	-log_k	-12.918
+	-delta_h 12.1	kcal
+	-gamma	5.0	0
+	-dw	 0.731e-9
+SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
+	-log_k	33.65
+	-delta_h -60.140 kcal
+	-gamma	3.5	0
+	-dw	 1.73e-9
+	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
+HS- + H+ = H2S
+	-log_k	6.994
+	-delta_h -5.30	kcal
+	-analytical  -11.17  0.02386  3279.0
+	-dw	 2.1e-9
+        -Vm  1.39  28.3  0  -7.22  -0.59 # Hnedkovsky et al., 1996, JCT 28, 125
+2H2S = (H2S)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression   10.227  -0.01384  -2200
+	-dw	 2.1e-9
+	-Vm   36.41  -71.95  0  0  2.58
+H2Sg = HSg- + H+
+	-log_k	-6.994
+	-delta_h 5.30	kcal
+	-analytical_expression  11.17  -0.02386  -3279.0
+	-gamma 3.5	0
+	-dw	 1.73e-9
+	-Vm  5.0119  4.9799  3.4765  -2.9849  1.4410 # supcrt
+2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T
+	-analytical_expression   10.227  -0.01384  -2200
+	-dw	 2.1e-9
+	-Vm   36.41  -71.95  0  0  2.58
+NO3- + 2 H+ + 2 e- = NO2- + H2O
+	-log_k	28.570
+	-delta_h -43.760 kcal
+	-gamma	3.0	0
+	-dw	 1.91e-9
+	-Vm  5.5864  5.8590  3.4472  -3.0212  1.1847 # supcrt
+2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
+	-log_k	207.08
+	-delta_h -312.130	kcal
+	-dw	 1.96e-9  -90 # Cadogan et al. 2014, JCED 59, 519	
+	-Vm 7 # Pray et al., 1952, IEC 44. 1146
+#AmmH+ = Amm + H+
+NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
+	-log_k	119.077
+	-delta_h -187.055	kcal	
+	-gamma	2.5	0
+	-dw	1.98e-9  312  0.95  4.53
+	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
+	-viscosity  9.9e-2  -0.159  1.36e-2  6.51e-3  3.21e-2  0.972
+
+NH4+ = NH3 + H+
+	-log_k	-9.252
+	-delta_h 12.48	kcal
+	-analytic  0.6322  -0.001225  -2835.76
+	-dw	 2.28e-9
+	-Vm   6.69  2.8  3.58  -2.88  1.43
+	-viscosity  0.08  0  0  7.82e-3  -0.134  -0.986
+#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O
+#	-log_k	119.077
+#	-delta_h -187.055	kcal
+#	-gamma	2.5	0
+#	-Vm  4.837  2.345  5.522  -2.88 1.096  3  -1.456  75.0  7.17e-3  1
+#AmmH+ + SO4-2 = AmmHSO4-
+NH4+ + SO4-2 = NH4SO4-
+        -log_k  1.11;  -delta_h  13.2 kcal
+        -gamma  5  -0.163
+        -Vm  13.56  0  -31.15  0  0  0  11.20  0  -0.1287  1
+        -dw  1.1e-9  400  1.85  200
+        -viscosity  0.262  0  0  9.49e-2  3.81e-2  0.438  0.507
+H3BO3 = H2BO3- + H+
+	-log_k	-9.24
+	-delta_h 3.224	kcal
+H3BO3 + F- = BF(OH)3-
+	-log_k	-0.4
+	-delta_h 1.850	kcal
+H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
+	-log_k	7.63
+	-delta_h 1.618	kcal
+H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O
+	-log_k	13.67
+	-delta_h -1.614	kcal
+H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O
+	-log_k	20.28
+	-delta_h -1.846	kcal
+PO4-3 + H+ = HPO4-2
+	-log_k	12.346
+	-delta_h -3.530	kcal
+	-gamma	5.0	0
+	-dw	0.69e-9
+	-Vm   3.52  1.09  8.39  -2.82  3.34  0  0  0  0  1
+PO4-3 + 2 H+ = H2PO4-
+	-log_k	19.553
+	-delta_h -4.520	kcal
+	-gamma	5.4	0
+	-dw	 0.846e-9
+	-Vm   5.58  8.06  12.2  -3.11  1.3  0  0  0  1.62e-2  1
+PO4-3 + 3H+ = H3PO4
+	log_k	21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3
+	delta_h	-10.1	kJ
+	-Vm   7.47  12.4  6.29  -3.29  0
+H+ + F- = HF
+	-log_k	3.18
+	-delta_h 3.18	kcal
+	-analytic	-2.033	0.012645	429.01
+	-Vm  3.4753  .7042  5.4732  -2.8081  -.0007 # supcrt
+H+ + 2 F- = HF2-
+	-log_k	3.76
+	-delta_h 4.550	kcal
+	-Vm  5.2263  4.9797  3.7928  -2.9849  1.2934 # supcrt
+Ca+2 + H2O = CaOH+ + H+
+	-log_k	-12.78
+Ca+2 + CO3-2 = CaCO3
+	-log_k	3.224
+	-delta_h 3.545	kcal
+	-analytic	-1228.732	-0.299440	35512.75	485.818
+	-dw 4.46e-10	# complexes: calc'd with the Pikal formula
+	-Vm  -.2430  -8.3748  9.0417  -2.4328  -.0300 # supcrt
+Ca+2 + CO3-2 + H+ = CaHCO3+
+	-log_k	11.435
+	-delta_h -0.871	kcal
+	-analytic	1317.0071	0.34546894	-39916.84	-517.70761	563713.9
+	-gamma	6.0	0
+	-dw 5.06e-10
+	-Vm  3.1911  .0104  5.7459  -2.7794  .3084 5.4 # supcrt
+Ca+2 + SO4-2 = CaSO4
+	-log_k	2.25
+	-delta_h 1.325	kcal
+	-dw 4.71e-10
+	-Vm  2.7910  -.9666  6.1300  -2.7390  -.0010 # supcrt
+Ca+2 + HSO4- = CaHSO4+
+	-log_k	  1.08
+Ca+2 + PO4-3 = CaPO4-
+	-log_k	6.459
+	-delta_h 3.10	kcal
+	-gamma  5.4  0.0 
+Ca+2 + HPO4-2 = CaHPO4
+	-log_k	2.739
+	-delta_h 3.3 kcal
+Ca+2 + H2PO4- = CaH2PO4+
+	-log_k	1.408
+	-delta_h 3.4 kcal
+	-gamma  5.4  0.0 
+# Ca+2 + F- = CaF+
+	# -log_k	0.94
+	# -delta_h 4.120	kcal
+	# -gamma  5.5  0.0 
+	# -Vm  .9846  -5.3773  7.8635  -2.5567  .6911 5.5 # supcrt
+Mg+2 + H2O = MgOH+ + H+
+	-log_k	-11.44
+	-delta_h 15.952 kcal
+	-gamma	6.5	0
+Mg+2 + CO3-2 = MgCO3
+	-log_k	2.98
+	-delta_h 2.713	kcal
+	-analytic	0.9910	0.00667
+	-dw 4.21e-10
+	-Vm  -.5837  -9.2067  9.3687  -2.3984  -.0300 # supcrt
+Mg+2 + H+ + CO3-2 = MgHCO3+
+	-log_k	11.399
+	-delta_h -2.771 kcal
+	-analytic	48.6721	0.03252849	-2614.335	-18.00263	563713.9
+	-gamma	4.0	0
+	-dw 4.78e-10
+	-Vm  2.7171  -1.1469  6.2008  -2.7316  .5985 4 # supcrt
+Mg+2 + SO4-2 = MgSO4
+        -log_k  2.42; -delta_h  19.0 kJ
+        -analytical_expression  0  9.64e-3  -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+        -gamma  0  0.20
+        -Vm  13.18  -25.67  -21.23  0  0.800  0  0  0  0  0
+        -dw 4.45e-10
+        -viscosity  -0.590  0.768  -3.8e-4  0.283  1.1e-3  1.09  0
+SO4-2 + MgSO4 = Mg(SO4)2-2
+        -log_k  0.52; -delta_h  -13.6 kJ
+        -analytical_expression  0  -1.51e-3  0  0  8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC
+        -gamma  7  0.047
+        -Vm  12.725  -28.73  0.219  0  -0.264  0  23.44  0  0.213  5.1e-2
+        -Dw   1e-9  -2926  6.10e-2  -5.41
+        -viscosity  -0.162  9.6e-4  -4.65e-2  0.179  1.56e-2  1.66  0
+Mg+2 + PO4-3 = MgPO4-
+	-log_k	6.589
+	-delta_h 3.10	kcal
+	-gamma	5.4	0
+Mg+2 + HPO4-2 = MgHPO4
+	-log_k	2.87
+	-delta_h 3.3 kcal
+Mg+2 + H2PO4- = MgH2PO4+
+	-log_k	1.513
+	-delta_h 3.4 kcal
+	-gamma	5.4	0
+Mg+2 + F- = MgF+
+	-log_k	1.82
+	-delta_h 3.20	kcal
+	-gamma	4.5	0
+	-Vm  .6494  -6.1958  8.1852  -2.5229  .9706 4.5 # supcrt
+Na+ + OH- = NaOH
+	-log_k	-10 # remove this complex
+# Na+ + CO3-2 = NaCO3- # the CO3-2 cmplx is not necessary for the SC
+	# -log_k	1.27
+	# -delta_h 8.91 kcal
+	# -dw  1.2e-9  -400  1e-10  1e-10
+	# -Vm  3.812  0.196  20.0  -9.60  3.02  1e-5  2.65  0  2.54e-2  1
+	# -viscosity  0.104  -1.65  0.169  8.66e-2  2.60e-2  1.76  -0.90
+Na+ + HCO3- = NaHCO3
+	-log_k  -0.18; -delta_h  27 kJ
+        -analytical_expression  0.1  -6.111e-3  -1600  2.794 # optimized with data in Appelo, 2015, Appl. Geochem. 55, 62–71.
+        -gamma  0  0.23
+	-dw  6.73e-10  -400  1e-10  1e-10
+	-Vm  9  -6
+	-viscosity  0  0  0  0.1  3e-2
+Na+ + SO4-2 = NaSO4-
+        -log_k   0.6; -delta_h -14.4 kJ
+        -analytical_expression  -7.99  1.637e-2  0  0  3.29e5 # mirabilite/thenardite solubilities, 0 - 200 oC
+        -gamma 0 0
+        -Vm   9.993  -8.75  0  -2.95  2.59  0  8.40  0  -1.82e-2  0.672
+        -dw   1.183e-9  438  1e-10  1e-10
+        -viscosity  7.94e-2  6.96e-2  1.51e-2  7.62e-2  2.84e-2  1.74  0.120
+Na+ + HPO4-2 = NaHPO4-
+	-log_k	0.29
+	-gamma	5.4	0
+	-Vm    5.2  8.1  13  -3  0.9  0  0  1.62e-2  1
+Na+ + F- = NaF
+	-log_k	-0.24
+	-Vm  2.7483  -1.0708  6.1709  -2.7347  -.030 # supcrt
+K+ + SO4-2 = KSO4-
+        -log_k   0.6; -delta_h -10.4 kJ
+        -analytical_expression  -4.022  8.217e-3  0  0  1.90e5 # arcanite solubility, 0 - 200 oC
+        -gamma  0  8.3e-3
+        -Vm  8.942  -5.05  -15.03  0  3.61  0  25.14  0  -5.06e-2  0.166
+        -dw  5.11e-10  1694  -0.587  -4.43
+        -viscosity  -2.71  3.09  6e-4  -0.629  9.38e-2  0.778  0.975
+K+ + HPO4-2 = KHPO4-
+	-log_k	0.29
+	-gamma	5.4	0
+	-Vm   5.4  8.1  19  -3.1  0.7  0  0  0  1.62e-2  1
+Fe+2 + H2O = FeOH+ + H+
+	-log_k	-9.5
+	-delta_h 13.20	kcal
+	-gamma	5.0	0
+Fe+2 + 3H2O = Fe(OH)3- + 3H+ 
+	-log_k -31.0
+	-delta_h 30.3 kcal
+	-gamma  5.0 0
+Fe+2 + Cl- = FeCl+
+	-log_k	0.14
+Fe+2 + CO3-2 = FeCO3
+	-log_k	4.38
+Fe+2 + HCO3- = FeHCO3+
+	-log_k	2.0
+Fe+2 + SO4-2 = FeSO4
+	-log_k	2.25
+	-delta_h 3.230	kcal
+	-Vm   -13  0  123
+Fe+2 + HSO4- = FeHSO4+
+	-log_k	1.08
+Fe+2 + 2HS- = Fe(HS)2
+	-log_k	8.95
+Fe+2 + 3HS- = Fe(HS)3-
+	-log_k	10.987
+Fe+2 + HPO4-2 = FeHPO4
+	-log_k	3.6
+Fe+2 + H2PO4- = FeH2PO4+
+	-log_k	2.7
+	-gamma	5.4	0
+Fe+2 + F- = FeF+
+	-log_k	1.0
+Fe+2 = Fe+3 + e-
+	-log_k	-13.02
+	-delta_h 9.680	kcal
+	-gamma	9.0	0
+Fe+3 + H2O = FeOH+2 + H+
+	-log_k	-2.19
+	-delta_h 10.4	kcal
+	-gamma	5.0	0
+Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
+	-log_k	-5.67
+	-delta_h 17.1	kcal
+	-gamma	5.4	0
+Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
+	-log_k	-12.56
+	-delta_h 24.8	kcal
+Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
+	-log_k	-21.6
+	-delta_h 31.9	kcal
+	-gamma	5.4	0
+Fe+2 + 2H2O = Fe(OH)2 + 2H+ 
+	-log_k  -20.57
+	-delta_h 28.565 kcal  
+2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
+	-log_k	-2.95
+	-delta_h 13.5	kcal
+3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
+	-log_k	-6.3
+	-delta_h 14.3	kcal
+Fe+3 + Cl- = FeCl+2
+	-log_k	1.48
+	-delta_h 5.6	kcal
+	-gamma	5.0	0
+Fe+3 + 2 Cl- = FeCl2+
+	-log_k	2.13
+	-gamma	5.0	0
+Fe+3 + 3 Cl- = FeCl3
+	-log_k	1.13
+Fe+3 + SO4-2 = FeSO4+
+	-log_k	4.04
+	-delta_h 3.91	kcal
+	-gamma	5.0	0
+Fe+3 + HSO4- = FeHSO4+2
+	-log_k	2.48
+Fe+3 + 2 SO4-2 = Fe(SO4)2-
+	-log_k	5.38
+	-delta_h 4.60	kcal
+Fe+3 + HPO4-2 = FeHPO4+
+	-log_k	5.43
+	-delta_h 5.76	kcal
+	-gamma	5.0	0
+Fe+3 + H2PO4- = FeH2PO4+2
+	-log_k	5.43
+	-gamma	5.4	0
+Fe+3 + F- = FeF+2
+	-log_k	6.2
+	-delta_h 2.7	kcal
+	-gamma	5.0	0
+Fe+3 + 2 F- = FeF2+
+	-log_k	10.8
+	-delta_h 4.8	kcal
+	-gamma	5.0	0
+Fe+3 + 3 F- = FeF3
+	-log_k	14.0
+	-delta_h 5.4	kcal
+Mn+2 + H2O = MnOH+ + H+
+	-log_k	-10.59
+	-delta_h 14.40	kcal
+	-gamma	5.0	0
+Mn+2 + 3H2O = Mn(OH)3- + 3H+ 
+	-log_k  -34.8
+	-gamma	5.0	0
+Mn+2 + Cl- = MnCl+
+	-log_k	0.61
+	-gamma	5.0	0
+	-Vm   7.25  -1.08  -25.8  -2.73  3.99  5  0  0  0  1
+Mn+2 + 2 Cl- = MnCl2
+	-log_k	0.25
+	-Vm   1e-5  0  144
+Mn+2 + 3 Cl- = MnCl3-
+	-log_k	-0.31
+	-gamma	5.0	0
+	-Vm   11.8  0  0  0  2.4  0  0  0  3.6e-2  1
+Mn+2 + CO3-2 = MnCO3
+	-log_k	4.9
+Mn+2 + HCO3- = MnHCO3+
+	-log_k	1.95
+	-gamma	5.0	0
+Mn+2 + SO4-2 = MnSO4
+	-log_k	2.25
+	-delta_h 3.370	kcal
+	-Vm  -1.31  -1.83  62.3  -2.7
+Mn+2 + 2 NO3- = Mn(NO3)2
+	-log_k	0.6
+	-delta_h -0.396	kcal
+	-Vm  6.16  0  29.4  0  0.9
+Mn+2 + F- = MnF+
+	-log_k	0.84
+	-gamma	5.0	0
+Mn+2 = Mn+3 + e-
+	-log_k	-25.51
+	-delta_h 25.80	kcal
+	-gamma	9.0	0
+Al+3 + H2O = AlOH+2 + H+
+	-log_k	-5.0
+	-delta_h 11.49	kcal
+	-analytic	-38.253	0.0	-656.27	14.327
+	-gamma	5.4	0
+	-Vm   -1.46  -11.4  10.2  -2.31  1.67  5.4  0  0  0  1  # Barta and Hepler, 1986, Can. J. Chem. 64, 353.
+Al+3 + 2 H2O = Al(OH)2+ + 2 H+
+	-log_k	-10.1
+	-delta_h 26.90	kcal
+	-gamma	5.4	0
+	-analytic	88.50	0.0	-9391.6	-27.121
+Al+3 + 3 H2O = Al(OH)3 + 3 H+
+	-log_k	-16.9
+	-delta_h 39.89	kcal
+	-analytic	226.374	0.0	-18247.8	-73.597
+Al+3 + 4 H2O = Al(OH)4- + 4 H+
+	-log_k	-22.7
+	-delta_h 42.30	kcal
+	-analytic	51.578	0.0	-11168.9	-14.865
+	-gamma	4.5	0
+	-dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959
+Al+3 + SO4-2 = AlSO4+
+	-log_k	3.5
+	-delta_h 2.29 kcal
+	-gamma	4.5	0
+Al+3 + 2SO4-2 = Al(SO4)2-
+	-log_k	5.0
+	-delta_h 3.11 kcal
+	-gamma	4.5	0
+Al+3 + HSO4- = AlHSO4+2
+	-log_k	0.46
+Al+3 + F- = AlF+2
+	-log_k	7.0
+	-delta_h 1.060	kcal
+	-gamma	5.4	0
+Al+3 + 2 F- = AlF2+
+	-log_k	12.7
+	-delta_h 1.980	kcal
+	-gamma	5.4	0
+Al+3 + 3 F- = AlF3
+	-log_k	16.8
+	-delta_h 2.160	kcal
+Al+3 + 4 F- = AlF4-
+	-log_k	19.4
+	-delta_h 2.20	kcal
+	-gamma	4.5	0
+# Al+3 + 5 F- = AlF5-2
+	# log_k	20.6
+	# delta_h 1.840	kcal
+# Al+3 + 6 F- = AlF6-3
+	# log_k	20.6
+	# delta_h -1.670	kcal
+H4SiO4 = H3SiO4- + H+
+	-log_k	-9.83
+	-delta_h 6.12	kcal
+	-analytic	-302.3724	-0.050698	15669.69	108.18466	-1119669.0
+	-gamma	4	0
+	-Vm  7.94  1.0881  5.3224  -2.8240  1.4767 # supcrt + H2O in a1
+H4SiO4 = H2SiO4-2 + 2 H+
+	-log_k	-23.0
+	-delta_h 17.6	kcal
+	-analytic	-294.0184	-0.072650	11204.49	108.18466	-1119669.0
+	-gamma	5.4	0
+H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O
+	-log_k	30.18
+	-delta_h -16.260	kcal
+	-gamma	5.0	0
+	-Vm  8.5311  13.0492  .6211  -3.3185  2.7716 # supcrt
+Ba+2 + H2O = BaOH+ + H+
+	-log_k	-13.47
+	-gamma	5.0	0
+Ba+2 + CO3-2 = BaCO3
+	-log_k	2.71
+	-delta_h 3.55	kcal
+	-analytic	0.113	0.008721
+	-Vm  .2907  -7.0717  8.5295  -2.4867  -.0300 # supcrt
+Ba+2 + HCO3- = BaHCO3+
+	-log_k	0.982
+	-delta_h 5.56 kcal
+	-analytic	-3.0938	0.013669
+Ba+2 + SO4-2 = BaSO4
+	-log_k	2.7
+Sr+2 + H2O = SrOH+ + H+
+	-log_k	-13.29
+	-gamma	5.0	0
+Sr+2 + CO3-2 + H+ = SrHCO3+
+	-log_k	11.509
+	-delta_h 2.489	kcal
+	-analytic	104.6391	0.04739549	-5151.79	-38.92561	563713.9
+	-gamma	5.4	0
+Sr+2 + CO3-2 = SrCO3
+	-log_k	2.81
+	-delta_h 5.22	kcal
+	-analytic	-1.019	0.012826
+	-Vm  -.1787  -8.2177  8.9799  -2.4393  -.0300 # supcrt
+Sr+2 + SO4-2 = SrSO4
+	-log_k	2.29
+	-delta_h 2.08	kcal
+	-Vm  6.7910  -.9666  6.1300  -2.7390  -.0010 # celestite solubility
+Li+ + SO4-2 = LiSO4-
+	-log_k	0.64
+	-gamma	5.0	0
+Cu+2 + e- = Cu+
+	-log_k	2.72
+	-delta_h 1.65	kcal
+	-gamma	2.5	0
+Cu+ + 2Cl- = CuCl2-
+	-log_k	  5.50
+	-delta_h -0.42 kcal
+	-gamma  4.0  0
+Cu+ + 3Cl- = CuCl3-2
+	-log_k	  5.70
+	-delta_h 0.26 kcal
+	-gamma  5.0  0.0  
+Cu+2 + CO3-2 = CuCO3 
+	-log_k	  6.73
+Cu+2 + 2CO3-2 = Cu(CO3)2-2 
+	-log_k	  9.83
+Cu+2 + HCO3- = CuHCO3+
+	-log_k	  2.7	
+Cu+2 + Cl- = CuCl+ 
+	-log_k	  0.43
+	-delta_h 8.65 kcal
+	-gamma  4.0  0
+	-Vm   -4.19  0  30.4  0  0  4  0  0  1.94e-2  1
+Cu+2 + 2Cl- = CuCl2 
+	-log_k	  0.16
+	-delta_h 10.56 kcal
+	-Vm   26.8  0  -136
+Cu+2 + 3Cl- = CuCl3-
+	-log_k	  -2.29
+	-delta_h 13.69 kcal
+	-gamma  4.0  0
+Cu+2 + 4Cl- = CuCl4-2
+	-log_k	  -4.59
+	-delta_h 17.78 kcal
+	-gamma  5.0  0
+Cu+2 + F- = CuF+ 
+	-log_k	  1.26
+	-delta_h 1.62 kcal
+Cu+2 + H2O = CuOH+ + H+
+	-log_k	-8.0
+	-gamma	4.0	0
+Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
+	-log_k	-13.68
+Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
+	-log_k	-26.9
+Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
+	-log_k	-39.6
+2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ 
+	-log_k  -10.359
+	-delta_h 17.539 kcal
+	-analytical  2.497  0.0  -3833.0
+Cu+2 + SO4-2 = CuSO4
+	-log_k	2.31
+	-delta_h 1.220	kcal
+	-Vm   5.21  0  -14.6
+Cu+2 + 3HS- = Cu(HS)3-
+	-log_k  25.9
+Zn+2 + H2O = ZnOH+ + H+
+	-log_k	-8.96
+	-delta_h 13.4 kcal
+Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
+	-log_k	-16.9
+Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
+	-log_k	-28.4
+Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
+	-log_k	-41.2
+Zn+2 + Cl- = ZnCl+
+	-log_k	0.43
+	-delta_h 7.79 kcal
+	-gamma  4.0  0
+	-Vm   14.8  -3.91  -105.7  -2.62  0.203  4  0  0  -5.05e-2  1
+Zn+2 + 2 Cl- = ZnCl2
+	-log_k	0.45
+	-delta_h 8.5 kcal
+	-Vm   -10.1  4.57  241  -2.97  -1e-3
+Zn+2 + 3Cl- = ZnCl3-
+	-log_k	0.5
+	-delta_h 9.56 kcal
+	-gamma  4.0  0
+	-Vm   0.772  15.5  -0.349  -3.42  1.25  0  -7.77  0  0  1 
+Zn+2 + 4Cl- = ZnCl4-2
+	-log_k	0.2
+	-delta_h 10.96 kcal
+	-gamma  5.0  0
+	-Vm   28.42  28  -5.26  -3.94  2.67  0  0  0  4.62e-2 1
+Zn+2 + H2O + Cl- = ZnOHCl + H+ 
+	-log_k  -7.48  
+Zn+2 + 2HS- = Zn(HS)2
+	-log_k  14.94
+Zn+2 + 3HS- = Zn(HS)3-
+	-log_k  16.1  
+Zn+2 + CO3-2 = ZnCO3
+	-log_k	5.3
+Zn+2 + 2CO3-2 = Zn(CO3)2-2
+	-log_k	9.63
+Zn+2 + HCO3- = ZnHCO3+
+	-log_k	2.1
+Zn+2 + SO4-2 = ZnSO4
+	-log_k	2.37
+	-delta_h 1.36 kcal
+	-Vm   2.51  0  18.8
+Zn+2 + 2SO4-2 = Zn(SO4)2-2
+	-log_k	3.28
+	-Vm    10.9  0  -98.7  0  0  0  24  0 -0.236  1
+Zn+2 + Br- = ZnBr+ 
+	-log_k  -0.58
+Zn+2 + 2Br- = ZnBr2
+	-log_k  -0.98	
+Zn+2 + F- = ZnF+ 
+	-log_k  1.15
+	-delta_h 2.22 kcal
+Cd+2 + H2O = CdOH+ + H+
+	-log_k	-10.08
+	-delta_h 13.1 kcal
+Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
+	-log_k	-20.35
+Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
+	-log_k	-33.3
+Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
+	-log_k	-47.35
+2Cd+2 + H2O = Cd2OH+3 + H+ 
+	-log_k  -9.39
+	-delta_h 10.9 kcal
+Cd+2 + H2O + Cl- = CdOHCl + H+ 
+	-log_k  -7.404
+	-delta_h 4.355 kcal
+Cd+2 + NO3- = CdNO3+
+	-log_k  0.4
+	-delta_h -5.2 kcal
+	-Vm   5.95  0  -1.11  0  2.67  7  0  0  1.53e-2  1
+Cd+2 + Cl- = CdCl+
+	-log_k	1.98
+	-delta_h 0.59 kcal
+	-Vm   5.69  0  -30.2  0  0  6  0  0  0.112  1
+Cd+2 + 2 Cl- = CdCl2
+	-log_k	2.6
+	-delta_h 1.24 kcal
+	-Vm   5.53
+Cd+2 + 3 Cl- = CdCl3-
+	-log_k	2.4
+	-delta_h 3.9 kcal
+	-Vm   4.6  0  83.9  0  0  0  0  0  0  1
+Cd+2 + CO3-2 = CdCO3
+	-log_k	2.9
+Cd+2 + 2CO3-2 = Cd(CO3)2-2
+	-log_k	6.4
+Cd+2 + HCO3- = CdHCO3+
+	-log_k	1.5
+Cd+2 + SO4-2 = CdSO4
+	-log_k	2.46
+	-delta_h 1.08 kcal
+	-Vm   10.4  0  57.9
+Cd+2 + 2SO4-2 = Cd(SO4)2-2
+	-log_k	3.5
+	-Vm   -6.29  0  -93  0  9.5  7  0  0  0  1
+Cd+2 + Br- = CdBr+ 
+	-log_k  2.17
+	-delta_h -0.81 kcal
+Cd+2 + 2Br- = CdBr2
+	-log_k  2.9
+Cd+2 + F- = CdF+ 
+	-log_k  1.1
+Cd+2 + 2F- = CdF2
+	-log_k  1.5  
+Cd+2 + HS- = CdHS+ 
+	-log_k  10.17
+Cd+2 + 2HS- = Cd(HS)2 
+	-log_k  16.53
+Cd+2 + 3HS- = Cd(HS)3-
+	-log_k  18.71
+Cd+2 + 4HS- = Cd(HS)4-2
+	-log_k  20.9  
+Pb+2 + H2O = PbOH+ + H+
+	-log_k	-7.71
+Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
+	-log_k	-17.12
+Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
+	-log_k	-28.06
+Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
+	-log_k	-39.7
+2 Pb+2 + H2O = Pb2OH+3 + H+
+	-log_k	-6.36
+Pb+2 + Cl- = PbCl+
+	-log_k	1.6
+	-delta_h 4.38 kcal
+	-Vm  2.8934  -.7165  6.0316  -2.7494  .1281 6 # supcrt
+Pb+2 + 2 Cl- = PbCl2
+	-log_k	1.8
+	-delta_h 1.08 kcal
+	-Vm  6.5402  8.1879  2.5318  -3.1175  -.0300 # supcrt
+Pb+2 + 3 Cl- = PbCl3-
+	-log_k	1.7
+	-delta_h 2.17 kcal
+	-Vm  11.0396  19.1743  -1.7863  -3.5717  .7356 # supcrt
+Pb+2 + 4 Cl- = PbCl4-2
+	-log_k	1.38
+	-delta_h 3.53 kcal
+	-Vm  16.4150  32.2997  -6.9452  -4.1143  2.3118 # supcrt
+Pb+2 + CO3-2 = PbCO3
+	-log_k	7.24
+Pb+2 + 2 CO3-2 = Pb(CO3)2-2
+	-log_k	10.64
+Pb+2 + HCO3- = PbHCO3+
+	-log_k	2.9
+Pb+2 + SO4-2 = PbSO4
+	-log_k	2.75
+Pb+2 + 2 SO4-2 = Pb(SO4)2-2
+	-log_k	3.47
+Pb+2 + 2HS- = Pb(HS)2 
+	-log_k  15.27
+Pb+2 + 3HS- = Pb(HS)3-
+	-log_k  16.57
+3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ 
+	-log_k  -23.88
+	-delta_h 26.5 kcal  
+Pb+2 + NO3- = PbNO3+
+	-log_k	1.17
+Pb+2 + Br- = PbBr+ 
+	-log_k  1.77
+	-delta_h 2.88 kcal
+Pb+2 + 2Br- = PbBr2 
+	-log_k  1.44	
+Pb+2 + F- = PbF+ 
+	-log_k  1.25
+Pb+2 + 2F- = PbF2
+	-log_k  2.56
+Pb+2 + 3F- = PbF3-
+	-log_k  3.42
+Pb+2 + 4F- = PbF4-2
+	-log_k  3.1  
+
+PHASES
+Calcite
+	CaCO3 = CO3-2 + Ca+2
+	-log_k	-8.48
+	-delta_h -2.297 kcal
+	-analytic 17.118  -0.046528  -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982
+	-Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3)
+Aragonite
+	CaCO3 = CO3-2 + Ca+2
+	-log_k	-8.336
+	-delta_h -2.589 kcal
+	-analytic	-171.9773	-0.077993	2903.293	71.595
+	-Vm 34.04
+Dolomite
+	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
+	-log_k	-17.09
+	-delta_h  -9.436 kcal
+	-analytic  31.283  -0.0898  -6438 #  25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275.
+	-Vm 64.5
+Siderite
+	FeCO3 = Fe+2 + CO3-2
+	-log_k	-10.89
+	-delta_h  -2.480 kcal
+	-Vm 29.2
+Rhodochrosite
+	MnCO3 = Mn+2 + CO3-2
+	-log_k	-11.13
+	-delta_h  -1.430 kcal
+	-Vm 31.1
+Strontianite
+	SrCO3 = Sr+2 + CO3-2
+	-log_k	-9.271
+	-delta_h -0.400 kcal
+	-analytic	155.0305	0.0	-7239.594	-56.58638
+	-Vm 39.69
+Witherite
+	BaCO3 = Ba+2 + CO3-2
+	-log_k	-8.562
+	-delta_h  0.703 kcal
+	-analytic	607.642	0.121098	-20011.25	-236.4948
+	-Vm 46
+Gypsum
+	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
+	-log_k	-4.58
+	-delta_h -0.109 kcal
+	-analytic	68.2401	0.0	-3221.51	-25.0627
+	-analytical_expression  93.7  5.99E-03  -4e3  -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62
+	-Vm 73.9 # 172.18 / 2.33  (Vm H2O = 13.9 cm3/mol)
+Anhydrite
+	CaSO4 = Ca+2 + SO4-2
+	-log_k	-4.36
+	-delta_h -1.710 kcal
+	-analytic  84.90  0  -3135.12  -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323.
+	-Vm 46.1 # 136.14 / 2.95
+Celestite
+	SrSO4 = Sr+2 + SO4-2
+	-log_k	-6.63
+	-delta_h -4.037 kcal
+#	-analytic	-14805.9622	-2.4660924	756968.533	5436.3588	-40553604.0
+	-analytic  -7.14 6.11e-3  75 0 0 -1.79e-5  # Howell et al., 1992, JCED 37, 464.
+	-Vm 46.4
+Barite
+	BaSO4 = Ba+2 + SO4-2
+	-log_k	-9.97
+	-delta_h  6.35 kcal
+	-analytical_expression  -282.43  -8.972e-2  5822  113.08 # Blount 1977; Templeton, 1960
+	-Vm 52.9
+Arcanite
+	K2SO4  =  SO4-2 + 2 K+
+	log_k   -1.776; -delta_h 5 kcal
+	-analytical_expression   674.142  0.30423  -18037  -280.236  0  -1.44055e-4 # ref. 3
+	# Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06
+	-Vm 65.5
+Mirabilite
+	Na2SO4:10H2O  =  SO4-2 + 2 Na+ + 10 H2O
+	-analytical_expression  -301.9326  -0.16232  0  141.078 # ref. 3
+	Vm 216
+Thenardite
+	Na2SO4 = 2 Na+ + SO4-2
+	-analytical_expression  57.185  8.6024e-2  0  -30.8341  0  -7.6905e-5 # ref. 3
+	-Vm 52.9
+Epsomite
+        MgSO4:7H2O  =  Mg+2 + SO4-2 + 7 H2O
+        log_k      -1.74; -delta_h 10.57 kJ
+        -analytical_expression  -3.59  6.21e-3
+        Vm 147
+Hexahydrite
+        MgSO4:6H2O  =  Mg+2 + SO4-2 + 6 H2O
+        log_k      -1.57; -delta_h 2.35 kJ
+        -analytical_expression  -1.978  1.38e-3
+        Vm 132
+Kieserite
+        MgSO4:H2O  =  Mg+2 + SO4-2 + H2O
+        log_k      -1.16; -delta_h 9.22 kJ
+        -analytical_expression  29.485  -5.07e-2  0  -2.662  -7.95e5
+        Vm 53.8
+Hydroxyapatite
+	Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
+	-log_k	 -3.421
+	-delta_h -36.155 kcal
+	-Vm 128.9
+Fluorite
+	CaF2 = Ca+2 + 2 F-
+	-log_k	-10.6
+	-delta_h   4.69 kcal
+	-analytic	66.348	0.0	-4298.2	-25.271
+	-Vm 15.7
+SiO2(a)
+	SiO2 + 2 H2O = H4SiO4
+	-log_k	-2.71
+	-delta_h  3.340 kcal
+	-analytic	-0.26	0.0	-731.0
+Chalcedony
+	SiO2 + 2 H2O = H4SiO4
+	-log_k	-3.55
+	-delta_h  4.720 kcal
+	-analytic	-0.09	0.0	-1032.0
+	-Vm 23.1
+Quartz
+	SiO2 + 2 H2O = H4SiO4
+	-log_k	-3.98
+	-delta_h  5.990 kcal
+	-analytic	0.41	0.0	-1309.0
+	-Vm 22.67
+Gibbsite
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	-log_k	  8.11
+	-delta_h -22.800 kcal
+	-Vm 32.22
+Al(OH)3(a)
+	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
+	-log_k	 10.8
+	-delta_h -26.500 kcal
+Kaolinite
+	Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
+	-log_k	  7.435
+	-delta_h -35.300 kcal
+	-Vm 99.35
+Albite
+	NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4
+	-log_k	-18.002
+	-delta_h 25.896 kcal
+	-Vm 101.31
+Anorthite
+	CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4
+	-log_k	-19.714
+	-delta_h 11.580 kcal
+	-Vm 105.05
+K-feldspar
+	KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4
+	-log_k	-20.573
+	-delta_h 30.820	kcal
+	-Vm 108.15
+K-mica
+	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
+	-log_k	12.703
+	-delta_h -59.376 kcal
+Chlorite(14A)
+	Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O
+	-log_k	68.38
+	-delta_h -151.494 kcal
+Ca-Montmorillonite
+	Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+
+	-log_k	-45.027
+	-delta_h 58.373	kcal
+	-Vm 156.16
+Talc
+	Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
+	-log_k	21.399
+	-delta_h -46.352 kcal
+	-Vm 68.34
+Illite
+	K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+
+	-log_k	-40.267
+	-delta_h 54.684 kcal
+	-Vm 141.48
+Chrysotile
+	Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2
+	-log_k	32.2
+	-delta_h -46.800 kcal
+	-analytic	13.248	0.0	10217.1	-6.1894
+	-Vm  106.5808  # 277.11/2.60
+Sepiolite
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k	15.760
+	-delta_h -10.700 kcal
+	-Vm 143.765
+Sepiolite(d)
+	Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4
+	-log_k	18.66
+Hematite
+	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
+	-log_k	-4.008
+	-delta_h -30.845 kcal
+	-Vm 30.39
+Goethite
+	FeOOH + 3 H+ = Fe+3 + 2 H2O
+	-log_k	-1.0
+	-delta_h	 -14.48 kcal
+	-Vm 20.84
+Fe(OH)3(a)
+	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
+	-log_k	4.891
+Pyrite
+	FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
+	-log_k	-18.479
+	-delta_h 11.300 kcal
+	-Vm 23.48
+FeS(ppt)
+	FeS + H+ = Fe+2 + HS-
+	-log_k	-3.915
+Mackinawite
+	FeS + H+ = Fe+2 + HS-
+	-log_k	-4.648
+	-Vm 20.45
+Sulfur
+	S + 2H+ + 2e- = H2S
+	-log_k	4.882
+	-delta_h -9.5 kcal
+Vivianite
+	Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
+	-log_k	-36.0
+Pyrolusite	# H2O added for surface calc's
+	MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O
+	-log_k	41.38
+	-delta_h -65.110 kcal
+Hausmannite
+	Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
+	-log_k	61.03
+	-delta_h -100.640 kcal
+Manganite
+	MnOOH + 3 H+ + e- = Mn+2 + 2 H2O
+	-log_k	25.34
+Pyrochroite
+	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
+	-log_k	15.2
+Halite
+	NaCl  =  Cl- + Na+
+	log_k	  1.570
+	-delta_h  1.37
+	#-analytic -713.4616   -.1201241   37302.21    262.4583    -2106915.
+	-Vm 27.1
+Sylvite
+	KCl  = K+ + Cl-
+	log_k	   0.900
+	-delta_h  8.5
+	# -analytic     3.984     0.0	 -919.55
+	Vm 37.5
+# Gases...
+CO2(g)
+	CO2 = CO2
+	-log_k	-1.468
+	-delta_h -4.776 kcal
+	-analytic   10.5624  -2.3547e-2  -3972.8  0  5.8746e5  1.9194e-5
+	-T_c  304.2 # critical T, K
+	-P_c   72.86 # critical P, atm
+	-Omega 0.225 # acentric factor
+H2O(g)
+	H2O = H2O
+	-log_k  1.506; delta_h -44.03 kJ
+	-T_c  647.3; -P_c  217.60; -Omega 0.344
+	-analytic   -16.5066 -2.0013E-3  2710.7  3.7646  0 2.24E-6
+O2(g)
+	O2 = O2
+	-log_k   -2.8983
+	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
+	-T_c  154.6; -P_c   49.80; -Omega 0.021
+H2(g)
+	H2 = H2
+	-log_k	   -3.1050
+	-delta_h -4.184  kJ
+	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
+	-T_c  33.2; -P_c   12.80; -Omega -0.225
+N2(g)
+	N2 = N2
+	-log_k		 -3.1864
+	-analytic -58.453 1.818e-3  3199  17.909 -27460
+	-T_c  126.2; -P_c   33.50; -Omega 0.039
+H2S(g)
+	H2S  =  H+ + HS-
+	log_k	   -7.93
+	-delta_h   9.1
+	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c  373.2; -P_c  88.20; -Omega 0.1
+CH4(g)
+	CH4 = CH4
+	-log_k -2.8
+	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+#Amm(g)
+#	Amm = Amm
+NH3(g)
+	NH3 = NH3	
+	-log_k	   1.7966
+	-analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192
+	-T_c  405.6; -P_c   111.3; -Omega 0.25
+# redox-uncoupled gases
+Oxg(g)
+	Oxg = Oxg
+	-analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5
+	-T_c  154.6 ; -P_c   49.80 ; -Omega 0.021
+Hdg(g)
+	Hdg = Hdg
+	-analytic   -9.3114    4.6473e-3   -49.335    1.4341    1.2815e5
+	-T_c  33.2 ; -P_c   12.80 ; -Omega -0.225
+Ntg(g)
+	Ntg = Ntg
+	-analytic -58.453 1.81800e-3  3199  17.909 -27460
+	T_c  126.2 ; -P_c   33.50 ; -Omega 0.039
+Mtg(g)
+	Mtg = Mtg
+	-log_k -2.8
+	-analytic   10.44  -7.65e-3  -6669  0  1.014e6 # CH4 solubilities 25 - 100°C
+	-T_c  190.6 ; -P_c   45.40 ; -Omega 0.008
+H2Sg(g)
+	H2Sg  =  H+ + HSg-
+	log_k	   -7.93
+	-delta_h   9.1
+	-analytic -45.07  -0.02418  0  17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816
+	-T_c  373.2 ; -P_c  88.20 ; -Omega 0.1
+Melanterite
+	FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2
+	-log_k	-2.209
+	-delta_h 4.910	kcal
+	-analytic	1.447	-0.004153	0.0	0.0	-214949.0
+Alunite
+	KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O
+	-log_k	-1.4
+	-delta_h -50.250 kcal
+Jarosite-K
+	KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2
+	-log_k	-9.21
+	-delta_h -31.280 kcal
+Zn(OH)2(e)
+	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
+	-log_k	11.5
+Smithsonite
+	ZnCO3 = Zn+2 + CO3-2
+	-log_k	-10.0
+	-delta_h -4.36	kcal
+Sphalerite
+	ZnS + H+ = Zn+2 + HS-
+	-log_k	-11.618
+	-delta_h 8.250	kcal
+Willemite	289
+	Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4
+	-log_k	15.33
+	-delta_h -33.37	kcal
+Cd(OH)2
+	Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
+	-log_k	13.65
+Otavite	315
+	CdCO3 = Cd+2 + CO3-2
+	-log_k	-12.1
+	-delta_h -0.019	kcal
+CdSiO3	328
+	CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4
+	-log_k	9.06
+	-delta_h -16.63	kcal
+CdSO4	329
+	CdSO4 = Cd+2 + SO4-2
+	-log_k	-0.1
+	-delta_h -14.74	kcal
+Cerussite	365
+	PbCO3 = Pb+2 + CO3-2
+	-log_k	-13.13
+	-delta_h 4.86	kcal
+Anglesite	384
+	PbSO4 = Pb+2 + SO4-2
+	-log_k	-7.79
+	-delta_h 2.15	kcal
+Pb(OH)2	389
+	Pb(OH)2 + 2H+ = Pb+2 + 2H2O
+	-log_k	8.15
+	-delta_h -13.99	kcal
+
+EXCHANGE_MASTER_SPECIES
+	X	X-
+EXCHANGE_SPECIES
+	X- = X-
+	-log_k	0.0
+
+	Na+ + X- = NaX
+	-log_k	0.0
+	-gamma	4.08 0.082
+
+	K+ + X- = KX
+	-log_k	0.7
+	-gamma	3.5	0.015
+	-delta_h  -4.3	# Jardine & Sparks, 1984
+
+	Li+ + X- = LiX
+	-log_k	-0.08
+	-gamma	6.0	0
+	-delta_h  1.4	# Merriam & Thomas, 1956
+
+# !!!!!
+#	H+ + X- = HX
+#	-log_k	1.0
+#	-gamma	9.0	0
+
+#	AmmH+ + X- = AmmHX
+	NH4+ + X- = NH4X
+	-log_k	0.6
+	-gamma	2.5	0
+	-delta_h  -2.4	# Laudelout et al., 1968
+
+	Ca+2 + 2X- = CaX2
+	-log_k	0.8
+	-gamma	5.0	0.165
+	-delta_h  7.2    # Van Bladel & Gheyl, 1980
+
+	Mg+2 + 2X- = MgX2
+	-log_k	0.6
+	-gamma	5.5	0.2
+	-delta_h  7.4	# Laudelout et al., 1968
+
+	Sr+2 + 2X- = SrX2
+	-log_k	0.91
+	-gamma	5.26	0.121
+	-delta_h  5.5	# Laudelout et al., 1968
+
+	Ba+2 + 2X- = BaX2
+	-log_k	0.91
+	-gamma	4.0  0.153
+	-delta_h  4.5	# Laudelout et al., 1968
+
+	Mn+2 + 2X- = MnX2
+	-log_k	0.52
+	-gamma	6.0	0
+
+	Fe+2 + 2X- = FeX2
+	-log_k	0.44
+	-gamma	6.0	0
+
+	Cu+2 + 2X- = CuX2
+	-log_k	0.6
+	-gamma	6.0	0
+
+	Zn+2 + 2X- = ZnX2
+	-log_k	0.8
+	-gamma	5.0	0
+
+	Cd+2 + 2X- = CdX2
+	-log_k	0.8
+	-gamma 0.0  0
+
+	Pb+2 + 2X- = PbX2
+	-log_k	1.05
+	-gamma 0.0  0
+
+	Al+3 + 3X- = AlX3
+	-log_k	0.41
+	-gamma	9.0	0
+
+	AlOH+2 + 2X- = AlOHX2
+	-log_k	0.89
+	-gamma	0.0	0
+
+SURFACE_MASTER_SPECIES
+	Hfo_s	Hfo_sOH
+	Hfo_w	Hfo_wOH
+SURFACE_SPECIES
+# All surface data from
+# Dzombak and Morel, 1990
+#
+#
+# Acid-base data from table 5.7
+#
+# strong binding site--Hfo_s,
+
+	Hfo_sOH = Hfo_sOH
+	-log_k	0
+
+	Hfo_sOH	+ H+ = Hfo_sOH2+
+	-log_k	7.29	# = pKa1,int
+
+	Hfo_sOH = Hfo_sO- + H+
+	-log_k	-8.93	# = -pKa2,int
+
+# weak binding site--Hfo_w
+
+	Hfo_wOH = Hfo_wOH
+	-log_k	0
+
+	Hfo_wOH	+ H+ = Hfo_wOH2+
+	-log_k	7.29	# = pKa1,int
+
+	Hfo_wOH = Hfo_wO- + H+
+	-log_k	-8.93	# = -pKa2,int
+###############################################
+# CATIONS #
+###############################################
+#
+# Cations from table 10.1 or 10.5
+#
+# Calcium
+	Hfo_sOH + Ca+2 = Hfo_sOHCa+2
+	-log_k	4.97
+
+	Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
+	-log_k -5.85
+# Strontium
+	Hfo_sOH + Sr+2 = Hfo_sOHSr+2
+	-log_k	5.01
+
+	Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
+	-log_k -6.58
+
+	Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+
+	-log_k -17.6
+# Barium
+	Hfo_sOH + Ba+2 = Hfo_sOHBa+2
+	-log_k	5.46
+
+	Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
+	-log_k	-7.2	# table 10.5
+#
+# Cations from table 10.2
+#
+# Cadmium
+	Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
+	-log_k	0.47
+
+	Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
+	-log_k	-2.91
+# Zinc
+	Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
+	-log_k	0.99
+
+	Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
+	-log_k	-1.99
+# Copper
+	Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
+	-log_k	2.89
+
+	Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
+	-log_k	0.6	# table 10.5
+# Lead
+	Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
+	-log_k	4.65
+
+	Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
+	-log_k	0.3	# table 10.5
+#
+# Derived constants table 10.5
+#
+# Magnesium
+	Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
+	-log_k -4.6
+# Manganese
+	Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
+	-log_k	-0.4	# table 10.5
+
+	Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
+	-log_k -3.5	# table 10.5
+# Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096
+	Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
+	-log_k	-0.95
+# Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M
+	Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
+	-log_k -2.98
+
+	Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+
+	-log_k -11.55
+###############################################
+# ANIONS #
+###############################################
+#
+# Anions from table 10.6
+#
+# Phosphate
+	Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O
+	-log_k	31.29
+
+	Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O
+	-log_k	25.39
+
+	Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
+	-log_k	17.72
+#
+# Anions from table 10.7
+#
+# Borate
+	Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
+	-log_k	0.62
+#
+# Anions from table 10.8
+#
+# Sulfate
+	Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
+	-log_k	7.78
+
+	Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
+	-log_k	0.79
+#
+# Derived constants table 10.10
+#
+	Hfo_wOH + F- + H+ = Hfo_wF + H2O
+	-log_k	8.7
+
+	Hfo_wOH + F- = Hfo_wOHF-
+	-log_k	1.6
+#
+# Carbonate: Van Geen et al., 1994 reoptimized for D&M model
+#
+	Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
+	-log_k	12.56
+
+	Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
+	-log_k	20.62
+#
+# Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422.
+#
+	Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O        ; log_K   4.28 
+	Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O  ; log_K  -3.22 
+	Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69
+
+RATES
+
+###########
+#Quartz
+###########
+#
+#######
+# Example of quartz kinetic rates block:
+#	KINETICS
+#	Quartz
+#		-m0  158.8	    # 90 % Qu
+#		-parms 0.146  1.5
+#		-step 3.1536e8 in 10
+#		-tol 1e-12
+
+Quartz
+  -start
+1  REM  Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
+2  REM  k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
+3  REM  sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
+4  REM  PARM(1) = Specific area of Quartz, m^2/mol Quartz
+5  REM  PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
+
+10 dif_temp = 1/TK - 1/298
+20 pk_w = 13.7 + 4700.4 * dif_temp
+40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 -  SR("Quartz"))
+#			 Integrate...
+50 SAVE moles * TIME
+  -end
+
+###########
+#K-feldspar
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
+# GFW Kspar 0.278 kg/mol
+#
+# Moles of Kspar per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
+#   Mass of Kspar per liter pore space 6.07x0.1           = 0.607    kg Kspar/L pore space
+#   Moles of Kspar per liter pore space 0.607/0.278       = 2.18     mol Kspar/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Kspar/sphere
+#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Kspar/sphere
+#   Moles of Kspar in sphere 1.36e-9/0.278                = 4.90e-9  mol Kspar/sphere
+#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
+#
+#
+# Example of KINETICS data block for K-feldspar rate:
+#       KINETICS 1
+#       K-feldspar
+#               -m0 2.18            # 10% Kspar, 0.1 mm cubes
+#               -m  2.18            # Moles per L pore space
+#               -parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
+#               -time 1.5 year in 40
+
+K-feldspar
+ -start
+1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2   REM PARM(1) = Specific area of Kspar m^2/mol Kspar
+3   REM PARM(2) = Adjusts lab rate to field rate
+4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5   REM K-Feldspar parameters
+10  DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
+20  RESTORE 10
+30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40  DATA 3500, 2000, 2500, 2000
+50  RESTORE 40
+60  READ e_H, e_H2O, e_OH, e_CO2
+70  pk_CO2 = 13
+80  n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H     = pk_H + e_H * dif_temp
+150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH    = pk_OH + e_OH * dif_temp
+210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area     = PARM(1) * M0 *(M/M0)^0.67
+270 rate     = PARM(2) * area * rate * (1-SR("K-feldspar"))
+280 moles    = rate * TIME
+290 SAVE moles
+ -end
+
+
+###########
+#Albite
+###########
+#
+# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
+# using laboratory kinetics: Reviews in mineralogy and geochemistry,
+# vol. 31, p. 485-541.
+#
+# As described in:
+# Appelo and Postma, 2005, Geochemistry, groundwater
+# and pollution, 2nd Edition: A.A. Balkema Publishers,
+# p. 162-163 and 395-399.
+#
+# Example of KINETICS data block for Albite rate:
+#       KINETICS 1
+#       Albite
+#               -m0 0.46            # 2% Albite, 0.1 mm cubes
+#               -m  0.46            # Moles per L pore space
+#               -parms 6.04  0.1    # m^2/mol Albite, fraction adjusts lab rate to field rate
+#               -time 1.5 year in 40
+#
+# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm)
+# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
+# GFW Albite 0.262 kg/mol
+#
+# Moles of Albite per liter pore space calculation:
+#   Mass of rock per liter pore space = 0.7*2.6/0.3       = 6.07     kg rock/L pore space
+#   Mass of Albite per liter pore space 6.07x0.02         = 0.121    kg Albite/L pore space
+#   Moles of Albite per liter pore space 0.607/0.262      = 0.46     mol Albite/L pore space
+#
+# Specific area calculation:
+#   Volume of sphere 4/3 x pi x r^3                       = 5.24e-13 m^3 Albite/sphere
+#   Mass of sphere 2600 x 5.24e-13                        = 1.36e-9  kg Albite/sphere
+#   Moles of Albite in sphere 1.36e-9/0.262               = 5.20e-9  mol Albite/sphere
+#   Surface area of one sphere 4 x pi x r^2               = 3.14e-8  m^2/sphere
+#   Specific area of Albite in sphere 3.14e-8/5.20e-9     = 6.04 m^2/mol Albite
+
+Albite
+ -start
+1   REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
+2   REM PARM(1) = Specific area of Albite m^2/mol Albite
+3   REM PARM(2) = Adjusts lab rate to field rate
+4   REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
+5   REM Albite parameters
+10  DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
+20  RESTORE 10
+30  READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
+40  DATA 3500, 2000, 2500, 2000
+50  RESTORE 40
+60  READ e_H, e_H2O, e_OH, e_CO2
+70  pk_CO2 = 13
+80  n_CO2 = 0.6
+100 REM Generic rate follows
+110 dif_temp = 1/TK - 1/281
+120 BC       = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+130 REM rate by H+
+140 pk_H     = pk_H + e_H * dif_temp
+150 rate_H   = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
+160 REM rate by hydrolysis
+170 pk_H2O   = pk_H2O + e_H2O * dif_temp
+180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
+190 REM rate by OH-
+200 pk_OH    = pk_OH + e_OH * dif_temp
+210 rate_OH  = 10^-pk_OH * ACT("OH-")^o_OH
+220 REM rate by CO2
+230 pk_CO2   = pk_CO2 + e_CO2 * dif_temp
+240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
+250 rate     = rate_H + rate_H2O + rate_OH + rate_CO2
+260 area     = PARM(1) * M0 *(M/M0)^0.67
+270 rate     = PARM(2) * area * rate * (1-SR("Albite"))
+280 moles    = rate * TIME
+290 SAVE moles
+ -end
+
+########
+#Calcite
+########
+# Example of KINETICS data block for calcite rate,
+#   in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.
+# KINETICS 1
+# Calcite
+# -tol   1e-8
+# -m0    3.e-3
+# -m     3.e-3
+# -parms 1.67e5   0.6  # cm^2/mol calcite, exp factor
+# -time  1 day
+
+Calcite
+   -start
+1   REM   PARM(1) = specific surface area of calcite, cm^2/mol calcite
+2   REM   PARM(2) = exponent for M/M0
+
+10  si_cc = SI("Calcite")
+20  IF (M <= 0  and si_cc < 0) THEN GOTO 200
+30  k1 = 10^(0.198 - 444.0 / TK )
+40  k2 = 10^(2.84 - 2177.0 /TK )
+50  IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
+60  IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
+80  IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
+110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
+120 rate = rate * (1 - 10^(2/3*si_cc))
+130 moles = rate * 0.001 * TIME # convert from mmol to mol
+200 SAVE moles
+   -end
+
+#######
+#Pyrite
+#######
+#
+# Williamson, M.A. and Rimstidt, J.D., 1994,
+# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
+# rate equation is mol m^-2 s^-1.
+#
+# Example of KINETICS data block for pyrite rate:
+#       KINETICS 1
+#       Pyrite
+#               -tol    1e-8
+#               -m0     5.e-4
+#               -m      5.e-4
+#               -parms  0.3     0.67     .5      -0.11
+#               -time 1 day in 10
+Pyrite
+  -start
+1   REM        Williamson and Rimstidt, 1994
+2   REM        PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
+3   REM        PARM(2) = exp for (M/M0)
+4   REM        PARM(3) = exp for O2
+5   REM        PARM(4) = exp for H+
+
+10  REM Dissolution in presence of DO
+20  if (M <= 0) THEN GOTO 200
+30  if (SI("Pyrite") >= 0) THEN GOTO 200
+40  log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
+50  log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
+60  moles = 10^(log_area + log_rate) * TIME
+200 SAVE moles
+  -end
+
+##########
+#Organic_C
+##########
+#
+# Example of KINETICS data block for SOC (sediment organic carbon):
+#       KINETICS 1
+#       Organic_C
+#               -formula C
+#               -tol    1e-8
+#               -m      5e-3   # SOC in mol
+#               -time 30 year in 15
+Organic_C
+ -start
+1   REM      Additive Monod kinetics for SOC (sediment organic carbon)
+2   REM      Electron acceptors: O2, NO3, and SO4
+
+10  if (M <= 0) THEN GOTO 200
+20  mO2   = MOL("O2")
+30  mNO3  = TOT("N(5)")
+40  mSO4  = TOT("S(6)")
+50  k_O2  = 1.57e-9    # 1/sec
+60  k_NO3 = 1.67e-11   # 1/sec
+70  k_SO4 = 1.e-13     # 1/sec
+80  rate  = k_O2 * mO2/(2.94e-4 + mO2)
+90  rate  = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
+100 rate  = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
+110 moles = rate * M * (M/M0) * TIME
+200 SAVE moles
+ -end
+
+###########
+#Pyrolusite
+###########
+#
+# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
+# Rate equation given as mol L^-1 s^-1
+#
+# Example of KINETICS data block for Pyrolusite
+#       KINETICS 1-12
+#       Pyrolusite
+#               -tol    1.e-7
+#               -m0     0.1
+#               -m      0.1
+#               -time 0.5 day in 10
+Pyrolusite
+  -start
+10  if (M <= 0) THEN GOTO 200
+20  sr_pl = SR("Pyrolusite")
+30  if (sr_pl > 1) THEN GOTO 100
+40  REM sr_pl <= 1, undersaturated
+50  Fe_t = TOT("Fe(2)")
+60  if Fe_t < 1e-8 then goto 200
+70  moles = 6.98e-5 * Fe_t  * (M/M0)^0.67 * TIME * (1 - sr_pl)
+80  GOTO 200
+100 REM sr_pl > 1, supersaturated
+110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
+200 SAVE moles * SOLN_VOL
+  -end
+END
+# =============================================================================================
+#(a) means amorphous. (d) means disordered, or less crystalline. 
+#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), 
+#precipitated, indicates an initial precipitate that is less crystalline. 
+#Zn(OH)2(e) indicates a specific crystal form, epsilon.
+# ============================================================================================= 
+# For the reaction aA + bB = cC + dD,
+#   with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B),
+# PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT).
+#   Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin.
+# Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS.
+#   Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are
+#    hard-coded in calc_PR():
+#    kij    CH4    CO2    H2S    N2
+#    H2O    0.49   0.19   0.19   0.49
+# =============================================================================================
+# The molar volumes of solids are entered with
+#                         -Vm vm cm3/mol
+#    vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted.
+# Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from
+#   Deer, Howie and Zussman, The rock-forming minerals, Longman.
+#                           --------------------
+# Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich-
+#   type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with 
+#                        -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4
+# The volume (cm3/mol) is
+#    Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb)  + a3 / (T - 228) +
+#                            a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn)
+#                   + z^2 / 2 * Av * f(I^0.5)
+#                   + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4
+#   Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899).
+#   41.84 transforms cal/bar/mol into cm3/mol.
+#   pb is pressure in bar.
+#   W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation,
+#     W is fitted on measured solution densities.
+#   z is charge of the solute species.
+#   Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic).
+#   a0 is the ion-size parameter in the extended Debye-Hückel equation:
+#     f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5),
+#     a0 = -gamma x for cations, = 0 for anions.
+# For details, consult ref. 1.
+# =============================================================================================
+# The viscosity is calculated with a (modified) Jones-Dole equation:
+#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+# Parameters are for calculating the B and D terms:
+#    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
+#    #           b0       b1       b2      d1       d2      d3     tan
+#    z_i is absolute charge number, m_i is molality of i
+#    B_i = b0 + b1 exp(-b2 * tc)
+#    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
+#    D_i = d1 + exp(-d2 tc)
+#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
+# For details, consult ref. 4.
+#
+# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. 
+# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725.
+# ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113.
+# ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
+#
+# =============================================================================================
+# It remains the responsibility of the user to check the calculated results, for example with
+#   measured solubilities as a function of (P, T).
diff --git a/phreeqc3-doc/Phreeqc_3_2013_manual_fromPDF.docx b/phreeqc3-doc/Phreeqc_3_2013_manual_fromPDF.docx
new file mode 100644
index 00000000..8a2686d4
Binary files /dev/null and b/phreeqc3-doc/Phreeqc_3_2013_manual_fromPDF.docx differ
diff --git a/phreeqc3-doc/RELEASE.TXT b/phreeqc3-doc/RELEASE.TXT
index 3012b298..902b52a6 100644
--- a/phreeqc3-doc/RELEASE.TXT
+++ b/phreeqc3-doc/RELEASE.TXT
@@ -1,4 +1,294 @@
 Version @PHREEQC_VER@: @PHREEQC_DATE@
+
+  	-----------------
+	August 27, 2024
+  	-----------------
+	Added variable "viscos_DDL" in EDL("viscos_DDL", "surface_name") to give the
+	viscosity of a Donnan layer on a surface in BASIC. Note that the "surface_name"
+	should not contain an underscore "_", the Donnan properties are for the surface,
+	not for surface charge, thus use the surface name "Hfo", not "Hfo_w". If
+	"surface_name" is omitted, the viscosity is given for the first surface in the
+	alphabetical order.
+
+	The viscosity of the Donnan layer on a surface is printed now in the output file.
+
+	The viscosity calculation was adapted for high concentrations of neutral species
+	and gases. Viscosity parameters for CO2 were added using data from McBride et
+	al., 2015, JCED 60, 171-180. See example c:\phreeqc\viscosity\CO2.phr.
+
+Version 3.8.1: August 23, 2024
+
+  	-----------------
+	August 20, 2024
+  	-----------------
+	PhreeqcRM (Python): Expanded documentation in BMI Python example notebook for
+	PHREEQC example 11 (ex11-advect.ipynb), courtesy of LimnoTech.
+	
+	-----------------
+	August 14, 2024
+	-----------------
+	IPhreeqc: Pull request for modifications of class definition order and header file to 
+	accommodate Clang 15 on Mac.
+
+	-----------------
+	August 13, 2024
+	-----------------
+	IPhreeqc: This resolves an issue when building shared libraries (DLLs) on Windows with
+	BUILD_SHARED_LIBS=ON and BUILD_TESTING=ON enabled in CMake.
+
+	Sets BUILD_SHARED_LIBS=OFF when building the googletest framework.
+	Adds ctest-shared.cmake for testing shared library builds.
+
+	It also resolves a build error that occurred when building shared libraries (DLLs) on
+	Windows using the Ninja generator.
+
+	Adds the _WINDLL preprocessor definition for shared Windows builds.
+	
+	-----------------
+	August 8, 2024
+  	-----------------
+	PhreeqcRM (Python): Fixed one docstring. Added code to handle numpy arrays 
+	in yamlphreeqc.
+	
+  	-----------------
+	July 11, 2024
+  	-----------------
+	PHREEQC: Fixed a bug in the DUMP routines. Under some circumstances
+	erroneous output was dumped for a user number.  In most cases, the
+	correct output was dumped following the erroneous output, which
+	caused the erroneous output to be ignored.
+	
+Version 3.8.0: July  3, 2024
+
+  	-----------------
+	May 18, 2024
+  	-----------------
+	DATABASES:
+	sit.dat was updated to version 12a (Aug 22, 2023) from www.thermochimie-tdb.com.
+
+	Amm.dat, iso.dat, llnl.dat, minteq.dat, minteq.v4.dat, phreeqc.dat, 
+	phreeqc_rates.dat, pitzer.dat. Tipping_Hurley.dat, and wateq4f.dat were 
+	reformatted by using the lsp utility by David Kinniburgh from phreeplot.org.
+
+  	-----------------
+	May 3, 2024
+  	-----------------
+	PHREEQC: The -dw identifier of SOLUTION_SPECIES now has up to 7 items.
+	
+	-dw Dw(25C) dw_T a a2 visc a3 a_v_dif  
+	
+	where,
+	Dw(25C)--Tracer diffusion coefficient for the species at 25 °C, m 2 /s. 
+	dw_T--Temperature dependence for diffusion coefficient.
+	a--Debye-Hückel ion size.
+	a2--exponent.
+	Visc--Viscosity exponent.
+	a3--Ionic strength exponent.
+	A_v_dif--Exponent for (viscosity_0/viscosity).
+	
+	The diffusion coefficient is calculated as follows:
+	Dw = Dw(25C) * exp(dw_T / T - dw_T / 298.15)
+	ka = DH_B * a2 * I0.5/ (1 + a3)
+	av = (viscos_0/viscos)a_v_diff
+	ff = av * exp(-a * DH_A * z * I0.5 / (1 + ka))
+	Dw = Dw * ff
+	Where T is temperature in Kelvin, DH_B is the Debye-Hückel B parameter, 
+	I is ionic strength, viscos_0 is the viscosity of pure water at T, viscos is 
+	the viscosity of the solution at T, DH_A is the Debye-Hückel A parameter,
+	and z is the charge on the species,the viscosity of the solution. 
+	See Robinson and Stokes, 2002, Chpt 11 for examples. 
+	The Dw and a_v_dif can be set in a USER_ program with 
+	setdiff_c("name", Dw, a_v_dif), for example: 
+	  10 print setdiff_c("H+", 9.31e-9, 1). 
+	The diffusion coefficient of H+ is handled differently with 
+	Falkenhagen equations. 
+
+  	-----------------
+	May 3, 2024
+  	-----------------
+    PHREEQC: The ionic strength correction is for electromigration calculations 
+	(Appelo, 2017, CCR 101, 102). The correction is applied when the 6th parameter
+	option is set to true for -multi_D in TRANSPORT:
+    
+	-multi_d true/false 1e-9 0.3 0.05 1.0 true/false # multicomponent diffusion
+	
+	true/false, multicomponent diffusion is used,
+	default tracer diffusion coefficient (used in case -dw is not defined for a species), 
+	porosity (por = 0.3), 
+	limiting porosity (0.05) below which diffusion stops, 
+	exponent n (1.0) used in calculating the effect of tortuosity on the 
+	porewater diffusion coefficient	Dp = Dw * por^n, 
+	true/false: correct Dw for ionic strength (false by default). 
+	
+  	-----------------
+	May 3, 2024
+  	-----------------
+	Database: Added new database phreeqc_rates.dat. The database augments
+	phreeqc.dat with rate parameters from Palandri and Kharaka (2004),
+	Sverdrup, Oelkers, Lampa, Belyazid, Kurz, and Akselsson (2019) (only 
+	Albite and quartz), and Hermanska, Voigt, Marieni, Declercq, 
+    and Oelkers (2023). Parameters are defined in data blocks
+	RATE_PARAMETERS_PK, RATE_PARAMETERS_SVD, and RATE_PARAMETERS_HERMANSKA.
+	All minerals with rate parameters have been added in a PHASES
+	data block. Example RATES definitions using the different RATE_PARAMETERS_
+	parameters are provided for Albite and Quartz. 
+
+  	-----------------
+	April 27, 2024
+  	-----------------
+	Databases: Added new keyword data block MEAN_GAMMAS. Each line 
+	of the data block defines how to calculate the mean activity
+	coefficient for a salt with a series of pairs of 
+	aqueous species and stoichiometric coefficient. Phreeqc.dat, 
+	Amm.dat, pitzer.dat, and phreeqc_rates.dat have this data block.
+	
+	MEAN_GAMMAS
+	MgCl2  Mg+2 1 Cl 2
+	
+	A new Basic function MEANG will calculate mean activity coefficients
+	for salts listed in the MEAN_GAMMAS data block.
+	
+	10 g_MgCl2 = MEANG("MgCl2")
+	
+	
+  	-----------------
+	April 27, 2024
+  	-----------------
+	PHREEQC: Added new keyword data blocks RATE_PARAMETERS_PK, RATE_PARAMETERS_SVD,
+	and RATE_PARAMETERS_HERMANSKA and Basic functions RATE_PK, RATE_SVD, and
+	RATE_HERMANSKA
+	
+	RATE_PARAMETERS_PK
+#               Acid                       Neutral           Base
+#               log K    E        n(H+)    log K    E        log K    E        n(OH-)
+#               ======== ======== ======== ======== ======== ======== ======== ========
+Quartz          -30      0        0        -13.4    90.9     -30      0        0        # Table 4
+#               Acid                       Neutral           P_CO2
+#               log K    E        n(H+)    log K    E        log K    E        n(P_CO2) Table
+#               ======== ======== ======== ======== ======== ======== ======== ======== ========
+calcite         -0.3     14.4     1        -5.81    23.5     -3.48    35.4     1        33       # specify Table number for P_CO2^n(P_CO2)
+#               Acid and Fe+3                       Neutral and O2             Base
+#               log K    E        n(H+)    n(Fe+3)  log K    E        n(O2)    log K    E        n(OH-)   Table
+#               ======== ======== ======== ======== ======== ======== ======== ======== ======== ======== ========
+pyrite          -7.52    56.9    -0.5      0.5      -4.55    56.9     0.5      -30      0        0        35       # specify Table number for Fe+3 and O2
+
+	Three rate equations from Palandri and Kharaka (2004) can be entered. Most minerals use
+	use the first form above with 8 parameters. Table 33 has a term for CO2 as in 
+	the calcite example above; parameters from table 33 are identified with a 33 in the 9th
+	field following 8 parameters. Table 35 has additional terms and data from this table
+	is identified with 35 in field 11 following 10 rate parameters. The rates for the 
+	the minerals listed in the data block can be calculated with the Basic function RATE_PK.
+	The calculated rate does not include factors for surface area or affinity.
+	
+	10 rate = RATE_PK("Calcite")
+	
+	RATE_PARAMETERS_SVD
+#        Table 4: E's                    Table 3: H+-reaction                H2O-reaction                        CO2-reaction    Organic_acids        OH--reaction                                Table 5
+#        H+     H2O    CO2    Org_acids OH-    pkH    nH     yAl    CAl    xBC    CBC    pkH2O  yAl    CAl    xBC    CBC    zSi    CSi    pkCO2  nCO2   pkOrg  nOrg   COrg  pkOH-  wOH-   yAl    CAl    xBC    CBC    zSi    CSi    #      Num    Mineral Formula
+#        ====== ====== ====== ========= ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ===== ====== ====== ====== ====== ====== ====== ====== ====== ====== ====== ======= ======
+Albite   3350    2500  1680   1200      3100   14.6   0.5    0.4    0.4    0.4    0.5    16.8   0.15   4      0.15   200    3      900    16.05  0.6    14.7   0.5    5     15.4   0.3    0.1    12     0.5    5      3      900    #      1.6    Albite  NaAlSi3O8
+
+	Rate parameters from Sverdrup, Oelkers, Lampa, Belyazid, Kurz, and Akselsson (2019)
+	can be specified with the RATE_PARAMETERS_SVD data block. A total of 31 parameters 
+	are entered for each mineral. The rates for minerals minerals listed in the data 
+	block can be calculated with the Basic function RATE_SVD. The calculated rate does 
+	not include factors for surface area or affinity.
+	
+	10 rate = RATE_SVD("Albite")
+	
+RATE_PARAMETERS_HERMANSKA
+#               Acid mechanism                       Neutral mechanism           Basic mechanism
+#               logk25   Aa       Eaa      n(H+)     logk25   Ab        Eab      logk25   Ac        Eac      n(OH)    #    Formula
+#               ======== ========= ======== ======== ======== ========= ======== ======== ========= ======== ======== =========================================
+# Amphiboles
+Anthophyllite   -12.4    5.70E-04  52       0.4      -13.7    5.00E-06  48       0        0         0        0
+
+	Rate parameters from Hermanska, Voigt, Marieni, Declercq, and Oelkers (2023) can 
+	be specified with the RATE_PARAMETERS_HERMANSKA data block. A total of 11 parameters 
+	are entered for each mineral. The rates for minerals listed in the data block can 
+	be calculated with the Basic function RATE_HERMANSKA. The calculated rate does not 
+	include factors for surface area or affinity.
+	
+	10 rate = RATE_HERMANSKA("Anthophyllite")
+
+
+  	-----------------
+	April 21, 2024
+  	-----------------
+	PHREEQC: Added Basic functions GET$ and PUT$. They are are the same as
+	GET and PUT, except the first argument for PUT$ is a character string, 
+	and GET$ returns a character string. You may use one or more indices as
+	needed to identify the value that is saved (PUT$) or retrieved (GET$).
+	
+	PUT$("MgCl2", 1, 1, 1)
+	x$ = GET$(1, 1, 1)
+
+  	-----------------
+	April 19, 2024
+  	-----------------
+	DATABASE: Kinec.v2.dat is a new llnl.dat style database from the 
+	CarbFix2 and GECO projects that is included in new distributions of 
+	PHREEQC. This database contains the parameters for calculating mineral 
+	dissolution rates for primary and secondary silicate minerals using the 
+	equations and parameters reported by Hermanska et al. (2022, 2023)  
+	and dissolution rates for other non-silicate mineral systems using the 
+	equations and parameters reported by Oelkers and Addassi (2024, in 
+	preparation).
+
+  	-----------------
+	April 15, 2024
+  	-----------------
+	PHREEQC: Fixed a memory error with iso.dat because it uses H3O+ instead of 
+	H+. The SC variable was uninitialized in that situation.
+	
+	DATABASES: Amm.dat, phreeqc.dat, and pitzer.dat were updated with 
+	revisions to viscosity and specific conductance.
+	
+	PhreeqcRM and IPhreeqc: Fixed bug with the temperature grid for llnl. Some 
+	internal testing and list generators used the default temperature of 25C, 
+	which caused an error if the temperature grid did not span 25C.
+	
+  	-----------------
+	March 25, 2024
+  	-----------------
+	DATABASES phreeqc.dat, Amm.dat, and pitzer.dat: The calculation of the 
+	specific conductance can now be done with a Debye-Hückel-Onsager equation 
+	that has both the electrophoretic and the relaxation term. (The standard 
+	phreeqc calculation uses a simple electrophoretic term only.) For 
+	individual ions, the equation can be multiplied with the viscosity ratio of 
+	the solvent and the solution, and the ion-size a in the Debye-Hückel term 
+	kappa_a can be made a function of the apparent molar volume of the ion. The 
+	options are described and used in the databases. The additions extend the 
+	applicability of the DHO equation to concentrations in the molar range, 
+	reducing AARD (average of the absolute relative deviations) for SC and 
+	transference numbers to less than 1% in many cases. For high KHCO3 
+	concentrations, the SCs indicate the presence of a KHCO3 complex that was 
+	added to phreeqc.dat and Amm.dat. The AARD's are 0.18 % for NaCl, 0.48 % 
+	for KCl, 0.51 % for MgCl2 and 0.89 % for CaCl2. More example files are 
+	available at http://hydrochemistry.eu.  
+	
+	PHREEQC Bug-fix: Option -density c[alculate] in SOLUTION_SPREAD was 
+	corrected to give the iterated density of the solutions. 
+	
+	PHREEQC: A new option has been added. The viscosity of the EDL 
+	layer on SURFACE(s) can now be calculated and will then be used to 
+	modify the diffusion coefficients. It is set by adding c(alculate) 
+	after viscosity, for example, "-donnan 1e-8 viscosity calc". 
+	
+	PHREEQC Bug-fix: Viscosity of the EDL layer on SURFACE(s), defined with, for 
+	example, "-donnan 1e-8 viscosity 3", was omitted in Version 3.4.2. It is 
+	now re-introduced in the calculations. 
+	
+	PHREEQC Bug-fix: Basic now returns the contributions to the specific conductance 
+	(t_sc("H+")) and the viscosity (f_visc("H+")) only when the species is present 
+	in the solution. In previous versions a dummy value was returned when the 
+	species was predefined, but absent in the actual solution calculation. 
+	
+	PHREEQC Bug-fix: Limits for fugacity coefficients were set to be 0.01 < phi < 85 in 
+	Peng-Robinson calculations. The limits were removed in version 3.7 (when calculating 
+	H2S(g) solubilities). However, without the limits, all water turned into H2O(g) in some 
+	cases and calculations failed. 
+	
   	-----------------
 	November 15, 2023
   	-----------------
@@ -27,7 +317,7 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
   	-----------------
 	June 1, 2023
   	-----------------	
-	Finalizing a Python version of PhreeqcRM that includes the BMI capabilities.
+	PhreeqcRM: Finalizing a Python version of PhreeqcRM that includes the BMI capabilities.
 	Methods are documented in Python style and two test cases are available, one
 	of which uses every Python method that is available. 
 
@@ -45,27 +335,26 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 	viscosity of the solution when parameters are defined for the species with -viscosity. 
 	Actually, it gives the contribution of the species to the B and D terms in the Jones-Dole 
 	eqution, assuming that the A term is small. The fractional contribution can be negative, for 
-	example f_visc("K+") is usually smaller than zero.
+	example f_visc("K+") is usually less than zero.
 	
-	Bug-fix: High T/P water phi became too small. Now limit how small phi of water can be
-	so that gas phase has reasonable H2O(g). 
-
 	Bug-fix: When -Vm parameters of SOLUTION_SPECIES were read after -viscosity parameters, the 
 	first viscosity parameter was set to 0.
 
-	Defined -analytical_expression and -gamma for Na2SO4, K2SO4 and MgSO4 and Mg(SO4)22- species in 
-	PHREEQC.dat, fitting the activities from pitzer.dat from 0 - 200 °C, and the solubilities of 
+	Defined -analytical_expression and -gamma for Na2SO4, K2SO4 and MgSO4 and Mg(SO4)2-2 species in 
+	phreeqc.dat and Amm.dat, fitting the activities from pitzer.dat from 0-200 °C, and the solubilities of 
 	mirabilite/thenardite (Na2SO4), arcanite (K2SO4), and epsomite, hexahydrite, kieserite (MgSO4 
-	and new species Mg(SO4)22-). The parameters for calculating the apparent volume (-Vm) and the 
+	and new species Mg(SO4)2-2). The parameters for calculating the apparent volume (-Vm) and the 
 	diffusion coefficients (-Dw) of the species were adapted using measured data of density and 
-	conductance (SC).
+	conductance (SC). Example files are available at http://hydrochemistry.eu
 
-	Removed the NaCO3- species in PHREEQC.dat since they are not necessary for the calculation of 
-	the specific conductance (SC) and their origin is unknown. Defined parameters in the 
-	-analytical_expression, -gamma, -dw, -Vm and -viscosity for the NaHCO3 species in PHREEQC.dat, 
-	using the data in Appelo, 2015, Appl. Geochem. 55, 62-71. (These data were used for defining 
-	interaction parameters in pitzer.dat.) The parameters for the apparent volume (-Vm), the 
-	diffusion coefficient (-Dw) and the viscosity of CO32- and HCO3- were adapted using measured 
+	Removed the NaCO3- species in PHREEQC.dat since it is not necessary for the calculation of 
+	the specific conductance (SC) and its origin is unknown. 
+	
+	Defined parameters in the -analytical_expression, -gamma, -dw, -Vm and -viscosity for 
+	the NaHCO3 species in phreeqc.dat and Amm.dat, using the data in Appelo, 2015, Appl. Geochem. 
+	55, 62-71. (These data were used for defining interaction parameters in 
+	pitzer.dat.) The parameters for the apparent volume (-Vm), the 	diffusion 
+	coefficient (-Dw) and the viscosity of CO3-2 and HCO3- were adapted using measured 	
 	data of density, conductance and viscosity of binary solutions.
 
 	The viscosity of the solution at P, T is now calculated and printed in the output file, and can 
@@ -79,14 +368,16 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 		
 	where eta is the viscosity of the solution (mPa s), eta0 is viscosity of pure water at the 
 	temperature and pressure of the solution, mi is the molality of species i, made dimensionless 
-	by dividing by 1 molal, and zi is the absolute charge number. A is derived from Debye-Hückel 
+	by dividing by 1 molal, and zi is the absolute charge number. A is derived from Debye-Hückel 
 	theory, and fan, B, D and n are coefficients that incorporate volume, ionic strength and 
-	temperature effects. The coefficients are:
+	temperature effects. 
+	
+	The coefficients are:
 
 		B = b0 + b1 exp(-b2 tC)
 		
-	where b0, b1, and b2 are coefficients, and tC is the temperature in ºC. The temperature is 
-	limited to 200°C.
+	where b0, b1, and b2 are coefficients, and tC is the temperature in °C. The temperature is 
+	limited to 200 °C.
 
 		fan = (2 - tan * Van / VCl-)
 		
@@ -99,7 +390,8 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 
 		n = ((1 + fI)^d3 + ((zi^2 + zi) / 2 * mi)^d3 / (2 + fI)
 		
-	where fI averages ionic strength effects and d3 is a parameter.
+	where fI averages ionic strength effects and d3 is a coefficient.
+	
 	The coefficients are fitted on measured viscosities of binary solutions and entered 
 	with item -viscosity under keyword SOLUTION_SPECIES, for example for H+:
 
@@ -111,8 +403,10 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 	When the solute concentrations are seawater-like or higher, the viscosity is different 
 	from pure water (see figure at). To obtain a valid model for natural waters with phreeqc.dat, 
 	the complexes of SO42- with the major cations were redefined, as noted above.
-	The A parameter in the Jones-Dole equation needs temperature dependent diffusion coefficients of the species, and therefore the parameters for calculating the I and T dependency of the diffusion coefficients (-dw parameters of SOLUTION_SPECIES) were refitted for SO42- and CO32- species.
-	Example files are in c:\phreeqc\viscosity. 	
+	The A parameter in the Jones-Dole equation needs temperature dependent diffusion coefficients 
+	of the species, and therefore the parameters for calculating the I and T dependency of the 
+	diffusion coefficients (-dw parameters of SOLUTION_SPECIES) were refitted for SO42- and CO32- 
+	species. Example files are available at http://hydrochemistry.eu.
 
 	Implicit calculations with option -fix_current will now account for changing concentrations in 
 	the boundary solutions of the column.
@@ -138,18 +432,19 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 	It will set Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc
 	and Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |zi| * I 0.5 / (1 + DH_B * I 0.5 * 1e-10 / (1 + I 0.75))),
 
-	where viscos_0_25 is the viscosity of pure water at 25 °C, viscos_0_tc is the viscosity of pure 
-	water at the temperature of the solution. DH_A and DH_B are Debye-Hückel parameters, 
+	where viscos_0_25 is the viscosity of pure water at 25 °C, viscos_0_tc is the viscosity of pure 
+	water at the temperature of the solution. DH_A and DH_B are Debye-Hückel parameters, 
 	retrievable with PHREEQC Basic.
 
 
 	The temperature correction is always applied in multicomponent, diffusive transport and for 
 	calculating the viscosity.
 
-	The ionic strength correction is for electromigration calculations (Appelo, 2017, CCR 101, 102). The correction is applied when the option is set true in TRANSPORT, item -multi_D:
+	The ionic strength correction is for electromigration calculations (Appelo, 2017, CCR 101, 102). 
+	The correction is applied when the option is set true in TRANSPORT, item -multi_D:
 		-multi_d true 1e-9 0.3 0.05 1.0 true # multicomponent diffusion
 		
-	# true/false, default tracer diffusion coefficient (Dw = 1e-9 m2/s) in water at 25 °C (used in 
+	# true/false, default tracer diffusion coefficient (Dw = 1e-9 m2/s) in water at 25 °C (used in 
 	case -dw is not defined for a species), porosity (por = 0.3), limiting porosity (0.05) below 
 	which diffusion stops, exponent n (1.0) used in calculating the porewater diffusion coefficient 
 	Dp = Dw * por^n, true/false: correct Dw for ionic strength (false by default). 
@@ -558,9 +853,9 @@ DELTA_H_SPECIES("CaHCO3+")          Delta H in KJ/mol. If an analytic expression
                                     Delta H is at reaction temperature, otherwise
                                     Delta H at 25C.
 
-DH_A0(Na+")                         Debye-Huckel species-specific ion size parameter.
+DH_A0(Na+")                         Debye-Hückel species-specific ion size parameter.
 
-DH_BDOT("Na+")                      Debye-Huckel species-specific ionic strength coefficient.
+DH_BDOT("Na+")                      Debye-Hückel species-specific ionic strength coefficient.
 
 EOL_NOTAB$                          Omits the tab that is normally printed after EOL$.
 
@@ -588,8 +883,8 @@ type$ , moles, 1)                   0 sorted by 5th argument, 1, sorted by 3rd a
 	March 10, 2021
 	-------------
 	PHREEQC: New Basic functions return (1) delta H of species,
-	(2) delta H of a phase, (3) Debye Huckel a0 (species-specific
-	ion size), and (4) Debye Huckel bdot (species-specific ion
+	(2) delta H of a phase, (3) Debye Hückel a0 (species-specific
+	ion size), and (4) Debye Hückel bdot (species-specific ion
 	strength coefficient).
 
 DELTA_H_PHASE("Calcite")    		Delta H in KJ/mol. If an analytic expression exists,
@@ -600,9 +895,9 @@ DELTA_H_SPECIES("CaHCO3+")			Delta H in KJ/mol. If an analytic expression exists
 									Delta H is at reaction temperature, otherwise
 									Delta H at 25C.
 
-DH_A0(Na+")         				Debye-Huckel species-specific ion size parameter. 
+DH_A0(Na+")         				Debye-Hückel species-specific ion size parameter. 
 
-DH_BDOT("Na+")  					Debye-Huckel species-specific ionic strength coefficient.
+DH_BDOT("Na+")  					Debye-Hückel species-specific ionic strength coefficient.
 
   	-------------
 	March 10, 2021
@@ -622,8 +917,8 @@ DH_BDOT("Na+")  					Debye-Huckel species-specific ionic strength coefficient.
 	Busenberg (1982) used in pitzer.dat.
 
 	Modified the -analytical_expression for dolomite in 
-	phreeqc.dat and pitzer.dat, using data at 25°C from Hemingway 
-	and Robie (1994) and 50-175°C from Bénézeth et al. (2018), GCA 
+	phreeqc.dat and pitzer.dat, using data at 25 °C from Hemingway 
+	and Robie (1994) and 50-175 °C from Bénézeth et al. (2018), GCA 
 	224, 262-275. 
 
   	-------------
@@ -941,11 +1236,11 @@ Version 3.6.1: January 7, 2020
 	solution 0: MIX 0; 6 0. 
 
 	-- Thermal diffusion with the stagnant cells will be calculated when 
-	temperatures differ by more than 0.1 oC. Multicomponent diffusion 
+	temperatures differ by more than 0.1 °C. Multicomponent diffusion 
 	coefficients decrease with the viscosity of the solution, markedly 
 	affecting the results. File ex12b.phr in c:\phreeqc\exmpls compares 
 	traditional and multicomponent diffusive transport of heat and solutes 
-	with temperatures changing from 0 to 25 oC.
+	with temperatures changing from 0 to 25 °C.
 
 	TRANSPORT
 	-implicit false/true 1 -30
@@ -1485,7 +1780,7 @@ Version 3.6.1: January 7, 2020
 	Eliminated prints  of Total Carbon and Total CO2 in 
 	"Description of solution" when values are zero.
 	
-	Pring and punch of cells in transport calculations with 
+	Print and punch of cells in transport calculations with 
 	stagnant zones follows the order of the cell numbers.
 	
 	Enabled multicomponent diffusion among boundary and stagnant 
@@ -1569,7 +1864,7 @@ Version 3.4.0: November 9, 2017 (svn 12927)
 		
 	where the first number is the diffusion coeficient at 25 C, and the second number is a damping
 	factor for the temperature correction, as proposed by Smolyakov, according to Anderko and Lencka,
-	1997, Ind. Chem. Eng. Res. 36, 1932–1943:
+	1997, Ind. Chem. Eng. Res. 36, 1932-1943:
 	
 	Dw(TK) = 9.31e-9 * exp(763 / TK - 763 / 298.15) * TK * 0.89 / (298.15 * viscos).
 	
@@ -1817,7 +2112,7 @@ Version 3.3.8: September 13, 2016 (svn 11728)
 	
 	This function identifies all of the kinetic reactants in the current KINETICS definition
 	and returns the sum of moles of all kinetic reactants. Count is number of kinetic
-	reactants. Name$ contains the kinetic reactant names. Type$ is “kin”. Moles contains the
+	reactants. Name$ contains the kinetic reactant names. Type$ is "kin". Moles contains the
 	moles of each kinetic reactant. The chemical formula used in the kinetic reaction can be
 	determined by using a reaction name from Name$ as the first argument of the
 	KINETICS_FORMULA$ Basic function.
@@ -3028,11 +3323,11 @@ Version 3.0.0: February 1, 2013
 	reactions, the nonideal gas formulation of Peng and
 	Robinson, and charting. All features of PHREEQC
 	Version 3 are documented in U.S. Geological Survey
-	Techniques and Methods 6-A43, “Description of input
+	Techniques and Methods 6-A43, "Description of input
 	and examples for PHREEQC Version 3--A computer
 	program for speciation, batch-reaction, one-
 	dimensional transport, and inverse geochemical
-	calculations”, available at
+	calculations", available at
 	http://pubs.usgs.gov/tm/06/a43/. Features not
 	previously documented include Pitzer and SIT aqueous
 	models, CD-MUSIC surface complexation, isotopic
@@ -3957,9 +4252,9 @@ Version 2.17.0: February 25, 2010
         Changed the calculation of Specific Conductance (SC, uS/cm)
         to be for the actual temperature of the SOLUTION (in output
         and in BASIC function SC).
-        Previous versions calculated SC for 25 oC, whereas the
+        Previous versions calculated SC for 25 °C, whereas the
         complexation model is done at the actual temperature.
-        To obtain SC at 25 oC, use keyword REACTION_TEMPERATURE,
+        To obtain SC at 25 °C, use keyword REACTION_TEMPERATURE,
         for example:
         
            SOLUTION 1; K 1; Cl 1; -temp 99
@@ -4059,12 +4354,12 @@ Version 2.17.0: February 25, 2010
         log(K) of an exchange-half reaction depends on the equivalent
         fraction on the exchanger:
 
-                log(K) = log_k + a_f * (1 - ß_i)
+                log(K) = log_k + a_f * (1 - x_i)
 
         where log_k is the log of the equilibrium constant when all the 
                         sites are occupied by ion i,
                 a_f is an empirical coefficient, and
-                ß_i is the equivalent fraction of i.
+                x_i is the equivalent fraction of i.
 
         a_f can be defined in EXCHANGE_SPECIES with -gamma after the WATEQ
         Debye-Hueckel parameters.
@@ -4075,7 +4370,7 @@ Version 2.17.0: February 25, 2010
                  -gamma 4.0 0.075 0.50
 
         The association constant for NaX becomes:
-                  log(K) = -0.5 + 0.50 * (1 - ß_Na)
+                  log(K) = -0.5 + 0.50 * (1 - x_Na)
                   
         --------
         svn 3453
@@ -4163,7 +4458,7 @@ Version 2.17.0: February 25, 2010
         phi(i) = phi(i,inf) + s(t)I^0.5 + beta(i)I
         
         where phi(i,inf) is the apparent molar volume of species i at 
-        infinite dilution, s(t) is the Debije-Huckel limiting slope, beta(i)
+        infinite dilution, s(t) is the Debije-Hückel limiting slope, beta(i)
         is an empirical constant, and I is the ionic strength.
         
         s(t) is calculated as a function of temperature. Parameterizations of
@@ -5262,7 +5557,7 @@ LLNL_AQUEOUS_MODEL_PARAMETERS--New keyword data block
         Added new keyword to make aqueous model similar to
         EQ3/6 and Geochemists Workbench when using
         llnl.dat as the database file. Values
-        of Debye-Huckel a and b and bdot (ionic strength
+        of Debye-Hückel a and b and bdot (ionic strength
         coefficient) are read at fixed temperatures.
         Linear interpolation occurs between temperatures.
 
@@ -6783,7 +7078,7 @@ Version 2.3: Date: Tue January 2, 2001
         Added new keyword to make aqueous model similar to
                 LLNL and Geochemists Workbench when using
                 llnl.dat as the database file. Values
-                of Debye-Huckel a and b and bdot (ionic strength
+                of Debye-Hückel a and b and bdot (ionic strength
                 coefficient) are read at fixed temperatures.
                 Linear interpolation occurs between temperatures.
 
diff --git a/phreeqc3-examples/ex1.out b/phreeqc3-examples/ex1.out
index be4a317d..1e5dee3b 100644
--- a/phreeqc3-examples/ex1.out
+++ b/phreeqc3-examples/ex1.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -111,7 +112,7 @@ Initial solution 1.	SEAWATER FROM NORDSTROM AND OTHERS (1979)
 	N(-3)             1.724e-06   1.724e-06
 	N(5)              4.847e-06   4.847e-06
 	Na                4.854e-01   4.854e-01
-	O(0)              4.377e-04   4.377e-04  Equilibrium with O2(g)
+	O(0)              4.381e-04   4.381e-04  Equilibrium with O2(g)
 	S(6)              2.926e-02   2.926e-02
 	Si                7.382e-05   7.382e-05
 	U                 1.437e-08   1.437e-08
@@ -120,15 +121,15 @@ Initial solution 1.	SEAWATER FROM NORDSTROM AND OTHERS (1979)
 
                                        pH  =   8.220    
                                        pe  =   8.451    
-      Specific Conductance (µS/cm,  25°C)  = 52731
-                          Density (g/cm³)  =   1.02327
-                               Volume (L)  =   1.01279
-                        Viscosity (mPa s)  =   0.95702
+      Specific Conductance (µS/cm,  25°C)  = 52856
+                          Density (g/cm³)  =   1.02328
+                               Volume (L)  =   1.01278
+                        Viscosity (mPa s)  =   0.96029
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   6.741e-01
+                 Ionic strength (mol/kgw)  =   6.704e-01
                        Mass of water (kg)  =   1.000e+00
-                    Total carbon (mol/kg)  =   2.239e-03
-                       Total CO2 (mol/kg)  =   2.239e-03
+                    Total carbon (mol/kg)  =   2.238e-03
+                       Total CO2 (mol/kg)  =   2.238e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   7.936e-04
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.07
@@ -140,7 +141,7 @@ Initial solution 1.	SEAWATER FROM NORDSTROM AND OTHERS (1979)
 
 	Redox couple             pe  Eh (volts)
 
-	N(-3)/N(5)           4.6754      0.2766
+	N(-3)/N(5)           4.6747      0.2765
 	O(-2)/O(0)          12.4061      0.7339
 
 ----------------------------Distribution of species----------------------------
@@ -148,182 +149,184 @@ Initial solution 1.	SEAWATER FROM NORDSTROM AND OTHERS (1979)
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             2.705e-06   1.647e-06    -5.568    -5.783    -0.215     -2.63
-   H+              7.983e-09   6.026e-09    -8.098    -8.220    -0.122      0.00
-   H2O             5.551e+01   9.806e-01     1.744    -0.009     0.000     18.07
-C(4)          2.239e-03
-   HCO3-           1.572e-03   1.062e-03    -2.804    -2.974    -0.170     26.61
-   MgHCO3+         2.743e-04   1.725e-04    -3.562    -3.763    -0.201      5.82
-   NaHCO3          1.700e-04   2.429e-04    -3.770    -3.615     0.155     28.00
-   MgCO3           9.375e-05   1.095e-04    -4.028    -3.961     0.067    -17.09
-   CaHCO3+         4.751e-05   3.287e-05    -4.323    -4.483    -0.160      9.96
-   CO3-2           3.972e-05   8.263e-06    -4.401    -5.083    -0.682     -0.40
-   CaCO3           2.884e-05   3.369e-05    -4.540    -4.473     0.067    -14.60
-   CO2             1.324e-05   1.467e-05    -4.878    -4.834     0.044     34.43
-   UO2(CO3)3-4     1.262e-08   1.180e-10    -7.899    -9.928    -2.029     (0)  
-   UO2(CO3)2-2     1.746e-09   5.430e-10    -8.758    -9.265    -0.507     (0)  
-   MnCO3           2.699e-10   3.153e-10    -9.569    -9.501     0.067     (0)  
-   MnHCO3+         6.852e-11   4.545e-11   -10.164   -10.342    -0.178     (0)  
-   UO2CO3          6.874e-12   8.028e-12   -11.163   -11.095     0.067     (0)  
-   (CO2)2          3.382e-12   3.949e-12   -11.471   -11.403     0.067     68.87
-   FeCO3           1.902e-20   2.222e-20   -19.721   -19.653     0.067     (0)  
-   FeHCO3+         1.593e-20   1.190e-20   -19.798   -19.924    -0.127     (0)  
+   OH-             2.703e-06   1.647e-06    -5.568    -5.783    -0.215     -2.63
+   H+              7.981e-09   6.026e-09    -8.098    -8.220    -0.122      0.00
+   H2O             5.551e+01   9.806e-01     1.744    -0.008     0.000     18.07
+C(4)          2.238e-03
+   HCO3-           1.541e-03   1.041e-03    -2.812    -2.983    -0.170     25.99
+   MgHCO3+         2.782e-04   1.751e-04    -3.556    -3.757    -0.201      5.82
+   NaHCO3          2.252e-04   3.066e-04    -3.647    -3.513     0.134     31.73
+   MgCO3           9.523e-05   1.111e-04    -4.021    -3.954     0.067    -17.09
+   CO3-2           3.888e-05   8.103e-06    -4.410    -5.091    -0.681     -0.52
+   CaCO3           2.908e-05   3.393e-05    -4.536    -4.469     0.067    -14.60
+   CaHCO3+         1.446e-05   1.001e-05    -4.840    -5.000    -0.160    122.92
+   CO2             1.299e-05   1.438e-05    -4.886    -4.842     0.044     34.43
+   KHCO3           2.969e-06   3.013e-06    -5.527    -5.521     0.006     41.03
+   UO2(CO3)3-4     1.259e-08   1.169e-10    -7.900    -9.932    -2.032     (0)  
+   UO2(CO3)2-2     1.767e-09   5.484e-10    -8.753    -9.261    -0.508     (0)  
+   MnCO3           2.690e-10   3.139e-10    -9.570    -9.503     0.067     (0)  
+   MnHCO3+         6.820e-11   4.526e-11   -10.166   -10.344    -0.178     (0)  
+   UO2CO3          7.086e-12   8.269e-12   -11.150   -11.083     0.067     (0)  
+   (CO2)2          3.254e-12   3.797e-12   -11.488   -11.421     0.067     68.87
+   FeCO3           1.866e-20   2.177e-20   -19.729   -19.662     0.067     (0)  
+   FeHCO3+         1.562e-20   1.166e-20   -19.806   -19.933    -0.127     (0)  
 Ca            1.066e-02
-   Ca+2            9.706e-03   2.427e-03    -2.013    -2.615    -0.602    -16.70
-   CaSO4           8.788e-04   1.026e-03    -3.056    -2.989     0.067      7.50
-   CaHCO3+         4.751e-05   3.287e-05    -4.323    -4.483    -0.160      9.96
-   CaCO3           2.884e-05   3.369e-05    -4.540    -4.473     0.067    -14.60
-   CaOH+           8.777e-08   6.554e-08    -7.057    -7.183    -0.127     (0)  
-   CaHSO4+         5.444e-11   4.065e-11   -10.264   -10.391    -0.127     (0)  
+   Ca+2            9.964e-03   2.493e-03    -2.002    -2.603    -0.602    -16.70
+   CaSO4           6.537e-04   7.628e-04    -3.185    -3.118     0.067      7.50
+   CaCO3           2.908e-05   3.393e-05    -4.536    -4.469     0.067    -14.60
+   CaHCO3+         1.446e-05   1.001e-05    -4.840    -5.000    -0.160    122.92
+   CaOH+           9.020e-08   6.732e-08    -7.045    -7.172    -0.127     (0)  
+   CaHSO4+         4.048e-11   3.021e-11   -10.393   -10.520    -0.127     (0)  
 Cl            5.657e-01
-   Cl-             5.657e-01   3.568e-01    -0.247    -0.448    -0.200     18.79
-   MnCl+           1.053e-09   6.982e-10    -8.978    -9.156    -0.178     -2.79
-   HCl             3.826e-10   7.407e-10    -9.417    -9.130     0.287     (0)  
-   MnCl2           9.313e-11   1.088e-10   -10.031    -9.964     0.067     85.89
-   MnCl3-          1.612e-11   1.069e-11   -10.793   -10.971    -0.178     45.79
-   FeCl+2          1.518e-18   2.939e-19   -17.819   -18.532    -0.713     (0)  
-   FeCl2+          7.062e-19   4.684e-19   -18.151   -18.329    -0.178     (0)  
-   FeCl+           7.393e-20   5.521e-20   -19.131   -19.258    -0.127     (0)  
-   FeCl3           1.431e-20   1.671e-20   -19.844   -19.777     0.067     (0)  
-Fe(2)         6.471e-19
-   Fe+2            4.889e-19   1.121e-19   -18.311   -18.950    -0.640    -20.71
-   FeCl+           7.393e-20   5.521e-20   -19.131   -19.258    -0.127     (0)  
-   FeSO4           4.059e-20   4.740e-20   -19.392   -19.324     0.067     18.97
-   FeCO3           1.902e-20   2.222e-20   -19.721   -19.653     0.067     (0)  
-   FeHCO3+         1.593e-20   1.190e-20   -19.798   -19.924    -0.127     (0)  
-   FeOH+           8.696e-21   5.768e-21   -20.061   -20.239    -0.178     (0)  
-   Fe(OH)2         6.840e-24   7.989e-24   -23.165   -23.098     0.067     (0)  
-   Fe(OH)3-        7.282e-26   4.830e-26   -25.138   -25.316    -0.178     (0)  
-   FeHSO4+         2.514e-27   1.877e-27   -26.600   -26.726    -0.127     (0)  
+   Cl-             5.657e-01   3.570e-01    -0.247    -0.447    -0.200     18.79
+   MnCl+           1.069e-09   7.094e-10    -8.971    -9.149    -0.178     -2.79
+   HCl             3.842e-10   7.411e-10    -9.415    -9.130     0.285     (0)  
+   MnCl2           9.474e-11   1.106e-10   -10.023    -9.956     0.067     85.89
+   MnCl3-          1.638e-11   1.087e-11   -10.786   -10.964    -0.178     45.78
+   FeCl+2          1.515e-18   2.938e-19   -17.820   -18.532    -0.712     (0)  
+   FeCl2+          7.061e-19   4.686e-19   -18.151   -18.329    -0.178     (0)  
+   FeCl+           7.395e-20   5.520e-20   -19.131   -19.258    -0.127     (0)  
+   FeCl3           1.434e-20   1.673e-20   -19.844   -19.777     0.067     (0)  
+Fe(2)         6.342e-19
+   Fe+2            4.879e-19   1.120e-19   -18.312   -18.951    -0.639    -20.72
+   FeCl+           7.395e-20   5.520e-20   -19.131   -19.258    -0.127     (0)  
+   FeSO4           2.937e-20   3.428e-20   -19.532   -19.465     0.067     18.97
+   FeCO3           1.866e-20   2.177e-20   -19.729   -19.662     0.067     (0)  
+   FeHCO3+         1.562e-20   1.166e-20   -19.806   -19.933    -0.127     (0)  
+   FeOH+           8.686e-21   5.764e-21   -20.061   -20.239    -0.178     (0)  
+   Fe(OH)2         6.842e-24   7.984e-24   -23.165   -23.098     0.067     (0)  
+   Fe(OH)3-        7.275e-26   4.828e-26   -25.138   -25.316    -0.178     (0)  
+   FeHSO4+         1.819e-27   1.358e-27   -26.740   -26.867    -0.127     (0)  
 Fe(3)         3.711e-08
-   Fe(OH)3         2.771e-08   3.237e-08    -7.557    -7.490     0.067     (0)  
-   Fe(OH)4-        7.113e-09   4.804e-09    -8.148    -8.318    -0.170     (0)  
-   Fe(OH)2+        2.286e-09   1.544e-09    -8.641    -8.811    -0.170     (0)  
-   FeOH+2          1.480e-13   2.865e-14   -12.830   -13.543    -0.713     (0)  
-   FeCl+2          1.518e-18   2.939e-19   -17.819   -18.532    -0.713     (0)  
-   FeSO4+          1.072e-18   7.111e-19   -17.970   -18.148    -0.178     (0)  
-   FeCl2+          7.062e-19   4.684e-19   -18.151   -18.329    -0.178     (0)  
-   Fe+3            3.430e-19   2.727e-20   -18.465   -19.564    -1.100     (0)  
-   Fe(SO4)2-       4.955e-20   3.700e-20   -19.305   -19.432    -0.127     (0)  
-   FeCl3           1.431e-20   1.671e-20   -19.844   -19.777     0.067     (0)  
-   Fe2(OH)2+4      2.362e-24   2.210e-26   -23.627   -25.656    -2.029     (0)  
-   FeHSO4+2        3.689e-26   1.147e-26   -25.433   -25.940    -0.507     (0)  
-   Fe3(OH)4+5      1.055e-29   7.127e-33   -28.977   -32.147    -3.170     (0)  
+   Fe(OH)3         2.772e-08   3.235e-08    -7.557    -7.490     0.067     (0)  
+   Fe(OH)4-        7.107e-09   4.802e-09    -8.148    -8.319    -0.170     (0)  
+   Fe(OH)2+        2.284e-09   1.543e-09    -8.641    -8.812    -0.170     (0)  
+   FeOH+2          1.477e-13   2.863e-14   -12.831   -13.543    -0.712     (0)  
+   FeCl+2          1.515e-18   2.938e-19   -17.820   -18.532    -0.712     (0)  
+   FeSO4+          7.749e-19   5.142e-19   -18.111   -18.289    -0.178     (0)  
+   FeCl2+          7.061e-19   4.686e-19   -18.151   -18.329    -0.178     (0)  
+   Fe+3            3.421e-19   2.725e-20   -18.466   -19.565    -1.099     (0)  
+   Fe(SO4)2-       2.594e-20   1.936e-20   -19.586   -19.713    -0.127     (0)  
+   FeCl3           1.434e-20   1.673e-20   -19.844   -19.777     0.067     (0)  
+   Fe2(OH)2+4      2.378e-24   2.207e-26   -23.624   -25.656    -2.032     (0)  
+   FeHSO4+2        2.673e-26   8.297e-27   -25.573   -26.081    -0.508     (0)  
+   Fe3(OH)4+5      1.066e-29   7.114e-33   -28.972   -32.148    -3.176     (0)  
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -44.470   -44.402     0.067     28.61
+   H2              0.000e+00   0.000e+00   -44.469   -44.402     0.067     28.61
 K             1.058e-02
-   K+              1.043e-02   6.501e-03    -1.982    -2.187    -0.205      9.66
-   KSO4-           1.471e-04   5.683e-05    -3.832    -4.245    -0.413     32.21
+   K+              1.039e-02   6.478e-03    -1.983    -2.189    -0.205      9.66
+   KSO4-           1.873e-04   1.696e-04    -3.728    -3.770    -0.043     11.34
+   KHCO3           2.969e-06   3.013e-06    -5.527    -5.521     0.006     41.03
 Mg            5.507e-02
-   Mg+2            4.811e-02   1.389e-02    -1.318    -1.857    -0.540    -20.41
-   MgSO4           6.339e-03   8.646e-03    -2.198    -2.063     0.135     -0.83
-   MgHCO3+         2.743e-04   1.725e-04    -3.562    -3.763    -0.201      5.82
-   Mg(SO4)2-2      2.394e-04   6.773e-05    -3.621    -4.169    -0.548     48.54
-   MgCO3           9.375e-05   1.095e-04    -4.028    -3.961     0.067    -17.09
-   MgOH+           1.164e-05   8.204e-06    -4.934    -5.086    -0.152     (0)  
+   Mg+2            4.979e-02   1.437e-02    -1.303    -1.842    -0.540    -20.42
+   MgSO4           4.756e-03   6.476e-03    -2.323    -2.189     0.134     -7.92
+   MgHCO3+         2.782e-04   1.751e-04    -3.556    -3.757    -0.201      5.82
+   Mg(SO4)2-2      1.296e-04   3.671e-05    -3.887    -4.435    -0.548     32.91
+   MgCO3           9.523e-05   1.111e-04    -4.021    -3.954     0.067    -17.09
+   MgOH+           1.205e-05   8.493e-06    -4.919    -5.071    -0.152     (0)  
 Mn(2)         3.773e-09
-   Mn+2            2.095e-09   4.803e-10    -8.679    -9.318    -0.640    -16.36
-   MnCl+           1.053e-09   6.982e-10    -8.978    -9.156    -0.178     -2.79
-   MnCO3           2.699e-10   3.153e-10    -9.569    -9.501     0.067     (0)  
-   MnSO4           1.739e-10   2.031e-10    -9.760    -9.692     0.067     22.54
-   MnCl2           9.313e-11   1.088e-10   -10.031    -9.964     0.067     85.89
-   MnHCO3+         6.852e-11   4.545e-11   -10.164   -10.342    -0.178     (0)  
-   MnCl3-          1.612e-11   1.069e-11   -10.793   -10.971    -0.178     45.79
-   MnOH+           3.029e-12   2.009e-12   -11.519   -11.697    -0.178     (0)  
-   Mn(OH)3-        4.946e-20   3.281e-20   -19.306   -19.484    -0.178     (0)  
-   Mn(NO3)2        1.325e-20   1.548e-20   -19.878   -19.810     0.067     41.04
-Mn(3)         5.274e-26
-   Mn+3            5.274e-26   4.193e-27   -25.278   -26.377    -1.100     (0)  
+   Mn+2            2.125e-09   4.877e-10    -8.673    -9.312    -0.639    -16.37
+   MnCl+           1.069e-09   7.094e-10    -8.971    -9.149    -0.178     -2.79
+   MnCO3           2.690e-10   3.139e-10    -9.570    -9.503     0.067     (0)  
+   MnSO4           1.279e-10   1.493e-10    -9.893    -9.826     0.067     22.54
+   MnCl2           9.474e-11   1.106e-10   -10.023    -9.956     0.067     85.89
+   MnHCO3+         6.820e-11   4.526e-11   -10.166   -10.344    -0.178     (0)  
+   MnCl3-          1.638e-11   1.087e-11   -10.786   -10.964    -0.178     45.78
+   MnOH+           3.075e-12   2.040e-12   -11.512   -11.690    -0.178     (0)  
+   Mn(OH)3-        5.021e-20   3.332e-20   -19.299   -19.477    -0.178     (0)  
+   Mn(NO3)2        1.349e-20   1.574e-20   -19.870   -19.803     0.067     41.04
+Mn(3)         5.345e-26
+   Mn+3            5.345e-26   4.258e-27   -25.272   -26.371    -1.099     (0)  
 N(-3)         1.724e-06
-   NH4+            1.597e-06   8.981e-07    -5.797    -6.047    -0.250     18.44
-   NH3             7.272e-08   8.494e-08    -7.138    -7.071     0.067     24.42
-   NH4SO4-         5.343e-08   2.752e-08    -7.272    -7.560    -0.288     40.39
+   NH4+            1.618e-06   9.103e-07    -5.791    -6.041    -0.250     18.48
+   NH3             7.378e-08   8.610e-08    -7.132    -7.065     0.067     24.42
+   NH4SO4-         3.206e-08   2.000e-08    -7.494    -7.699    -0.205     18.66
 N(5)          4.847e-06
-   NO3-            4.847e-06   2.845e-06    -5.314    -5.546    -0.231     30.29
-   Mn(NO3)2        1.325e-20   1.548e-20   -19.878   -19.810     0.067     41.04
+   NO3-            4.847e-06   2.847e-06    -5.314    -5.546    -0.231     30.29
+   Mn(NO3)2        1.349e-20   1.574e-20   -19.870   -19.803     0.067     41.04
 Na            4.854e-01
-   Na+             4.769e-01   3.422e-01    -0.322    -0.466    -0.144     -0.50
-   NaSO4-          8.339e-03   3.180e-03    -2.079    -2.498    -0.419     20.67
-   NaHCO3          1.700e-04   2.429e-04    -3.770    -3.615     0.155     28.00
-   NaOH            4.827e-17   5.637e-17   -16.316   -16.249     0.067     (0)  
-O(0)          4.377e-04
-   O2              2.189e-04   2.556e-04    -3.660    -3.592     0.067     30.40
+   Na+             4.712e-01   3.381e-01    -0.327    -0.471    -0.144     -0.51
+   NaSO4-          1.396e-02   9.473e-03    -1.855    -2.024    -0.168      8.22
+   NaHCO3          2.252e-04   3.066e-04    -3.647    -3.513     0.134     31.73
+   NaOH            4.773e-17   5.570e-17   -16.321   -16.254     0.067     (0)  
+O(0)          4.381e-04
+   O2              2.190e-04   2.556e-04    -3.659    -3.592     0.067     30.40
 S(6)          2.926e-02
-   SO4-2           1.307e-02   2.378e-03    -1.884    -2.624    -0.740     17.77
-   NaSO4-          8.339e-03   3.180e-03    -2.079    -2.498    -0.419     20.67
-   MgSO4           6.339e-03   8.646e-03    -2.198    -2.063     0.135     -0.83
-   CaSO4           8.788e-04   1.026e-03    -3.056    -2.989     0.067      7.50
-   Mg(SO4)2-2      2.394e-04   6.773e-05    -3.621    -4.169    -0.548     48.54
-   KSO4-           1.471e-04   5.683e-05    -3.832    -4.245    -0.413     32.21
-   NH4SO4-         5.343e-08   2.752e-08    -7.272    -7.560    -0.288     40.39
-   HSO4-           1.866e-09   1.393e-09    -8.729    -8.856    -0.127     40.96
-   MnSO4           1.739e-10   2.031e-10    -9.760    -9.692     0.067     22.54
-   CaHSO4+         5.444e-11   4.065e-11   -10.264   -10.391    -0.127     (0)  
-   FeSO4+          1.072e-18   7.111e-19   -17.970   -18.148    -0.178     (0)  
-   Fe(SO4)2-       4.955e-20   3.700e-20   -19.305   -19.432    -0.127     (0)  
-   FeSO4           4.059e-20   4.740e-20   -19.392   -19.324     0.067     18.97
-   FeHSO4+2        3.689e-26   1.147e-26   -25.433   -25.940    -0.507     (0)  
-   FeHSO4+         2.514e-27   1.877e-27   -26.600   -26.726    -0.127     (0)  
+   NaSO4-          1.396e-02   9.473e-03    -1.855    -2.024    -0.168      8.22
+   SO4-2           9.440e-03   1.721e-03    -2.025    -2.764    -0.739     38.42
+   MgSO4           4.756e-03   6.476e-03    -2.323    -2.189     0.134     -7.92
+   CaSO4           6.537e-04   7.628e-04    -3.185    -3.118     0.067      7.50
+   KSO4-           1.873e-04   1.696e-04    -3.728    -3.770    -0.043     11.34
+   Mg(SO4)2-2      1.296e-04   3.671e-05    -3.887    -4.435    -0.548     32.91
+   NH4SO4-         3.206e-08   2.000e-08    -7.494    -7.699    -0.205     18.66
+   HSO4-           1.351e-09   1.008e-09    -8.869    -8.996    -0.127     40.96
+   MnSO4           1.279e-10   1.493e-10    -9.893    -9.826     0.067     22.54
+   CaHSO4+         4.048e-11   3.021e-11   -10.393   -10.520    -0.127     (0)  
+   FeSO4+          7.749e-19   5.142e-19   -18.111   -18.289    -0.178     (0)  
+   FeSO4           2.937e-20   3.428e-20   -19.532   -19.465     0.067     18.97
+   Fe(SO4)2-       2.594e-20   1.936e-20   -19.586   -19.713    -0.127     (0)  
+   FeHSO4+2        2.673e-26   8.297e-27   -25.573   -26.081    -0.508     (0)  
+   FeHSO4+         1.819e-27   1.358e-27   -26.740   -26.867    -0.127     (0)  
 Si            7.382e-05
-   H4SiO4          7.061e-05   8.247e-05    -4.151    -4.084     0.067     52.08
-   H3SiO4-         3.209e-06   2.018e-06    -5.494    -5.695    -0.201     28.72
-   H2SiO4-2        1.095e-10   2.278e-11    -9.961   -10.642    -0.682     (0)  
-U(4)          9.204e-22
-   U(OH)5-         9.202e-22   6.872e-22   -21.036   -21.163    -0.127     (0)  
-   U(OH)4          1.470e-25   1.716e-25   -24.833   -24.765     0.067     (0)  
-   U+4             0.000e+00   0.000e+00   -47.044   -49.073    -2.029     (0)  
-U(5)          1.445e-18
-   UO2+            1.445e-18   1.079e-18   -17.840   -17.967    -0.127     (0)  
+   H4SiO4          7.062e-05   8.241e-05    -4.151    -4.084     0.067     52.08
+   H3SiO4-         3.205e-06   2.017e-06    -5.494    -5.695    -0.201     28.72
+   H2SiO4-2        1.092e-10   2.276e-11    -9.962   -10.643    -0.681     (0)  
+U(4)          9.706e-22
+   U(OH)5-         9.704e-22   7.243e-22   -21.013   -21.140    -0.127     (0)  
+   U(OH)4          1.550e-25   1.809e-25   -24.810   -24.743     0.067     (0)  
+   U+4             0.000e+00   0.000e+00   -47.018   -49.051    -2.032     (0)  
+U(5)          1.521e-18
+   UO2+            1.521e-18   1.135e-18   -17.818   -17.945    -0.127     (0)  
 U(6)          1.437e-08
-   UO2(CO3)3-4     1.262e-08   1.180e-10    -7.899    -9.928    -2.029     (0)  
-   UO2(CO3)2-2     1.746e-09   5.430e-10    -8.758    -9.265    -0.507     (0)  
-   UO2CO3          6.874e-12   8.028e-12   -11.163   -11.095     0.067     (0)  
-   UO2OH+          3.018e-14   2.254e-14   -13.520   -13.647    -0.127     (0)  
-   UO2+2           2.696e-16   8.384e-17   -15.569   -16.077    -0.507     (0)  
-   (UO2)2(OH)2+2   1.416e-21   4.405e-22   -20.849   -21.356    -0.507     (0)  
-   (UO2)3(OH)5+    2.059e-23   1.538e-23   -22.686   -22.813    -0.127     (0)  
+   UO2(CO3)3-4     1.259e-08   1.169e-10    -7.900    -9.932    -2.032     (0)  
+   UO2(CO3)2-2     1.767e-09   5.484e-10    -8.753    -9.261    -0.508     (0)  
+   UO2CO3          7.086e-12   8.269e-12   -11.150   -11.083     0.067     (0)  
+   UO2OH+          3.172e-14   2.368e-14   -13.499   -13.626    -0.127     (0)  
+   UO2+2           2.837e-16   8.807e-17   -15.547   -16.055    -0.508     (0)  
+   (UO2)2(OH)2+2   1.566e-21   4.860e-22   -20.805   -21.313    -0.508     (0)  
+   (UO2)3(OH)5+    2.388e-23   1.782e-23   -22.622   -22.749    -0.127     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -0.96     -5.24   -4.28  CaSO4
-  Aragonite         0.64     -7.70   -8.34  CaCO3
-  Arcanite         -5.12     -7.00   -1.88  K2SO4
-  Calcite           0.78     -7.70   -8.48  CaCO3
+  Anhydrite        -1.09     -5.37   -4.28  CaSO4
+  Aragonite         0.64     -7.69   -8.34  CaCO3
+  Arcanite         -5.26     -7.14   -1.88  K2SO4
+  Calcite           0.79     -7.69   -8.48  CaCO3
   Chalcedony       -0.52     -4.07   -3.55  SiO2
-  Chrysotile        3.37     35.57   32.20  Mg3Si2O5(OH)4
-  CO2(g)           -3.37     -4.83   -1.47  CO2
-  Dolomite          2.45    -14.64  -17.08  CaMg(CO3)2
-  Epsomite         -2.80     -4.54   -1.74  MgSO4:7H2O
+  Chrysotile        3.41     35.62   32.20  Mg3Si2O5(OH)4
+  CO2(g)           -3.37     -4.84   -1.47  CO2
+  Dolomite          2.46    -14.63  -17.08  CaMg(CO3)2
+  Epsomite         -2.93     -4.67   -1.74  MgSO4:7H2O
   Fe(OH)3(a)        0.18      5.07    4.89  Fe(OH)3
   Goethite          6.08      5.08   -1.00  FeOOH
-  Gypsum           -0.67     -5.26   -4.58  CaSO4:2H2O
+  Gypsum           -0.80     -5.38   -4.58  CaSO4:2H2O
   H2(g)           -41.30    -44.40   -3.10  H2
   H2O(g)           -1.51     -0.01    1.50  H2O
-  Halite           -2.48     -0.91    1.57  NaCl
-  Hausmannite       1.55     62.58   61.03  Mn3O4
+  Halite           -2.49     -0.92    1.57  NaCl
+  Hausmannite       1.57     62.60   61.03  Mn3O4
   Hematite         14.17     10.17   -4.01  Fe2O3
-  Hexahydrite      -2.97     -4.53   -1.57  MgSO4:6H2O
-  Jarosite-K       -7.65    -16.86   -9.21  KFe3(SO4)2(OH)6
-  Kieserite        -3.33     -4.49   -1.16  MgSO4:H2O
-  Manganite         2.39     27.73   25.34  MnOOH
-  Melanterite     -19.42    -21.63   -2.21  FeSO4:7H2O
-  Mirabilite       -2.40     -3.64   -1.24  Na2SO4:10H2O
-  NH3(g)           -8.87     -7.07    1.80  NH3
+  Hexahydrite      -3.09     -4.66   -1.57  MgSO4:6H2O
+  Jarosite-K       -7.93    -17.14   -9.21  KFe3(SO4)2(OH)6
+  Kieserite        -3.45     -4.62   -1.16  MgSO4:H2O
+  Manganite         2.40     27.74   25.34  MnOOH
+  Melanterite     -19.57    -21.77   -2.21  FeSO4:7H2O
+  Mirabilite       -2.55     -3.79   -1.24  Na2SO4:10H2O
+  NH3(g)           -8.86     -7.07    1.80  NH3
   O2(g)            -0.70     -3.59   -2.89  O2	 Pressure   0.2 atm, phi 1.000
-  Pyrochroite      -8.10      7.10   15.20  Mn(OH)2
+  Pyrochroite      -8.09      7.11   15.20  Mn(OH)2
   Pyrolusite        6.97     48.35   41.38  MnO2:H2O
   Quartz           -0.09     -4.07   -3.98  SiO2
   Rhodochrosite    -3.27    -14.40  -11.13  MnCO3
-  Sepiolite         1.16     16.92   15.76  Mg2Si3O7.5OH:3H2O
-  Sepiolite(d)     -1.74     16.92   18.66  Mg2Si3O7.5OH:3H2O
-  Siderite        -13.14    -24.03  -10.89  FeCO3
-  SiO2(a)          -1.35     -4.07   -2.71  SiO2
-  Sylvite          -3.53     -2.63    0.90  KCl
-  Talc              6.05     27.45   21.40  Mg3Si4O10(OH)2
-  Thenardite       -3.25     -3.56   -0.30  Na2SO4
-  Uraninite       -12.72    -16.21   -3.49  UO2
+  Sepiolite         1.19     16.95   15.76  Mg2Si3O7.5OH:3H2O
+  Sepiolite(d)     -1.71     16.95   18.66  Mg2Si3O7.5OH:3H2O
+  Siderite        -13.15    -24.04  -10.89  FeCO3
+  SiO2(a)          -1.36     -4.07   -2.71  SiO2
+  Sylvite          -3.54     -2.64    0.90  KCl
+  Talc              6.09     27.49   21.40  Mg3Si4O10(OH)2
+  Thenardite       -3.41     -3.71   -0.30  Na2SO4
+  Uraninite       -12.70    -16.19   -3.49  UO2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex10.out b/phreeqc3-examples/ex10.out
index 14307fca..a4bf78c6 100644
--- a/phreeqc3-examples/ex10.out
+++ b/phreeqc3-examples/ex10.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -117,21 +118,21 @@ Initial solution 1.
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.969      Charge balance
+                                       pH  =   7.963      Charge balance
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 676
+      Specific Conductance (µS/cm,  25°C)  = 701
                           Density (g/cm³)  =   0.99755
-                               Volume (L)  =   1.00309
-                        Viscosity (mPa s)  =   0.89349
+                               Volume (L)  =   1.00310
+                        Viscosity (mPa s)  =   0.89435
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.105e-02
+                 Ionic strength (mol/kgw)  =   1.134e-02
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   7.864e-03
                        Total CO2 (mol/kg)  =   7.864e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -5.380e-15
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =   8
+                  Electrical balance (eq)  =   6.473e-12
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
+                               Iterations  =   7
                                   Total H  = 1.110200e+02
                                   Total O  = 5.552965e+01
 
@@ -140,39 +141,39 @@ Initial solution 1.
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.052e-06   9.419e-07    -5.978    -6.026    -0.048     -4.03
-   H+              1.180e-08   1.074e-08    -7.928    -7.969    -0.041      0.00
+   OH-             1.039e-06   9.295e-07    -5.983    -6.032    -0.048     -4.03
+   H+              1.197e-08   1.089e-08    -7.922    -7.963    -0.041      0.00
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -75.159   -75.158     0.001     35.46
+   CH4             0.000e+00   0.000e+00   -75.099   -75.098     0.001     35.46
 C(4)          7.864e-03
-   HCO3-           7.326e-03   6.602e-03    -2.135    -2.180    -0.045     24.66
-   CaHCO3+         2.211e-04   1.996e-04    -3.655    -3.700    -0.044      9.73
-   CO2             1.592e-04   1.595e-04    -3.798    -3.797     0.001     34.43
-   CaCO3           1.144e-04   1.147e-04    -3.941    -3.940     0.001    -14.60
-   CO3-2           4.369e-05   2.882e-05    -4.360    -4.540    -0.181     -3.76
-   (CO2)2          4.657e-10   4.669e-10    -9.332    -9.331     0.001     68.87
+   HCO3-           7.466e-03   6.720e-03    -2.127    -2.173    -0.046     24.65
+   CO2             1.643e-04   1.645e-04    -3.784    -3.784     0.001     34.43
+   CaCO3           1.191e-04   1.194e-04    -3.924    -3.923     0.001    -14.60
+   CaHCO3+         7.058e-05   6.365e-05    -4.151    -4.196    -0.045    122.69
+   CO3-2           4.409e-05   2.895e-05    -4.356    -4.538    -0.183     -3.64
+   (CO2)2          4.956e-10   4.969e-10    -9.305    -9.304     0.001     68.87
 Ca            3.932e-03
-   Ca+2            3.596e-03   2.370e-03    -2.444    -2.625    -0.181    -17.91
-   CaHCO3+         2.211e-04   1.996e-04    -3.655    -3.700    -0.044      9.73
-   CaCO3           1.144e-04   1.147e-04    -3.941    -3.940     0.001    -14.60
-   CaOH+           4.077e-08   3.661e-08    -7.390    -7.436    -0.047     (0)  
-H(0)          1.630e-27
-   H2              8.150e-28   8.171e-28   -27.089   -27.088     0.001     28.61
-O(0)          1.245e-38
-   O2              6.225e-39   6.241e-39   -38.206   -38.205     0.001     30.40
+   Ca+2            3.742e-03   2.455e-03    -2.427    -2.610    -0.183    -17.91
+   CaCO3           1.191e-04   1.194e-04    -3.924    -3.923     0.001    -14.60
+   CaHCO3+         7.058e-05   6.365e-05    -4.151    -4.196    -0.045    122.69
+   CaOH+           4.173e-08   3.742e-08    -7.380    -7.427    -0.047     (0)  
+H(0)          1.674e-27
+   H2              8.369e-28   8.391e-28   -27.077   -27.076     0.001     28.61
+O(0)          1.181e-38
+   O2              5.903e-39   5.918e-39   -38.229   -38.228     0.001     30.40
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite         1.17     -7.17   -8.34  CaCO3
-  Calcite           1.31     -7.17   -8.48  CaCO3
-  CH4(g)          -72.36    -75.16   -2.80  CH4
-  CO2(g)           -2.33     -3.80   -1.47  CO2
-  H2(g)           -23.99    -27.09   -3.10  H2
+  Aragonite         1.19     -7.15   -8.34  CaCO3
+  Calcite           1.33     -7.15   -8.48  CaCO3
+  CH4(g)          -72.30    -75.10   -2.80  CH4
+  CO2(g)           -2.32     -3.78   -1.47  CO2
+  H2(g)           -23.98    -27.08   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  O2(g)           -35.31    -38.20   -2.89  O2
+  O2(g)           -35.34    -38.23   -2.89  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -191,62 +192,62 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Aragonite         0.00    -8.34     -8.34    1.000e+01   9.993e+00  -6.582e-03
-CO2(g)           -0.01    -1.48     -1.47    1.000e+01   9.961e+00  -3.934e-02
+Aragonite         0.00    -8.34     -8.34    1.000e+01   9.994e+00  -5.997e-03
+CO2(g)           -0.01    -1.48     -1.47    1.000e+01   9.961e+00  -3.875e-02
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 5.379e-02   5.378e-02
-	Ca                1.051e-02   1.051e-02
+	C                 5.262e-02   5.261e-02
+	Ca                9.930e-03   9.929e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.064      Charge balance
-                                       pe  =  11.821      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1713
-                          Density (g/cm³)  =   0.99872
-                               Volume (L)  =   1.00431
-                        Viscosity (mPa s)  =   0.89762
+                                       pH  =   6.058      Charge balance
+                                       pe  =  11.902      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 1708
+                          Density (g/cm³)  =   0.99860
+                               Volume (L)  =   1.00434
+                        Viscosity (mPa s)  =   0.89962
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   2.901e-02
+                 Ionic strength (mol/kgw)  =   2.900e-02
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   2.103e-02
-                       Total CO2 (mol/kg)  =   5.379e-02
+                 Total alkalinity (eq/kg)  =   1.986e-02
+                       Total CO2 (mol/kg)  =   5.262e-02
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   2.415e-12
+                  Electrical balance (eq)  =   1.002e-11
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  10
                                   Total H  = 1.110200e+02
-                                  Total O  = 5.562807e+01
+                                  Total O  = 5.562514e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.847e-07   8.621e-07    -6.007    -6.064    -0.058      0.00
-   OH-             1.386e-08   1.173e-08    -7.858    -7.931    -0.073     -3.95
+   H+              9.999e-07   8.753e-07    -6.000    -6.058    -0.058      0.00
+   OH-             1.365e-08   1.155e-08    -7.865    -7.937    -0.073     -3.95
    H2O             5.551e+01   9.989e-01     1.744    -0.000     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.181  -120.178     0.003     35.46
-C(4)          5.379e-02
+   CH4             0.000e+00   0.000e+00  -120.774  -120.771     0.003     35.46
+C(4)          5.262e-02
    CO2             3.273e-02   3.287e-02    -1.485    -1.483     0.002     34.43
-   HCO3-           1.976e-02   1.694e-02    -1.704    -1.771    -0.067     24.77
-   CaHCO3+         1.257e-03   1.082e-03    -2.901    -2.966    -0.065      9.77
+   HCO3-           1.946e-02   1.669e-02    -1.711    -1.778    -0.067     24.73
+   CaHCO3+         3.858e-04   3.321e-04    -3.414    -3.479    -0.065    122.73
    (CO2)2          1.970e-05   1.984e-05    -4.705    -4.703     0.003     68.87
    CaCO3           7.698e-06   7.750e-06    -5.114    -5.111     0.003    -14.60
-   CO3-2           1.704e-06   9.217e-07    -5.769    -6.035    -0.267     -3.47
-Ca            1.051e-02
-   Ca+2            9.251e-03   5.005e-03    -2.034    -2.301    -0.267    -17.74
-   CaHCO3+         1.257e-03   1.082e-03    -2.901    -2.966    -0.065      9.77
+   CO3-2           1.652e-06   8.940e-07    -5.782    -6.049    -0.267     -3.39
+Ca            9.930e-03
+   Ca+2            9.536e-03   5.160e-03    -2.021    -2.287    -0.267    -17.74
+   CaHCO3+         3.858e-04   3.321e-04    -3.414    -3.479    -0.065    122.73
    CaCO3           7.698e-06   7.750e-06    -5.114    -5.111     0.003    -14.60
-   CaOH+           1.130e-09   9.625e-10    -8.947    -9.017    -0.070     (0)  
-H(0)          2.380e-39
-   H2              1.190e-39   1.198e-39   -38.924   -38.922     0.003     28.61
-O(0)          5.758e-15
-   O2              2.879e-15   2.898e-15   -14.541   -14.538     0.003     30.40
+   CaOH+           1.148e-09   9.773e-10    -8.940    -9.010    -0.070     (0)  
+H(0)          1.692e-39
+   H2              8.460e-40   8.517e-40   -39.073   -39.070     0.003     28.61
+O(0)          1.139e-14
+   O2              5.697e-15   5.735e-15   -14.244   -14.241     0.003     30.40
 
 ------------------------------Saturation indices-------------------------------
 
@@ -254,11 +255,11 @@ O(0)          5.758e-15
 
   Aragonite         0.00     -8.34   -8.34  CaCO3
   Calcite           0.14     -8.34   -8.48  CaCO3
-  CH4(g)         -117.38   -120.18   -2.80  CH4
+  CH4(g)         -117.97   -120.77   -2.80  CH4
   CO2(g)           -0.01     -1.48   -1.47  CO2	 Pressure   1.0 atm, phi 0.995
-  H2(g)           -35.82    -38.92   -3.10  H2
+  H2(g)           -35.97    -39.07   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  O2(g)           -11.65    -14.54   -2.89  O2
+  O2(g)           -11.35    -14.24   -2.89  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -355,9 +356,9 @@ Reaction step number:             1
 SrCO3 added:             1.0000e-05 
 Log Sigma pi:           -8.3356e+00 
 XAragonite:              9.9996e-01 
-XStrontianite:           4.2174e-05 
-XCa:                     9.9905e-01 
-XSr:                     9.5081e-04 
+XStrontianite:           4.0997e-05 
+XCa:                     9.9899e-01 
+XSr:                     1.0068e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -368,9 +369,9 @@ Reaction step number:             2
 SrCO3 added:             2.0000e-05 
 Log Sigma pi:           -8.3352e+00 
 XAragonite:              9.9992e-01 
-XStrontianite:           8.4457e-05 
-XCa:                     9.9810e-01 
-XSr:                     1.9009e-03 
+XStrontianite:           8.2099e-05 
+XCa:                     9.9799e-01 
+XSr:                     2.0128e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -379,11 +380,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:             3 
 SrCO3 added:             3.0000e-05 
-Log Sigma pi:           -8.3348e+00 
-XAragonite:              9.9987e-01 
-XStrontianite:           1.2685e-04 
-XCa:                     9.9715e-01 
-XSr:                     2.8504e-03 
+Log Sigma pi:           -8.3349e+00 
+XAragonite:              9.9988e-01 
+XStrontianite:           1.2331e-04 
+XCa:                     9.9698e-01 
+XSr:                     3.0181e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -393,10 +394,10 @@ Simulation number:                4
 Reaction step number:             4 
 SrCO3 added:             4.0000e-05 
 Log Sigma pi:           -8.3345e+00 
-XAragonite:              9.9983e-01 
-XStrontianite:           1.6936e-04 
-XCa:                     9.9620e-01 
-XSr:                     3.7992e-03 
+XAragonite:              9.9984e-01 
+XStrontianite:           1.6462e-04 
+XCa:                     9.9598e-01 
+XSr:                     4.0226e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -407,9 +408,9 @@ Reaction step number:             5
 SrCO3 added:             5.0000e-05 
 Log Sigma pi:           -8.3341e+00 
 XAragonite:              9.9979e-01 
-XStrontianite:           2.1197e-04 
-XCa:                     9.9525e-01 
-XSr:                     4.7473e-03 
+XStrontianite:           2.0605e-04 
+XCa:                     9.9497e-01 
+XSr:                     5.0263e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -420,9 +421,9 @@ Reaction step number:             6
 SrCO3 added:             6.0000e-05 
 Log Sigma pi:           -8.3337e+00 
 XAragonite:              9.9975e-01 
-XStrontianite:           2.5470e-04 
-XCa:                     9.9431e-01 
-XSr:                     5.6947e-03 
+XStrontianite:           2.4757e-04 
+XCa:                     9.9397e-01 
+XSr:                     6.0292e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -431,11 +432,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:             7 
 SrCO3 added:             7.0000e-05 
-Log Sigma pi:           -8.3333e+00 
-XAragonite:              9.9970e-01 
-XStrontianite:           2.9754e-04 
-XCa:                     9.9336e-01 
-XSr:                     6.6414e-03 
+Log Sigma pi:           -8.3334e+00 
+XAragonite:              9.9971e-01 
+XStrontianite:           2.8921e-04 
+XCa:                     9.9297e-01 
+XSr:                     7.0313e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -444,11 +445,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:             8 
 SrCO3 added:             8.0000e-05 
-Log Sigma pi:           -8.3329e+00 
-XAragonite:              9.9966e-01 
-XStrontianite:           3.4049e-04 
-XCa:                     9.9241e-01 
-XSr:                     7.5875e-03 
+Log Sigma pi:           -8.3330e+00 
+XAragonite:              9.9967e-01 
+XStrontianite:           3.3096e-04 
+XCa:                     9.9197e-01 
+XSr:                     8.0327e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -457,11 +458,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:             9 
 SrCO3 added:             9.0000e-05 
-Log Sigma pi:           -8.3325e+00 
-XAragonite:              9.9962e-01 
-XStrontianite:           3.8355e-04 
-XCa:                     9.9147e-01 
-XSr:                     8.5329e-03 
+Log Sigma pi:           -8.3326e+00 
+XAragonite:              9.9963e-01 
+XStrontianite:           3.7281e-04 
+XCa:                     9.9097e-01 
+XSr:                     9.0333e-03 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -470,11 +471,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            10 
 SrCO3 added:             1.0000e-04 
-Log Sigma pi:           -8.3321e+00 
-XAragonite:              9.9957e-01 
-XStrontianite:           4.2673e-04 
-XCa:                     9.9052e-01 
-XSr:                     9.4776e-03 
+Log Sigma pi:           -8.3322e+00 
+XAragonite:              9.9959e-01 
+XStrontianite:           4.1478e-04 
+XCa:                     9.8997e-01 
+XSr:                     1.0033e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -483,11 +484,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            11 
 SrCO3 added:             1.1000e-04 
-Log Sigma pi:           -8.3317e+00 
-XAragonite:              9.9953e-01 
-XStrontianite:           4.7002e-04 
-XCa:                     9.8958e-01 
-XSr:                     1.0422e-02 
+Log Sigma pi:           -8.3319e+00 
+XAragonite:              9.9954e-01 
+XStrontianite:           4.5685e-04 
+XCa:                     9.8897e-01 
+XSr:                     1.1032e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -496,11 +497,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            12 
 SrCO3 added:             1.2000e-04 
-Log Sigma pi:           -8.3314e+00 
-XAragonite:              9.9949e-01 
-XStrontianite:           5.1343e-04 
-XCa:                     9.8864e-01 
-XSr:                     1.1365e-02 
+Log Sigma pi:           -8.3315e+00 
+XAragonite:              9.9950e-01 
+XStrontianite:           4.9903e-04 
+XCa:                     9.8797e-01 
+XSr:                     1.2030e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -509,11 +510,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            13 
 SrCO3 added:             1.3000e-04 
-Log Sigma pi:           -8.3310e+00 
-XAragonite:              9.9944e-01 
-XStrontianite:           5.5695e-04 
-XCa:                     9.8769e-01 
-XSr:                     1.2308e-02 
+Log Sigma pi:           -8.3311e+00 
+XAragonite:              9.9946e-01 
+XStrontianite:           5.4133e-04 
+XCa:                     9.8697e-01 
+XSr:                     1.3028e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -522,11 +523,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            14 
 SrCO3 added:             1.4000e-04 
-Log Sigma pi:           -8.3306e+00 
-XAragonite:              9.9940e-01 
-XStrontianite:           6.0059e-04 
-XCa:                     9.8675e-01 
-XSr:                     1.3250e-02 
+Log Sigma pi:           -8.3307e+00 
+XAragonite:              9.9942e-01 
+XStrontianite:           5.8373e-04 
+XCa:                     9.8598e-01 
+XSr:                     1.4025e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -535,11 +536,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            15 
 SrCO3 added:             1.5000e-04 
-Log Sigma pi:           -8.3302e+00 
-XAragonite:              9.9936e-01 
-XStrontianite:           6.4434e-04 
-XCa:                     9.8581e-01 
-XSr:                     1.4191e-02 
+Log Sigma pi:           -8.3304e+00 
+XAragonite:              9.9937e-01 
+XStrontianite:           6.2625e-04 
+XCa:                     9.8498e-01 
+XSr:                     1.5021e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -548,11 +549,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            16 
 SrCO3 added:             1.6000e-04 
-Log Sigma pi:           -8.3298e+00 
-XAragonite:              9.9931e-01 
-XStrontianite:           6.8821e-04 
-XCa:                     9.8487e-01 
-XSr:                     1.5132e-02 
+Log Sigma pi:           -8.3300e+00 
+XAragonite:              9.9933e-01 
+XStrontianite:           6.6888e-04 
+XCa:                     9.8398e-01 
+XSr:                     1.6016e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -561,11 +562,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            17 
 SrCO3 added:             1.7000e-04 
-Log Sigma pi:           -8.3294e+00 
-XAragonite:              9.9927e-01 
-XStrontianite:           7.3220e-04 
-XCa:                     9.8393e-01 
-XSr:                     1.6072e-02 
+Log Sigma pi:           -8.3296e+00 
+XAragonite:              9.9929e-01 
+XStrontianite:           7.1162e-04 
+XCa:                     9.8299e-01 
+XSr:                     1.7010e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -574,11 +575,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            18 
 SrCO3 added:             1.8000e-04 
-Log Sigma pi:           -8.3290e+00 
-XAragonite:              9.9922e-01 
-XStrontianite:           7.7630e-04 
-XCa:                     9.8299e-01 
-XSr:                     1.7011e-02 
+Log Sigma pi:           -8.3292e+00 
+XAragonite:              9.9925e-01 
+XStrontianite:           7.5447e-04 
+XCa:                     9.8200e-01 
+XSr:                     1.8004e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -587,11 +588,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            19 
 SrCO3 added:             1.9000e-04 
-Log Sigma pi:           -8.3286e+00 
-XAragonite:              9.9918e-01 
-XStrontianite:           8.2052e-04 
-XCa:                     9.8205e-01 
-XSr:                     1.7950e-02 
+Log Sigma pi:           -8.3288e+00 
+XAragonite:              9.9920e-01 
+XStrontianite:           7.9744e-04 
+XCa:                     9.8100e-01 
+XSr:                     1.8997e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -600,11 +601,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            20 
 SrCO3 added:             2.0000e-04 
-Log Sigma pi:           -8.3283e+00 
-XAragonite:              9.9914e-01 
-XStrontianite:           8.6487e-04 
-XCa:                     9.8111e-01 
-XSr:                     1.8887e-02 
+Log Sigma pi:           -8.3285e+00 
+XAragonite:              9.9916e-01 
+XStrontianite:           8.4052e-04 
+XCa:                     9.8001e-01 
+XSr:                     1.9989e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -613,11 +614,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            21 
 SrCO3 added:             2.1000e-04 
-Log Sigma pi:           -8.3279e+00 
-XAragonite:              9.9909e-01 
-XStrontianite:           9.0932e-04 
-XCa:                     9.8018e-01 
-XSr:                     1.9825e-02 
+Log Sigma pi:           -8.3281e+00 
+XAragonite:              9.9912e-01 
+XStrontianite:           8.8372e-04 
+XCa:                     9.7902e-01 
+XSr:                     2.0980e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -626,11 +627,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            22 
 SrCO3 added:             2.2000e-04 
-Log Sigma pi:           -8.3275e+00 
-XAragonite:              9.9905e-01 
-XStrontianite:           9.5390e-04 
-XCa:                     9.7924e-01 
-XSr:                     2.0761e-02 
+Log Sigma pi:           -8.3277e+00 
+XAragonite:              9.9907e-01 
+XStrontianite:           9.2703e-04 
+XCa:                     9.7803e-01 
+XSr:                     2.1970e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -639,11 +640,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            23 
 SrCO3 added:             2.3000e-04 
-Log Sigma pi:           -8.3271e+00 
-XAragonite:              9.9900e-01 
-XStrontianite:           9.9860e-04 
-XCa:                     9.7830e-01 
-XSr:                     2.1697e-02 
+Log Sigma pi:           -8.3273e+00 
+XAragonite:              9.9903e-01 
+XStrontianite:           9.7045e-04 
+XCa:                     9.7704e-01 
+XSr:                     2.2960e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -652,11 +653,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            24 
 SrCO3 added:             2.4000e-04 
-Log Sigma pi:           -8.3267e+00 
-XAragonite:              9.9896e-01 
-XStrontianite:           1.0434e-03 
-XCa:                     9.7737e-01 
-XSr:                     2.2633e-02 
+Log Sigma pi:           -8.3270e+00 
+XAragonite:              9.9899e-01 
+XStrontianite:           1.0140e-03 
+XCa:                     9.7605e-01 
+XSr:                     2.3949e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -665,11 +666,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            25 
 SrCO3 added:             2.5000e-04 
-Log Sigma pi:           -8.3263e+00 
-XAragonite:              9.9891e-01 
-XStrontianite:           1.0884e-03 
-XCa:                     9.7643e-01 
-XSr:                     2.3567e-02 
+Log Sigma pi:           -8.3266e+00 
+XAragonite:              9.9894e-01 
+XStrontianite:           1.0577e-03 
+XCa:                     9.7506e-01 
+XSr:                     2.4937e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -678,11 +679,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            26 
 SrCO3 added:             2.6000e-04 
-Log Sigma pi:           -8.3259e+00 
-XAragonite:              9.9887e-01 
-XStrontianite:           1.1334e-03 
-XCa:                     9.7550e-01 
-XSr:                     2.4501e-02 
+Log Sigma pi:           -8.3262e+00 
+XAragonite:              9.9890e-01 
+XStrontianite:           1.1014e-03 
+XCa:                     9.7408e-01 
+XSr:                     2.5925e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -691,11 +692,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            27 
 SrCO3 added:             2.7000e-04 
-Log Sigma pi:           -8.3255e+00 
-XAragonite:              9.9882e-01 
-XStrontianite:           1.1786e-03 
-XCa:                     9.7457e-01 
-XSr:                     2.5434e-02 
+Log Sigma pi:           -8.3258e+00 
+XAragonite:              9.9885e-01 
+XStrontianite:           1.1453e-03 
+XCa:                     9.7309e-01 
+XSr:                     2.6911e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -704,11 +705,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            28 
 SrCO3 added:             2.8000e-04 
-Log Sigma pi:           -8.3252e+00 
-XAragonite:              9.9878e-01 
-XStrontianite:           1.2239e-03 
-XCa:                     9.7363e-01 
-XSr:                     2.6367e-02 
+Log Sigma pi:           -8.3254e+00 
+XAragonite:              9.9881e-01 
+XStrontianite:           1.1893e-03 
+XCa:                     9.7210e-01 
+XSr:                     2.7897e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -717,11 +718,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            29 
 SrCO3 added:             2.9000e-04 
-Log Sigma pi:           -8.3248e+00 
-XAragonite:              9.9873e-01 
-XStrontianite:           1.2693e-03 
-XCa:                     9.7270e-01 
-XSr:                     2.7299e-02 
+Log Sigma pi:           -8.3251e+00 
+XAragonite:              9.9877e-01 
+XStrontianite:           1.2335e-03 
+XCa:                     9.7112e-01 
+XSr:                     2.8882e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -730,11 +731,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            30 
 SrCO3 added:             3.0000e-04 
-Log Sigma pi:           -8.3244e+00 
-XAragonite:              9.9869e-01 
-XStrontianite:           1.3149e-03 
-XCa:                     9.7177e-01 
-XSr:                     2.8230e-02 
+Log Sigma pi:           -8.3247e+00 
+XAragonite:              9.9872e-01 
+XStrontianite:           1.2777e-03 
+XCa:                     9.7013e-01 
+XSr:                     2.9866e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -743,11 +744,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            31 
 SrCO3 added:             3.1000e-04 
-Log Sigma pi:           -8.3240e+00 
-XAragonite:              9.9864e-01 
-XStrontianite:           1.3606e-03 
-XCa:                     9.7084e-01 
-XSr:                     2.9160e-02 
+Log Sigma pi:           -8.3243e+00 
+XAragonite:              9.9868e-01 
+XStrontianite:           1.3221e-03 
+XCa:                     9.6915e-01 
+XSr:                     3.0850e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -756,11 +757,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            32 
 SrCO3 added:             3.2000e-04 
-Log Sigma pi:           -8.3236e+00 
-XAragonite:              9.9859e-01 
-XStrontianite:           1.4064e-03 
-XCa:                     9.6991e-01 
-XSr:                     3.0090e-02 
+Log Sigma pi:           -8.3239e+00 
+XAragonite:              9.9863e-01 
+XStrontianite:           1.3666e-03 
+XCa:                     9.6817e-01 
+XSr:                     3.1833e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -769,11 +770,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            33 
 SrCO3 added:             3.3000e-04 
-Log Sigma pi:           -8.3232e+00 
-XAragonite:              9.9855e-01 
-XStrontianite:           1.4523e-03 
-XCa:                     9.6898e-01 
-XSr:                     3.1019e-02 
+Log Sigma pi:           -8.3236e+00 
+XAragonite:              9.9859e-01 
+XStrontianite:           1.4112e-03 
+XCa:                     9.6719e-01 
+XSr:                     3.2815e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -782,11 +783,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            34 
 SrCO3 added:             3.4000e-04 
-Log Sigma pi:           -8.3228e+00 
-XAragonite:              9.9850e-01 
-XStrontianite:           1.4984e-03 
-XCa:                     9.6805e-01 
-XSr:                     3.1948e-02 
+Log Sigma pi:           -8.3232e+00 
+XAragonite:              9.9854e-01 
+XStrontianite:           1.4559e-03 
+XCa:                     9.6620e-01 
+XSr:                     3.3796e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -795,11 +796,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            35 
 SrCO3 added:             3.5000e-04 
-Log Sigma pi:           -8.3224e+00 
-XAragonite:              9.9846e-01 
-XStrontianite:           1.5445e-03 
-XCa:                     9.6712e-01 
-XSr:                     3.2876e-02 
+Log Sigma pi:           -8.3228e+00 
+XAragonite:              9.9850e-01 
+XStrontianite:           1.5007e-03 
+XCa:                     9.6522e-01 
+XSr:                     3.4776e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -808,11 +809,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            36 
 SrCO3 added:             3.6000e-04 
-Log Sigma pi:           -8.3220e+00 
-XAragonite:              9.9841e-01 
-XStrontianite:           1.5909e-03 
-XCa:                     9.6620e-01 
-XSr:                     3.3803e-02 
+Log Sigma pi:           -8.3224e+00 
+XAragonite:              9.9845e-01 
+XStrontianite:           1.5457e-03 
+XCa:                     9.6424e-01 
+XSr:                     3.5756e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -821,11 +822,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            37 
 SrCO3 added:             3.7000e-04 
-Log Sigma pi:           -8.3217e+00 
-XAragonite:              9.9836e-01 
-XStrontianite:           1.6373e-03 
-XCa:                     9.6527e-01 
-XSr:                     3.4729e-02 
+Log Sigma pi:           -8.3220e+00 
+XAragonite:              9.9841e-01 
+XStrontianite:           1.5908e-03 
+XCa:                     9.6327e-01 
+XSr:                     3.6735e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -834,11 +835,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            38 
 SrCO3 added:             3.8000e-04 
-Log Sigma pi:           -8.3213e+00 
-XAragonite:              9.9832e-01 
-XStrontianite:           1.6839e-03 
-XCa:                     9.6435e-01 
-XSr:                     3.5655e-02 
+Log Sigma pi:           -8.3217e+00 
+XAragonite:              9.9836e-01 
+XStrontianite:           1.6360e-03 
+XCa:                     9.6229e-01 
+XSr:                     3.7713e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -847,11 +848,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            39 
 SrCO3 added:             3.9000e-04 
-Log Sigma pi:           -8.3209e+00 
-XAragonite:              9.9827e-01 
-XStrontianite:           1.7305e-03 
-XCa:                     9.6342e-01 
-XSr:                     3.6580e-02 
+Log Sigma pi:           -8.3213e+00 
+XAragonite:              9.9832e-01 
+XStrontianite:           1.6814e-03 
+XCa:                     9.6131e-01 
+XSr:                     3.8690e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -860,11 +861,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            40 
 SrCO3 added:             4.0000e-04 
-Log Sigma pi:           -8.3205e+00 
-XAragonite:              9.9822e-01 
-XStrontianite:           1.7774e-03 
-XCa:                     9.6250e-01 
-XSr:                     3.7504e-02 
+Log Sigma pi:           -8.3209e+00 
+XAragonite:              9.9827e-01 
+XStrontianite:           1.7268e-03 
+XCa:                     9.6033e-01 
+XSr:                     3.9667e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -873,11 +874,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            41 
 SrCO3 added:             4.1000e-04 
-Log Sigma pi:           -8.3201e+00 
-XAragonite:              9.9818e-01 
-XStrontianite:           1.8243e-03 
-XCa:                     9.6157e-01 
-XSr:                     3.8428e-02 
+Log Sigma pi:           -8.3205e+00 
+XAragonite:              9.9823e-01 
+XStrontianite:           1.7724e-03 
+XCa:                     9.5936e-01 
+XSr:                     4.0643e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -886,11 +887,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            42 
 SrCO3 added:             4.2000e-04 
-Log Sigma pi:           -8.3197e+00 
-XAragonite:              9.9813e-01 
-XStrontianite:           1.8714e-03 
-XCa:                     9.6065e-01 
-XSr:                     3.9351e-02 
+Log Sigma pi:           -8.3201e+00 
+XAragonite:              9.9818e-01 
+XStrontianite:           1.8182e-03 
+XCa:                     9.5838e-01 
+XSr:                     4.1618e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -899,11 +900,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            43 
 SrCO3 added:             4.3000e-04 
-Log Sigma pi:           -8.3193e+00 
-XAragonite:              9.9808e-01 
-XStrontianite:           1.9186e-03 
-XCa:                     9.5973e-01 
-XSr:                     4.0274e-02 
+Log Sigma pi:           -8.3198e+00 
+XAragonite:              9.9814e-01 
+XStrontianite:           1.8640e-03 
+XCa:                     9.5741e-01 
+XSr:                     4.2592e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -912,11 +913,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            44 
 SrCO3 added:             4.4000e-04 
-Log Sigma pi:           -8.3189e+00 
-XAragonite:              9.9803e-01 
-XStrontianite:           1.9660e-03 
-XCa:                     9.5880e-01 
-XSr:                     4.1195e-02 
+Log Sigma pi:           -8.3194e+00 
+XAragonite:              9.9809e-01 
+XStrontianite:           1.9100e-03 
+XCa:                     9.5643e-01 
+XSr:                     4.3566e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -925,11 +926,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            45 
 SrCO3 added:             4.5000e-04 
-Log Sigma pi:           -8.3185e+00 
-XAragonite:              9.9799e-01 
-XStrontianite:           2.0134e-03 
-XCa:                     9.5788e-01 
-XSr:                     4.2117e-02 
+Log Sigma pi:           -8.3190e+00 
+XAragonite:              9.9804e-01 
+XStrontianite:           1.9561e-03 
+XCa:                     9.5546e-01 
+XSr:                     4.4538e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -938,11 +939,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            46 
 SrCO3 added:             4.6000e-04 
-Log Sigma pi:           -8.3182e+00 
-XAragonite:              9.9794e-01 
-XStrontianite:           2.0611e-03 
-XCa:                     9.5696e-01 
-XSr:                     4.3037e-02 
+Log Sigma pi:           -8.3186e+00 
+XAragonite:              9.9800e-01 
+XStrontianite:           2.0023e-03 
+XCa:                     9.5449e-01 
+XSr:                     4.5510e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -951,11 +952,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            47 
 SrCO3 added:             4.7000e-04 
-Log Sigma pi:           -8.3178e+00 
-XAragonite:              9.9789e-01 
-XStrontianite:           2.1088e-03 
-XCa:                     9.5604e-01 
-XSr:                     4.3957e-02 
+Log Sigma pi:           -8.3183e+00 
+XAragonite:              9.9795e-01 
+XStrontianite:           2.0486e-03 
+XCa:                     9.5352e-01 
+XSr:                     4.6481e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -964,11 +965,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            48 
 SrCO3 added:             4.8000e-04 
-Log Sigma pi:           -8.3174e+00 
-XAragonite:              9.9784e-01 
-XStrontianite:           2.1567e-03 
-XCa:                     9.5512e-01 
-XSr:                     4.4876e-02 
+Log Sigma pi:           -8.3179e+00 
+XAragonite:              9.9790e-01 
+XStrontianite:           2.0951e-03 
+XCa:                     9.5255e-01 
+XSr:                     4.7452e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -977,11 +978,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            49 
 SrCO3 added:             4.9000e-04 
-Log Sigma pi:           -8.3170e+00 
-XAragonite:              9.9780e-01 
-XStrontianite:           2.2047e-03 
-XCa:                     9.5421e-01 
-XSr:                     4.5794e-02 
+Log Sigma pi:           -8.3175e+00 
+XAragonite:              9.9786e-01 
+XStrontianite:           2.1417e-03 
+XCa:                     9.5158e-01 
+XSr:                     4.8422e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -990,11 +991,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            50 
 SrCO3 added:             5.0000e-04 
-Log Sigma pi:           -8.3166e+00 
-XAragonite:              9.9775e-01 
-XStrontianite:           2.2528e-03 
-XCa:                     9.5329e-01 
-XSr:                     4.6712e-02 
+Log Sigma pi:           -8.3171e+00 
+XAragonite:              9.9781e-01 
+XStrontianite:           2.1885e-03 
+XCa:                     9.5061e-01 
+XSr:                     4.9390e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1003,11 +1004,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            51 
 SrCO3 added:             5.1000e-04 
-Log Sigma pi:           -8.3162e+00 
-XAragonite:              9.9770e-01 
-XStrontianite:           2.3011e-03 
-XCa:                     9.5237e-01 
-XSr:                     4.7629e-02 
+Log Sigma pi:           -8.3167e+00 
+XAragonite:              9.9776e-01 
+XStrontianite:           2.2353e-03 
+XCa:                     9.4964e-01 
+XSr:                     5.0358e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1016,11 +1017,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            52 
 SrCO3 added:             5.2000e-04 
-Log Sigma pi:           -8.3158e+00 
-XAragonite:              9.9765e-01 
-XStrontianite:           2.3496e-03 
-XCa:                     9.5146e-01 
-XSr:                     4.8545e-02 
+Log Sigma pi:           -8.3164e+00 
+XAragonite:              9.9772e-01 
+XStrontianite:           2.2823e-03 
+XCa:                     9.4867e-01 
+XSr:                     5.1326e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1029,11 +1030,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            53 
 SrCO3 added:             5.3000e-04 
-Log Sigma pi:           -8.3154e+00 
-XAragonite:              9.9760e-01 
-XStrontianite:           2.3981e-03 
-XCa:                     9.5054e-01 
-XSr:                     4.9461e-02 
+Log Sigma pi:           -8.3160e+00 
+XAragonite:              9.9767e-01 
+XStrontianite:           2.3295e-03 
+XCa:                     9.4771e-01 
+XSr:                     5.2292e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1042,11 +1043,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            54 
 SrCO3 added:             5.4000e-04 
-Log Sigma pi:           -8.3150e+00 
-XAragonite:              9.9755e-01 
-XStrontianite:           2.4468e-03 
-XCa:                     9.4962e-01 
-XSr:                     5.0376e-02 
+Log Sigma pi:           -8.3156e+00 
+XAragonite:              9.9762e-01 
+XStrontianite:           2.3767e-03 
+XCa:                     9.4674e-01 
+XSr:                     5.3258e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1055,11 +1056,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            55 
 SrCO3 added:             5.5000e-04 
-Log Sigma pi:           -8.3146e+00 
-XAragonite:              9.9750e-01 
-XStrontianite:           2.4956e-03 
-XCa:                     9.4871e-01 
-XSr:                     5.1290e-02 
+Log Sigma pi:           -8.3152e+00 
+XAragonite:              9.9758e-01 
+XStrontianite:           2.4241e-03 
+XCa:                     9.4578e-01 
+XSr:                     5.4223e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1068,11 +1069,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            56 
 SrCO3 added:             5.6000e-04 
-Log Sigma pi:           -8.3143e+00 
-XAragonite:              9.9746e-01 
-XStrontianite:           2.5446e-03 
-XCa:                     9.4780e-01 
-XSr:                     5.2204e-02 
+Log Sigma pi:           -8.3148e+00 
+XAragonite:              9.9753e-01 
+XStrontianite:           2.4717e-03 
+XCa:                     9.4481e-01 
+XSr:                     5.5187e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1081,11 +1082,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            57 
 SrCO3 added:             5.7000e-04 
-Log Sigma pi:           -8.3139e+00 
-XAragonite:              9.9741e-01 
-XStrontianite:           2.5937e-03 
-XCa:                     9.4688e-01 
-XSr:                     5.3117e-02 
+Log Sigma pi:           -8.3145e+00 
+XAragonite:              9.9748e-01 
+XStrontianite:           2.5193e-03 
+XCa:                     9.4385e-01 
+XSr:                     5.6151e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1094,11 +1095,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            58 
 SrCO3 added:             5.8000e-04 
-Log Sigma pi:           -8.3135e+00 
-XAragonite:              9.9736e-01 
-XStrontianite:           2.6430e-03 
-XCa:                     9.4597e-01 
-XSr:                     5.4029e-02 
+Log Sigma pi:           -8.3141e+00 
+XAragonite:              9.9743e-01 
+XStrontianite:           2.5671e-03 
+XCa:                     9.4289e-01 
+XSr:                     5.7114e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1107,11 +1108,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            59 
 SrCO3 added:             5.9000e-04 
-Log Sigma pi:           -8.3131e+00 
-XAragonite:              9.9731e-01 
-XStrontianite:           2.6924e-03 
-XCa:                     9.4506e-01 
-XSr:                     5.4940e-02 
+Log Sigma pi:           -8.3137e+00 
+XAragonite:              9.9738e-01 
+XStrontianite:           2.6151e-03 
+XCa:                     9.4192e-01 
+XSr:                     5.8076e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1120,11 +1121,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            60 
 SrCO3 added:             6.0000e-04 
-Log Sigma pi:           -8.3127e+00 
-XAragonite:              9.9726e-01 
-XStrontianite:           2.7419e-03 
-XCa:                     9.4415e-01 
-XSr:                     5.5851e-02 
+Log Sigma pi:           -8.3133e+00 
+XAragonite:              9.9734e-01 
+XStrontianite:           2.6631e-03 
+XCa:                     9.4096e-01 
+XSr:                     5.9037e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1133,11 +1134,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            61 
 SrCO3 added:             6.1000e-04 
-Log Sigma pi:           -8.3123e+00 
-XAragonite:              9.9721e-01 
-XStrontianite:           2.7916e-03 
-XCa:                     9.4324e-01 
-XSr:                     5.6762e-02 
+Log Sigma pi:           -8.3129e+00 
+XAragonite:              9.9729e-01 
+XStrontianite:           2.7114e-03 
+XCa:                     9.4000e-01 
+XSr:                     5.9997e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1146,11 +1147,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            62 
 SrCO3 added:             6.2000e-04 
-Log Sigma pi:           -8.3119e+00 
-XAragonite:              9.9716e-01 
-XStrontianite:           2.8414e-03 
-XCa:                     9.4233e-01 
-XSr:                     5.7671e-02 
+Log Sigma pi:           -8.3126e+00 
+XAragonite:              9.9724e-01 
+XStrontianite:           2.7597e-03 
+XCa:                     9.3904e-01 
+XSr:                     6.0957e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1159,11 +1160,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            63 
 SrCO3 added:             6.3000e-04 
-Log Sigma pi:           -8.3115e+00 
-XAragonite:              9.9711e-01 
-XStrontianite:           2.8914e-03 
-XCa:                     9.4142e-01 
-XSr:                     5.8580e-02 
+Log Sigma pi:           -8.3122e+00 
+XAragonite:              9.9719e-01 
+XStrontianite:           2.8082e-03 
+XCa:                     9.3808e-01 
+XSr:                     6.1916e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1172,11 +1173,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            64 
 SrCO3 added:             6.4000e-04 
-Log Sigma pi:           -8.3111e+00 
-XAragonite:              9.9706e-01 
-XStrontianite:           2.9415e-03 
-XCa:                     9.4051e-01 
-XSr:                     5.9488e-02 
+Log Sigma pi:           -8.3118e+00 
+XAragonite:              9.9714e-01 
+XStrontianite:           2.8568e-03 
+XCa:                     9.3713e-01 
+XSr:                     6.2874e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1185,11 +1186,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            65 
 SrCO3 added:             6.5000e-04 
-Log Sigma pi:           -8.3107e+00 
-XAragonite:              9.9701e-01 
-XStrontianite:           2.9918e-03 
-XCa:                     9.3960e-01 
-XSr:                     6.0396e-02 
+Log Sigma pi:           -8.3114e+00 
+XAragonite:              9.9709e-01 
+XStrontianite:           2.9056e-03 
+XCa:                     9.3617e-01 
+XSr:                     6.3831e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1198,11 +1199,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            66 
 SrCO3 added:             6.6000e-04 
-Log Sigma pi:           -8.3104e+00 
-XAragonite:              9.9696e-01 
-XStrontianite:           3.0422e-03 
-XCa:                     9.3870e-01 
-XSr:                     6.1303e-02 
+Log Sigma pi:           -8.3110e+00 
+XAragonite:              9.9705e-01 
+XStrontianite:           2.9545e-03 
+XCa:                     9.3521e-01 
+XSr:                     6.4788e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1211,11 +1212,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            67 
 SrCO3 added:             6.7000e-04 
-Log Sigma pi:           -8.3100e+00 
-XAragonite:              9.9691e-01 
-XStrontianite:           3.0927e-03 
-XCa:                     9.3779e-01 
-XSr:                     6.2209e-02 
+Log Sigma pi:           -8.3106e+00 
+XAragonite:              9.9700e-01 
+XStrontianite:           3.0035e-03 
+XCa:                     9.3426e-01 
+XSr:                     6.5743e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1224,11 +1225,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            68 
 SrCO3 added:             6.8000e-04 
-Log Sigma pi:           -8.3096e+00 
-XAragonite:              9.9686e-01 
-XStrontianite:           3.1434e-03 
-XCa:                     9.3689e-01 
-XSr:                     6.3115e-02 
+Log Sigma pi:           -8.3103e+00 
+XAragonite:              9.9695e-01 
+XStrontianite:           3.0527e-03 
+XCa:                     9.3330e-01 
+XSr:                     6.6698e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1237,11 +1238,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            69 
 SrCO3 added:             6.9000e-04 
-Log Sigma pi:           -8.3092e+00 
-XAragonite:              9.9681e-01 
-XStrontianite:           3.1943e-03 
-XCa:                     9.3598e-01 
-XSr:                     6.4019e-02 
+Log Sigma pi:           -8.3099e+00 
+XAragonite:              9.9690e-01 
+XStrontianite:           3.1020e-03 
+XCa:                     9.3235e-01 
+XSr:                     6.7653e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1250,11 +1251,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            70 
 SrCO3 added:             7.0000e-04 
-Log Sigma pi:           -8.3088e+00 
-XAragonite:              9.9675e-01 
-XStrontianite:           3.2453e-03 
-XCa:                     9.3508e-01 
-XSr:                     6.4924e-02 
+Log Sigma pi:           -8.3095e+00 
+XAragonite:              9.9685e-01 
+XStrontianite:           3.1515e-03 
+XCa:                     9.3139e-01 
+XSr:                     6.8606e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1263,11 +1264,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            71 
 SrCO3 added:             7.1000e-04 
-Log Sigma pi:           -8.3084e+00 
-XAragonite:              9.9670e-01 
-XStrontianite:           3.2964e-03 
-XCa:                     9.3417e-01 
-XSr:                     6.5827e-02 
+Log Sigma pi:           -8.3091e+00 
+XAragonite:              9.9680e-01 
+XStrontianite:           3.2011e-03 
+XCa:                     9.3044e-01 
+XSr:                     6.9559e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1276,11 +1277,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            72 
 SrCO3 added:             7.2000e-04 
-Log Sigma pi:           -8.3080e+00 
-XAragonite:              9.9665e-01 
-XStrontianite:           3.3477e-03 
-XCa:                     9.3327e-01 
-XSr:                     6.6730e-02 
+Log Sigma pi:           -8.3087e+00 
+XAragonite:              9.9675e-01 
+XStrontianite:           3.2509e-03 
+XCa:                     9.2949e-01 
+XSr:                     7.0511e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1289,11 +1290,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            73 
 SrCO3 added:             7.3000e-04 
-Log Sigma pi:           -8.3076e+00 
-XAragonite:              9.9660e-01 
-XStrontianite:           3.3992e-03 
-XCa:                     9.3237e-01 
-XSr:                     6.7632e-02 
+Log Sigma pi:           -8.3084e+00 
+XAragonite:              9.9670e-01 
+XStrontianite:           3.3008e-03 
+XCa:                     9.2854e-01 
+XSr:                     7.1462e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1302,11 +1303,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            74 
 SrCO3 added:             7.4000e-04 
-Log Sigma pi:           -8.3072e+00 
-XAragonite:              9.9655e-01 
-XStrontianite:           3.4508e-03 
-XCa:                     9.3147e-01 
-XSr:                     6.8534e-02 
+Log Sigma pi:           -8.3080e+00 
+XAragonite:              9.9665e-01 
+XStrontianite:           3.3508e-03 
+XCa:                     9.2759e-01 
+XSr:                     7.2412e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1315,11 +1316,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            75 
 SrCO3 added:             7.5000e-04 
-Log Sigma pi:           -8.3068e+00 
-XAragonite:              9.9650e-01 
-XStrontianite:           3.5025e-03 
-XCa:                     9.3057e-01 
-XSr:                     6.9434e-02 
+Log Sigma pi:           -8.3076e+00 
+XAragonite:              9.9660e-01 
+XStrontianite:           3.4010e-03 
+XCa:                     9.2664e-01 
+XSr:                     7.3362e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1328,11 +1329,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            76 
 SrCO3 added:             7.6000e-04 
-Log Sigma pi:           -8.3064e+00 
-XAragonite:              9.9645e-01 
-XStrontianite:           3.5544e-03 
-XCa:                     9.2967e-01 
-XSr:                     7.0335e-02 
+Log Sigma pi:           -8.3072e+00 
+XAragonite:              9.9655e-01 
+XStrontianite:           3.4514e-03 
+XCa:                     9.2569e-01 
+XSr:                     7.4311e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1341,11 +1342,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            77 
 SrCO3 added:             7.7000e-04 
-Log Sigma pi:           -8.3061e+00 
-XAragonite:              9.9639e-01 
-XStrontianite:           3.6065e-03 
-XCa:                     9.2877e-01 
-XSr:                     7.1234e-02 
+Log Sigma pi:           -8.3068e+00 
+XAragonite:              9.9650e-01 
+XStrontianite:           3.5018e-03 
+XCa:                     9.2474e-01 
+XSr:                     7.5259e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1354,11 +1355,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            78 
 SrCO3 added:             7.8000e-04 
-Log Sigma pi:           -8.3057e+00 
-XAragonite:              9.9634e-01 
-XStrontianite:           3.6587e-03 
-XCa:                     9.2787e-01 
-XSr:                     7.2133e-02 
+Log Sigma pi:           -8.3065e+00 
+XAragonite:              9.9645e-01 
+XStrontianite:           3.5525e-03 
+XCa:                     9.2379e-01 
+XSr:                     7.6206e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1367,11 +1368,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            79 
 SrCO3 added:             7.9000e-04 
-Log Sigma pi:           -8.3053e+00 
-XAragonite:              9.9629e-01 
-XStrontianite:           3.7111e-03 
-XCa:                     9.2697e-01 
-XSr:                     7.3031e-02 
+Log Sigma pi:           -8.3061e+00 
+XAragonite:              9.9640e-01 
+XStrontianite:           3.6033e-03 
+XCa:                     9.2285e-01 
+XSr:                     7.7153e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1380,11 +1381,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            80 
 SrCO3 added:             8.0000e-04 
-Log Sigma pi:           -8.3049e+00 
-XAragonite:              9.9624e-01 
-XStrontianite:           3.7636e-03 
-XCa:                     9.2607e-01 
-XSr:                     7.3928e-02 
+Log Sigma pi:           -8.3057e+00 
+XAragonite:              9.9635e-01 
+XStrontianite:           3.6542e-03 
+XCa:                     9.2190e-01 
+XSr:                     7.8099e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1393,11 +1394,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            81 
 SrCO3 added:             8.1000e-04 
-Log Sigma pi:           -8.3045e+00 
-XAragonite:              9.9618e-01 
-XStrontianite:           3.8163e-03 
-XCa:                     9.2517e-01 
-XSr:                     7.4825e-02 
+Log Sigma pi:           -8.3053e+00 
+XAragonite:              9.9629e-01 
+XStrontianite:           3.7053e-03 
+XCa:                     9.2096e-01 
+XSr:                     7.9044e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1406,11 +1407,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            82 
 SrCO3 added:             8.2000e-04 
-Log Sigma pi:           -8.3041e+00 
-XAragonite:              9.9613e-01 
-XStrontianite:           3.8691e-03 
-XCa:                     9.2428e-01 
-XSr:                     7.5721e-02 
+Log Sigma pi:           -8.3049e+00 
+XAragonite:              9.9624e-01 
+XStrontianite:           3.7565e-03 
+XCa:                     9.2001e-01 
+XSr:                     7.9988e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1419,11 +1420,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            83 
 SrCO3 added:             8.3000e-04 
-Log Sigma pi:           -8.3037e+00 
-XAragonite:              9.9608e-01 
-XStrontianite:           3.9221e-03 
-XCa:                     9.2338e-01 
-XSr:                     7.6617e-02 
+Log Sigma pi:           -8.3045e+00 
+XAragonite:              9.9619e-01 
+XStrontianite:           3.8079e-03 
+XCa:                     9.1907e-01 
+XSr:                     8.0931e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1432,11 +1433,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            84 
 SrCO3 added:             8.4000e-04 
-Log Sigma pi:           -8.3033e+00 
-XAragonite:              9.9602e-01 
-XStrontianite:           3.9753e-03 
-XCa:                     9.2249e-01 
-XSr:                     7.7511e-02 
+Log Sigma pi:           -8.3042e+00 
+XAragonite:              9.9614e-01 
+XStrontianite:           3.8595e-03 
+XCa:                     9.1813e-01 
+XSr:                     8.1874e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1445,11 +1446,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            85 
 SrCO3 added:             8.5000e-04 
-Log Sigma pi:           -8.3029e+00 
-XAragonite:              9.9597e-01 
-XStrontianite:           4.0286e-03 
-XCa:                     9.2159e-01 
-XSr:                     7.8406e-02 
+Log Sigma pi:           -8.3038e+00 
+XAragonite:              9.9609e-01 
+XStrontianite:           3.9111e-03 
+XCa:                     9.1718e-01 
+XSr:                     8.2816e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1458,11 +1459,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            86 
 SrCO3 added:             8.6000e-04 
-Log Sigma pi:           -8.3025e+00 
-XAragonite:              9.9592e-01 
-XStrontianite:           4.0821e-03 
-XCa:                     9.2070e-01 
-XSr:                     7.9299e-02 
+Log Sigma pi:           -8.3034e+00 
+XAragonite:              9.9604e-01 
+XStrontianite:           3.9630e-03 
+XCa:                     9.1624e-01 
+XSr:                     8.3757e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1471,11 +1472,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            87 
 SrCO3 added:             8.7000e-04 
-Log Sigma pi:           -8.3021e+00 
-XAragonite:              9.9586e-01 
-XStrontianite:           4.1358e-03 
-XCa:                     9.1981e-01 
-XSr:                     8.0192e-02 
+Log Sigma pi:           -8.3030e+00 
+XAragonite:              9.9599e-01 
+XStrontianite:           4.0150e-03 
+XCa:                     9.1530e-01 
+XSr:                     8.4698e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1484,11 +1485,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            88 
 SrCO3 added:             8.8000e-04 
-Log Sigma pi:           -8.3017e+00 
-XAragonite:              9.9581e-01 
-XStrontianite:           4.1896e-03 
-XCa:                     9.1892e-01 
-XSr:                     8.1084e-02 
+Log Sigma pi:           -8.3026e+00 
+XAragonite:              9.9593e-01 
+XStrontianite:           4.0672e-03 
+XCa:                     9.1436e-01 
+XSr:                     8.5638e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1497,11 +1498,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            89 
 SrCO3 added:             8.9000e-04 
-Log Sigma pi:           -8.3014e+00 
-XAragonite:              9.9576e-01 
-XStrontianite:           4.2435e-03 
-XCa:                     9.1802e-01 
-XSr:                     8.1975e-02 
+Log Sigma pi:           -8.3023e+00 
+XAragonite:              9.9588e-01 
+XStrontianite:           4.1195e-03 
+XCa:                     9.1342e-01 
+XSr:                     8.6576e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1510,11 +1511,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            90 
 SrCO3 added:             9.0000e-04 
-Log Sigma pi:           -8.3010e+00 
-XAragonite:              9.9570e-01 
-XStrontianite:           4.2977e-03 
-XCa:                     9.1713e-01 
-XSr:                     8.2866e-02 
+Log Sigma pi:           -8.3019e+00 
+XAragonite:              9.9583e-01 
+XStrontianite:           4.1719e-03 
+XCa:                     9.1249e-01 
+XSr:                     8.7515e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1523,11 +1524,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            91 
 SrCO3 added:             9.1000e-04 
-Log Sigma pi:           -8.3006e+00 
-XAragonite:              9.9565e-01 
-XStrontianite:           4.3520e-03 
-XCa:                     9.1624e-01 
-XSr:                     8.3756e-02 
+Log Sigma pi:           -8.3015e+00 
+XAragonite:              9.9578e-01 
+XStrontianite:           4.2246e-03 
+XCa:                     9.1155e-01 
+XSr:                     8.8452e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1536,11 +1537,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            92 
 SrCO3 added:             9.2000e-04 
-Log Sigma pi:           -8.3002e+00 
-XAragonite:              9.9559e-01 
-XStrontianite:           4.4064e-03 
-XCa:                     9.1535e-01 
-XSr:                     8.4645e-02 
+Log Sigma pi:           -8.3011e+00 
+XAragonite:              9.9572e-01 
+XStrontianite:           4.2774e-03 
+XCa:                     9.1061e-01 
+XSr:                     8.9389e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1549,11 +1550,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            93 
 SrCO3 added:             9.3000e-04 
-Log Sigma pi:           -8.2998e+00 
-XAragonite:              9.9554e-01 
-XStrontianite:           4.4611e-03 
-XCa:                     9.1447e-01 
-XSr:                     8.5534e-02 
+Log Sigma pi:           -8.3007e+00 
+XAragonite:              9.9567e-01 
+XStrontianite:           4.3303e-03 
+XCa:                     9.0968e-01 
+XSr:                     9.0324e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1562,11 +1563,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            94 
 SrCO3 added:             9.4000e-04 
-Log Sigma pi:           -8.2994e+00 
-XAragonite:              9.9548e-01 
-XStrontianite:           4.5159e-03 
-XCa:                     9.1358e-01 
-XSr:                     8.6422e-02 
+Log Sigma pi:           -8.3003e+00 
+XAragonite:              9.9562e-01 
+XStrontianite:           4.3834e-03 
+XCa:                     9.0874e-01 
+XSr:                     9.1260e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1575,11 +1576,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            95 
 SrCO3 added:             9.5000e-04 
-Log Sigma pi:           -8.2990e+00 
-XAragonite:              9.9543e-01 
-XStrontianite:           4.5708e-03 
-XCa:                     9.1269e-01 
-XSr:                     8.7309e-02 
+Log Sigma pi:           -8.3000e+00 
+XAragonite:              9.9556e-01 
+XStrontianite:           4.4367e-03 
+XCa:                     9.0781e-01 
+XSr:                     9.2194e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1588,11 +1589,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            96 
 SrCO3 added:             9.6000e-04 
-Log Sigma pi:           -8.2986e+00 
-XAragonite:              9.9537e-01 
-XStrontianite:           4.6260e-03 
-XCa:                     9.1180e-01 
-XSr:                     8.8196e-02 
+Log Sigma pi:           -8.2996e+00 
+XAragonite:              9.9551e-01 
+XStrontianite:           4.4901e-03 
+XCa:                     9.0687e-01 
+XSr:                     9.3127e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1601,11 +1602,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            97 
 SrCO3 added:             9.7000e-04 
-Log Sigma pi:           -8.2982e+00 
-XAragonite:              9.9532e-01 
-XStrontianite:           4.6813e-03 
-XCa:                     9.1092e-01 
-XSr:                     8.9082e-02 
+Log Sigma pi:           -8.2992e+00 
+XAragonite:              9.9546e-01 
+XStrontianite:           4.5437e-03 
+XCa:                     9.0594e-01 
+XSr:                     9.4060e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1614,11 +1615,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            98 
 SrCO3 added:             9.8000e-04 
-Log Sigma pi:           -8.2978e+00 
-XAragonite:              9.9526e-01 
-XStrontianite:           4.7368e-03 
-XCa:                     9.1003e-01 
-XSr:                     8.9967e-02 
+Log Sigma pi:           -8.2988e+00 
+XAragonite:              9.9540e-01 
+XStrontianite:           4.5975e-03 
+XCa:                     9.0501e-01 
+XSr:                     9.4992e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1627,11 +1628,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:            99 
 SrCO3 added:             9.9000e-04 
-Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.9521e-01 
-XStrontianite:           4.7924e-03 
-XCa:                     9.0915e-01 
-XSr:                     9.0852e-02 
+Log Sigma pi:           -8.2984e+00 
+XAragonite:              9.9535e-01 
+XStrontianite:           4.6514e-03 
+XCa:                     9.0408e-01 
+XSr:                     9.5924e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1640,11 +1641,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           100 
 SrCO3 added:             1.0000e-03 
-Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.8284e-01 
-XStrontianite:           1.7161e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+Log Sigma pi:           -8.2980e+00 
+XAragonite:              9.9529e-01 
+XStrontianite:           4.7055e-03 
+XCa:                     9.0315e-01 
+XSr:                     9.6854e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1653,11 +1654,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           101 
 SrCO3 added:             1.0100e-03 
-Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.6795e-01 
-XStrontianite:           3.2055e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+Log Sigma pi:           -8.2977e+00 
+XAragonite:              9.9524e-01 
+XStrontianite:           4.7598e-03 
+XCa:                     9.0222e-01 
+XSr:                     9.7784e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1667,10 +1668,10 @@ Simulation number:                4
 Reaction step number:           102 
 SrCO3 added:             1.0200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.5350e-01 
-XStrontianite:           4.6504e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.9210e-01 
+XStrontianite:           7.9009e-03 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1680,10 +1681,10 @@ Simulation number:                4
 Reaction step number:           103 
 SrCO3 added:             1.0300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.3947e-01 
-XStrontianite:           6.0528e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.7702e-01 
+XStrontianite:           2.2983e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1693,10 +1694,10 @@ Simulation number:                4
 Reaction step number:           104 
 SrCO3 added:             1.0400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.2585e-01 
-XStrontianite:           7.4146e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.6239e-01 
+XStrontianite:           3.7613e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1706,10 +1707,10 @@ Simulation number:                4
 Reaction step number:           105 
 SrCO3 added:             1.0500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              9.1263e-01 
-XStrontianite:           8.7374e-02 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.4819e-01 
+XStrontianite:           5.1812e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1719,10 +1720,10 @@ Simulation number:                4
 Reaction step number:           106 
 SrCO3 added:             1.0600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.9977e-01 
-XStrontianite:           1.0023e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.3440e-01 
+XStrontianite:           6.5598e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1732,10 +1733,10 @@ Simulation number:                4
 Reaction step number:           107 
 SrCO3 added:             1.0700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.8727e-01 
-XStrontianite:           1.1273e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.2101e-01 
+XStrontianite:           7.8988e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1745,10 +1746,10 @@ Simulation number:                4
 Reaction step number:           108 
 SrCO3 added:             1.0800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.7512e-01 
-XStrontianite:           1.2488e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              9.0800e-01 
+XStrontianite:           9.2000e-02 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1758,10 +1759,10 @@ Simulation number:                4
 Reaction step number:           109 
 SrCO3 added:             1.0900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.6329e-01 
-XStrontianite:           1.3671e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.9535e-01 
+XStrontianite:           1.0465e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1771,10 +1772,10 @@ Simulation number:                4
 Reaction step number:           110 
 SrCO3 added:             1.1000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.5178e-01 
-XStrontianite:           1.4822e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.8305e-01 
+XStrontianite:           1.1695e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1784,10 +1785,10 @@ Simulation number:                4
 Reaction step number:           111 
 SrCO3 added:             1.1100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.4057e-01 
-XStrontianite:           1.5943e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.7108e-01 
+XStrontianite:           1.2892e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1797,10 +1798,10 @@ Simulation number:                4
 Reaction step number:           112 
 SrCO3 added:             1.1200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.2965e-01 
-XStrontianite:           1.7035e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.5943e-01 
+XStrontianite:           1.4057e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1810,10 +1811,10 @@ Simulation number:                4
 Reaction step number:           113 
 SrCO3 added:             1.1300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.1901e-01 
-XStrontianite:           1.8099e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.4809e-01 
+XStrontianite:           1.5191e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1823,10 +1824,10 @@ Simulation number:                4
 Reaction step number:           114 
 SrCO3 added:             1.1400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              8.0864e-01 
-XStrontianite:           1.9136e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.3704e-01 
+XStrontianite:           1.6296e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1836,10 +1837,10 @@ Simulation number:                4
 Reaction step number:           115 
 SrCO3 added:             1.1500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.9853e-01 
-XStrontianite:           2.0147e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.2628e-01 
+XStrontianite:           1.7372e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1849,10 +1850,10 @@ Simulation number:                4
 Reaction step number:           116 
 SrCO3 added:             1.1600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.8867e-01 
-XStrontianite:           2.1133e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.1579e-01 
+XStrontianite:           1.8421e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1862,10 +1863,10 @@ Simulation number:                4
 Reaction step number:           117 
 SrCO3 added:             1.1700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.7905e-01 
-XStrontianite:           2.2095e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              8.0557e-01 
+XStrontianite:           1.9443e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1875,10 +1876,10 @@ Simulation number:                4
 Reaction step number:           118 
 SrCO3 added:             1.1800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.6967e-01 
-XStrontianite:           2.3033e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.9560e-01 
+XStrontianite:           2.0440e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1888,10 +1889,10 @@ Simulation number:                4
 Reaction step number:           119 
 SrCO3 added:             1.1900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.6050e-01 
-XStrontianite:           2.3950e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.8587e-01 
+XStrontianite:           2.1413e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1901,10 +1902,10 @@ Simulation number:                4
 Reaction step number:           120 
 SrCO3 added:             1.2000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.5155e-01 
-XStrontianite:           2.4845e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.7637e-01 
+XStrontianite:           2.2363e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1914,10 +1915,10 @@ Simulation number:                4
 Reaction step number:           121 
 SrCO3 added:             1.2100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.4281e-01 
-XStrontianite:           2.5719e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.6711e-01 
+XStrontianite:           2.3289e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1927,10 +1928,10 @@ Simulation number:                4
 Reaction step number:           122 
 SrCO3 added:             1.2200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.3428e-01 
-XStrontianite:           2.6572e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.5806e-01 
+XStrontianite:           2.4194e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1940,10 +1941,10 @@ Simulation number:                4
 Reaction step number:           123 
 SrCO3 added:             1.2300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.2593e-01 
-XStrontianite:           2.7407e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.4922e-01 
+XStrontianite:           2.5078e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1953,10 +1954,10 @@ Simulation number:                4
 Reaction step number:           124 
 SrCO3 added:             1.2400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.1777e-01 
-XStrontianite:           2.8223e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.4059e-01 
+XStrontianite:           2.5941e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1966,10 +1967,10 @@ Simulation number:                4
 Reaction step number:           125 
 SrCO3 added:             1.2500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.0980e-01 
-XStrontianite:           2.9020e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.3215e-01 
+XStrontianite:           2.6785e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1979,10 +1980,10 @@ Simulation number:                4
 Reaction step number:           126 
 SrCO3 added:             1.2600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              7.0200e-01 
-XStrontianite:           2.9800e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.2390e-01 
+XStrontianite:           2.7610e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -1992,10 +1993,10 @@ Simulation number:                4
 Reaction step number:           127 
 SrCO3 added:             1.2700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.9436e-01 
-XStrontianite:           3.0564e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.1584e-01 
+XStrontianite:           2.8416e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2005,10 +2006,10 @@ Simulation number:                4
 Reaction step number:           128 
 SrCO3 added:             1.2800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.8690e-01 
-XStrontianite:           3.1310e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.0796e-01 
+XStrontianite:           2.9204e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2018,10 +2019,10 @@ Simulation number:                4
 Reaction step number:           129 
 SrCO3 added:             1.2900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.7959e-01 
-XStrontianite:           3.2041e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              7.0024e-01 
+XStrontianite:           2.9976e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2031,10 +2032,10 @@ Simulation number:                4
 Reaction step number:           130 
 SrCO3 added:             1.3000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.7243e-01 
-XStrontianite:           3.2757e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.9270e-01 
+XStrontianite:           3.0730e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2044,10 +2045,10 @@ Simulation number:                4
 Reaction step number:           131 
 SrCO3 added:             1.3100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.6543e-01 
-XStrontianite:           3.3457e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.8531e-01 
+XStrontianite:           3.1469e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2057,10 +2058,10 @@ Simulation number:                4
 Reaction step number:           132 
 SrCO3 added:             1.3200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.5857e-01 
-XStrontianite:           3.4143e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.7808e-01 
+XStrontianite:           3.2192e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2070,10 +2071,10 @@ Simulation number:                4
 Reaction step number:           133 
 SrCO3 added:             1.3300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.5185e-01 
-XStrontianite:           3.4815e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.7100e-01 
+XStrontianite:           3.2900e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2083,10 +2084,10 @@ Simulation number:                4
 Reaction step number:           134 
 SrCO3 added:             1.3400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.4526e-01 
-XStrontianite:           3.5474e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.6407e-01 
+XStrontianite:           3.3593e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2096,10 +2097,10 @@ Simulation number:                4
 Reaction step number:           135 
 SrCO3 added:             1.3500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.3881e-01 
-XStrontianite:           3.6119e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.5727e-01 
+XStrontianite:           3.4273e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2109,10 +2110,10 @@ Simulation number:                4
 Reaction step number:           136 
 SrCO3 added:             1.3600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.3248e-01 
-XStrontianite:           3.6752e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.5062e-01 
+XStrontianite:           3.4938e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2122,10 +2123,10 @@ Simulation number:                4
 Reaction step number:           137 
 SrCO3 added:             1.3700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.2628e-01 
-XStrontianite:           3.7372e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.4410e-01 
+XStrontianite:           3.5590e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2135,10 +2136,10 @@ Simulation number:                4
 Reaction step number:           138 
 SrCO3 added:             1.3800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.2020e-01 
-XStrontianite:           3.7980e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.3771e-01 
+XStrontianite:           3.6229e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2148,10 +2149,10 @@ Simulation number:                4
 Reaction step number:           139 
 SrCO3 added:             1.3900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.1424e-01 
-XStrontianite:           3.8576e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.3144e-01 
+XStrontianite:           3.6856e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2161,10 +2162,10 @@ Simulation number:                4
 Reaction step number:           140 
 SrCO3 added:             1.4000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.0839e-01 
-XStrontianite:           3.9161e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.2530e-01 
+XStrontianite:           3.7470e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2174,10 +2175,10 @@ Simulation number:                4
 Reaction step number:           141 
 SrCO3 added:             1.4100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              6.0265e-01 
-XStrontianite:           3.9735e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.1927e-01 
+XStrontianite:           3.8073e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2187,10 +2188,10 @@ Simulation number:                4
 Reaction step number:           142 
 SrCO3 added:             1.4200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.9701e-01 
-XStrontianite:           4.0299e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.1336e-01 
+XStrontianite:           3.8664e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2200,10 +2201,10 @@ Simulation number:                4
 Reaction step number:           143 
 SrCO3 added:             1.4300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.9149e-01 
-XStrontianite:           4.0851e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.0757e-01 
+XStrontianite:           3.9243e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2213,10 +2214,10 @@ Simulation number:                4
 Reaction step number:           144 
 SrCO3 added:             1.4400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.8606e-01 
-XStrontianite:           4.1394e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              6.0188e-01 
+XStrontianite:           3.9812e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2226,10 +2227,10 @@ Simulation number:                4
 Reaction step number:           145 
 SrCO3 added:             1.4500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.8073e-01 
-XStrontianite:           4.1927e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.9629e-01 
+XStrontianite:           4.0371e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2239,10 +2240,10 @@ Simulation number:                4
 Reaction step number:           146 
 SrCO3 added:             1.4600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.7550e-01 
-XStrontianite:           4.2450e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.9081e-01 
+XStrontianite:           4.0919e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2252,10 +2253,10 @@ Simulation number:                4
 Reaction step number:           147 
 SrCO3 added:             1.4700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.7036e-01 
-XStrontianite:           4.2964e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.8543e-01 
+XStrontianite:           4.1457e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2265,10 +2266,10 @@ Simulation number:                4
 Reaction step number:           148 
 SrCO3 added:             1.4800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.6531e-01 
-XStrontianite:           4.3469e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.8014e-01 
+XStrontianite:           4.1986e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2278,10 +2279,10 @@ Simulation number:                4
 Reaction step number:           149 
 SrCO3 added:             1.4900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.6035e-01 
-XStrontianite:           4.3965e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.7495e-01 
+XStrontianite:           4.2505e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2291,10 +2292,10 @@ Simulation number:                4
 Reaction step number:           150 
 SrCO3 added:             1.5000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.5548e-01 
-XStrontianite:           4.4452e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.6986e-01 
+XStrontianite:           4.3014e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2304,10 +2305,10 @@ Simulation number:                4
 Reaction step number:           151 
 SrCO3 added:             1.5100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.5069e-01 
-XStrontianite:           4.4931e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.6485e-01 
+XStrontianite:           4.3515e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2317,10 +2318,10 @@ Simulation number:                4
 Reaction step number:           152 
 SrCO3 added:             1.5200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.4598e-01 
-XStrontianite:           4.5402e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.5993e-01 
+XStrontianite:           4.4007e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2330,10 +2331,10 @@ Simulation number:                4
 Reaction step number:           153 
 SrCO3 added:             1.5300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.4136e-01 
-XStrontianite:           4.5864e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.5509e-01 
+XStrontianite:           4.4491e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2343,10 +2344,10 @@ Simulation number:                4
 Reaction step number:           154 
 SrCO3 added:             1.5400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.3681e-01 
-XStrontianite:           4.6319e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.5034e-01 
+XStrontianite:           4.4966e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2356,10 +2357,10 @@ Simulation number:                4
 Reaction step number:           155 
 SrCO3 added:             1.5500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.3233e-01 
-XStrontianite:           4.6767e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.4566e-01 
+XStrontianite:           4.5434e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2369,10 +2370,10 @@ Simulation number:                4
 Reaction step number:           156 
 SrCO3 added:             1.5600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.2793e-01 
-XStrontianite:           4.7207e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.4107e-01 
+XStrontianite:           4.5893e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2382,10 +2383,10 @@ Simulation number:                4
 Reaction step number:           157 
 SrCO3 added:             1.5700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.2360e-01 
-XStrontianite:           4.7640e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.3655e-01 
+XStrontianite:           4.6345e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2395,10 +2396,10 @@ Simulation number:                4
 Reaction step number:           158 
 SrCO3 added:             1.5800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.1935e-01 
-XStrontianite:           4.8065e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.3211e-01 
+XStrontianite:           4.6789e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2408,10 +2409,10 @@ Simulation number:                4
 Reaction step number:           159 
 SrCO3 added:             1.5900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.1516e-01 
-XStrontianite:           4.8484e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.2774e-01 
+XStrontianite:           4.7226e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2421,10 +2422,10 @@ Simulation number:                4
 Reaction step number:           160 
 SrCO3 added:             1.6000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.1104e-01 
-XStrontianite:           4.8896e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.2344e-01 
+XStrontianite:           4.7656e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2434,10 +2435,10 @@ Simulation number:                4
 Reaction step number:           161 
 SrCO3 added:             1.6100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.0698e-01 
-XStrontianite:           4.9302e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.1921e-01 
+XStrontianite:           4.8079e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2447,10 +2448,10 @@ Simulation number:                4
 Reaction step number:           162 
 SrCO3 added:             1.6200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              5.0299e-01 
-XStrontianite:           4.9701e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.1505e-01 
+XStrontianite:           4.8495e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2460,10 +2461,10 @@ Simulation number:                4
 Reaction step number:           163 
 SrCO3 added:             1.6300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.9906e-01 
-XStrontianite:           5.0094e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.1096e-01 
+XStrontianite:           4.8904e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2473,10 +2474,10 @@ Simulation number:                4
 Reaction step number:           164 
 SrCO3 added:             1.6400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.9519e-01 
-XStrontianite:           5.0481e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.0693e-01 
+XStrontianite:           4.9307e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2486,10 +2487,10 @@ Simulation number:                4
 Reaction step number:           165 
 SrCO3 added:             1.6500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.9138e-01 
-XStrontianite:           5.0862e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              5.0296e-01 
+XStrontianite:           4.9704e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2499,10 +2500,10 @@ Simulation number:                4
 Reaction step number:           166 
 SrCO3 added:             1.6600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.8763e-01 
-XStrontianite:           5.1237e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.9906e-01 
+XStrontianite:           5.0094e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2512,10 +2513,10 @@ Simulation number:                4
 Reaction step number:           167 
 SrCO3 added:             1.6700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.8393e-01 
-XStrontianite:           5.1607e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.9521e-01 
+XStrontianite:           5.0479e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2525,10 +2526,10 @@ Simulation number:                4
 Reaction step number:           168 
 SrCO3 added:             1.6800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.8030e-01 
-XStrontianite:           5.1970e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.9142e-01 
+XStrontianite:           5.0858e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2538,10 +2539,10 @@ Simulation number:                4
 Reaction step number:           169 
 SrCO3 added:             1.6900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.7671e-01 
-XStrontianite:           5.2329e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.8769e-01 
+XStrontianite:           5.1231e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2551,10 +2552,10 @@ Simulation number:                4
 Reaction step number:           170 
 SrCO3 added:             1.7000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.7318e-01 
-XStrontianite:           5.2682e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.8402e-01 
+XStrontianite:           5.1598e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2564,10 +2565,10 @@ Simulation number:                4
 Reaction step number:           171 
 SrCO3 added:             1.7100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.6970e-01 
-XStrontianite:           5.3030e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.8040e-01 
+XStrontianite:           5.1960e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2577,10 +2578,10 @@ Simulation number:                4
 Reaction step number:           172 
 SrCO3 added:             1.7200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.6627e-01 
-XStrontianite:           5.3373e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.7684e-01 
+XStrontianite:           5.2316e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2590,10 +2591,10 @@ Simulation number:                4
 Reaction step number:           173 
 SrCO3 added:             1.7300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.6289e-01 
-XStrontianite:           5.3711e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.7333e-01 
+XStrontianite:           5.2667e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2603,10 +2604,10 @@ Simulation number:                4
 Reaction step number:           174 
 SrCO3 added:             1.7400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.5956e-01 
-XStrontianite:           5.4044e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.6987e-01 
+XStrontianite:           5.3013e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2616,10 +2617,10 @@ Simulation number:                4
 Reaction step number:           175 
 SrCO3 added:             1.7500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.5628e-01 
-XStrontianite:           5.4372e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.6646e-01 
+XStrontianite:           5.3354e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2629,10 +2630,10 @@ Simulation number:                4
 Reaction step number:           176 
 SrCO3 added:             1.7600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.5304e-01 
-XStrontianite:           5.4696e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.6310e-01 
+XStrontianite:           5.3690e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2642,10 +2643,10 @@ Simulation number:                4
 Reaction step number:           177 
 SrCO3 added:             1.7700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.4985e-01 
-XStrontianite:           5.5015e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.5978e-01 
+XStrontianite:           5.4022e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2655,10 +2656,10 @@ Simulation number:                4
 Reaction step number:           178 
 SrCO3 added:             1.7800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.4671e-01 
-XStrontianite:           5.5329e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.5652e-01 
+XStrontianite:           5.4348e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2668,10 +2669,10 @@ Simulation number:                4
 Reaction step number:           179 
 SrCO3 added:             1.7900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.4360e-01 
-XStrontianite:           5.5640e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.5330e-01 
+XStrontianite:           5.4670e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2681,10 +2682,10 @@ Simulation number:                4
 Reaction step number:           180 
 SrCO3 added:             1.8000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.4054e-01 
-XStrontianite:           5.5946e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.5012e-01 
+XStrontianite:           5.4988e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2694,10 +2695,10 @@ Simulation number:                4
 Reaction step number:           181 
 SrCO3 added:             1.8100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.3753e-01 
-XStrontianite:           5.6247e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.4699e-01 
+XStrontianite:           5.5301e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2707,10 +2708,10 @@ Simulation number:                4
 Reaction step number:           182 
 SrCO3 added:             1.8200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.3455e-01 
-XStrontianite:           5.6545e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.4390e-01 
+XStrontianite:           5.5610e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2720,10 +2721,10 @@ Simulation number:                4
 Reaction step number:           183 
 SrCO3 added:             1.8300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.3161e-01 
-XStrontianite:           5.6839e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.4086e-01 
+XStrontianite:           5.5914e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2733,10 +2734,10 @@ Simulation number:                4
 Reaction step number:           184 
 SrCO3 added:             1.8400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.2872e-01 
-XStrontianite:           5.7128e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.3786e-01 
+XStrontianite:           5.6214e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2746,10 +2747,10 @@ Simulation number:                4
 Reaction step number:           185 
 SrCO3 added:             1.8500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.2586e-01 
-XStrontianite:           5.7414e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.3489e-01 
+XStrontianite:           5.6511e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2759,10 +2760,10 @@ Simulation number:                4
 Reaction step number:           186 
 SrCO3 added:             1.8600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.2304e-01 
-XStrontianite:           5.7696e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.3197e-01 
+XStrontianite:           5.6803e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2772,10 +2773,10 @@ Simulation number:                4
 Reaction step number:           187 
 SrCO3 added:             1.8700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.2025e-01 
-XStrontianite:           5.7975e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.2909e-01 
+XStrontianite:           5.7091e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2785,10 +2786,10 @@ Simulation number:                4
 Reaction step number:           188 
 SrCO3 added:             1.8800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.1751e-01 
-XStrontianite:           5.8249e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.2624e-01 
+XStrontianite:           5.7376e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2798,10 +2799,10 @@ Simulation number:                4
 Reaction step number:           189 
 SrCO3 added:             1.8900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.1480e-01 
-XStrontianite:           5.8520e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.2343e-01 
+XStrontianite:           5.7657e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2811,10 +2812,10 @@ Simulation number:                4
 Reaction step number:           190 
 SrCO3 added:             1.9000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.1212e-01 
-XStrontianite:           5.8788e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.2066e-01 
+XStrontianite:           5.7934e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2824,10 +2825,10 @@ Simulation number:                4
 Reaction step number:           191 
 SrCO3 added:             1.9100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.0948e-01 
-XStrontianite:           5.9052e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.1792e-01 
+XStrontianite:           5.8208e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2837,10 +2838,10 @@ Simulation number:                4
 Reaction step number:           192 
 SrCO3 added:             1.9200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.0687e-01 
-XStrontianite:           5.9313e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.1522e-01 
+XStrontianite:           5.8478e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2850,10 +2851,10 @@ Simulation number:                4
 Reaction step number:           193 
 SrCO3 added:             1.9300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.0429e-01 
-XStrontianite:           5.9571e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.1256e-01 
+XStrontianite:           5.8744e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2863,10 +2864,10 @@ Simulation number:                4
 Reaction step number:           194 
 SrCO3 added:             1.9400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              4.0175e-01 
-XStrontianite:           5.9825e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.0993e-01 
+XStrontianite:           5.9007e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2876,10 +2877,10 @@ Simulation number:                4
 Reaction step number:           195 
 SrCO3 added:             1.9500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.9924e-01 
-XStrontianite:           6.0076e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.0733e-01 
+XStrontianite:           5.9267e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2889,10 +2890,10 @@ Simulation number:                4
 Reaction step number:           196 
 SrCO3 added:             1.9600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.9676e-01 
-XStrontianite:           6.0324e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.0476e-01 
+XStrontianite:           5.9524e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2902,10 +2903,10 @@ Simulation number:                4
 Reaction step number:           197 
 SrCO3 added:             1.9700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.9431e-01 
-XStrontianite:           6.0569e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              4.0223e-01 
+XStrontianite:           5.9777e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2915,10 +2916,10 @@ Simulation number:                4
 Reaction step number:           198 
 SrCO3 added:             1.9800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.9189e-01 
-XStrontianite:           6.0811e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.9973e-01 
+XStrontianite:           6.0027e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2928,10 +2929,10 @@ Simulation number:                4
 Reaction step number:           199 
 SrCO3 added:             1.9900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.8950e-01 
-XStrontianite:           6.1050e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.9726e-01 
+XStrontianite:           6.0274e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2941,10 +2942,10 @@ Simulation number:                4
 Reaction step number:           200 
 SrCO3 added:             2.0000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.8714e-01 
-XStrontianite:           6.1286e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.9482e-01 
+XStrontianite:           6.0518e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2954,10 +2955,10 @@ Simulation number:                4
 Reaction step number:           201 
 SrCO3 added:             2.0100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.8481e-01 
-XStrontianite:           6.1519e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.9241e-01 
+XStrontianite:           6.0759e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2967,10 +2968,10 @@ Simulation number:                4
 Reaction step number:           202 
 SrCO3 added:             2.0200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.8250e-01 
-XStrontianite:           6.1750e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.9003e-01 
+XStrontianite:           6.0997e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2980,10 +2981,10 @@ Simulation number:                4
 Reaction step number:           203 
 SrCO3 added:             2.0300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.8023e-01 
-XStrontianite:           6.1977e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.8767e-01 
+XStrontianite:           6.1233e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -2993,10 +2994,10 @@ Simulation number:                4
 Reaction step number:           204 
 SrCO3 added:             2.0400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.7798e-01 
-XStrontianite:           6.2202e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.8535e-01 
+XStrontianite:           6.1465e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3006,10 +3007,10 @@ Simulation number:                4
 Reaction step number:           205 
 SrCO3 added:             2.0500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.7575e-01 
-XStrontianite:           6.2425e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.8305e-01 
+XStrontianite:           6.1695e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3019,10 +3020,10 @@ Simulation number:                4
 Reaction step number:           206 
 SrCO3 added:             2.0600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.7356e-01 
-XStrontianite:           6.2644e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.8078e-01 
+XStrontianite:           6.1922e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3032,10 +3033,10 @@ Simulation number:                4
 Reaction step number:           207 
 SrCO3 added:             2.0700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.7138e-01 
-XStrontianite:           6.2862e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.7854e-01 
+XStrontianite:           6.2146e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3045,10 +3046,10 @@ Simulation number:                4
 Reaction step number:           208 
 SrCO3 added:             2.0800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.6924e-01 
-XStrontianite:           6.3076e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.7632e-01 
+XStrontianite:           6.2368e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3058,10 +3059,10 @@ Simulation number:                4
 Reaction step number:           209 
 SrCO3 added:             2.0900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.6712e-01 
-XStrontianite:           6.3288e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.7413e-01 
+XStrontianite:           6.2587e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3071,10 +3072,10 @@ Simulation number:                4
 Reaction step number:           210 
 SrCO3 added:             2.1000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.6502e-01 
-XStrontianite:           6.3498e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.7197e-01 
+XStrontianite:           6.2803e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3084,10 +3085,10 @@ Simulation number:                4
 Reaction step number:           211 
 SrCO3 added:             2.1100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.6294e-01 
-XStrontianite:           6.3706e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.6983e-01 
+XStrontianite:           6.3017e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3097,10 +3098,10 @@ Simulation number:                4
 Reaction step number:           212 
 SrCO3 added:             2.1200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.6089e-01 
-XStrontianite:           6.3911e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.6771e-01 
+XStrontianite:           6.3229e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3110,10 +3111,10 @@ Simulation number:                4
 Reaction step number:           213 
 SrCO3 added:             2.1300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.5887e-01 
-XStrontianite:           6.4113e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.6562e-01 
+XStrontianite:           6.3438e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3123,10 +3124,10 @@ Simulation number:                4
 Reaction step number:           214 
 SrCO3 added:             2.1400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.5686e-01 
-XStrontianite:           6.4314e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.6355e-01 
+XStrontianite:           6.3645e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3136,10 +3137,10 @@ Simulation number:                4
 Reaction step number:           215 
 SrCO3 added:             2.1500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.5488e-01 
-XStrontianite:           6.4512e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.6151e-01 
+XStrontianite:           6.3849e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3149,10 +3150,10 @@ Simulation number:                4
 Reaction step number:           216 
 SrCO3 added:             2.1600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.5292e-01 
-XStrontianite:           6.4708e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.5948e-01 
+XStrontianite:           6.4052e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3162,10 +3163,10 @@ Simulation number:                4
 Reaction step number:           217 
 SrCO3 added:             2.1700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.5098e-01 
-XStrontianite:           6.4902e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.5748e-01 
+XStrontianite:           6.4252e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3175,10 +3176,10 @@ Simulation number:                4
 Reaction step number:           218 
 SrCO3 added:             2.1800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.4906e-01 
-XStrontianite:           6.5094e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.5551e-01 
+XStrontianite:           6.4449e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3188,10 +3189,10 @@ Simulation number:                4
 Reaction step number:           219 
 SrCO3 added:             2.1900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.4716e-01 
-XStrontianite:           6.5284e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.5355e-01 
+XStrontianite:           6.4645e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3201,10 +3202,10 @@ Simulation number:                4
 Reaction step number:           220 
 SrCO3 added:             2.2000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.4529e-01 
-XStrontianite:           6.5471e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.5162e-01 
+XStrontianite:           6.4838e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3214,10 +3215,10 @@ Simulation number:                4
 Reaction step number:           221 
 SrCO3 added:             2.2100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.4343e-01 
-XStrontianite:           6.5657e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4970e-01 
+XStrontianite:           6.5030e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3227,10 +3228,10 @@ Simulation number:                4
 Reaction step number:           222 
 SrCO3 added:             2.2200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.4159e-01 
-XStrontianite:           6.5841e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4781e-01 
+XStrontianite:           6.5219e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3240,10 +3241,10 @@ Simulation number:                4
 Reaction step number:           223 
 SrCO3 added:             2.2300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3978e-01 
-XStrontianite:           6.6022e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4594e-01 
+XStrontianite:           6.5406e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3253,10 +3254,10 @@ Simulation number:                4
 Reaction step number:           224 
 SrCO3 added:             2.2400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3798e-01 
-XStrontianite:           6.6202e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4409e-01 
+XStrontianite:           6.5591e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3266,10 +3267,10 @@ Simulation number:                4
 Reaction step number:           225 
 SrCO3 added:             2.2500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3620e-01 
-XStrontianite:           6.6380e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4225e-01 
+XStrontianite:           6.5775e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3279,10 +3280,10 @@ Simulation number:                4
 Reaction step number:           226 
 SrCO3 added:             2.2600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3444e-01 
-XStrontianite:           6.6556e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.4044e-01 
+XStrontianite:           6.5956e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3292,10 +3293,10 @@ Simulation number:                4
 Reaction step number:           227 
 SrCO3 added:             2.2700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3270e-01 
-XStrontianite:           6.6730e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.3865e-01 
+XStrontianite:           6.6135e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3305,10 +3306,10 @@ Simulation number:                4
 Reaction step number:           228 
 SrCO3 added:             2.2800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.3097e-01 
-XStrontianite:           6.6903e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.3687e-01 
+XStrontianite:           6.6313e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3318,10 +3319,10 @@ Simulation number:                4
 Reaction step number:           229 
 SrCO3 added:             2.2900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2927e-01 
-XStrontianite:           6.7073e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.3512e-01 
+XStrontianite:           6.6488e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3331,10 +3332,10 @@ Simulation number:                4
 Reaction step number:           230 
 SrCO3 added:             2.3000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2758e-01 
-XStrontianite:           6.7242e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.3338e-01 
+XStrontianite:           6.6662e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3344,10 +3345,10 @@ Simulation number:                4
 Reaction step number:           231 
 SrCO3 added:             2.3100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2591e-01 
-XStrontianite:           6.7409e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.3166e-01 
+XStrontianite:           6.6834e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3357,10 +3358,10 @@ Simulation number:                4
 Reaction step number:           232 
 SrCO3 added:             2.3200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2425e-01 
-XStrontianite:           6.7575e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2995e-01 
+XStrontianite:           6.7005e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3370,10 +3371,10 @@ Simulation number:                4
 Reaction step number:           233 
 SrCO3 added:             2.3300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2261e-01 
-XStrontianite:           6.7739e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2827e-01 
+XStrontianite:           6.7173e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3383,10 +3384,10 @@ Simulation number:                4
 Reaction step number:           234 
 SrCO3 added:             2.3400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.2099e-01 
-XStrontianite:           6.7901e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2660e-01 
+XStrontianite:           6.7340e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3396,10 +3397,10 @@ Simulation number:                4
 Reaction step number:           235 
 SrCO3 added:             2.3500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1939e-01 
-XStrontianite:           6.8061e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2495e-01 
+XStrontianite:           6.7505e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3409,10 +3410,10 @@ Simulation number:                4
 Reaction step number:           236 
 SrCO3 added:             2.3600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1780e-01 
-XStrontianite:           6.8220e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2331e-01 
+XStrontianite:           6.7669e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3422,10 +3423,10 @@ Simulation number:                4
 Reaction step number:           237 
 SrCO3 added:             2.3700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1623e-01 
-XStrontianite:           6.8377e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2170e-01 
+XStrontianite:           6.7830e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3435,10 +3436,10 @@ Simulation number:                4
 Reaction step number:           238 
 SrCO3 added:             2.3800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1467e-01 
-XStrontianite:           6.8533e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.2009e-01 
+XStrontianite:           6.7991e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3448,10 +3449,10 @@ Simulation number:                4
 Reaction step number:           239 
 SrCO3 added:             2.3900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1313e-01 
-XStrontianite:           6.8687e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1851e-01 
+XStrontianite:           6.8149e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3461,10 +3462,10 @@ Simulation number:                4
 Reaction step number:           240 
 SrCO3 added:             2.4000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1160e-01 
-XStrontianite:           6.8840e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1694e-01 
+XStrontianite:           6.8306e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3474,10 +3475,10 @@ Simulation number:                4
 Reaction step number:           241 
 SrCO3 added:             2.4100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.1009e-01 
-XStrontianite:           6.8991e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1538e-01 
+XStrontianite:           6.8462e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3487,10 +3488,10 @@ Simulation number:                4
 Reaction step number:           242 
 SrCO3 added:             2.4200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0859e-01 
-XStrontianite:           6.9141e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1384e-01 
+XStrontianite:           6.8616e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3500,10 +3501,10 @@ Simulation number:                4
 Reaction step number:           243 
 SrCO3 added:             2.4300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0710e-01 
-XStrontianite:           6.9290e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1232e-01 
+XStrontianite:           6.8768e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3513,10 +3514,10 @@ Simulation number:                4
 Reaction step number:           244 
 SrCO3 added:             2.4400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0563e-01 
-XStrontianite:           6.9437e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.1081e-01 
+XStrontianite:           6.8919e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3526,10 +3527,10 @@ Simulation number:                4
 Reaction step number:           245 
 SrCO3 added:             2.4500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0418e-01 
-XStrontianite:           6.9582e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0931e-01 
+XStrontianite:           6.9069e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3539,10 +3540,10 @@ Simulation number:                4
 Reaction step number:           246 
 SrCO3 added:             2.4600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0274e-01 
-XStrontianite:           6.9726e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0783e-01 
+XStrontianite:           6.9217e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3552,10 +3553,10 @@ Simulation number:                4
 Reaction step number:           247 
 SrCO3 added:             2.4700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              3.0131e-01 
-XStrontianite:           6.9869e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0636e-01 
+XStrontianite:           6.9364e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3565,10 +3566,10 @@ Simulation number:                4
 Reaction step number:           248 
 SrCO3 added:             2.4800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9989e-01 
-XStrontianite:           7.0011e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0491e-01 
+XStrontianite:           6.9509e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3578,10 +3579,10 @@ Simulation number:                4
 Reaction step number:           249 
 SrCO3 added:             2.4900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9849e-01 
-XStrontianite:           7.0151e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0347e-01 
+XStrontianite:           6.9653e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3591,10 +3592,10 @@ Simulation number:                4
 Reaction step number:           250 
 SrCO3 added:             2.5000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9710e-01 
-XStrontianite:           7.0290e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0204e-01 
+XStrontianite:           6.9796e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3604,10 +3605,10 @@ Simulation number:                4
 Reaction step number:           251 
 SrCO3 added:             2.5100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9573e-01 
-XStrontianite:           7.0427e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              3.0063e-01 
+XStrontianite:           6.9937e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3617,10 +3618,10 @@ Simulation number:                4
 Reaction step number:           252 
 SrCO3 added:             2.5200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9437e-01 
-XStrontianite:           7.0563e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9923e-01 
+XStrontianite:           7.0077e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3630,10 +3631,10 @@ Simulation number:                4
 Reaction step number:           253 
 SrCO3 added:             2.5300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9302e-01 
-XStrontianite:           7.0698e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9784e-01 
+XStrontianite:           7.0216e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3643,10 +3644,10 @@ Simulation number:                4
 Reaction step number:           254 
 SrCO3 added:             2.5400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9168e-01 
-XStrontianite:           7.0832e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9647e-01 
+XStrontianite:           7.0353e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3656,10 +3657,10 @@ Simulation number:                4
 Reaction step number:           255 
 SrCO3 added:             2.5500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.9035e-01 
-XStrontianite:           7.0965e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9511e-01 
+XStrontianite:           7.0489e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3669,10 +3670,10 @@ Simulation number:                4
 Reaction step number:           256 
 SrCO3 added:             2.5600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8904e-01 
-XStrontianite:           7.1096e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9376e-01 
+XStrontianite:           7.0624e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3682,10 +3683,10 @@ Simulation number:                4
 Reaction step number:           257 
 SrCO3 added:             2.5700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8774e-01 
-XStrontianite:           7.1226e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9242e-01 
+XStrontianite:           7.0758e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3695,10 +3696,10 @@ Simulation number:                4
 Reaction step number:           258 
 SrCO3 added:             2.5800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8645e-01 
-XStrontianite:           7.1355e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.9110e-01 
+XStrontianite:           7.0890e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3708,10 +3709,10 @@ Simulation number:                4
 Reaction step number:           259 
 SrCO3 added:             2.5900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8517e-01 
-XStrontianite:           7.1483e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8978e-01 
+XStrontianite:           7.1022e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3721,10 +3722,10 @@ Simulation number:                4
 Reaction step number:           260 
 SrCO3 added:             2.6000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8390e-01 
-XStrontianite:           7.1610e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8848e-01 
+XStrontianite:           7.1152e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3734,10 +3735,10 @@ Simulation number:                4
 Reaction step number:           261 
 SrCO3 added:             2.6100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8264e-01 
-XStrontianite:           7.1736e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8719e-01 
+XStrontianite:           7.1281e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3747,10 +3748,10 @@ Simulation number:                4
 Reaction step number:           262 
 SrCO3 added:             2.6200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8140e-01 
-XStrontianite:           7.1860e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8592e-01 
+XStrontianite:           7.1408e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3760,10 +3761,10 @@ Simulation number:                4
 Reaction step number:           263 
 SrCO3 added:             2.6300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.8016e-01 
-XStrontianite:           7.1984e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8465e-01 
+XStrontianite:           7.1535e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3773,10 +3774,10 @@ Simulation number:                4
 Reaction step number:           264 
 SrCO3 added:             2.6400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7894e-01 
-XStrontianite:           7.2106e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8340e-01 
+XStrontianite:           7.1660e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3786,10 +3787,10 @@ Simulation number:                4
 Reaction step number:           265 
 SrCO3 added:             2.6500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7773e-01 
-XStrontianite:           7.2227e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8215e-01 
+XStrontianite:           7.1785e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3799,10 +3800,10 @@ Simulation number:                4
 Reaction step number:           266 
 SrCO3 added:             2.6600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7652e-01 
-XStrontianite:           7.2348e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.8092e-01 
+XStrontianite:           7.1908e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3812,10 +3813,10 @@ Simulation number:                4
 Reaction step number:           267 
 SrCO3 added:             2.6700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7533e-01 
-XStrontianite:           7.2467e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7970e-01 
+XStrontianite:           7.2030e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3825,10 +3826,10 @@ Simulation number:                4
 Reaction step number:           268 
 SrCO3 added:             2.6800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7415e-01 
-XStrontianite:           7.2585e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7848e-01 
+XStrontianite:           7.2152e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3838,10 +3839,10 @@ Simulation number:                4
 Reaction step number:           269 
 SrCO3 added:             2.6900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7298e-01 
-XStrontianite:           7.2702e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7728e-01 
+XStrontianite:           7.2272e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3851,10 +3852,10 @@ Simulation number:                4
 Reaction step number:           270 
 SrCO3 added:             2.7000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7182e-01 
-XStrontianite:           7.2818e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7609e-01 
+XStrontianite:           7.2391e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3864,10 +3865,10 @@ Simulation number:                4
 Reaction step number:           271 
 SrCO3 added:             2.7100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.7067e-01 
-XStrontianite:           7.2933e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7491e-01 
+XStrontianite:           7.2509e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3877,10 +3878,10 @@ Simulation number:                4
 Reaction step number:           272 
 SrCO3 added:             2.7200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6952e-01 
-XStrontianite:           7.3048e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7374e-01 
+XStrontianite:           7.2626e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3890,10 +3891,10 @@ Simulation number:                4
 Reaction step number:           273 
 SrCO3 added:             2.7300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6839e-01 
-XStrontianite:           7.3161e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7258e-01 
+XStrontianite:           7.2742e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3903,10 +3904,10 @@ Simulation number:                4
 Reaction step number:           274 
 SrCO3 added:             2.7400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6727e-01 
-XStrontianite:           7.3273e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7143e-01 
+XStrontianite:           7.2857e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3916,10 +3917,10 @@ Simulation number:                4
 Reaction step number:           275 
 SrCO3 added:             2.7500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6615e-01 
-XStrontianite:           7.3385e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.7029e-01 
+XStrontianite:           7.2971e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3929,10 +3930,10 @@ Simulation number:                4
 Reaction step number:           276 
 SrCO3 added:             2.7600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6505e-01 
-XStrontianite:           7.3495e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6915e-01 
+XStrontianite:           7.3085e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3942,10 +3943,10 @@ Simulation number:                4
 Reaction step number:           277 
 SrCO3 added:             2.7700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6395e-01 
-XStrontianite:           7.3605e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6803e-01 
+XStrontianite:           7.3197e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3955,10 +3956,10 @@ Simulation number:                4
 Reaction step number:           278 
 SrCO3 added:             2.7800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6287e-01 
-XStrontianite:           7.3713e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6692e-01 
+XStrontianite:           7.3308e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3968,10 +3969,10 @@ Simulation number:                4
 Reaction step number:           279 
 SrCO3 added:             2.7900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6179e-01 
-XStrontianite:           7.3821e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6581e-01 
+XStrontianite:           7.3419e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3981,10 +3982,10 @@ Simulation number:                4
 Reaction step number:           280 
 SrCO3 added:             2.8000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.6072e-01 
-XStrontianite:           7.3928e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6472e-01 
+XStrontianite:           7.3528e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -3994,10 +3995,10 @@ Simulation number:                4
 Reaction step number:           281 
 SrCO3 added:             2.8100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5966e-01 
-XStrontianite:           7.4034e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6363e-01 
+XStrontianite:           7.3637e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4007,10 +4008,10 @@ Simulation number:                4
 Reaction step number:           282 
 SrCO3 added:             2.8200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5861e-01 
-XStrontianite:           7.4139e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6256e-01 
+XStrontianite:           7.3744e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4020,10 +4021,10 @@ Simulation number:                4
 Reaction step number:           283 
 SrCO3 added:             2.8300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5757e-01 
-XStrontianite:           7.4243e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6149e-01 
+XStrontianite:           7.3851e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4033,10 +4034,10 @@ Simulation number:                4
 Reaction step number:           284 
 SrCO3 added:             2.8400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5653e-01 
-XStrontianite:           7.4347e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.6043e-01 
+XStrontianite:           7.3957e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4046,10 +4047,10 @@ Simulation number:                4
 Reaction step number:           285 
 SrCO3 added:             2.8500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5551e-01 
-XStrontianite:           7.4449e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5938e-01 
+XStrontianite:           7.4062e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4059,10 +4060,10 @@ Simulation number:                4
 Reaction step number:           286 
 SrCO3 added:             2.8600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5449e-01 
-XStrontianite:           7.4551e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5833e-01 
+XStrontianite:           7.4167e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4072,10 +4073,10 @@ Simulation number:                4
 Reaction step number:           287 
 SrCO3 added:             2.8700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5348e-01 
-XStrontianite:           7.4652e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5730e-01 
+XStrontianite:           7.4270e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4085,10 +4086,10 @@ Simulation number:                4
 Reaction step number:           288 
 SrCO3 added:             2.8800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5248e-01 
-XStrontianite:           7.4752e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5627e-01 
+XStrontianite:           7.4373e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4098,10 +4099,10 @@ Simulation number:                4
 Reaction step number:           289 
 SrCO3 added:             2.8900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5148e-01 
-XStrontianite:           7.4852e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5526e-01 
+XStrontianite:           7.4474e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4111,10 +4112,10 @@ Simulation number:                4
 Reaction step number:           290 
 SrCO3 added:             2.9000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.5050e-01 
-XStrontianite:           7.4950e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5425e-01 
+XStrontianite:           7.4575e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4124,10 +4125,10 @@ Simulation number:                4
 Reaction step number:           291 
 SrCO3 added:             2.9100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4952e-01 
-XStrontianite:           7.5048e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5324e-01 
+XStrontianite:           7.4676e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4137,10 +4138,10 @@ Simulation number:                4
 Reaction step number:           292 
 SrCO3 added:             2.9200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4855e-01 
-XStrontianite:           7.5145e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5225e-01 
+XStrontianite:           7.4775e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4150,10 +4151,10 @@ Simulation number:                4
 Reaction step number:           293 
 SrCO3 added:             2.9300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4758e-01 
-XStrontianite:           7.5242e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5126e-01 
+XStrontianite:           7.4874e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4163,10 +4164,10 @@ Simulation number:                4
 Reaction step number:           294 
 SrCO3 added:             2.9400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4663e-01 
-XStrontianite:           7.5337e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.5029e-01 
+XStrontianite:           7.4971e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4176,10 +4177,10 @@ Simulation number:                4
 Reaction step number:           295 
 SrCO3 added:             2.9500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4568e-01 
-XStrontianite:           7.5432e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4932e-01 
+XStrontianite:           7.5068e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4189,10 +4190,10 @@ Simulation number:                4
 Reaction step number:           296 
 SrCO3 added:             2.9600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4474e-01 
-XStrontianite:           7.5526e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4835e-01 
+XStrontianite:           7.5165e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4202,10 +4203,10 @@ Simulation number:                4
 Reaction step number:           297 
 SrCO3 added:             2.9700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4380e-01 
-XStrontianite:           7.5620e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4740e-01 
+XStrontianite:           7.5260e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4215,10 +4216,10 @@ Simulation number:                4
 Reaction step number:           298 
 SrCO3 added:             2.9800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4288e-01 
-XStrontianite:           7.5712e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4645e-01 
+XStrontianite:           7.5355e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4228,10 +4229,10 @@ Simulation number:                4
 Reaction step number:           299 
 SrCO3 added:             2.9900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4196e-01 
-XStrontianite:           7.5804e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4551e-01 
+XStrontianite:           7.5449e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4241,10 +4242,10 @@ Simulation number:                4
 Reaction step number:           300 
 SrCO3 added:             3.0000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4104e-01 
-XStrontianite:           7.5896e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4457e-01 
+XStrontianite:           7.5543e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4254,10 +4255,10 @@ Simulation number:                4
 Reaction step number:           301 
 SrCO3 added:             3.0100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.4014e-01 
-XStrontianite:           7.5986e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4364e-01 
+XStrontianite:           7.5636e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4267,10 +4268,10 @@ Simulation number:                4
 Reaction step number:           302 
 SrCO3 added:             3.0200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3924e-01 
-XStrontianite:           7.6076e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4272e-01 
+XStrontianite:           7.5728e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4280,10 +4281,10 @@ Simulation number:                4
 Reaction step number:           303 
 SrCO3 added:             3.0300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3835e-01 
-XStrontianite:           7.6165e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4181e-01 
+XStrontianite:           7.5819e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4293,10 +4294,10 @@ Simulation number:                4
 Reaction step number:           304 
 SrCO3 added:             3.0400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3746e-01 
-XStrontianite:           7.6254e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4090e-01 
+XStrontianite:           7.5910e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4306,10 +4307,10 @@ Simulation number:                4
 Reaction step number:           305 
 SrCO3 added:             3.0500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3658e-01 
-XStrontianite:           7.6342e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.4000e-01 
+XStrontianite:           7.6000e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4319,10 +4320,10 @@ Simulation number:                4
 Reaction step number:           306 
 SrCO3 added:             3.0600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3571e-01 
-XStrontianite:           7.6429e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3911e-01 
+XStrontianite:           7.6089e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4332,10 +4333,10 @@ Simulation number:                4
 Reaction step number:           307 
 SrCO3 added:             3.0700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3484e-01 
-XStrontianite:           7.6516e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3823e-01 
+XStrontianite:           7.6177e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4345,10 +4346,10 @@ Simulation number:                4
 Reaction step number:           308 
 SrCO3 added:             3.0800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3398e-01 
-XStrontianite:           7.6602e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3735e-01 
+XStrontianite:           7.6265e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4358,10 +4359,10 @@ Simulation number:                4
 Reaction step number:           309 
 SrCO3 added:             3.0900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3313e-01 
-XStrontianite:           7.6687e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3647e-01 
+XStrontianite:           7.6353e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4371,10 +4372,10 @@ Simulation number:                4
 Reaction step number:           310 
 SrCO3 added:             3.1000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3228e-01 
-XStrontianite:           7.6772e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3561e-01 
+XStrontianite:           7.6439e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4384,10 +4385,10 @@ Simulation number:                4
 Reaction step number:           311 
 SrCO3 added:             3.1100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3144e-01 
-XStrontianite:           7.6856e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3474e-01 
+XStrontianite:           7.6526e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4397,10 +4398,10 @@ Simulation number:                4
 Reaction step number:           312 
 SrCO3 added:             3.1200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.3060e-01 
-XStrontianite:           7.6940e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3389e-01 
+XStrontianite:           7.6611e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4410,10 +4411,10 @@ Simulation number:                4
 Reaction step number:           313 
 SrCO3 added:             3.1300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2977e-01 
-XStrontianite:           7.7023e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3304e-01 
+XStrontianite:           7.6696e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4423,10 +4424,10 @@ Simulation number:                4
 Reaction step number:           314 
 SrCO3 added:             3.1400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2895e-01 
-XStrontianite:           7.7105e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3220e-01 
+XStrontianite:           7.6780e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4436,10 +4437,10 @@ Simulation number:                4
 Reaction step number:           315 
 SrCO3 added:             3.1500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2813e-01 
-XStrontianite:           7.7187e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3136e-01 
+XStrontianite:           7.6864e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4449,10 +4450,10 @@ Simulation number:                4
 Reaction step number:           316 
 SrCO3 added:             3.1600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2732e-01 
-XStrontianite:           7.7268e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.3053e-01 
+XStrontianite:           7.6947e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4462,10 +4463,10 @@ Simulation number:                4
 Reaction step number:           317 
 SrCO3 added:             3.1700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2651e-01 
-XStrontianite:           7.7349e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2971e-01 
+XStrontianite:           7.7029e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4475,10 +4476,10 @@ Simulation number:                4
 Reaction step number:           318 
 SrCO3 added:             3.1800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2571e-01 
-XStrontianite:           7.7429e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2889e-01 
+XStrontianite:           7.7111e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4488,10 +4489,10 @@ Simulation number:                4
 Reaction step number:           319 
 SrCO3 added:             3.1900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2492e-01 
-XStrontianite:           7.7508e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2808e-01 
+XStrontianite:           7.7192e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4501,10 +4502,10 @@ Simulation number:                4
 Reaction step number:           320 
 SrCO3 added:             3.2000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2413e-01 
-XStrontianite:           7.7587e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2727e-01 
+XStrontianite:           7.7273e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4514,10 +4515,10 @@ Simulation number:                4
 Reaction step number:           321 
 SrCO3 added:             3.2100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2334e-01 
-XStrontianite:           7.7666e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2647e-01 
+XStrontianite:           7.7353e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4527,10 +4528,10 @@ Simulation number:                4
 Reaction step number:           322 
 SrCO3 added:             3.2200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2257e-01 
-XStrontianite:           7.7743e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2568e-01 
+XStrontianite:           7.7432e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4540,10 +4541,10 @@ Simulation number:                4
 Reaction step number:           323 
 SrCO3 added:             3.2300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2179e-01 
-XStrontianite:           7.7821e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2489e-01 
+XStrontianite:           7.7511e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4553,10 +4554,10 @@ Simulation number:                4
 Reaction step number:           324 
 SrCO3 added:             3.2400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2103e-01 
-XStrontianite:           7.7897e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2410e-01 
+XStrontianite:           7.7590e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4566,10 +4567,10 @@ Simulation number:                4
 Reaction step number:           325 
 SrCO3 added:             3.2500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.2026e-01 
-XStrontianite:           7.7974e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2333e-01 
+XStrontianite:           7.7667e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4579,10 +4580,10 @@ Simulation number:                4
 Reaction step number:           326 
 SrCO3 added:             3.2600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1951e-01 
-XStrontianite:           7.8049e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2255e-01 
+XStrontianite:           7.7745e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4592,10 +4593,10 @@ Simulation number:                4
 Reaction step number:           327 
 SrCO3 added:             3.2700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1876e-01 
-XStrontianite:           7.8124e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2178e-01 
+XStrontianite:           7.7822e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4605,10 +4606,10 @@ Simulation number:                4
 Reaction step number:           328 
 SrCO3 added:             3.2800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1801e-01 
-XStrontianite:           7.8199e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2102e-01 
+XStrontianite:           7.7898e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4618,10 +4619,10 @@ Simulation number:                4
 Reaction step number:           329 
 SrCO3 added:             3.2900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1727e-01 
-XStrontianite:           7.8273e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.2026e-01 
+XStrontianite:           7.7974e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4631,10 +4632,10 @@ Simulation number:                4
 Reaction step number:           330 
 SrCO3 added:             3.3000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1653e-01 
-XStrontianite:           7.8347e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1951e-01 
+XStrontianite:           7.8049e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4644,10 +4645,10 @@ Simulation number:                4
 Reaction step number:           331 
 SrCO3 added:             3.3100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1580e-01 
-XStrontianite:           7.8420e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1876e-01 
+XStrontianite:           7.8124e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4657,10 +4658,10 @@ Simulation number:                4
 Reaction step number:           332 
 SrCO3 added:             3.3200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1507e-01 
-XStrontianite:           7.8493e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1802e-01 
+XStrontianite:           7.8198e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4670,10 +4671,10 @@ Simulation number:                4
 Reaction step number:           333 
 SrCO3 added:             3.3300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1435e-01 
-XStrontianite:           7.8565e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1728e-01 
+XStrontianite:           7.8272e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4683,10 +4684,10 @@ Simulation number:                4
 Reaction step number:           334 
 SrCO3 added:             3.3400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1363e-01 
-XStrontianite:           7.8637e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1655e-01 
+XStrontianite:           7.8345e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4696,10 +4697,10 @@ Simulation number:                4
 Reaction step number:           335 
 SrCO3 added:             3.3500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1292e-01 
-XStrontianite:           7.8708e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1583e-01 
+XStrontianite:           7.8417e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4709,10 +4710,10 @@ Simulation number:                4
 Reaction step number:           336 
 SrCO3 added:             3.3600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1221e-01 
-XStrontianite:           7.8779e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1510e-01 
+XStrontianite:           7.8490e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4722,10 +4723,10 @@ Simulation number:                4
 Reaction step number:           337 
 SrCO3 added:             3.3700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1151e-01 
-XStrontianite:           7.8849e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1439e-01 
+XStrontianite:           7.8561e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4735,10 +4736,10 @@ Simulation number:                4
 Reaction step number:           338 
 SrCO3 added:             3.3800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1081e-01 
-XStrontianite:           7.8919e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1367e-01 
+XStrontianite:           7.8633e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4748,10 +4749,10 @@ Simulation number:                4
 Reaction step number:           339 
 SrCO3 added:             3.3900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.1012e-01 
-XStrontianite:           7.8988e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1296e-01 
+XStrontianite:           7.8704e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4761,10 +4762,10 @@ Simulation number:                4
 Reaction step number:           340 
 SrCO3 added:             3.4000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0943e-01 
-XStrontianite:           7.9057e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1226e-01 
+XStrontianite:           7.8774e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4774,10 +4775,10 @@ Simulation number:                4
 Reaction step number:           341 
 SrCO3 added:             3.4100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0875e-01 
-XStrontianite:           7.9125e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1156e-01 
+XStrontianite:           7.8844e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4787,10 +4788,10 @@ Simulation number:                4
 Reaction step number:           342 
 SrCO3 added:             3.4200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0807e-01 
-XStrontianite:           7.9193e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1087e-01 
+XStrontianite:           7.8913e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4800,10 +4801,10 @@ Simulation number:                4
 Reaction step number:           343 
 SrCO3 added:             3.4300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0739e-01 
-XStrontianite:           7.9261e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.1018e-01 
+XStrontianite:           7.8982e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4813,10 +4814,10 @@ Simulation number:                4
 Reaction step number:           344 
 SrCO3 added:             3.4400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0672e-01 
-XStrontianite:           7.9328e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0949e-01 
+XStrontianite:           7.9051e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4826,10 +4827,10 @@ Simulation number:                4
 Reaction step number:           345 
 SrCO3 added:             3.4500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0605e-01 
-XStrontianite:           7.9395e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0881e-01 
+XStrontianite:           7.9119e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4839,10 +4840,10 @@ Simulation number:                4
 Reaction step number:           346 
 SrCO3 added:             3.4600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0539e-01 
-XStrontianite:           7.9461e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0814e-01 
+XStrontianite:           7.9186e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4852,10 +4853,10 @@ Simulation number:                4
 Reaction step number:           347 
 SrCO3 added:             3.4700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0473e-01 
-XStrontianite:           7.9527e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0746e-01 
+XStrontianite:           7.9254e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4865,10 +4866,10 @@ Simulation number:                4
 Reaction step number:           348 
 SrCO3 added:             3.4800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0408e-01 
-XStrontianite:           7.9592e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0680e-01 
+XStrontianite:           7.9320e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4878,10 +4879,10 @@ Simulation number:                4
 Reaction step number:           349 
 SrCO3 added:             3.4900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0343e-01 
-XStrontianite:           7.9657e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0613e-01 
+XStrontianite:           7.9387e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4891,10 +4892,10 @@ Simulation number:                4
 Reaction step number:           350 
 SrCO3 added:             3.5000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0278e-01 
-XStrontianite:           7.9722e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0548e-01 
+XStrontianite:           7.9452e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4904,10 +4905,10 @@ Simulation number:                4
 Reaction step number:           351 
 SrCO3 added:             3.5100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0214e-01 
-XStrontianite:           7.9786e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0482e-01 
+XStrontianite:           7.9518e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4917,10 +4918,10 @@ Simulation number:                4
 Reaction step number:           352 
 SrCO3 added:             3.5200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0150e-01 
-XStrontianite:           7.9850e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0417e-01 
+XStrontianite:           7.9583e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4930,10 +4931,10 @@ Simulation number:                4
 Reaction step number:           353 
 SrCO3 added:             3.5300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0087e-01 
-XStrontianite:           7.9913e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0352e-01 
+XStrontianite:           7.9648e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4943,10 +4944,10 @@ Simulation number:                4
 Reaction step number:           354 
 SrCO3 added:             3.5400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              2.0024e-01 
-XStrontianite:           7.9976e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0288e-01 
+XStrontianite:           7.9712e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4956,10 +4957,10 @@ Simulation number:                4
 Reaction step number:           355 
 SrCO3 added:             3.5500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9961e-01 
-XStrontianite:           8.0039e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0224e-01 
+XStrontianite:           7.9776e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4969,10 +4970,10 @@ Simulation number:                4
 Reaction step number:           356 
 SrCO3 added:             3.5600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9899e-01 
-XStrontianite:           8.0101e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0161e-01 
+XStrontianite:           7.9839e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4982,10 +4983,10 @@ Simulation number:                4
 Reaction step number:           357 
 SrCO3 added:             3.5700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9837e-01 
-XStrontianite:           8.0163e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0098e-01 
+XStrontianite:           7.9902e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -4995,10 +4996,10 @@ Simulation number:                4
 Reaction step number:           358 
 SrCO3 added:             3.5800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9776e-01 
-XStrontianite:           8.0224e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              2.0035e-01 
+XStrontianite:           7.9965e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5008,10 +5009,10 @@ Simulation number:                4
 Reaction step number:           359 
 SrCO3 added:             3.5900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9715e-01 
-XStrontianite:           8.0285e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9973e-01 
+XStrontianite:           8.0027e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5021,10 +5022,10 @@ Simulation number:                4
 Reaction step number:           360 
 SrCO3 added:             3.6000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9654e-01 
-XStrontianite:           8.0346e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9911e-01 
+XStrontianite:           8.0089e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5034,10 +5035,10 @@ Simulation number:                4
 Reaction step number:           361 
 SrCO3 added:             3.6100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9594e-01 
-XStrontianite:           8.0406e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9849e-01 
+XStrontianite:           8.0151e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5047,10 +5048,10 @@ Simulation number:                4
 Reaction step number:           362 
 SrCO3 added:             3.6200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9534e-01 
-XStrontianite:           8.0466e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9788e-01 
+XStrontianite:           8.0212e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5060,10 +5061,10 @@ Simulation number:                4
 Reaction step number:           363 
 SrCO3 added:             3.6300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9474e-01 
-XStrontianite:           8.0526e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9728e-01 
+XStrontianite:           8.0272e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5073,10 +5074,10 @@ Simulation number:                4
 Reaction step number:           364 
 SrCO3 added:             3.6400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9415e-01 
-XStrontianite:           8.0585e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9667e-01 
+XStrontianite:           8.0333e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5086,10 +5087,10 @@ Simulation number:                4
 Reaction step number:           365 
 SrCO3 added:             3.6500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9356e-01 
-XStrontianite:           8.0644e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9607e-01 
+XStrontianite:           8.0393e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5099,10 +5100,10 @@ Simulation number:                4
 Reaction step number:           366 
 SrCO3 added:             3.6600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9298e-01 
-XStrontianite:           8.0702e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9548e-01 
+XStrontianite:           8.0452e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5112,10 +5113,10 @@ Simulation number:                4
 Reaction step number:           367 
 SrCO3 added:             3.6700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9240e-01 
-XStrontianite:           8.0760e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9488e-01 
+XStrontianite:           8.0512e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5125,10 +5126,10 @@ Simulation number:                4
 Reaction step number:           368 
 SrCO3 added:             3.6800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9182e-01 
-XStrontianite:           8.0818e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9429e-01 
+XStrontianite:           8.0571e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5138,10 +5139,10 @@ Simulation number:                4
 Reaction step number:           369 
 SrCO3 added:             3.6900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9125e-01 
-XStrontianite:           8.0875e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9371e-01 
+XStrontianite:           8.0629e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5151,10 +5152,10 @@ Simulation number:                4
 Reaction step number:           370 
 SrCO3 added:             3.7000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9068e-01 
-XStrontianite:           8.0932e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9313e-01 
+XStrontianite:           8.0687e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5164,10 +5165,10 @@ Simulation number:                4
 Reaction step number:           371 
 SrCO3 added:             3.7100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.9011e-01 
-XStrontianite:           8.0989e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9255e-01 
+XStrontianite:           8.0745e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5177,10 +5178,10 @@ Simulation number:                4
 Reaction step number:           372 
 SrCO3 added:             3.7200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8954e-01 
-XStrontianite:           8.1046e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9197e-01 
+XStrontianite:           8.0803e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5190,10 +5191,10 @@ Simulation number:                4
 Reaction step number:           373 
 SrCO3 added:             3.7300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8898e-01 
-XStrontianite:           8.1102e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9140e-01 
+XStrontianite:           8.0860e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5203,10 +5204,10 @@ Simulation number:                4
 Reaction step number:           374 
 SrCO3 added:             3.7400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8843e-01 
-XStrontianite:           8.1157e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9083e-01 
+XStrontianite:           8.0917e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5216,10 +5217,10 @@ Simulation number:                4
 Reaction step number:           375 
 SrCO3 added:             3.7500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8787e-01 
-XStrontianite:           8.1213e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.9027e-01 
+XStrontianite:           8.0973e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5229,10 +5230,10 @@ Simulation number:                4
 Reaction step number:           376 
 SrCO3 added:             3.7600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8732e-01 
-XStrontianite:           8.1268e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8971e-01 
+XStrontianite:           8.1029e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5242,10 +5243,10 @@ Simulation number:                4
 Reaction step number:           377 
 SrCO3 added:             3.7700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8677e-01 
-XStrontianite:           8.1323e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8915e-01 
+XStrontianite:           8.1085e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5255,10 +5256,10 @@ Simulation number:                4
 Reaction step number:           378 
 SrCO3 added:             3.7800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8623e-01 
-XStrontianite:           8.1377e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8859e-01 
+XStrontianite:           8.1141e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5268,10 +5269,10 @@ Simulation number:                4
 Reaction step number:           379 
 SrCO3 added:             3.7900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8569e-01 
-XStrontianite:           8.1431e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8804e-01 
+XStrontianite:           8.1196e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5281,10 +5282,10 @@ Simulation number:                4
 Reaction step number:           380 
 SrCO3 added:             3.8000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8515e-01 
-XStrontianite:           8.1485e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8749e-01 
+XStrontianite:           8.1251e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5294,10 +5295,10 @@ Simulation number:                4
 Reaction step number:           381 
 SrCO3 added:             3.8100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8461e-01 
-XStrontianite:           8.1539e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8695e-01 
+XStrontianite:           8.1305e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5307,10 +5308,10 @@ Simulation number:                4
 Reaction step number:           382 
 SrCO3 added:             3.8200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8408e-01 
-XStrontianite:           8.1592e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8640e-01 
+XStrontianite:           8.1360e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5320,10 +5321,10 @@ Simulation number:                4
 Reaction step number:           383 
 SrCO3 added:             3.8300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8355e-01 
-XStrontianite:           8.1645e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8587e-01 
+XStrontianite:           8.1413e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5333,10 +5334,10 @@ Simulation number:                4
 Reaction step number:           384 
 SrCO3 added:             3.8400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8303e-01 
-XStrontianite:           8.1697e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8533e-01 
+XStrontianite:           8.1467e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5346,10 +5347,10 @@ Simulation number:                4
 Reaction step number:           385 
 SrCO3 added:             3.8500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8250e-01 
-XStrontianite:           8.1750e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8480e-01 
+XStrontianite:           8.1520e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5359,10 +5360,10 @@ Simulation number:                4
 Reaction step number:           386 
 SrCO3 added:             3.8600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8198e-01 
-XStrontianite:           8.1802e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8427e-01 
+XStrontianite:           8.1573e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5372,10 +5373,10 @@ Simulation number:                4
 Reaction step number:           387 
 SrCO3 added:             3.8700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8147e-01 
-XStrontianite:           8.1853e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8374e-01 
+XStrontianite:           8.1626e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5385,10 +5386,10 @@ Simulation number:                4
 Reaction step number:           388 
 SrCO3 added:             3.8800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8095e-01 
-XStrontianite:           8.1905e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8322e-01 
+XStrontianite:           8.1678e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5398,10 +5399,10 @@ Simulation number:                4
 Reaction step number:           389 
 SrCO3 added:             3.8900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.8044e-01 
-XStrontianite:           8.1956e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8270e-01 
+XStrontianite:           8.1730e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5411,10 +5412,10 @@ Simulation number:                4
 Reaction step number:           390 
 SrCO3 added:             3.9000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7993e-01 
-XStrontianite:           8.2007e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8218e-01 
+XStrontianite:           8.1782e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5424,10 +5425,10 @@ Simulation number:                4
 Reaction step number:           391 
 SrCO3 added:             3.9100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7943e-01 
-XStrontianite:           8.2057e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8166e-01 
+XStrontianite:           8.1834e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5437,10 +5438,10 @@ Simulation number:                4
 Reaction step number:           392 
 SrCO3 added:             3.9200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7892e-01 
-XStrontianite:           8.2108e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8115e-01 
+XStrontianite:           8.1885e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5450,10 +5451,10 @@ Simulation number:                4
 Reaction step number:           393 
 SrCO3 added:             3.9300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7842e-01 
-XStrontianite:           8.2158e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8064e-01 
+XStrontianite:           8.1936e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5463,10 +5464,10 @@ Simulation number:                4
 Reaction step number:           394 
 SrCO3 added:             3.9400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7793e-01 
-XStrontianite:           8.2207e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.8013e-01 
+XStrontianite:           8.1987e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5476,10 +5477,10 @@ Simulation number:                4
 Reaction step number:           395 
 SrCO3 added:             3.9500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7743e-01 
-XStrontianite:           8.2257e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7963e-01 
+XStrontianite:           8.2037e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5489,10 +5490,10 @@ Simulation number:                4
 Reaction step number:           396 
 SrCO3 added:             3.9600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7694e-01 
-XStrontianite:           8.2306e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7913e-01 
+XStrontianite:           8.2087e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5502,10 +5503,10 @@ Simulation number:                4
 Reaction step number:           397 
 SrCO3 added:             3.9700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7645e-01 
-XStrontianite:           8.2355e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7863e-01 
+XStrontianite:           8.2137e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5515,10 +5516,10 @@ Simulation number:                4
 Reaction step number:           398 
 SrCO3 added:             3.9800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7597e-01 
-XStrontianite:           8.2403e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7814e-01 
+XStrontianite:           8.2186e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5528,10 +5529,10 @@ Simulation number:                4
 Reaction step number:           399 
 SrCO3 added:             3.9900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7548e-01 
-XStrontianite:           8.2452e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7765e-01 
+XStrontianite:           8.2235e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5541,10 +5542,10 @@ Simulation number:                4
 Reaction step number:           400 
 SrCO3 added:             4.0000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7500e-01 
-XStrontianite:           8.2500e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7716e-01 
+XStrontianite:           8.2284e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5554,10 +5555,10 @@ Simulation number:                4
 Reaction step number:           401 
 SrCO3 added:             4.0100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7452e-01 
-XStrontianite:           8.2548e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7667e-01 
+XStrontianite:           8.2333e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5567,10 +5568,10 @@ Simulation number:                4
 Reaction step number:           402 
 SrCO3 added:             4.0200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7405e-01 
-XStrontianite:           8.2595e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7618e-01 
+XStrontianite:           8.2382e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5580,10 +5581,10 @@ Simulation number:                4
 Reaction step number:           403 
 SrCO3 added:             4.0300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7358e-01 
-XStrontianite:           8.2642e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7570e-01 
+XStrontianite:           8.2430e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5593,10 +5594,10 @@ Simulation number:                4
 Reaction step number:           404 
 SrCO3 added:             4.0400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7311e-01 
-XStrontianite:           8.2689e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7522e-01 
+XStrontianite:           8.2478e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5606,10 +5607,10 @@ Simulation number:                4
 Reaction step number:           405 
 SrCO3 added:             4.0500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7264e-01 
-XStrontianite:           8.2736e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7475e-01 
+XStrontianite:           8.2525e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5619,10 +5620,10 @@ Simulation number:                4
 Reaction step number:           406 
 SrCO3 added:             4.0600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7217e-01 
-XStrontianite:           8.2783e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7427e-01 
+XStrontianite:           8.2573e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5632,10 +5633,10 @@ Simulation number:                4
 Reaction step number:           407 
 SrCO3 added:             4.0700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7171e-01 
-XStrontianite:           8.2829e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7380e-01 
+XStrontianite:           8.2620e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5645,10 +5646,10 @@ Simulation number:                4
 Reaction step number:           408 
 SrCO3 added:             4.0800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7125e-01 
-XStrontianite:           8.2875e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7333e-01 
+XStrontianite:           8.2667e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5658,10 +5659,10 @@ Simulation number:                4
 Reaction step number:           409 
 SrCO3 added:             4.0900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7079e-01 
-XStrontianite:           8.2921e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7287e-01 
+XStrontianite:           8.2713e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5671,10 +5672,10 @@ Simulation number:                4
 Reaction step number:           410 
 SrCO3 added:             4.1000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.7034e-01 
-XStrontianite:           8.2966e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7240e-01 
+XStrontianite:           8.2760e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5684,10 +5685,10 @@ Simulation number:                4
 Reaction step number:           411 
 SrCO3 added:             4.1100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6988e-01 
-XStrontianite:           8.3012e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7194e-01 
+XStrontianite:           8.2806e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5697,10 +5698,10 @@ Simulation number:                4
 Reaction step number:           412 
 SrCO3 added:             4.1200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6943e-01 
-XStrontianite:           8.3057e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7148e-01 
+XStrontianite:           8.2852e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5710,10 +5711,10 @@ Simulation number:                4
 Reaction step number:           413 
 SrCO3 added:             4.1300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6898e-01 
-XStrontianite:           8.3102e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7103e-01 
+XStrontianite:           8.2897e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5723,10 +5724,10 @@ Simulation number:                4
 Reaction step number:           414 
 SrCO3 added:             4.1400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6854e-01 
-XStrontianite:           8.3146e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7057e-01 
+XStrontianite:           8.2943e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5736,10 +5737,10 @@ Simulation number:                4
 Reaction step number:           415 
 SrCO3 added:             4.1500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6809e-01 
-XStrontianite:           8.3191e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.7012e-01 
+XStrontianite:           8.2988e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5749,10 +5750,10 @@ Simulation number:                4
 Reaction step number:           416 
 SrCO3 added:             4.1600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6765e-01 
-XStrontianite:           8.3235e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6967e-01 
+XStrontianite:           8.3033e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5762,10 +5763,10 @@ Simulation number:                4
 Reaction step number:           417 
 SrCO3 added:             4.1700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6721e-01 
-XStrontianite:           8.3279e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6923e-01 
+XStrontianite:           8.3077e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5775,10 +5776,10 @@ Simulation number:                4
 Reaction step number:           418 
 SrCO3 added:             4.1800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6678e-01 
-XStrontianite:           8.3322e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6878e-01 
+XStrontianite:           8.3122e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5788,10 +5789,10 @@ Simulation number:                4
 Reaction step number:           419 
 SrCO3 added:             4.1900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6634e-01 
-XStrontianite:           8.3366e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6834e-01 
+XStrontianite:           8.3166e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5801,10 +5802,10 @@ Simulation number:                4
 Reaction step number:           420 
 SrCO3 added:             4.2000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6591e-01 
-XStrontianite:           8.3409e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6790e-01 
+XStrontianite:           8.3210e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5814,10 +5815,10 @@ Simulation number:                4
 Reaction step number:           421 
 SrCO3 added:             4.2100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6548e-01 
-XStrontianite:           8.3452e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6746e-01 
+XStrontianite:           8.3254e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5827,10 +5828,10 @@ Simulation number:                4
 Reaction step number:           422 
 SrCO3 added:             4.2200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6505e-01 
-XStrontianite:           8.3495e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6703e-01 
+XStrontianite:           8.3297e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5840,10 +5841,10 @@ Simulation number:                4
 Reaction step number:           423 
 SrCO3 added:             4.2300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6463e-01 
-XStrontianite:           8.3537e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6659e-01 
+XStrontianite:           8.3341e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5853,10 +5854,10 @@ Simulation number:                4
 Reaction step number:           424 
 SrCO3 added:             4.2400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6421e-01 
-XStrontianite:           8.3579e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6616e-01 
+XStrontianite:           8.3384e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5866,10 +5867,10 @@ Simulation number:                4
 Reaction step number:           425 
 SrCO3 added:             4.2500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6378e-01 
-XStrontianite:           8.3622e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6573e-01 
+XStrontianite:           8.3427e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5879,10 +5880,10 @@ Simulation number:                4
 Reaction step number:           426 
 SrCO3 added:             4.2600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6337e-01 
-XStrontianite:           8.3663e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6531e-01 
+XStrontianite:           8.3469e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5892,10 +5893,10 @@ Simulation number:                4
 Reaction step number:           427 
 SrCO3 added:             4.2700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6295e-01 
-XStrontianite:           8.3705e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6488e-01 
+XStrontianite:           8.3512e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5905,10 +5906,10 @@ Simulation number:                4
 Reaction step number:           428 
 SrCO3 added:             4.2800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6253e-01 
-XStrontianite:           8.3747e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6446e-01 
+XStrontianite:           8.3554e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5918,10 +5919,10 @@ Simulation number:                4
 Reaction step number:           429 
 SrCO3 added:             4.2900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6212e-01 
-XStrontianite:           8.3788e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6404e-01 
+XStrontianite:           8.3596e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5931,10 +5932,10 @@ Simulation number:                4
 Reaction step number:           430 
 SrCO3 added:             4.3000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6171e-01 
-XStrontianite:           8.3829e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6362e-01 
+XStrontianite:           8.3638e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5944,10 +5945,10 @@ Simulation number:                4
 Reaction step number:           431 
 SrCO3 added:             4.3100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6130e-01 
-XStrontianite:           8.3870e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6321e-01 
+XStrontianite:           8.3679e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5957,10 +5958,10 @@ Simulation number:                4
 Reaction step number:           432 
 SrCO3 added:             4.3200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6090e-01 
-XStrontianite:           8.3910e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6280e-01 
+XStrontianite:           8.3720e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5970,10 +5971,10 @@ Simulation number:                4
 Reaction step number:           433 
 SrCO3 added:             4.3300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6049e-01 
-XStrontianite:           8.3951e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6238e-01 
+XStrontianite:           8.3762e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5983,10 +5984,10 @@ Simulation number:                4
 Reaction step number:           434 
 SrCO3 added:             4.3400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.6009e-01 
-XStrontianite:           8.3991e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6198e-01 
+XStrontianite:           8.3802e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -5996,10 +5997,10 @@ Simulation number:                4
 Reaction step number:           435 
 SrCO3 added:             4.3500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5969e-01 
-XStrontianite:           8.4031e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6157e-01 
+XStrontianite:           8.3843e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6009,10 +6010,10 @@ Simulation number:                4
 Reaction step number:           436 
 SrCO3 added:             4.3600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5929e-01 
-XStrontianite:           8.4071e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6116e-01 
+XStrontianite:           8.3884e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6022,10 +6023,10 @@ Simulation number:                4
 Reaction step number:           437 
 SrCO3 added:             4.3700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5890e-01 
-XStrontianite:           8.4110e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6076e-01 
+XStrontianite:           8.3924e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6035,10 +6036,10 @@ Simulation number:                4
 Reaction step number:           438 
 SrCO3 added:             4.3800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5850e-01 
-XStrontianite:           8.4150e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.6036e-01 
+XStrontianite:           8.3964e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6048,10 +6049,10 @@ Simulation number:                4
 Reaction step number:           439 
 SrCO3 added:             4.3900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5811e-01 
-XStrontianite:           8.4189e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5996e-01 
+XStrontianite:           8.4004e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6061,10 +6062,10 @@ Simulation number:                4
 Reaction step number:           440 
 SrCO3 added:             4.4000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5772e-01 
-XStrontianite:           8.4228e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5956e-01 
+XStrontianite:           8.4044e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6074,10 +6075,10 @@ Simulation number:                4
 Reaction step number:           441 
 SrCO3 added:             4.4100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5733e-01 
-XStrontianite:           8.4267e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5917e-01 
+XStrontianite:           8.4083e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6087,10 +6088,10 @@ Simulation number:                4
 Reaction step number:           442 
 SrCO3 added:             4.4200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5694e-01 
-XStrontianite:           8.4306e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5877e-01 
+XStrontianite:           8.4123e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6100,10 +6101,10 @@ Simulation number:                4
 Reaction step number:           443 
 SrCO3 added:             4.4300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5656e-01 
-XStrontianite:           8.4344e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5838e-01 
+XStrontianite:           8.4162e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6113,10 +6114,10 @@ Simulation number:                4
 Reaction step number:           444 
 SrCO3 added:             4.4400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5618e-01 
-XStrontianite:           8.4382e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5799e-01 
+XStrontianite:           8.4201e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6126,10 +6127,10 @@ Simulation number:                4
 Reaction step number:           445 
 SrCO3 added:             4.4500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5579e-01 
-XStrontianite:           8.4421e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5761e-01 
+XStrontianite:           8.4239e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6139,10 +6140,10 @@ Simulation number:                4
 Reaction step number:           446 
 SrCO3 added:             4.4600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5542e-01 
-XStrontianite:           8.4458e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5722e-01 
+XStrontianite:           8.4278e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6152,10 +6153,10 @@ Simulation number:                4
 Reaction step number:           447 
 SrCO3 added:             4.4700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5504e-01 
-XStrontianite:           8.4496e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5684e-01 
+XStrontianite:           8.4316e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6165,10 +6166,10 @@ Simulation number:                4
 Reaction step number:           448 
 SrCO3 added:             4.4800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5466e-01 
-XStrontianite:           8.4534e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5645e-01 
+XStrontianite:           8.4355e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6178,10 +6179,10 @@ Simulation number:                4
 Reaction step number:           449 
 SrCO3 added:             4.4900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5429e-01 
-XStrontianite:           8.4571e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5607e-01 
+XStrontianite:           8.4393e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6191,10 +6192,10 @@ Simulation number:                4
 Reaction step number:           450 
 SrCO3 added:             4.5000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5392e-01 
-XStrontianite:           8.4608e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5570e-01 
+XStrontianite:           8.4430e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6204,10 +6205,10 @@ Simulation number:                4
 Reaction step number:           451 
 SrCO3 added:             4.5100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5355e-01 
-XStrontianite:           8.4645e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5532e-01 
+XStrontianite:           8.4468e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6217,10 +6218,10 @@ Simulation number:                4
 Reaction step number:           452 
 SrCO3 added:             4.5200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5318e-01 
-XStrontianite:           8.4682e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5495e-01 
+XStrontianite:           8.4505e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6230,10 +6231,10 @@ Simulation number:                4
 Reaction step number:           453 
 SrCO3 added:             4.5300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5281e-01 
-XStrontianite:           8.4719e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5457e-01 
+XStrontianite:           8.4543e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6243,10 +6244,10 @@ Simulation number:                4
 Reaction step number:           454 
 SrCO3 added:             4.5400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5245e-01 
-XStrontianite:           8.4755e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5420e-01 
+XStrontianite:           8.4580e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6256,10 +6257,10 @@ Simulation number:                4
 Reaction step number:           455 
 SrCO3 added:             4.5500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5209e-01 
-XStrontianite:           8.4791e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5383e-01 
+XStrontianite:           8.4617e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6269,10 +6270,10 @@ Simulation number:                4
 Reaction step number:           456 
 SrCO3 added:             4.5600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5172e-01 
-XStrontianite:           8.4828e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5347e-01 
+XStrontianite:           8.4653e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6282,10 +6283,10 @@ Simulation number:                4
 Reaction step number:           457 
 SrCO3 added:             4.5700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5136e-01 
-XStrontianite:           8.4864e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5310e-01 
+XStrontianite:           8.4690e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6295,10 +6296,10 @@ Simulation number:                4
 Reaction step number:           458 
 SrCO3 added:             4.5800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5101e-01 
-XStrontianite:           8.4899e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5274e-01 
+XStrontianite:           8.4726e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6308,10 +6309,10 @@ Simulation number:                4
 Reaction step number:           459 
 SrCO3 added:             4.5900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5065e-01 
-XStrontianite:           8.4935e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5237e-01 
+XStrontianite:           8.4763e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6321,10 +6322,10 @@ Simulation number:                4
 Reaction step number:           460 
 SrCO3 added:             4.6000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.5030e-01 
-XStrontianite:           8.4970e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5201e-01 
+XStrontianite:           8.4799e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6334,10 +6335,10 @@ Simulation number:                4
 Reaction step number:           461 
 SrCO3 added:             4.6100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4994e-01 
-XStrontianite:           8.5006e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5166e-01 
+XStrontianite:           8.4834e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6347,10 +6348,10 @@ Simulation number:                4
 Reaction step number:           462 
 SrCO3 added:             4.6200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4959e-01 
-XStrontianite:           8.5041e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5130e-01 
+XStrontianite:           8.4870e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6360,10 +6361,10 @@ Simulation number:                4
 Reaction step number:           463 
 SrCO3 added:             4.6300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4924e-01 
-XStrontianite:           8.5076e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5094e-01 
+XStrontianite:           8.4906e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6373,10 +6374,10 @@ Simulation number:                4
 Reaction step number:           464 
 SrCO3 added:             4.6400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4889e-01 
-XStrontianite:           8.5111e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5059e-01 
+XStrontianite:           8.4941e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6386,10 +6387,10 @@ Simulation number:                4
 Reaction step number:           465 
 SrCO3 added:             4.6500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4855e-01 
-XStrontianite:           8.5145e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.5024e-01 
+XStrontianite:           8.4976e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6399,10 +6400,10 @@ Simulation number:                4
 Reaction step number:           466 
 SrCO3 added:             4.6600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4820e-01 
-XStrontianite:           8.5180e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4989e-01 
+XStrontianite:           8.5011e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6412,10 +6413,10 @@ Simulation number:                4
 Reaction step number:           467 
 SrCO3 added:             4.6700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4786e-01 
-XStrontianite:           8.5214e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4954e-01 
+XStrontianite:           8.5046e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6425,10 +6426,10 @@ Simulation number:                4
 Reaction step number:           468 
 SrCO3 added:             4.6800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4752e-01 
-XStrontianite:           8.5248e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4919e-01 
+XStrontianite:           8.5081e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6438,10 +6439,10 @@ Simulation number:                4
 Reaction step number:           469 
 SrCO3 added:             4.6900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4718e-01 
-XStrontianite:           8.5282e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4885e-01 
+XStrontianite:           8.5115e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6451,10 +6452,10 @@ Simulation number:                4
 Reaction step number:           470 
 SrCO3 added:             4.7000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4684e-01 
-XStrontianite:           8.5316e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4850e-01 
+XStrontianite:           8.5150e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6464,10 +6465,10 @@ Simulation number:                4
 Reaction step number:           471 
 SrCO3 added:             4.7100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4650e-01 
-XStrontianite:           8.5350e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4816e-01 
+XStrontianite:           8.5184e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6477,10 +6478,10 @@ Simulation number:                4
 Reaction step number:           472 
 SrCO3 added:             4.7200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4617e-01 
-XStrontianite:           8.5383e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4782e-01 
+XStrontianite:           8.5218e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6490,10 +6491,10 @@ Simulation number:                4
 Reaction step number:           473 
 SrCO3 added:             4.7300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4584e-01 
-XStrontianite:           8.5416e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4748e-01 
+XStrontianite:           8.5252e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6503,10 +6504,10 @@ Simulation number:                4
 Reaction step number:           474 
 SrCO3 added:             4.7400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4550e-01 
-XStrontianite:           8.5450e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4714e-01 
+XStrontianite:           8.5286e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6516,10 +6517,10 @@ Simulation number:                4
 Reaction step number:           475 
 SrCO3 added:             4.7500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4517e-01 
-XStrontianite:           8.5483e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4681e-01 
+XStrontianite:           8.5319e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6529,10 +6530,10 @@ Simulation number:                4
 Reaction step number:           476 
 SrCO3 added:             4.7600e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4484e-01 
-XStrontianite:           8.5516e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4647e-01 
+XStrontianite:           8.5353e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6542,10 +6543,10 @@ Simulation number:                4
 Reaction step number:           477 
 SrCO3 added:             4.7700e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4452e-01 
-XStrontianite:           8.5548e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4614e-01 
+XStrontianite:           8.5386e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6555,10 +6556,10 @@ Simulation number:                4
 Reaction step number:           478 
 SrCO3 added:             4.7800e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4419e-01 
-XStrontianite:           8.5581e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4581e-01 
+XStrontianite:           8.5419e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6568,10 +6569,10 @@ Simulation number:                4
 Reaction step number:           479 
 SrCO3 added:             4.7900e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4386e-01 
-XStrontianite:           8.5614e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4548e-01 
+XStrontianite:           8.5452e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6581,10 +6582,10 @@ Simulation number:                4
 Reaction step number:           480 
 SrCO3 added:             4.8000e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4354e-01 
-XStrontianite:           8.5646e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4515e-01 
+XStrontianite:           8.5485e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6594,10 +6595,10 @@ Simulation number:                4
 Reaction step number:           481 
 SrCO3 added:             4.8100e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4322e-01 
-XStrontianite:           8.5678e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4482e-01 
+XStrontianite:           8.5518e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6607,10 +6608,10 @@ Simulation number:                4
 Reaction step number:           482 
 SrCO3 added:             4.8200e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4290e-01 
-XStrontianite:           8.5710e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4450e-01 
+XStrontianite:           8.5550e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6620,10 +6621,10 @@ Simulation number:                4
 Reaction step number:           483 
 SrCO3 added:             4.8300e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4258e-01 
-XStrontianite:           8.5742e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4417e-01 
+XStrontianite:           8.5583e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6633,10 +6634,10 @@ Simulation number:                4
 Reaction step number:           484 
 SrCO3 added:             4.8400e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4226e-01 
-XStrontianite:           8.5774e-01 
-XCa:                     9.0898e-01 
-XSr:                     9.1023e-02 
+XAragonite:              1.4385e-01 
+XStrontianite:           8.5615e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6646,10 +6647,10 @@ Simulation number:                4
 Reaction step number:           485 
 SrCO3 added:             4.8500e-03 
 Log Sigma pi:           -8.2974e+00 
-XAragonite:              1.4211e-01 
-XStrontianite:           8.5789e-01 
-XCa:                     9.0896e-01 
-XSr:                     9.1042e-02 
+XAragonite:              1.4353e-01 
+XStrontianite:           8.5647e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6658,11 +6659,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           486 
 SrCO3 added:             4.8600e-03 
-Log Sigma pi:           -8.2976e+00 
-XAragonite:              1.4207e-01 
-XStrontianite:           8.5793e-01 
-XCa:                     9.0893e-01 
-XSr:                     9.1074e-02 
+Log Sigma pi:           -8.2974e+00 
+XAragonite:              1.4321e-01 
+XStrontianite:           8.5679e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6671,11 +6672,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           487 
 SrCO3 added:             4.8700e-03 
-Log Sigma pi:           -8.2977e+00 
-XAragonite:              1.4203e-01 
-XStrontianite:           8.5797e-01 
-XCa:                     9.0889e-01 
-XSr:                     9.1106e-02 
+Log Sigma pi:           -8.2974e+00 
+XAragonite:              1.4289e-01 
+XStrontianite:           8.5711e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6684,11 +6685,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           488 
 SrCO3 added:             4.8800e-03 
-Log Sigma pi:           -8.2978e+00 
-XAragonite:              1.4198e-01 
-XStrontianite:           8.5802e-01 
-XCa:                     9.0886e-01 
-XSr:                     9.1138e-02 
+Log Sigma pi:           -8.2974e+00 
+XAragonite:              1.4257e-01 
+XStrontianite:           8.5743e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6697,11 +6698,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           489 
 SrCO3 added:             4.8900e-03 
-Log Sigma pi:           -8.2980e+00 
-XAragonite:              1.4194e-01 
-XStrontianite:           8.5806e-01 
-XCa:                     9.0883e-01 
-XSr:                     9.1170e-02 
+Log Sigma pi:           -8.2974e+00 
+XAragonite:              1.4226e-01 
+XStrontianite:           8.5774e-01 
+XCa:                     9.0147e-01 
+XSr:                     9.8526e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6710,11 +6711,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           490 
 SrCO3 added:             4.9000e-03 
-Log Sigma pi:           -8.2981e+00 
-XAragonite:              1.4190e-01 
-XStrontianite:           8.5810e-01 
-XCa:                     9.0880e-01 
-XSr:                     9.1202e-02 
+Log Sigma pi:           -8.2974e+00 
+XAragonite:              1.4211e-01 
+XStrontianite:           8.5789e-01 
+XCa:                     9.0145e-01 
+XSr:                     9.8548e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6723,11 +6724,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           491 
 SrCO3 added:             4.9100e-03 
-Log Sigma pi:           -8.2982e+00 
-XAragonite:              1.4186e-01 
-XStrontianite:           8.5814e-01 
-XCa:                     9.0877e-01 
-XSr:                     9.1234e-02 
+Log Sigma pi:           -8.2976e+00 
+XAragonite:              1.4206e-01 
+XStrontianite:           8.5794e-01 
+XCa:                     9.0142e-01 
+XSr:                     9.8584e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6736,11 +6737,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           492 
 SrCO3 added:             4.9200e-03 
-Log Sigma pi:           -8.2983e+00 
-XAragonite:              1.4181e-01 
-XStrontianite:           8.5819e-01 
-XCa:                     9.0873e-01 
-XSr:                     9.1266e-02 
+Log Sigma pi:           -8.2977e+00 
+XAragonite:              1.4202e-01 
+XStrontianite:           8.5798e-01 
+XCa:                     9.0138e-01 
+XSr:                     9.8620e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6749,11 +6750,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           493 
 SrCO3 added:             4.9300e-03 
-Log Sigma pi:           -8.2985e+00 
-XAragonite:              1.4177e-01 
-XStrontianite:           8.5823e-01 
-XCa:                     9.0870e-01 
-XSr:                     9.1298e-02 
+Log Sigma pi:           -8.2979e+00 
+XAragonite:              1.4197e-01 
+XStrontianite:           8.5803e-01 
+XCa:                     9.0134e-01 
+XSr:                     9.8656e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6762,11 +6763,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           494 
 SrCO3 added:             4.9400e-03 
-Log Sigma pi:           -8.2986e+00 
-XAragonite:              1.4173e-01 
-XStrontianite:           8.5827e-01 
-XCa:                     9.0867e-01 
-XSr:                     9.1330e-02 
+Log Sigma pi:           -8.2980e+00 
+XAragonite:              1.4193e-01 
+XStrontianite:           8.5807e-01 
+XCa:                     9.0131e-01 
+XSr:                     9.8692e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6775,11 +6776,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           495 
 SrCO3 added:             4.9500e-03 
-Log Sigma pi:           -8.2987e+00 
-XAragonite:              1.4169e-01 
-XStrontianite:           8.5831e-01 
-XCa:                     9.0864e-01 
-XSr:                     9.1362e-02 
+Log Sigma pi:           -8.2981e+00 
+XAragonite:              1.4188e-01 
+XStrontianite:           8.5812e-01 
+XCa:                     9.0127e-01 
+XSr:                     9.8728e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6788,11 +6789,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           496 
 SrCO3 added:             4.9600e-03 
-Log Sigma pi:           -8.2989e+00 
-XAragonite:              1.4165e-01 
-XStrontianite:           8.5835e-01 
-XCa:                     9.0861e-01 
-XSr:                     9.1394e-02 
+Log Sigma pi:           -8.2983e+00 
+XAragonite:              1.4184e-01 
+XStrontianite:           8.5816e-01 
+XCa:                     9.0124e-01 
+XSr:                     9.8764e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6801,11 +6802,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           497 
 SrCO3 added:             4.9700e-03 
-Log Sigma pi:           -8.2990e+00 
-XAragonite:              1.4160e-01 
-XStrontianite:           8.5840e-01 
-XCa:                     9.0857e-01 
-XSr:                     9.1426e-02 
+Log Sigma pi:           -8.2984e+00 
+XAragonite:              1.4179e-01 
+XStrontianite:           8.5821e-01 
+XCa:                     9.0120e-01 
+XSr:                     9.8800e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6814,11 +6815,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           498 
 SrCO3 added:             4.9800e-03 
-Log Sigma pi:           -8.2991e+00 
-XAragonite:              1.4156e-01 
-XStrontianite:           8.5844e-01 
-XCa:                     9.0854e-01 
-XSr:                     9.1458e-02 
+Log Sigma pi:           -8.2985e+00 
+XAragonite:              1.4175e-01 
+XStrontianite:           8.5825e-01 
+XCa:                     9.0116e-01 
+XSr:                     9.8836e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6827,11 +6828,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           499 
 SrCO3 added:             4.9900e-03 
-Log Sigma pi:           -8.2992e+00 
-XAragonite:              1.4152e-01 
-XStrontianite:           8.5848e-01 
-XCa:                     9.0851e-01 
-XSr:                     9.1490e-02 
+Log Sigma pi:           -8.2987e+00 
+XAragonite:              1.4170e-01 
+XStrontianite:           8.5830e-01 
+XCa:                     9.0113e-01 
+XSr:                     9.8872e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6840,11 +6841,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                4 
 Reaction step number:           500 
 SrCO3 added:             5.0000e-03 
-Log Sigma pi:           -8.2994e+00 
-XAragonite:              1.4148e-01 
-XStrontianite:           8.5852e-01 
-XCa:                     9.0848e-01 
-XSr:                     9.1522e-02 
+Log Sigma pi:           -8.2988e+00 
+XAragonite:              1.4166e-01 
+XStrontianite:           8.5834e-01 
+XCa:                     9.0109e-01 
+XSr:                     9.8908e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6859,11 +6860,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             1 
 SrCO3 added:             5.0000e-03 
-Log Sigma pi:           -8.2994e+00 
-XAragonite:              1.4148e-01 
-XStrontianite:           8.5852e-01 
-XCa:                     9.0848e-01 
-XSr:                     9.1522e-02 
+Log Sigma pi:           -8.2988e+00 
+XAragonite:              1.4166e-01 
+XStrontianite:           8.5834e-01 
+XCa:                     9.0109e-01 
+XSr:                     9.8908e-02 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6872,11 +6873,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             2 
 SrCO3 added:             1.0000e-02 
-Log Sigma pi:           -8.3561e+00 
-XAragonite:              1.2425e-01 
-XStrontianite:           8.7575e-01 
-XCa:                     8.9342e-01 
-XSr:                     1.0658e-01 
+Log Sigma pi:           -8.3590e+00 
+XAragonite:              1.2345e-01 
+XStrontianite:           8.7655e-01 
+XCa:                     8.8423e-01 
+XSr:                     1.1577e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6885,11 +6886,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             3 
 SrCO3 added:             1.5000e-02 
-Log Sigma pi:           -8.4019e+00 
-XAragonite:              1.1192e-01 
-XStrontianite:           8.8808e-01 
-XCa:                     8.7973e-01 
-XSr:                     1.2027e-01 
+Log Sigma pi:           -8.4069e+00 
+XAragonite:              1.1064e-01 
+XStrontianite:           8.8936e-01 
+XCa:                     8.6904e-01 
+XSr:                     1.3096e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6898,22 +6899,9 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             4 
 SrCO3 added:             2.0000e-02 
-Log Sigma pi:           -8.4405e+00 
-XAragonite:              1.0242e-01 
-XStrontianite:           8.9758e-01 
-XCa:                     8.6700e-01 
-XSr:                     1.3300e-01 
-Misc 1:                  4.8032e-03 
-Misc 2:                  8.5786e-01 
-
-----------------------------------User print-----------------------------------
-
-Simulation number:                5 
-Reaction step number:             5 
-SrCO3 added:             2.5000e-02 
-Log Sigma pi:           -8.4739e+00 
-XAragonite:              9.4788e-02 
-XStrontianite:           9.0521e-01 
+Log Sigma pi:           -8.4471e+00 
+XAragonite:              1.0088e-01 
+XStrontianite:           8.9912e-01 
 XCa:                     8.5501e-01 
 XSr:                     1.4499e-01 
 Misc 1:                  4.8032e-03 
@@ -6921,14 +6909,27 @@ Misc 2:                  8.5786e-01
 
 ----------------------------------User print-----------------------------------
 
+Simulation number:                5 
+Reaction step number:             5 
+SrCO3 added:             2.5000e-02 
+Log Sigma pi:           -8.4816e+00 
+XAragonite:              9.3095e-02 
+XStrontianite:           9.0690e-01 
+XCa:                     8.4188e-01 
+XSr:                     1.5812e-01 
+Misc 1:                  4.8032e-03 
+Misc 2:                  8.5786e-01 
+
+----------------------------------User print-----------------------------------
+
 Simulation number:                5 
 Reaction step number:             6 
 SrCO3 added:             3.0000e-02 
-Log Sigma pi:           -8.5033e+00 
-XAragonite:              8.8454e-02 
-XStrontianite:           9.1155e-01 
-XCa:                     8.4365e-01 
-XSr:                     1.5635e-01 
+Log Sigma pi:           -8.5119e+00 
+XAragonite:              8.6674e-02 
+XStrontianite:           9.1333e-01 
+XCa:                     8.2947e-01 
+XSr:                     1.7053e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6937,11 +6938,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             7 
 SrCO3 added:             3.5000e-02 
-Log Sigma pi:           -8.5296e+00 
-XAragonite:              8.3084e-02 
-XStrontianite:           9.1692e-01 
-XCa:                     8.3281e-01 
-XSr:                     1.6719e-01 
+Log Sigma pi:           -8.5389e+00 
+XAragonite:              8.1255e-02 
+XStrontianite:           9.1874e-01 
+XCa:                     8.1770e-01 
+XSr:                     1.8230e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6950,11 +6951,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             8 
 SrCO3 added:             4.0000e-02 
-Log Sigma pi:           -8.5534e+00 
-XAragonite:              7.8452e-02 
-XStrontianite:           9.2155e-01 
-XCa:                     8.2242e-01 
-XSr:                     1.7758e-01 
+Log Sigma pi:           -8.5632e+00 
+XAragonite:              7.6600e-02 
+XStrontianite:           9.2340e-01 
+XCa:                     8.0646e-01 
+XSr:                     1.9354e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6963,11 +6964,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:             9 
 SrCO3 added:             4.5000e-02 
-Log Sigma pi:           -8.5751e+00 
-XAragonite:              7.4402e-02 
-XStrontianite:           9.2560e-01 
-XCa:                     8.1245e-01 
-XSr:                     1.8755e-01 
+Log Sigma pi:           -8.5853e+00 
+XAragonite:              7.2542e-02 
+XStrontianite:           9.2746e-01 
+XCa:                     7.9570e-01 
+XSr:                     2.0430e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6976,11 +6977,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            10 
 SrCO3 added:             5.0000e-02 
-Log Sigma pi:           -8.5949e+00 
-XAragonite:              7.0821e-02 
-XStrontianite:           9.2918e-01 
-XCa:                     8.0284e-01 
-XSr:                     1.9716e-01 
+Log Sigma pi:           -8.6055e+00 
+XAragonite:              6.8965e-02 
+XStrontianite:           9.3104e-01 
+XCa:                     7.8538e-01 
+XSr:                     2.1462e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -6989,11 +6990,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            11 
 SrCO3 added:             5.5000e-02 
-Log Sigma pi:           -8.6133e+00 
-XAragonite:              6.7625e-02 
-XStrontianite:           9.3237e-01 
-XCa:                     7.9357e-01 
-XSr:                     2.0643e-01 
+Log Sigma pi:           -8.6242e+00 
+XAragonite:              6.5780e-02 
+XStrontianite:           9.3422e-01 
+XCa:                     7.7545e-01 
+XSr:                     2.2455e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7002,11 +7003,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            12 
 SrCO3 added:             6.0000e-02 
-Log Sigma pi:           -8.6303e+00 
-XAragonite:              6.4751e-02 
-XStrontianite:           9.3525e-01 
-XCa:                     7.8460e-01 
-XSr:                     2.1540e-01 
+Log Sigma pi:           -8.6414e+00 
+XAragonite:              6.2922e-02 
+XStrontianite:           9.3708e-01 
+XCa:                     7.6587e-01 
+XSr:                     2.3413e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7015,11 +7016,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            13 
 SrCO3 added:             6.5000e-02 
-Log Sigma pi:           -8.6462e+00 
-XAragonite:              6.2147e-02 
-XStrontianite:           9.3785e-01 
-XCa:                     7.7593e-01 
-XSr:                     2.2407e-01 
+Log Sigma pi:           -8.6575e+00 
+XAragonite:              6.0338e-02 
+XStrontianite:           9.3966e-01 
+XCa:                     7.5663e-01 
+XSr:                     2.4337e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7028,11 +7029,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            14 
 SrCO3 added:             7.0000e-02 
-Log Sigma pi:           -8.6610e+00 
-XAragonite:              5.9776e-02 
-XStrontianite:           9.4022e-01 
-XCa:                     7.6751e-01 
-XSr:                     2.3249e-01 
+Log Sigma pi:           -8.6725e+00 
+XAragonite:              5.7989e-02 
+XStrontianite:           9.4201e-01 
+XCa:                     7.4769e-01 
+XSr:                     2.5231e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7041,11 +7042,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            15 
 SrCO3 added:             7.5000e-02 
-Log Sigma pi:           -8.6750e+00 
-XAragonite:              5.7604e-02 
-XStrontianite:           9.4240e-01 
-XCa:                     7.5935e-01 
-XSr:                     2.4065e-01 
+Log Sigma pi:           -8.6866e+00 
+XAragonite:              5.5841e-02 
+XStrontianite:           9.4416e-01 
+XCa:                     7.3903e-01 
+XSr:                     2.6097e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7054,11 +7055,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            16 
 SrCO3 added:             8.0000e-02 
-Log Sigma pi:           -8.6881e+00 
-XAragonite:              5.5606e-02 
-XStrontianite:           9.4439e-01 
-XCa:                     7.5142e-01 
-XSr:                     2.4858e-01 
+Log Sigma pi:           -8.6998e+00 
+XAragonite:              5.3868e-02 
+XStrontianite:           9.4613e-01 
+XCa:                     7.3065e-01 
+XSr:                     2.6935e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7067,11 +7068,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            17 
 SrCO3 added:             8.5000e-02 
-Log Sigma pi:           -8.7005e+00 
-XAragonite:              5.3761e-02 
-XStrontianite:           9.4624e-01 
-XCa:                     7.4370e-01 
-XSr:                     2.5630e-01 
+Log Sigma pi:           -8.7122e+00 
+XAragonite:              5.2047e-02 
+XStrontianite:           9.4795e-01 
+XCa:                     7.2251e-01 
+XSr:                     2.7749e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7080,11 +7081,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            18 
 SrCO3 added:             9.0000e-02 
-Log Sigma pi:           -8.7122e+00 
-XAragonite:              5.2050e-02 
-XStrontianite:           9.4795e-01 
-XCa:                     7.3619e-01 
-XSr:                     2.6381e-01 
+Log Sigma pi:           -8.7240e+00 
+XAragonite:              5.0361e-02 
+XStrontianite:           9.4964e-01 
+XCa:                     7.1460e-01 
+XSr:                     2.8540e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7093,11 +7094,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            19 
 SrCO3 added:             9.5000e-02 
-Log Sigma pi:           -8.7234e+00 
-XAragonite:              5.0457e-02 
-XStrontianite:           9.4954e-01 
-XCa:                     7.2888e-01 
-XSr:                     2.7112e-01 
+Log Sigma pi:           -8.7352e+00 
+XAragonite:              4.8794e-02 
+XStrontianite:           9.5121e-01 
+XCa:                     7.0692e-01 
+XSr:                     2.9308e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7106,11 +7107,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                5 
 Reaction step number:            20 
 SrCO3 added:             1.0000e-01 
-Log Sigma pi:           -8.7339e+00 
-XAragonite:              4.8972e-02 
-XStrontianite:           9.5103e-01 
-XCa:                     7.2176e-01 
-XSr:                     2.7824e-01 
+Log Sigma pi:           -8.7458e+00 
+XAragonite:              4.7333e-02 
+XStrontianite:           9.5267e-01 
+XCa:                     6.9945e-01 
+XSr:                     3.0055e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7125,11 +7126,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             1 
 SrCO3 added:             1.0000e-01 
-Log Sigma pi:           -8.7339e+00 
-XAragonite:              4.8972e-02 
-XStrontianite:           9.5103e-01 
-XCa:                     7.2176e-01 
-XSr:                     2.7824e-01 
+Log Sigma pi:           -8.7458e+00 
+XAragonite:              4.7333e-02 
+XStrontianite:           9.5267e-01 
+XCa:                     6.9945e-01 
+XSr:                     3.0055e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7138,11 +7139,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             2 
 SrCO3 added:             2.0000e-01 
-Log Sigma pi:           -8.8751e+00 
-XAragonite:              3.1476e-02 
-XStrontianite:           9.6852e-01 
-XCa:                     6.0792e-01 
-XSr:                     3.9208e-01 
+Log Sigma pi:           -8.8865e+00 
+XAragonite:              3.0238e-02 
+XStrontianite:           9.6976e-01 
+XCa:                     5.8188e-01 
+XSr:                     4.1812e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7151,11 +7152,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             3 
 SrCO3 added:             3.0000e-01 
-Log Sigma pi:           -8.9520e+00 
-XAragonite:              2.3569e-02 
-XStrontianite:           9.7643e-01 
-XCa:                     5.2858e-01 
-XSr:                     4.7142e-01 
+Log Sigma pi:           -8.9624e+00 
+XAragonite:              2.2575e-02 
+XStrontianite:           9.7743e-01 
+XCa:                     5.0176e-01 
+XSr:                     4.9824e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7164,11 +7165,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             4 
 SrCO3 added:             4.0000e-01 
-Log Sigma pi:           -9.0019e+00 
-XAragonite:              1.8957e-02 
-XStrontianite:           9.8104e-01 
-XCa:                     4.6899e-01 
-XSr:                     5.3101e-01 
+Log Sigma pi:           -9.0114e+00 
+XAragonite:              1.8122e-02 
+XStrontianite:           9.8188e-01 
+XCa:                     4.4247e-01 
+XSr:                     5.5753e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7177,11 +7178,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             5 
 SrCO3 added:             5.0000e-01 
-Log Sigma pi:           -9.0375e+00 
-XAragonite:              1.5904e-02 
-XStrontianite:           9.8410e-01 
-XCa:                     4.2219e-01 
-XSr:                     5.7781e-01 
+Log Sigma pi:           -9.0462e+00 
+XAragonite:              1.5184e-02 
+XStrontianite:           9.8482e-01 
+XCa:                     3.9641e-01 
+XSr:                     6.0359e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7190,11 +7191,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             6 
 SrCO3 added:             6.0000e-01 
-Log Sigma pi:           -9.0643e+00 
-XAragonite:              1.3723e-02 
-XStrontianite:           9.8628e-01 
-XCa:                     3.8427e-01 
-XSr:                     6.1573e-01 
+Log Sigma pi:           -9.0724e+00 
+XAragonite:              1.3087e-02 
+XStrontianite:           9.8691e-01 
+XCa:                     3.5942e-01 
+XSr:                     6.4058e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7203,11 +7204,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             7 
 SrCO3 added:             7.0000e-01 
-Log Sigma pi:           -9.0854e+00 
-XAragonite:              1.2081e-02 
-XStrontianite:           9.8792e-01 
-XCa:                     3.5284e-01 
-XSr:                     6.4716e-01 
+Log Sigma pi:           -9.0929e+00 
+XAragonite:              1.1512e-02 
+XStrontianite:           9.8849e-01 
+XCa:                     3.2896e-01 
+XSr:                     6.7104e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7216,11 +7217,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             8 
 SrCO3 added:             8.0000e-01 
-Log Sigma pi:           -9.1024e+00 
-XAragonite:              1.0798e-02 
-XStrontianite:           9.8920e-01 
-XCa:                     3.2631e-01 
-XSr:                     6.7369e-01 
+Log Sigma pi:           -9.1094e+00 
+XAragonite:              1.0282e-02 
+XStrontianite:           9.8972e-01 
+XCa:                     3.0340e-01 
+XSr:                     6.9660e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7229,11 +7230,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:             9 
 SrCO3 added:             9.0000e-01 
-Log Sigma pi:           -9.1165e+00 
-XAragonite:              9.7659e-03 
-XStrontianite:           9.9023e-01 
-XCa:                     3.0358e-01 
-XSr:                     6.9642e-01 
+Log Sigma pi:           -9.1231e+00 
+XAragonite:              9.2937e-03 
+XStrontianite:           9.9071e-01 
+XCa:                     2.8162e-01 
+XSr:                     7.1838e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7242,11 +7243,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            10 
 SrCO3 added:                      1 
-Log Sigma pi:           -9.1284e+00 
-XAragonite:              8.9171e-03 
-XStrontianite:           9.9108e-01 
-XCa:                     2.8389e-01 
-XSr:                     7.1611e-01 
+Log Sigma pi:           -9.1345e+00 
+XAragonite:              8.4817e-03 
+XStrontianite:           9.9152e-01 
+XCa:                     2.6282e-01 
+XSr:                     7.3718e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7255,11 +7256,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            11 
 SrCO3 added:             1.1000e+00 
-Log Sigma pi:           -9.1385e+00 
-XAragonite:              8.2062e-03 
-XStrontianite:           9.9179e-01 
-XCa:                     2.6664e-01 
-XSr:                     7.3336e-01 
+Log Sigma pi:           -9.1443e+00 
+XAragonite:              7.8020e-03 
+XStrontianite:           9.9220e-01 
+XCa:                     2.4642e-01 
+XSr:                     7.5358e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7268,11 +7269,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            12 
 SrCO3 added:             1.2000e+00 
-Log Sigma pi:           -9.1472e+00 
-XAragonite:              7.6017e-03 
-XStrontianite:           9.9240e-01 
-XCa:                     2.5140e-01 
-XSr:                     7.4860e-01 
+Log Sigma pi:           -9.1528e+00 
+XAragonite:              7.2245e-03 
+XStrontianite:           9.9278e-01 
+XCa:                     2.3197e-01 
+XSr:                     7.6803e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7281,11 +7282,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            13 
 SrCO3 added:             1.3000e+00 
-Log Sigma pi:           -9.1549e+00 
-XAragonite:              7.0811e-03 
-XStrontianite:           9.9292e-01 
-XCa:                     2.3784e-01 
-XSr:                     7.6216e-01 
+Log Sigma pi:           -9.1601e+00 
+XAragonite:              6.7275e-03 
+XStrontianite:           9.9327e-01 
+XCa:                     2.1915e-01 
+XSr:                     7.8085e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7294,11 +7295,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            14 
 SrCO3 added:             1.4000e+00 
-Log Sigma pi:           -9.1616e+00 
-XAragonite:              6.6281e-03 
-XStrontianite:           9.9337e-01 
-XCa:                     2.2568e-01 
-XSr:                     7.7432e-01 
+Log Sigma pi:           -9.1666e+00 
+XAragonite:              6.2951e-03 
+XStrontianite:           9.9370e-01 
+XCa:                     2.0769e-01 
+XSr:                     7.9231e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7307,11 +7308,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            15 
 SrCO3 added:             1.5000e+00 
-Log Sigma pi:           -9.1676e+00 
-XAragonite:              6.2301e-03 
-XStrontianite:           9.9377e-01 
-XCa:                     2.1472e-01 
-XSr:                     7.8528e-01 
+Log Sigma pi:           -9.1724e+00 
+XAragonite:              5.9155e-03 
+XStrontianite:           9.9408e-01 
+XCa:                     1.9738e-01 
+XSr:                     8.0262e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7320,11 +7321,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            16 
 SrCO3 added:             1.6000e+00 
-Log Sigma pi:           -9.1730e+00 
-XAragonite:              5.8776e-03 
-XStrontianite:           9.9412e-01 
-XCa:                     2.0479e-01 
-XSr:                     7.9521e-01 
+Log Sigma pi:           -9.1775e+00 
+XAragonite:              5.5795e-03 
+XStrontianite:           9.9442e-01 
+XCa:                     1.8805e-01 
+XSr:                     8.1195e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7333,11 +7334,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            17 
 SrCO3 added:             1.7000e+00 
-Log Sigma pi:           -9.1778e+00 
-XAragonite:              5.5632e-03 
-XStrontianite:           9.9444e-01 
-XCa:                     1.9574e-01 
-XSr:                     8.0426e-01 
+Log Sigma pi:           -9.1822e+00 
+XAragonite:              5.2798e-03 
+XStrontianite:           9.9472e-01 
+XCa:                     1.7958e-01 
+XSr:                     8.2042e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7346,11 +7347,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            18 
 SrCO3 added:             1.8000e+00 
-Log Sigma pi:           -9.1822e+00 
-XAragonite:              5.2810e-03 
-XStrontianite:           9.9472e-01 
-XCa:                     1.8747e-01 
-XSr:                     8.1253e-01 
+Log Sigma pi:           -9.1864e+00 
+XAragonite:              5.0109e-03 
+XStrontianite:           9.9499e-01 
+XCa:                     1.7184e-01 
+XSr:                     8.2816e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7359,11 +7360,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            19 
 SrCO3 added:             1.9000e+00 
-Log Sigma pi:           -9.1861e+00 
-XAragonite:              5.0263e-03 
-XStrontianite:           9.9497e-01 
-XCa:                     1.7987e-01 
-XSr:                     8.2013e-01 
+Log Sigma pi:           -9.1902e+00 
+XAragonite:              4.7683e-03 
+XStrontianite:           9.9523e-01 
+XCa:                     1.6475e-01 
+XSr:                     8.3525e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7372,11 +7373,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            20 
 SrCO3 added:                      2 
-Log Sigma pi:           -9.1898e+00 
-XAragonite:              4.7951e-03 
-XStrontianite:           9.9520e-01 
-XCa:                     1.7287e-01 
-XSr:                     8.2713e-01 
+Log Sigma pi:           -9.1937e+00 
+XAragonite:              4.5482e-03 
+XStrontianite:           9.9545e-01 
+XCa:                     1.5822e-01 
+XSr:                     8.4178e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7385,11 +7386,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            21 
 SrCO3 added:             2.1000e+00 
-Log Sigma pi:           -9.1931e+00 
-XAragonite:              4.5844e-03 
-XStrontianite:           9.9542e-01 
-XCa:                     1.6640e-01 
-XSr:                     8.3360e-01 
+Log Sigma pi:           -9.1969e+00 
+XAragonite:              4.3477e-03 
+XStrontianite:           9.9565e-01 
+XCa:                     1.5219e-01 
+XSr:                     8.4781e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7398,11 +7399,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            22 
 SrCO3 added:             2.2000e+00 
-Log Sigma pi:           -9.1962e+00 
-XAragonite:              4.3916e-03 
-XStrontianite:           9.9561e-01 
-XCa:                     1.6040e-01 
-XSr:                     8.3960e-01 
+Log Sigma pi:           -9.1998e+00 
+XAragonite:              4.1641e-03 
+XStrontianite:           9.9584e-01 
+XCa:                     1.4661e-01 
+XSr:                     8.5339e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7411,11 +7412,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            23 
 SrCO3 added:             2.3000e+00 
-Log Sigma pi:           -9.1990e+00 
-XAragonite:              4.2144e-03 
-XStrontianite:           9.9579e-01 
-XCa:                     1.5481e-01 
-XSr:                     8.4519e-01 
+Log Sigma pi:           -9.2025e+00 
+XAragonite:              3.9956e-03 
+XStrontianite:           9.9600e-01 
+XCa:                     1.4143e-01 
+XSr:                     8.5857e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7424,11 +7425,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            24 
 SrCO3 added:             2.4000e+00 
-Log Sigma pi:           -9.2016e+00 
-XAragonite:              4.0510e-03 
-XStrontianite:           9.9595e-01 
-XCa:                     1.4961e-01 
-XSr:                     8.5039e-01 
+Log Sigma pi:           -9.2050e+00 
+XAragonite:              3.8402e-03 
+XStrontianite:           9.9616e-01 
+XCa:                     1.3660e-01 
+XSr:                     8.6340e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7437,11 +7438,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            25 
 SrCO3 added:             2.5000e+00 
-Log Sigma pi:           -9.2040e+00 
-XAragonite:              3.8999e-03 
-XStrontianite:           9.9610e-01 
-XCa:                     1.4475e-01 
-XSr:                     8.5525e-01 
+Log Sigma pi:           -9.2073e+00 
+XAragonite:              3.6964e-03 
+XStrontianite:           9.9630e-01 
+XCa:                     1.3209e-01 
+XSr:                     8.6791e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7450,11 +7451,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            26 
 SrCO3 added:             2.6000e+00 
-Log Sigma pi:           -9.2063e+00 
-XAragonite:              3.7597e-03 
-XStrontianite:           9.9624e-01 
-XCa:                     1.4019e-01 
-XSr:                     8.5981e-01 
+Log Sigma pi:           -9.2095e+00 
+XAragonite:              3.5631e-03 
+XStrontianite:           9.9644e-01 
+XCa:                     1.2787e-01 
+XSr:                     8.7213e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7463,11 +7464,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            27 
 SrCO3 added:             2.7000e+00 
-Log Sigma pi:           -9.2084e+00 
-XAragonite:              3.6292e-03 
-XStrontianite:           9.9637e-01 
-XCa:                     1.3591e-01 
-XSr:                     8.6409e-01 
+Log Sigma pi:           -9.2115e+00 
+XAragonite:              3.4392e-03 
+XStrontianite:           9.9656e-01 
+XCa:                     1.2391e-01 
+XSr:                     8.7609e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7476,11 +7477,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            28 
 SrCO3 added:             2.8000e+00 
-Log Sigma pi:           -9.2104e+00 
-XAragonite:              3.5076e-03 
-XStrontianite:           9.9649e-01 
-XCa:                     1.3189e-01 
-XSr:                     8.6811e-01 
+Log Sigma pi:           -9.2134e+00 
+XAragonite:              3.3235e-03 
+XStrontianite:           9.9668e-01 
+XCa:                     1.2020e-01 
+XSr:                     8.7980e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7489,11 +7490,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            29 
 SrCO3 added:             2.9000e+00 
-Log Sigma pi:           -9.2123e+00 
-XAragonite:              3.3939e-03 
-XStrontianite:           9.9661e-01 
-XCa:                     1.2810e-01 
-XSr:                     8.7190e-01 
+Log Sigma pi:           -9.2152e+00 
+XAragonite:              3.2155e-03 
+XStrontianite:           9.9678e-01 
+XCa:                     1.1670e-01 
+XSr:                     8.8330e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7502,11 +7503,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            30 
 SrCO3 added:                      3 
-Log Sigma pi:           -9.2140e+00 
-XAragonite:              3.2873e-03 
-XStrontianite:           9.9671e-01 
-XCa:                     1.2452e-01 
-XSr:                     8.7548e-01 
+Log Sigma pi:           -9.2169e+00 
+XAragonite:              3.1142e-03 
+XStrontianite:           9.9689e-01 
+XCa:                     1.1339e-01 
+XSr:                     8.8661e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7515,11 +7516,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            31 
 SrCO3 added:             3.1000e+00 
-Log Sigma pi:           -9.2157e+00 
-XAragonite:              3.1873e-03 
-XStrontianite:           9.9681e-01 
-XCa:                     1.2114e-01 
-XSr:                     8.7886e-01 
+Log Sigma pi:           -9.2185e+00 
+XAragonite:              3.0192e-03 
+XStrontianite:           9.9698e-01 
+XCa:                     1.1027e-01 
+XSr:                     8.8973e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7528,11 +7529,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            32 
 SrCO3 added:             3.2000e+00 
-Log Sigma pi:           -9.2172e+00 
-XAragonite:              3.0931e-03 
-XStrontianite:           9.9691e-01 
-XCa:                     1.1794e-01 
-XSr:                     8.8206e-01 
+Log Sigma pi:           -9.2199e+00 
+XAragonite:              2.9298e-03 
+XStrontianite:           9.9707e-01 
+XCa:                     1.0732e-01 
+XSr:                     8.9268e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7541,11 +7542,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            33 
 SrCO3 added:             3.3000e+00 
-Log Sigma pi:           -9.2187e+00 
-XAragonite:              3.0044e-03 
-XStrontianite:           9.9700e-01 
-XCa:                     1.1490e-01 
-XSr:                     8.8510e-01 
+Log Sigma pi:           -9.2213e+00 
+XAragonite:              2.8456e-03 
+XStrontianite:           9.9715e-01 
+XCa:                     1.0453e-01 
+XSr:                     8.9547e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7554,11 +7555,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            34 
 SrCO3 added:             3.4000e+00 
-Log Sigma pi:           -9.2201e+00 
-XAragonite:              2.9207e-03 
-XStrontianite:           9.9708e-01 
-XCa:                     1.1202e-01 
-XSr:                     8.8798e-01 
+Log Sigma pi:           -9.2227e+00 
+XAragonite:              2.7661e-03 
+XStrontianite:           9.9723e-01 
+XCa:                     1.0187e-01 
+XSr:                     8.9813e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7567,11 +7568,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            35 
 SrCO3 added:             3.5000e+00 
-Log Sigma pi:           -9.2214e+00 
-XAragonite:              2.8415e-03 
-XStrontianite:           9.9716e-01 
-XCa:                     1.0927e-01 
-XSr:                     8.9073e-01 
+Log Sigma pi:           -9.2239e+00 
+XAragonite:              2.6909e-03 
+XStrontianite:           9.9731e-01 
+XCa:                     9.9347e-02 
+XSr:                     9.0065e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7580,11 +7581,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            36 
 SrCO3 added:             3.6000e+00 
-Log Sigma pi:           -9.2227e+00 
-XAragonite:              2.7665e-03 
-XStrontianite:           9.9723e-01 
-XCa:                     1.0666e-01 
-XSr:                     8.9334e-01 
+Log Sigma pi:           -9.2251e+00 
+XAragonite:              2.6197e-03 
+XStrontianite:           9.9738e-01 
+XCa:                     9.6947e-02 
+XSr:                     9.0305e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7593,11 +7594,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            37 
 SrCO3 added:             3.7000e+00 
-Log Sigma pi:           -9.2239e+00 
-XAragonite:              2.6954e-03 
-XStrontianite:           9.9730e-01 
-XCa:                     1.0417e-01 
-XSr:                     8.9583e-01 
+Log Sigma pi:           -9.2263e+00 
+XAragonite:              2.5522e-03 
+XStrontianite:           9.9745e-01 
+XCa:                     9.4659e-02 
+XSr:                     9.0534e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7606,11 +7607,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            38 
 SrCO3 added:             3.8000e+00 
-Log Sigma pi:           -9.2250e+00 
-XAragonite:              2.6278e-03 
-XStrontianite:           9.9737e-01 
-XCa:                     1.0180e-01 
-XSr:                     8.9820e-01 
+Log Sigma pi:           -9.2273e+00 
+XAragonite:              2.4881e-03 
+XStrontianite:           9.9751e-01 
+XCa:                     9.2478e-02 
+XSr:                     9.0752e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7619,11 +7620,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            39 
 SrCO3 added:             3.9000e+00 
-Log Sigma pi:           -9.2261e+00 
-XAragonite:              2.5636e-03 
-XStrontianite:           9.9744e-01 
-XCa:                     9.9529e-02 
-XSr:                     9.0047e-01 
+Log Sigma pi:           -9.2284e+00 
+XAragonite:              2.4271e-03 
+XStrontianite:           9.9757e-01 
+XCa:                     9.0395e-02 
+XSr:                     9.0961e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7632,11 +7633,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            40 
 SrCO3 added:                      4 
-Log Sigma pi:           -9.2271e+00 
-XAragonite:              2.5024e-03 
-XStrontianite:           9.9750e-01 
-XCa:                     9.7359e-02 
-XSr:                     9.0264e-01 
+Log Sigma pi:           -9.2294e+00 
+XAragonite:              2.3690e-03 
+XStrontianite:           9.9763e-01 
+XCa:                     8.8404e-02 
+XSr:                     9.1160e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7645,11 +7646,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            41 
 SrCO3 added:             4.1000e+00 
-Log Sigma pi:           -9.2281e+00 
-XAragonite:              2.4441e-03 
-XStrontianite:           9.9756e-01 
-XCa:                     9.5282e-02 
-XSr:                     9.0472e-01 
+Log Sigma pi:           -9.2303e+00 
+XAragonite:              2.3137e-03 
+XStrontianite:           9.9769e-01 
+XCa:                     8.6499e-02 
+XSr:                     9.1350e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7658,11 +7659,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            42 
 SrCO3 added:             4.2000e+00 
-Log Sigma pi:           -9.2290e+00 
-XAragonite:              2.3884e-03 
-XStrontianite:           9.9761e-01 
-XCa:                     9.3292e-02 
-XSr:                     9.0671e-01 
+Log Sigma pi:           -9.2312e+00 
+XAragonite:              2.2609e-03 
+XStrontianite:           9.9774e-01 
+XCa:                     8.4674e-02 
+XSr:                     9.1533e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7671,11 +7672,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            43 
 SrCO3 added:             4.3000e+00 
-Log Sigma pi:           -9.2299e+00 
-XAragonite:              2.3353e-03 
-XStrontianite:           9.9766e-01 
-XCa:                     9.1384e-02 
-XSr:                     9.0862e-01 
+Log Sigma pi:           -9.2320e+00 
+XAragonite:              2.2105e-03 
+XStrontianite:           9.9779e-01 
+XCa:                     8.2925e-02 
+XSr:                     9.1707e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7684,11 +7685,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            44 
 SrCO3 added:             4.4000e+00 
-Log Sigma pi:           -9.2308e+00 
-XAragonite:              2.2844e-03 
-XStrontianite:           9.9772e-01 
-XCa:                     8.9552e-02 
-XSr:                     9.1045e-01 
+Log Sigma pi:           -9.2329e+00 
+XAragonite:              2.1623e-03 
+XStrontianite:           9.9784e-01 
+XCa:                     8.1247e-02 
+XSr:                     9.1875e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7697,11 +7698,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            45 
 SrCO3 added:             4.5000e+00 
-Log Sigma pi:           -9.2316e+00 
-XAragonite:              2.2358e-03 
-XStrontianite:           9.9776e-01 
-XCa:                     8.7792e-02 
-XSr:                     9.1221e-01 
+Log Sigma pi:           -9.2337e+00 
+XAragonite:              2.1161e-03 
+XStrontianite:           9.9788e-01 
+XCa:                     7.9636e-02 
+XSr:                     9.2036e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7710,11 +7711,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            46 
 SrCO3 added:             4.6000e+00 
-Log Sigma pi:           -9.2324e+00 
-XAragonite:              2.1891e-03 
-XStrontianite:           9.9781e-01 
-XCa:                     8.6101e-02 
-XSr:                     9.1390e-01 
+Log Sigma pi:           -9.2344e+00 
+XAragonite:              2.0719e-03 
+XStrontianite:           9.9793e-01 
+XCa:                     7.8087e-02 
+XSr:                     9.2191e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7723,11 +7724,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            47 
 SrCO3 added:             4.7000e+00 
-Log Sigma pi:           -9.2332e+00 
-XAragonite:              2.1444e-03 
-XStrontianite:           9.9786e-01 
-XCa:                     8.4473e-02 
-XSr:                     9.1553e-01 
+Log Sigma pi:           -9.2351e+00 
+XAragonite:              2.0294e-03 
+XStrontianite:           9.9797e-01 
+XCa:                     7.6598e-02 
+XSr:                     9.2340e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7736,11 +7737,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            48 
 SrCO3 added:             4.8000e+00 
-Log Sigma pi:           -9.2339e+00 
-XAragonite:              2.1014e-03 
-XStrontianite:           9.9790e-01 
-XCa:                     8.2906e-02 
-XSr:                     9.1709e-01 
+Log Sigma pi:           -9.2358e+00 
+XAragonite:              1.9887e-03 
+XStrontianite:           9.9801e-01 
+XCa:                     7.5164e-02 
+XSr:                     9.2484e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7749,11 +7750,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            49 
 SrCO3 added:             4.9000e+00 
-Log Sigma pi:           -9.2346e+00 
-XAragonite:              2.0602e-03 
-XStrontianite:           9.9794e-01 
-XCa:                     8.1396e-02 
-XSr:                     9.1860e-01 
+Log Sigma pi:           -9.2365e+00 
+XAragonite:              1.9496e-03 
+XStrontianite:           9.9805e-01 
+XCa:                     7.3784e-02 
+XSr:                     9.2622e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7762,11 +7763,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            50 
 SrCO3 added:                      5 
-Log Sigma pi:           -9.2353e+00 
-XAragonite:              2.0205e-03 
-XStrontianite:           9.9798e-01 
-XCa:                     7.9940e-02 
-XSr:                     9.2006e-01 
+Log Sigma pi:           -9.2371e+00 
+XAragonite:              1.9120e-03 
+XStrontianite:           9.9809e-01 
+XCa:                     7.2453e-02 
+XSr:                     9.2755e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7775,11 +7776,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            51 
 SrCO3 added:             5.1000e+00 
-Log Sigma pi:           -9.2359e+00 
-XAragonite:              1.9824e-03 
-XStrontianite:           9.9802e-01 
-XCa:                     7.8535e-02 
-XSr:                     9.2146e-01 
+Log Sigma pi:           -9.2378e+00 
+XAragonite:              1.8758e-03 
+XStrontianite:           9.9812e-01 
+XCa:                     7.1169e-02 
+XSr:                     9.2883e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7788,11 +7789,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            52 
 SrCO3 added:             5.2000e+00 
-Log Sigma pi:           -9.2366e+00 
-XAragonite:              1.9456e-03 
-XStrontianite:           9.9805e-01 
-XCa:                     7.7179e-02 
-XSr:                     9.2282e-01 
+Log Sigma pi:           -9.2384e+00 
+XAragonite:              1.8410e-03 
+XStrontianite:           9.9816e-01 
+XCa:                     6.9930e-02 
+XSr:                     9.3007e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7801,11 +7802,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            53 
 SrCO3 added:             5.3000e+00 
-Log Sigma pi:           -9.2372e+00 
-XAragonite:              1.9102e-03 
-XStrontianite:           9.9809e-01 
-XCa:                     7.5869e-02 
-XSr:                     9.2413e-01 
+Log Sigma pi:           -9.2389e+00 
+XAragonite:              1.8074e-03 
+XStrontianite:           9.9819e-01 
+XCa:                     6.8733e-02 
+XSr:                     9.3127e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7814,11 +7815,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            54 
 SrCO3 added:             5.4000e+00 
-Log Sigma pi:           -9.2378e+00 
-XAragonite:              1.8761e-03 
-XStrontianite:           9.9812e-01 
-XCa:                     7.4603e-02 
-XSr:                     9.2540e-01 
+Log Sigma pi:           -9.2395e+00 
+XAragonite:              1.7751e-03 
+XStrontianite:           9.9822e-01 
+XCa:                     6.7577e-02 
+XSr:                     9.3242e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7827,11 +7828,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            55 
 SrCO3 added:             5.5000e+00 
-Log Sigma pi:           -9.2383e+00 
-XAragonite:              1.8432e-03 
-XStrontianite:           9.9816e-01 
-XCa:                     7.3379e-02 
-XSr:                     9.2662e-01 
+Log Sigma pi:           -9.2400e+00 
+XAragonite:              1.7439e-03 
+XStrontianite:           9.9826e-01 
+XCa:                     6.6459e-02 
+XSr:                     9.3354e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7840,11 +7841,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            56 
 SrCO3 added:             5.6000e+00 
-Log Sigma pi:           -9.2389e+00 
-XAragonite:              1.8114e-03 
-XStrontianite:           9.9819e-01 
-XCa:                     7.2194e-02 
-XSr:                     9.2781e-01 
+Log Sigma pi:           -9.2406e+00 
+XAragonite:              1.7137e-03 
+XStrontianite:           9.9829e-01 
+XCa:                     6.5378e-02 
+XSr:                     9.3462e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7853,11 +7854,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            57 
 SrCO3 added:             5.7000e+00 
-Log Sigma pi:           -9.2394e+00 
-XAragonite:              1.7806e-03 
-XStrontianite:           9.9822e-01 
-XCa:                     7.1046e-02 
-XSr:                     9.2895e-01 
+Log Sigma pi:           -9.2411e+00 
+XAragonite:              1.6846e-03 
+XStrontianite:           9.9832e-01 
+XCa:                     6.4331e-02 
+XSr:                     9.3567e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7866,11 +7867,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            58 
 SrCO3 added:             5.8000e+00 
-Log Sigma pi:           -9.2399e+00 
-XAragonite:              1.7509e-03 
-XStrontianite:           9.9825e-01 
-XCa:                     6.9935e-02 
-XSr:                     9.3006e-01 
+Log Sigma pi:           -9.2415e+00 
+XAragonite:              1.6565e-03 
+XStrontianite:           9.9834e-01 
+XCa:                     6.3317e-02 
+XSr:                     9.3668e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7879,11 +7880,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            59 
 SrCO3 added:             5.9000e+00 
-Log Sigma pi:           -9.2404e+00 
-XAragonite:              1.7222e-03 
-XStrontianite:           9.9828e-01 
-XCa:                     6.8858e-02 
-XSr:                     9.3114e-01 
+Log Sigma pi:           -9.2420e+00 
+XAragonite:              1.6293e-03 
+XStrontianite:           9.9837e-01 
+XCa:                     6.2335e-02 
+XSr:                     9.3766e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7892,11 +7893,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            60 
 SrCO3 added:                      6 
-Log Sigma pi:           -9.2409e+00 
-XAragonite:              1.6944e-03 
-XStrontianite:           9.9831e-01 
-XCa:                     6.7814e-02 
-XSr:                     9.3219e-01 
+Log Sigma pi:           -9.2425e+00 
+XAragonite:              1.6029e-03 
+XStrontianite:           9.9840e-01 
+XCa:                     6.1383e-02 
+XSr:                     9.3862e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7905,11 +7906,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            61 
 SrCO3 added:             6.1000e+00 
-Log Sigma pi:           -9.2414e+00 
-XAragonite:              1.6675e-03 
-XStrontianite:           9.9833e-01 
-XCa:                     6.6801e-02 
-XSr:                     9.3320e-01 
+Log Sigma pi:           -9.2429e+00 
+XAragonite:              1.5774e-03 
+XStrontianite:           9.9842e-01 
+XCa:                     6.0459e-02 
+XSr:                     9.3954e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7918,11 +7919,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            62 
 SrCO3 added:             6.2000e+00 
-Log Sigma pi:           -9.2418e+00 
-XAragonite:              1.6415e-03 
-XStrontianite:           9.9836e-01 
-XCa:                     6.5817e-02 
-XSr:                     9.3418e-01 
+Log Sigma pi:           -9.2433e+00 
+XAragonite:              1.5527e-03 
+XStrontianite:           9.9845e-01 
+XCa:                     5.9563e-02 
+XSr:                     9.4044e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7931,11 +7932,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            63 
 SrCO3 added:             6.3000e+00 
-Log Sigma pi:           -9.2422e+00 
-XAragonite:              1.6162e-03 
-XStrontianite:           9.9838e-01 
-XCa:                     6.4863e-02 
-XSr:                     9.3514e-01 
+Log Sigma pi:           -9.2438e+00 
+XAragonite:              1.5288e-03 
+XStrontianite:           9.9847e-01 
+XCa:                     5.8693e-02 
+XSr:                     9.4131e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7944,11 +7945,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            64 
 SrCO3 added:             6.4000e+00 
-Log Sigma pi:           -9.2427e+00 
-XAragonite:              1.5917e-03 
-XStrontianite:           9.9841e-01 
-XCa:                     6.3935e-02 
-XSr:                     9.3606e-01 
+Log Sigma pi:           -9.2442e+00 
+XAragonite:              1.5056e-03 
+XStrontianite:           9.9849e-01 
+XCa:                     5.7848e-02 
+XSr:                     9.4215e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7957,11 +7958,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            65 
 SrCO3 added:             6.5000e+00 
-Log Sigma pi:           -9.2431e+00 
-XAragonite:              1.5680e-03 
-XStrontianite:           9.9843e-01 
-XCa:                     6.3034e-02 
-XSr:                     9.3697e-01 
+Log Sigma pi:           -9.2446e+00 
+XAragonite:              1.4831e-03 
+XStrontianite:           9.9852e-01 
+XCa:                     5.7027e-02 
+XSr:                     9.4297e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7970,11 +7971,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            66 
 SrCO3 added:             6.6000e+00 
-Log Sigma pi:           -9.2435e+00 
-XAragonite:              1.5449e-03 
-XStrontianite:           9.9846e-01 
-XCa:                     6.2158e-02 
-XSr:                     9.3784e-01 
+Log Sigma pi:           -9.2449e+00 
+XAragonite:              1.4612e-03 
+XStrontianite:           9.9854e-01 
+XCa:                     5.6230e-02 
+XSr:                     9.4377e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7983,11 +7984,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            67 
 SrCO3 added:             6.7000e+00 
-Log Sigma pi:           -9.2439e+00 
-XAragonite:              1.5225e-03 
-XStrontianite:           9.9848e-01 
-XCa:                     6.1306e-02 
-XSr:                     9.3869e-01 
+Log Sigma pi:           -9.2453e+00 
+XAragonite:              1.4400e-03 
+XStrontianite:           9.9856e-01 
+XCa:                     5.5454e-02 
+XSr:                     9.4455e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -7996,11 +7997,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            68 
 SrCO3 added:             6.8000e+00 
-Log Sigma pi:           -9.2442e+00 
-XAragonite:              1.5007e-03 
-XStrontianite:           9.9850e-01 
-XCa:                     6.0477e-02 
-XSr:                     9.3952e-01 
+Log Sigma pi:           -9.2457e+00 
+XAragonite:              1.4194e-03 
+XStrontianite:           9.9858e-01 
+XCa:                     5.4699e-02 
+XSr:                     9.4530e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8009,11 +8010,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            69 
 SrCO3 added:             6.9000e+00 
-Log Sigma pi:           -9.2446e+00 
-XAragonite:              1.4796e-03 
-XStrontianite:           9.9852e-01 
-XCa:                     5.9670e-02 
-XSr:                     9.4033e-01 
+Log Sigma pi:           -9.2460e+00 
+XAragonite:              1.3994e-03 
+XStrontianite:           9.9860e-01 
+XCa:                     5.3965e-02 
+XSr:                     9.4604e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8022,11 +8023,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            70 
 SrCO3 added:                      7 
-Log Sigma pi:           -9.2450e+00 
-XAragonite:              1.4591e-03 
-XStrontianite:           9.9854e-01 
-XCa:                     5.8885e-02 
-XSr:                     9.4112e-01 
+Log Sigma pi:           -9.2464e+00 
+XAragonite:              1.3799e-03 
+XStrontianite:           9.9862e-01 
+XCa:                     5.3250e-02 
+XSr:                     9.4675e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8035,11 +8036,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            71 
 SrCO3 added:             7.1000e+00 
-Log Sigma pi:           -9.2453e+00 
-XAragonite:              1.4391e-03 
-XStrontianite:           9.9856e-01 
-XCa:                     5.8119e-02 
-XSr:                     9.4188e-01 
+Log Sigma pi:           -9.2467e+00 
+XAragonite:              1.3610e-03 
+XStrontianite:           9.9864e-01 
+XCa:                     5.2553e-02 
+XSr:                     9.4745e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8048,11 +8049,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            72 
 SrCO3 added:             7.2000e+00 
-Log Sigma pi:           -9.2457e+00 
-XAragonite:              1.4196e-03 
-XStrontianite:           9.9858e-01 
-XCa:                     5.7374e-02 
-XSr:                     9.4263e-01 
+Log Sigma pi:           -9.2470e+00 
+XAragonite:              1.3426e-03 
+XStrontianite:           9.9866e-01 
+XCa:                     5.1875e-02 
+XSr:                     9.4812e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8061,11 +8062,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            73 
 SrCO3 added:             7.3000e+00 
-Log Sigma pi:           -9.2460e+00 
-XAragonite:              1.4007e-03 
-XStrontianite:           9.9860e-01 
-XCa:                     5.6647e-02 
-XSr:                     9.4335e-01 
+Log Sigma pi:           -9.2473e+00 
+XAragonite:              1.3247e-03 
+XStrontianite:           9.9868e-01 
+XCa:                     5.1214e-02 
+XSr:                     9.4879e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8074,11 +8075,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            74 
 SrCO3 added:             7.4000e+00 
-Log Sigma pi:           -9.2463e+00 
-XAragonite:              1.3823e-03 
-XStrontianite:           9.9862e-01 
-XCa:                     5.5939e-02 
-XSr:                     9.4406e-01 
+Log Sigma pi:           -9.2476e+00 
+XAragonite:              1.3072e-03 
+XStrontianite:           9.9869e-01 
+XCa:                     5.0570e-02 
+XSr:                     9.4943e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8087,11 +8088,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            75 
 SrCO3 added:             7.5000e+00 
-Log Sigma pi:           -9.2466e+00 
-XAragonite:              1.3643e-03 
-XStrontianite:           9.9864e-01 
-XCa:                     5.5248e-02 
-XSr:                     9.4475e-01 
+Log Sigma pi:           -9.2479e+00 
+XAragonite:              1.2902e-03 
+XStrontianite:           9.9871e-01 
+XCa:                     4.9942e-02 
+XSr:                     9.5006e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8100,11 +8101,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            76 
 SrCO3 added:             7.6000e+00 
-Log Sigma pi:           -9.2469e+00 
-XAragonite:              1.3468e-03 
-XStrontianite:           9.9865e-01 
-XCa:                     5.4574e-02 
-XSr:                     9.4543e-01 
+Log Sigma pi:           -9.2482e+00 
+XAragonite:              1.2737e-03 
+XStrontianite:           9.9873e-01 
+XCa:                     4.9329e-02 
+XSr:                     9.5067e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8113,11 +8114,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            77 
 SrCO3 added:             7.7000e+00 
-Log Sigma pi:           -9.2472e+00 
-XAragonite:              1.3298e-03 
-XStrontianite:           9.9867e-01 
-XCa:                     5.3916e-02 
-XSr:                     9.4608e-01 
+Log Sigma pi:           -9.2485e+00 
+XAragonite:              1.2575e-03 
+XStrontianite:           9.9874e-01 
+XCa:                     4.8731e-02 
+XSr:                     9.5127e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8126,11 +8127,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            78 
 SrCO3 added:             7.8000e+00 
-Log Sigma pi:           -9.2475e+00 
-XAragonite:              1.3131e-03 
-XStrontianite:           9.9869e-01 
-XCa:                     5.3274e-02 
-XSr:                     9.4673e-01 
+Log Sigma pi:           -9.2488e+00 
+XAragonite:              1.2418e-03 
+XStrontianite:           9.9876e-01 
+XCa:                     4.8147e-02 
+XSr:                     9.5185e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8139,11 +8140,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            79 
 SrCO3 added:             7.9000e+00 
-Log Sigma pi:           -9.2478e+00 
-XAragonite:              1.2969e-03 
-XStrontianite:           9.9870e-01 
-XCa:                     5.2647e-02 
-XSr:                     9.4735e-01 
+Log Sigma pi:           -9.2490e+00 
+XAragonite:              1.2264e-03 
+XStrontianite:           9.9877e-01 
+XCa:                     4.7577e-02 
+XSr:                     9.5242e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8152,11 +8153,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            80 
 SrCO3 added:                      8 
-Log Sigma pi:           -9.2481e+00 
-XAragonite:              1.2811e-03 
-XStrontianite:           9.9872e-01 
-XCa:                     5.2035e-02 
-XSr:                     9.4797e-01 
+Log Sigma pi:           -9.2493e+00 
+XAragonite:              1.2114e-03 
+XStrontianite:           9.9879e-01 
+XCa:                     4.7021e-02 
+XSr:                     9.5298e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8165,11 +8166,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            81 
 SrCO3 added:             8.1000e+00 
-Log Sigma pi:           -9.2484e+00 
-XAragonite:              1.2657e-03 
-XStrontianite:           9.9873e-01 
-XCa:                     5.1436e-02 
-XSr:                     9.4856e-01 
+Log Sigma pi:           -9.2496e+00 
+XAragonite:              1.1968e-03 
+XStrontianite:           9.9880e-01 
+XCa:                     4.6477e-02 
+XSr:                     9.5352e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8178,11 +8179,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            82 
 SrCO3 added:             8.2000e+00 
-Log Sigma pi:           -9.2486e+00 
-XAragonite:              1.2506e-03 
-XStrontianite:           9.9875e-01 
-XCa:                     5.0852e-02 
-XSr:                     9.4915e-01 
+Log Sigma pi:           -9.2498e+00 
+XAragonite:              1.1826e-03 
+XStrontianite:           9.9882e-01 
+XCa:                     4.5946e-02 
+XSr:                     9.5405e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8191,11 +8192,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            83 
 SrCO3 added:             8.3000e+00 
-Log Sigma pi:           -9.2489e+00 
-XAragonite:              1.2359e-03 
-XStrontianite:           9.9876e-01 
-XCa:                     5.0280e-02 
-XSr:                     9.4972e-01 
+Log Sigma pi:           -9.2501e+00 
+XAragonite:              1.1686e-03 
+XStrontianite:           9.9883e-01 
+XCa:                     4.5427e-02 
+XSr:                     9.5457e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8204,11 +8205,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            84 
 SrCO3 added:             8.4000e+00 
-Log Sigma pi:           -9.2491e+00 
-XAragonite:              1.2215e-03 
-XStrontianite:           9.9878e-01 
-XCa:                     4.9721e-02 
-XSr:                     9.5028e-01 
+Log Sigma pi:           -9.2503e+00 
+XAragonite:              1.1550e-03 
+XStrontianite:           9.9884e-01 
+XCa:                     4.4919e-02 
+XSr:                     9.5508e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8217,11 +8218,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            85 
 SrCO3 added:             8.5000e+00 
-Log Sigma pi:           -9.2494e+00 
-XAragonite:              1.2075e-03 
-XStrontianite:           9.9879e-01 
-XCa:                     4.9175e-02 
-XSr:                     9.5083e-01 
+Log Sigma pi:           -9.2505e+00 
+XAragonite:              1.1418e-03 
+XStrontianite:           9.9886e-01 
+XCa:                     4.4423e-02 
+XSr:                     9.5558e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8230,11 +8231,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            86 
 SrCO3 added:             8.6000e+00 
-Log Sigma pi:           -9.2496e+00 
-XAragonite:              1.1938e-03 
-XStrontianite:           9.9881e-01 
-XCa:                     4.8640e-02 
-XSr:                     9.5136e-01 
+Log Sigma pi:           -9.2508e+00 
+XAragonite:              1.1288e-03 
+XStrontianite:           9.9887e-01 
+XCa:                     4.3937e-02 
+XSr:                     9.5606e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8243,11 +8244,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            87 
 SrCO3 added:             8.7000e+00 
-Log Sigma pi:           -9.2499e+00 
-XAragonite:              1.1804e-03 
-XStrontianite:           9.9882e-01 
-XCa:                     4.8117e-02 
-XSr:                     9.5188e-01 
+Log Sigma pi:           -9.2510e+00 
+XAragonite:              1.1161e-03 
+XStrontianite:           9.9888e-01 
+XCa:                     4.3462e-02 
+XSr:                     9.5654e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8256,11 +8257,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            88 
 SrCO3 added:             8.8000e+00 
-Log Sigma pi:           -9.2501e+00 
-XAragonite:              1.1673e-03 
-XStrontianite:           9.9883e-01 
-XCa:                     4.7605e-02 
-XSr:                     9.5239e-01 
+Log Sigma pi:           -9.2512e+00 
+XAragonite:              1.1037e-03 
+XStrontianite:           9.9890e-01 
+XCa:                     4.2997e-02 
+XSr:                     9.5700e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8269,11 +8270,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            89 
 SrCO3 added:             8.9000e+00 
-Log Sigma pi:           -9.2503e+00 
-XAragonite:              1.1544e-03 
-XStrontianite:           9.9885e-01 
-XCa:                     4.7104e-02 
-XSr:                     9.5290e-01 
+Log Sigma pi:           -9.2514e+00 
+XAragonite:              1.0915e-03 
+XStrontianite:           9.9891e-01 
+XCa:                     4.2542e-02 
+XSr:                     9.5746e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8282,11 +8283,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            90 
 SrCO3 added:                      9 
-Log Sigma pi:           -9.2505e+00 
-XAragonite:              1.1419e-03 
-XStrontianite:           9.9886e-01 
-XCa:                     4.6613e-02 
-XSr:                     9.5339e-01 
+Log Sigma pi:           -9.2516e+00 
+XAragonite:              1.0796e-03 
+XStrontianite:           9.9892e-01 
+XCa:                     4.2097e-02 
+XSr:                     9.5790e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8295,11 +8296,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            91 
 SrCO3 added:             9.1000e+00 
-Log Sigma pi:           -9.2507e+00 
-XAragonite:              1.1296e-03 
-XStrontianite:           9.9887e-01 
-XCa:                     4.6132e-02 
-XSr:                     9.5387e-01 
+Log Sigma pi:           -9.2518e+00 
+XAragonite:              1.0680e-03 
+XStrontianite:           9.9893e-01 
+XCa:                     4.1661e-02 
+XSr:                     9.5834e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8308,11 +8309,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            92 
 SrCO3 added:             9.2000e+00 
-Log Sigma pi:           -9.2510e+00 
-XAragonite:              1.1176e-03 
-XStrontianite:           9.9888e-01 
-XCa:                     4.5662e-02 
-XSr:                     9.5434e-01 
+Log Sigma pi:           -9.2520e+00 
+XAragonite:              1.0566e-03 
+XStrontianite:           9.9894e-01 
+XCa:                     4.1234e-02 
+XSr:                     9.5877e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8321,11 +8322,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            93 
 SrCO3 added:             9.3000e+00 
-Log Sigma pi:           -9.2512e+00 
-XAragonite:              1.1058e-03 
-XStrontianite:           9.9889e-01 
-XCa:                     4.5200e-02 
-XSr:                     9.5480e-01 
+Log Sigma pi:           -9.2522e+00 
+XAragonite:              1.0455e-03 
+XStrontianite:           9.9895e-01 
+XCa:                     4.0815e-02 
+XSr:                     9.5919e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8334,11 +8335,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            94 
 SrCO3 added:             9.4000e+00 
-Log Sigma pi:           -9.2514e+00 
-XAragonite:              1.0943e-03 
-XStrontianite:           9.9891e-01 
-XCa:                     4.4748e-02 
-XSr:                     9.5525e-01 
+Log Sigma pi:           -9.2524e+00 
+XAragonite:              1.0346e-03 
+XStrontianite:           9.9897e-01 
+XCa:                     4.0405e-02 
+XSr:                     9.5960e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8347,11 +8348,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            95 
 SrCO3 added:             9.5000e+00 
-Log Sigma pi:           -9.2516e+00 
-XAragonite:              1.0830e-03 
-XStrontianite:           9.9892e-01 
-XCa:                     4.4305e-02 
-XSr:                     9.5569e-01 
+Log Sigma pi:           -9.2526e+00 
+XAragonite:              1.0239e-03 
+XStrontianite:           9.9898e-01 
+XCa:                     4.0003e-02 
+XSr:                     9.6000e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8360,11 +8361,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            96 
 SrCO3 added:             9.6000e+00 
-Log Sigma pi:           -9.2518e+00 
-XAragonite:              1.0720e-03 
-XStrontianite:           9.9893e-01 
-XCa:                     4.3871e-02 
-XSr:                     9.5613e-01 
+Log Sigma pi:           -9.2528e+00 
+XAragonite:              1.0135e-03 
+XStrontianite:           9.9899e-01 
+XCa:                     3.9609e-02 
+XSr:                     9.6039e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8373,11 +8374,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            97 
 SrCO3 added:             9.7000e+00 
-Log Sigma pi:           -9.2519e+00 
-XAragonite:              1.0612e-03 
-XStrontianite:           9.9894e-01 
-XCa:                     4.3445e-02 
-XSr:                     9.5656e-01 
+Log Sigma pi:           -9.2530e+00 
+XAragonite:              1.0032e-03 
+XStrontianite:           9.9900e-01 
+XCa:                     3.9222e-02 
+XSr:                     9.6078e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8386,11 +8387,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            98 
 SrCO3 added:             9.8000e+00 
-Log Sigma pi:           -9.2521e+00 
-XAragonite:              1.0506e-03 
-XStrontianite:           9.9895e-01 
-XCa:                     4.3027e-02 
-XSr:                     9.5697e-01 
+Log Sigma pi:           -9.2531e+00 
+XAragonite:              9.9320e-04 
+XStrontianite:           9.9901e-01 
+XCa:                     3.8843e-02 
+XSr:                     9.6116e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8399,11 +8400,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:            99 
 SrCO3 added:             9.9000e+00 
-Log Sigma pi:           -9.2523e+00 
-XAragonite:              1.0402e-03 
-XStrontianite:           9.9896e-01 
-XCa:                     4.2617e-02 
-XSr:                     9.5738e-01 
+Log Sigma pi:           -9.2533e+00 
+XAragonite:              9.8336e-04 
+XStrontianite:           9.9902e-01 
+XCa:                     3.8472e-02 
+XSr:                     9.6153e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
@@ -8412,11 +8413,11 @@ Misc 2:                  8.5786e-01
 Simulation number:                6 
 Reaction step number:           100 
 SrCO3 added:                     10 
-Log Sigma pi:           -9.2525e+00 
-XAragonite:              1.0300e-03 
-XStrontianite:           9.9897e-01 
-XCa:                     4.2215e-02 
-XSr:                     9.5778e-01 
+Log Sigma pi:           -9.2535e+00 
+XAragonite:              9.7371e-04 
+XStrontianite:           9.9903e-01 
+XCa:                     3.8107e-02 
+XSr:                     9.6189e-01 
 Misc 1:                  4.8032e-03 
 Misc 2:                  8.5786e-01 
 
diff --git a/phreeqc3-examples/ex10.sel b/phreeqc3-examples/ex10.sel
index 4d715b9c..447aec12 100644
--- a/phreeqc3-examples/ex10.sel
+++ b/phreeqc3-examples/ex10.sel
@@ -1,621 +1,621 @@
     reaction	  lg_SigmaPi	      X_Arag	    X_Stront	     X_Ca_aq	     X_Sr_aq	   mol_Misc1	   mol_Misc2	    mol_Arag	  mol_Stront	
-  1.0000e-05	 -8.3356e+00	  9.9996e-01	  4.2174e-05	  9.9905e-01	  9.5081e-04	  1.0000e-10	  1.0000e-10	  6.5452e-06	  2.7605e-10	
-  2.0000e-05	 -8.3352e+00	  9.9992e-01	  8.4457e-05	  9.9810e-01	  1.9009e-03	  1.0000e-10	  1.0000e-10	  1.3088e-05	  1.1055e-09	
-  3.0000e-05	 -8.3348e+00	  9.9987e-01	  1.2685e-04	  9.9715e-01	  2.8504e-03	  1.0000e-10	  1.0000e-10	  1.9629e-05	  2.4903e-09	
-  4.0000e-05	 -8.3345e+00	  9.9983e-01	  1.6936e-04	  9.9620e-01	  3.7992e-03	  1.0000e-10	  1.0000e-10	  2.6168e-05	  4.4324e-09	
-  5.0000e-05	 -8.3341e+00	  9.9979e-01	  2.1197e-04	  9.9525e-01	  4.7473e-03	  1.0000e-10	  1.0000e-10	  3.2705e-05	  6.9339e-09	
-  6.0000e-05	 -8.3337e+00	  9.9975e-01	  2.5470e-04	  9.9431e-01	  5.6947e-03	  1.0000e-10	  1.0000e-10	  3.9239e-05	  9.9967e-09	
-  7.0000e-05	 -8.3333e+00	  9.9970e-01	  2.9754e-04	  9.9336e-01	  6.6414e-03	  1.0000e-10	  1.0000e-10	  4.5772e-05	  1.3623e-08	
-  8.0000e-05	 -8.3329e+00	  9.9966e-01	  3.4049e-04	  9.9241e-01	  7.5875e-03	  1.0000e-10	  1.0000e-10	  5.2302e-05	  1.7814e-08	
-  9.0000e-05	 -8.3325e+00	  9.9962e-01	  3.8355e-04	  9.9147e-01	  8.5329e-03	  1.0000e-10	  1.0000e-10	  5.8831e-05	  2.2573e-08	
-  1.0000e-04	 -8.3321e+00	  9.9957e-01	  4.2673e-04	  9.9052e-01	  9.4776e-03	  1.0000e-10	  1.0000e-10	  6.5357e-05	  2.7902e-08	
-  1.1000e-04	 -8.3317e+00	  9.9953e-01	  4.7002e-04	  9.8958e-01	  1.0422e-02	  1.0000e-10	  1.0000e-10	  7.1881e-05	  3.3801e-08	
-  1.2000e-04	 -8.3314e+00	  9.9949e-01	  5.1343e-04	  9.8864e-01	  1.1365e-02	  1.0000e-10	  1.0000e-10	  7.8402e-05	  4.0275e-08	
-  1.3000e-04	 -8.3310e+00	  9.9944e-01	  5.5695e-04	  9.8769e-01	  1.2308e-02	  1.0000e-10	  1.0000e-10	  8.4922e-05	  4.7324e-08	
-  1.4000e-04	 -8.3306e+00	  9.9940e-01	  6.0059e-04	  9.8675e-01	  1.3250e-02	  1.0000e-10	  1.0000e-10	  9.1440e-05	  5.4951e-08	
-  1.5000e-04	 -8.3302e+00	  9.9936e-01	  6.4434e-04	  9.8581e-01	  1.4191e-02	  1.0000e-10	  1.0000e-10	  9.7955e-05	  6.3157e-08	
-  1.6000e-04	 -8.3298e+00	  9.9931e-01	  6.8821e-04	  9.8487e-01	  1.5132e-02	  1.0000e-10	  1.0000e-10	  1.0447e-04	  7.1946e-08	
-  1.7000e-04	 -8.3294e+00	  9.9927e-01	  7.3220e-04	  9.8393e-01	  1.6072e-02	  1.0000e-10	  1.0000e-10	  1.1098e-04	  8.1319e-08	
-  1.8000e-04	 -8.3290e+00	  9.9922e-01	  7.7630e-04	  9.8299e-01	  1.7011e-02	  1.0000e-10	  1.0000e-10	  1.1749e-04	  9.1278e-08	
-  1.9000e-04	 -8.3286e+00	  9.9918e-01	  8.2052e-04	  9.8205e-01	  1.7950e-02	  1.0000e-10	  1.0000e-10	  1.2400e-04	  1.0183e-07	
-  2.0000e-04	 -8.3283e+00	  9.9914e-01	  8.6487e-04	  9.8111e-01	  1.8887e-02	  1.0000e-10	  1.0000e-10	  1.3050e-04	  1.1296e-07	
-  2.1000e-04	 -8.3279e+00	  9.9909e-01	  9.0932e-04	  9.8018e-01	  1.9825e-02	  1.0000e-10	  1.0000e-10	  1.3700e-04	  1.2469e-07	
-  2.2000e-04	 -8.3275e+00	  9.9905e-01	  9.5390e-04	  9.7924e-01	  2.0761e-02	  1.0000e-10	  1.0000e-10	  1.4350e-04	  1.3702e-07	
-  2.3000e-04	 -8.3271e+00	  9.9900e-01	  9.9860e-04	  9.7830e-01	  2.1697e-02	  1.0000e-10	  1.0000e-10	  1.5000e-04	  1.4994e-07	
-  2.4000e-04	 -8.3267e+00	  9.9896e-01	  1.0434e-03	  9.7737e-01	  2.2633e-02	  1.0000e-10	  1.0000e-10	  1.5650e-04	  1.6346e-07	
-  2.5000e-04	 -8.3263e+00	  9.9891e-01	  1.0884e-03	  9.7643e-01	  2.3567e-02	  1.0000e-10	  1.0000e-10	  1.6299e-04	  1.7759e-07	
-  2.6000e-04	 -8.3259e+00	  9.9887e-01	  1.1334e-03	  9.7550e-01	  2.4501e-02	  1.0000e-10	  1.0000e-10	  1.6948e-04	  1.9232e-07	
-  2.7000e-04	 -8.3255e+00	  9.9882e-01	  1.1786e-03	  9.7457e-01	  2.5434e-02	  1.0000e-10	  1.0000e-10	  1.7597e-04	  2.0765e-07	
-  2.8000e-04	 -8.3252e+00	  9.9878e-01	  1.2239e-03	  9.7363e-01	  2.6367e-02	  1.0000e-10	  1.0000e-10	  1.8246e-04	  2.2359e-07	
-  2.9000e-04	 -8.3248e+00	  9.9873e-01	  1.2693e-03	  9.7270e-01	  2.7299e-02	  1.0000e-10	  1.0000e-10	  1.8895e-04	  2.4014e-07	
-  3.0000e-04	 -8.3244e+00	  9.9869e-01	  1.3149e-03	  9.7177e-01	  2.8230e-02	  1.0000e-10	  1.0000e-10	  1.9543e-04	  2.5731e-07	
-  3.1000e-04	 -8.3240e+00	  9.9864e-01	  1.3606e-03	  9.7084e-01	  2.9160e-02	  1.0000e-10	  1.0000e-10	  2.0191e-04	  2.7509e-07	
-  3.2000e-04	 -8.3236e+00	  9.9859e-01	  1.4064e-03	  9.6991e-01	  3.0090e-02	  1.0000e-10	  1.0000e-10	  2.0839e-04	  2.9349e-07	
-  3.3000e-04	 -8.3232e+00	  9.9855e-01	  1.4523e-03	  9.6898e-01	  3.1019e-02	  1.0000e-10	  1.0000e-10	  2.1487e-04	  3.1251e-07	
-  3.4000e-04	 -8.3228e+00	  9.9850e-01	  1.4984e-03	  9.6805e-01	  3.1948e-02	  1.0000e-10	  1.0000e-10	  2.2134e-04	  3.3215e-07	
-  3.5000e-04	 -8.3224e+00	  9.9846e-01	  1.5445e-03	  9.6712e-01	  3.2876e-02	  1.0000e-10	  1.0000e-10	  2.2782e-04	  3.5242e-07	
-  3.6000e-04	 -8.3220e+00	  9.9841e-01	  1.5909e-03	  9.6620e-01	  3.3803e-02	  1.0000e-10	  1.0000e-10	  2.3429e-04	  3.7331e-07	
-  3.7000e-04	 -8.3217e+00	  9.9836e-01	  1.6373e-03	  9.6527e-01	  3.4729e-02	  1.0000e-10	  1.0000e-10	  2.4075e-04	  3.9483e-07	
-  3.8000e-04	 -8.3213e+00	  9.9832e-01	  1.6839e-03	  9.6435e-01	  3.5655e-02	  1.0000e-10	  1.0000e-10	  2.4722e-04	  4.1699e-07	
-  3.9000e-04	 -8.3209e+00	  9.9827e-01	  1.7305e-03	  9.6342e-01	  3.6580e-02	  1.0000e-10	  1.0000e-10	  2.5368e-04	  4.3977e-07	
-  4.0000e-04	 -8.3205e+00	  9.9822e-01	  1.7774e-03	  9.6250e-01	  3.7504e-02	  1.0000e-10	  1.0000e-10	  2.6015e-04	  4.6320e-07	
-  4.1000e-04	 -8.3201e+00	  9.9818e-01	  1.8243e-03	  9.6157e-01	  3.8428e-02	  1.0000e-10	  1.0000e-10	  2.6661e-04	  4.8726e-07	
-  4.2000e-04	 -8.3197e+00	  9.9813e-01	  1.8714e-03	  9.6065e-01	  3.9351e-02	  1.0000e-10	  1.0000e-10	  2.7306e-04	  5.1197e-07	
-  4.3000e-04	 -8.3193e+00	  9.9808e-01	  1.9186e-03	  9.5973e-01	  4.0274e-02	  1.0000e-10	  1.0000e-10	  2.7952e-04	  5.3732e-07	
-  4.4000e-04	 -8.3189e+00	  9.9803e-01	  1.9660e-03	  9.5880e-01	  4.1195e-02	  1.0000e-10	  1.0000e-10	  2.8597e-04	  5.6332e-07	
-  4.5000e-04	 -8.3185e+00	  9.9799e-01	  2.0134e-03	  9.5788e-01	  4.2117e-02	  1.0000e-10	  1.0000e-10	  2.9242e-04	  5.8997e-07	
-  4.6000e-04	 -8.3182e+00	  9.9794e-01	  2.0611e-03	  9.5696e-01	  4.3037e-02	  1.0000e-10	  1.0000e-10	  2.9887e-04	  6.1726e-07	
-  4.7000e-04	 -8.3178e+00	  9.9789e-01	  2.1088e-03	  9.5604e-01	  4.3957e-02	  1.0000e-10	  1.0000e-10	  3.0532e-04	  6.4522e-07	
-  4.8000e-04	 -8.3174e+00	  9.9784e-01	  2.1567e-03	  9.5512e-01	  4.4876e-02	  1.0000e-10	  1.0000e-10	  3.1176e-04	  6.7383e-07	
-  4.9000e-04	 -8.3170e+00	  9.9780e-01	  2.2047e-03	  9.5421e-01	  4.5794e-02	  1.0000e-10	  1.0000e-10	  3.1821e-04	  7.0310e-07	
-  5.0000e-04	 -8.3166e+00	  9.9775e-01	  2.2528e-03	  9.5329e-01	  4.6712e-02	  1.0000e-10	  1.0000e-10	  3.2465e-04	  7.3303e-07	
-  5.1000e-04	 -8.3162e+00	  9.9770e-01	  2.3011e-03	  9.5237e-01	  4.7629e-02	  1.0000e-10	  1.0000e-10	  3.3108e-04	  7.6362e-07	
-  5.2000e-04	 -8.3158e+00	  9.9765e-01	  2.3496e-03	  9.5146e-01	  4.8545e-02	  1.0000e-10	  1.0000e-10	  3.3752e-04	  7.9489e-07	
-  5.3000e-04	 -8.3154e+00	  9.9760e-01	  2.3981e-03	  9.5054e-01	  4.9461e-02	  1.0000e-10	  1.0000e-10	  3.4395e-04	  8.2682e-07	
-  5.4000e-04	 -8.3150e+00	  9.9755e-01	  2.4468e-03	  9.4962e-01	  5.0376e-02	  1.0000e-10	  1.0000e-10	  3.5038e-04	  8.5943e-07	
-  5.5000e-04	 -8.3146e+00	  9.9750e-01	  2.4956e-03	  9.4871e-01	  5.1290e-02	  1.0000e-10	  1.0000e-10	  3.5681e-04	  8.9271e-07	
-  5.6000e-04	 -8.3143e+00	  9.9746e-01	  2.5446e-03	  9.4780e-01	  5.2204e-02	  1.0000e-10	  1.0000e-10	  3.6324e-04	  9.2667e-07	
-  5.7000e-04	 -8.3139e+00	  9.9741e-01	  2.5937e-03	  9.4688e-01	  5.3117e-02	  1.0000e-10	  1.0000e-10	  3.6967e-04	  9.6131e-07	
-  5.8000e-04	 -8.3135e+00	  9.9736e-01	  2.6430e-03	  9.4597e-01	  5.4029e-02	  1.0000e-10	  1.0000e-10	  3.7609e-04	  9.9663e-07	
-  5.9000e-04	 -8.3131e+00	  9.9731e-01	  2.6924e-03	  9.4506e-01	  5.4940e-02	  1.0000e-10	  1.0000e-10	  3.8251e-04	  1.0326e-06	
-  6.0000e-04	 -8.3127e+00	  9.9726e-01	  2.7419e-03	  9.4415e-01	  5.5851e-02	  1.0000e-10	  1.0000e-10	  3.8893e-04	  1.0693e-06	
-  6.1000e-04	 -8.3123e+00	  9.9721e-01	  2.7916e-03	  9.4324e-01	  5.6762e-02	  1.0000e-10	  1.0000e-10	  3.9534e-04	  1.1067e-06	
-  6.2000e-04	 -8.3119e+00	  9.9716e-01	  2.8414e-03	  9.4233e-01	  5.7671e-02	  1.0000e-10	  1.0000e-10	  4.0176e-04	  1.1448e-06	
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+  4.8000e+00	 -9.2358e+00	  1.9887e-03	  9.9801e-01	  7.5164e-02	  9.2484e-01	  1.0000e-10	  1.0000e-10	  9.5557e-03	  4.7954e+00	
+  4.9000e+00	 -9.2365e+00	  1.9496e-03	  9.9805e-01	  7.3784e-02	  9.2622e-01	  1.0000e-10	  1.0000e-10	  9.5628e-03	  4.8954e+00	
+  5.0000e+00	 -9.2371e+00	  1.9120e-03	  9.9809e-01	  7.2453e-02	  9.2755e-01	  1.0000e-10	  1.0000e-10	  9.5695e-03	  4.9954e+00	
+  5.1000e+00	 -9.2378e+00	  1.8758e-03	  9.9812e-01	  7.1169e-02	  9.2883e-01	  1.0000e-10	  1.0000e-10	  9.5761e-03	  5.0954e+00	
+  5.2000e+00	 -9.2384e+00	  1.8410e-03	  9.9816e-01	  6.9930e-02	  9.3007e-01	  1.0000e-10	  1.0000e-10	  9.5823e-03	  5.1954e+00	
+  5.3000e+00	 -9.2389e+00	  1.8074e-03	  9.9819e-01	  6.8733e-02	  9.3127e-01	  1.0000e-10	  1.0000e-10	  9.5884e-03	  5.2954e+00	
+  5.4000e+00	 -9.2395e+00	  1.7751e-03	  9.9822e-01	  6.7577e-02	  9.3242e-01	  1.0000e-10	  1.0000e-10	  9.5943e-03	  5.3954e+00	
+  5.5000e+00	 -9.2400e+00	  1.7439e-03	  9.9826e-01	  6.6459e-02	  9.3354e-01	  1.0000e-10	  1.0000e-10	  9.5999e-03	  5.4954e+00	
+  5.6000e+00	 -9.2406e+00	  1.7137e-03	  9.9829e-01	  6.5378e-02	  9.3462e-01	  1.0000e-10	  1.0000e-10	  9.6054e-03	  5.5954e+00	
+  5.7000e+00	 -9.2411e+00	  1.6846e-03	  9.9832e-01	  6.4331e-02	  9.3567e-01	  1.0000e-10	  1.0000e-10	  9.6107e-03	  5.6954e+00	
+  5.8000e+00	 -9.2415e+00	  1.6565e-03	  9.9834e-01	  6.3317e-02	  9.3668e-01	  1.0000e-10	  1.0000e-10	  9.6158e-03	  5.7954e+00	
+  5.9000e+00	 -9.2420e+00	  1.6293e-03	  9.9837e-01	  6.2335e-02	  9.3766e-01	  1.0000e-10	  1.0000e-10	  9.6208e-03	  5.8954e+00	
+  6.0000e+00	 -9.2425e+00	  1.6029e-03	  9.9840e-01	  6.1383e-02	  9.3862e-01	  1.0000e-10	  1.0000e-10	  9.6256e-03	  5.9954e+00	
+  6.1000e+00	 -9.2429e+00	  1.5774e-03	  9.9842e-01	  6.0459e-02	  9.3954e-01	  1.0000e-10	  1.0000e-10	  9.6303e-03	  6.0954e+00	
+  6.2000e+00	 -9.2433e+00	  1.5527e-03	  9.9845e-01	  5.9563e-02	  9.4044e-01	  1.0000e-10	  1.0000e-10	  9.6348e-03	  6.1954e+00	
+  6.3000e+00	 -9.2438e+00	  1.5288e-03	  9.9847e-01	  5.8693e-02	  9.4131e-01	  1.0000e-10	  1.0000e-10	  9.6392e-03	  6.2954e+00	
+  6.4000e+00	 -9.2442e+00	  1.5056e-03	  9.9849e-01	  5.7848e-02	  9.4215e-01	  1.0000e-10	  1.0000e-10	  9.6434e-03	  6.3954e+00	
+  6.5000e+00	 -9.2446e+00	  1.4831e-03	  9.9852e-01	  5.7027e-02	  9.4297e-01	  1.0000e-10	  1.0000e-10	  9.6475e-03	  6.4954e+00	
+  6.6000e+00	 -9.2449e+00	  1.4612e-03	  9.9854e-01	  5.6230e-02	  9.4377e-01	  1.0000e-10	  1.0000e-10	  9.6515e-03	  6.5954e+00	
+  6.7000e+00	 -9.2453e+00	  1.4400e-03	  9.9856e-01	  5.5454e-02	  9.4455e-01	  1.0000e-10	  1.0000e-10	  9.6554e-03	  6.6953e+00	
+  6.8000e+00	 -9.2457e+00	  1.4194e-03	  9.9858e-01	  5.4699e-02	  9.4530e-01	  1.0000e-10	  1.0000e-10	  9.6592e-03	  6.7953e+00	
+  6.9000e+00	 -9.2460e+00	  1.3994e-03	  9.9860e-01	  5.3965e-02	  9.4604e-01	  1.0000e-10	  1.0000e-10	  9.6629e-03	  6.8953e+00	
+  7.0000e+00	 -9.2464e+00	  1.3799e-03	  9.9862e-01	  5.3250e-02	  9.4675e-01	  1.0000e-10	  1.0000e-10	  9.6665e-03	  6.9953e+00	
+  7.1000e+00	 -9.2467e+00	  1.3610e-03	  9.9864e-01	  5.2553e-02	  9.4745e-01	  1.0000e-10	  1.0000e-10	  9.6700e-03	  7.0953e+00	
+  7.2000e+00	 -9.2470e+00	  1.3426e-03	  9.9866e-01	  5.1875e-02	  9.4812e-01	  1.0000e-10	  1.0000e-10	  9.6734e-03	  7.1953e+00	
+  7.3000e+00	 -9.2473e+00	  1.3247e-03	  9.9868e-01	  5.1214e-02	  9.4879e-01	  1.0000e-10	  1.0000e-10	  9.6767e-03	  7.2953e+00	
+  7.4000e+00	 -9.2476e+00	  1.3072e-03	  9.9869e-01	  5.0570e-02	  9.4943e-01	  1.0000e-10	  1.0000e-10	  9.6799e-03	  7.3953e+00	
+  7.5000e+00	 -9.2479e+00	  1.2902e-03	  9.9871e-01	  4.9942e-02	  9.5006e-01	  1.0000e-10	  1.0000e-10	  9.6831e-03	  7.4953e+00	
+  7.6000e+00	 -9.2482e+00	  1.2737e-03	  9.9873e-01	  4.9329e-02	  9.5067e-01	  1.0000e-10	  1.0000e-10	  9.6861e-03	  7.5953e+00	
+  7.7000e+00	 -9.2485e+00	  1.2575e-03	  9.9874e-01	  4.8731e-02	  9.5127e-01	  1.0000e-10	  1.0000e-10	  9.6891e-03	  7.6953e+00	
+  7.8000e+00	 -9.2488e+00	  1.2418e-03	  9.9876e-01	  4.8147e-02	  9.5185e-01	  1.0000e-10	  1.0000e-10	  9.6920e-03	  7.7953e+00	
+  7.9000e+00	 -9.2490e+00	  1.2264e-03	  9.9877e-01	  4.7577e-02	  9.5242e-01	  1.0000e-10	  1.0000e-10	  9.6949e-03	  7.8953e+00	
+  8.0000e+00	 -9.2493e+00	  1.2114e-03	  9.9879e-01	  4.7021e-02	  9.5298e-01	  1.0000e-10	  1.0000e-10	  9.6977e-03	  7.9953e+00	
+  8.1000e+00	 -9.2496e+00	  1.1968e-03	  9.9880e-01	  4.6477e-02	  9.5352e-01	  1.0000e-10	  1.0000e-10	  9.7004e-03	  8.0953e+00	
+  8.2000e+00	 -9.2498e+00	  1.1826e-03	  9.9882e-01	  4.5946e-02	  9.5405e-01	  1.0000e-10	  1.0000e-10	  9.7030e-03	  8.1953e+00	
+  8.3000e+00	 -9.2501e+00	  1.1686e-03	  9.9883e-01	  4.5427e-02	  9.5457e-01	  1.0000e-10	  1.0000e-10	  9.7056e-03	  8.2953e+00	
+  8.4000e+00	 -9.2503e+00	  1.1550e-03	  9.9884e-01	  4.4919e-02	  9.5508e-01	  1.0000e-10	  1.0000e-10	  9.7081e-03	  8.3953e+00	
+  8.5000e+00	 -9.2505e+00	  1.1418e-03	  9.9886e-01	  4.4423e-02	  9.5558e-01	  1.0000e-10	  1.0000e-10	  9.7106e-03	  8.4953e+00	
+  8.6000e+00	 -9.2508e+00	  1.1288e-03	  9.9887e-01	  4.3937e-02	  9.5606e-01	  1.0000e-10	  1.0000e-10	  9.7130e-03	  8.5953e+00	
+  8.7000e+00	 -9.2510e+00	  1.1161e-03	  9.9888e-01	  4.3462e-02	  9.5654e-01	  1.0000e-10	  1.0000e-10	  9.7154e-03	  8.6953e+00	
+  8.8000e+00	 -9.2512e+00	  1.1037e-03	  9.9890e-01	  4.2997e-02	  9.5700e-01	  1.0000e-10	  1.0000e-10	  9.7177e-03	  8.7953e+00	
+  8.9000e+00	 -9.2514e+00	  1.0915e-03	  9.9891e-01	  4.2542e-02	  9.5746e-01	  1.0000e-10	  1.0000e-10	  9.7200e-03	  8.8953e+00	
+  9.0000e+00	 -9.2516e+00	  1.0796e-03	  9.9892e-01	  4.2097e-02	  9.5790e-01	  1.0000e-10	  1.0000e-10	  9.7222e-03	  8.9953e+00	
+  9.1000e+00	 -9.2518e+00	  1.0680e-03	  9.9893e-01	  4.1661e-02	  9.5834e-01	  1.0000e-10	  1.0000e-10	  9.7244e-03	  9.0953e+00	
+  9.2000e+00	 -9.2520e+00	  1.0566e-03	  9.9894e-01	  4.1234e-02	  9.5877e-01	  1.0000e-10	  1.0000e-10	  9.7265e-03	  9.1953e+00	
+  9.3000e+00	 -9.2522e+00	  1.0455e-03	  9.9895e-01	  4.0815e-02	  9.5919e-01	  1.0000e-10	  1.0000e-10	  9.7286e-03	  9.2953e+00	
+  9.4000e+00	 -9.2524e+00	  1.0346e-03	  9.9897e-01	  4.0405e-02	  9.5960e-01	  1.0000e-10	  1.0000e-10	  9.7306e-03	  9.3953e+00	
+  9.5000e+00	 -9.2526e+00	  1.0239e-03	  9.9898e-01	  4.0003e-02	  9.6000e-01	  1.0000e-10	  1.0000e-10	  9.7326e-03	  9.4953e+00	
+  9.6000e+00	 -9.2528e+00	  1.0135e-03	  9.9899e-01	  3.9609e-02	  9.6039e-01	  1.0000e-10	  1.0000e-10	  9.7346e-03	  9.5953e+00	
+  9.7000e+00	 -9.2530e+00	  1.0032e-03	  9.9900e-01	  3.9222e-02	  9.6078e-01	  1.0000e-10	  1.0000e-10	  9.7365e-03	  9.6953e+00	
+  9.8000e+00	 -9.2531e+00	  9.9320e-04	  9.9901e-01	  3.8843e-02	  9.6116e-01	  1.0000e-10	  1.0000e-10	  9.7384e-03	  9.7953e+00	
+  9.9000e+00	 -9.2533e+00	  9.8336e-04	  9.9902e-01	  3.8472e-02	  9.6153e-01	  1.0000e-10	  1.0000e-10	  9.7402e-03	  9.8953e+00	
+  1.0000e+01	 -9.2535e+00	  9.7371e-04	  9.9903e-01	  3.8107e-02	  9.6189e-01	  1.0000e-10	  1.0000e-10	  9.7420e-03	  9.9953e+00	
diff --git a/phreeqc3-examples/ex11.out b/phreeqc3-examples/ex11.out
index b95f8075..c9b25c64 100644
--- a/phreeqc3-examples/ex11.out
+++ b/phreeqc3-examples/ex11.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -59,16 +60,16 @@ Initial solution 0.	CaCl2
 
                                        pH  =   6.995      Charge balance
                                        pe  =  13.632      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 152
+      Specific Conductance (µS/cm,  25°C)  = 155
                           Density (g/cm³)  =   0.99710
                                Volume (L)  =   1.00298
                         Viscosity (mPa s)  =   0.89067
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.800e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   2.687e-21
+                 Total alkalinity (eq/kg)  =  -1.854e-20
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   4.260e-18
+                  Electrical balance (eq)  =   2.979e-18
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   4
                                   Total H  = 1.110124e+02
@@ -125,9 +126,9 @@ Initial solution 1.	Initial solution for column
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.200e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =  -9.247e-19
+                 Total alkalinity (eq/kg)  =  -1.017e-18
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -9.243e-17
+                  Electrical balance (eq)  =  -9.088e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =   3 (7 overall)
                                   Total H  = 1.110124e+02
diff --git a/phreeqc3-examples/ex11trn.sel b/phreeqc3-examples/ex11trn.sel
index 3b0c3ea9..c1c2d809 100644
--- a/phreeqc3-examples/ex11trn.sel
+++ b/phreeqc3-examples/ex11trn.sel
@@ -7,96 +7,96 @@
                    5	  1.000000000001e-03	  0.000000000000e+00	  2.000000000001e-04	  0.000000000000e+00	  1.375000000000e-01	
                    6	  1.000000000001e-03	  0.000000000000e+00	  2.000000000001e-04	  0.000000000000e+00	  1.625000000000e-01	
                    7	  1.000000000001e-03	  0.000000000000e+00	  2.000000000001e-04	  0.000000000000e+00	  1.875000000000e-01	
-                   8	  1.000000000001e-03	  3.099695935215e-22	  2.000000000001e-04	  0.000000000000e+00	  2.125000000000e-01	
-                   9	  1.000000000001e-03	  1.500942119490e-17	  2.000000000001e-04	  0.000000000000e+00	  2.375000000000e-01	
-                  10	  1.000000000001e-03	  6.337830597343e-15	  2.000000000001e-04	  0.000000000000e+00	  2.625000000000e-01	
+                   8	  1.000000000001e-03	  3.099695935214e-22	  2.000000000001e-04	  0.000000000000e+00	  2.125000000000e-01	
+                   9	  1.000000000001e-03	  1.500942119489e-17	  2.000000000001e-04	  0.000000000000e+00	  2.375000000000e-01	
+                  10	  1.000000000001e-03	  6.337830597342e-15	  2.000000000001e-04	  0.000000000000e+00	  2.625000000000e-01	
                   11	  1.000000000001e-03	  4.494808745371e-13	  2.000000000001e-04	  0.000000000000e+00	  2.875000000000e-01	
-                  12	  1.000000000001e-03	  1.148716249619e-11	  2.000000000001e-04	  0.000000000000e+00	  3.125000000000e-01	
-                  13	  1.000000000001e-03	  1.502206823479e-10	  2.000000000001e-04	  0.000000000000e+00	  3.375000000000e-01	
+                  12	  1.000000000001e-03	  1.148716249618e-11	  2.000000000001e-04	  0.000000000000e+00	  3.125000000000e-01	
+                  13	  1.000000000001e-03	  1.502206823478e-10	  2.000000000001e-04	  0.000000000000e+00	  3.375000000000e-01	
                   14	  1.000000000001e-03	  1.222542814082e-09	  2.000000000001e-04	  0.000000000000e+00	  3.625000000000e-01	
-                  15	  1.000000000001e-03	  6.992469594649e-09	  2.000000000001e-04	  0.000000000000e+00	  3.875000000000e-01	
-                  16	  1.000000000001e-03	  3.048043444698e-08	  2.000000000001e-04	  0.000000000000e+00	  4.125000000000e-01	
-                  17	  1.000000000001e-03	  1.071736887963e-07	  2.000000000002e-04	  0.000000000000e+00	  4.375000000000e-01	
+                  15	  1.000000000001e-03	  6.992469594648e-09	  2.000000000001e-04	  0.000000000000e+00	  3.875000000000e-01	
+                  16	  1.000000000001e-03	  3.048043444697e-08	  2.000000000001e-04	  0.000000000000e+00	  4.125000000000e-01	
+                  17	  1.000000000000e-03	  1.071736887963e-07	  2.000000000002e-04	  0.000000000000e+00	  4.375000000000e-01	
                   18	  1.000000000000e-03	  3.167880513057e-07	  2.000000000004e-04	  0.000000000000e+00	  4.625000000000e-01	
-                  19	  9.999999999996e-04	  8.119152414854e-07	  2.000000000010e-04	  0.000000000000e+00	  4.875000000000e-01	
+                  19	  9.999999999996e-04	  8.119152414853e-07	  2.000000000010e-04	  0.000000000000e+00	  4.875000000000e-01	
                   20	  9.999999999969e-04	  1.847753785443e-06	  2.000000000038e-04	  0.000000000000e+00	  5.125000000000e-01	
-                  21	  9.999999999827e-04	  3.804229077196e-06	  2.000000000179e-04	  0.000000000000e+00	  5.375000000000e-01	
-                  22	  9.999999999205e-04	  7.191769368189e-06	  2.000000000800e-04	  0.000000000000e+00	  5.625000000000e-01	
+                  21	  9.999999999827e-04	  3.804229077195e-06	  2.000000000179e-04	  0.000000000000e+00	  5.375000000000e-01	
+                  22	  9.999999999205e-04	  7.191769368188e-06	  2.000000000800e-04	  0.000000000000e+00	  5.625000000000e-01	
                   23	  9.999999996780e-04	  1.263506022590e-05	  2.000000003226e-04	  0.000000000000e+00	  5.875000000000e-01	
                   24	  9.999999988273e-04	  2.083413717341e-05	  2.000000011732e-04	  0.000000000000e+00	  6.125000000000e-01	
-                  25	  9.999999961127e-04	  3.250742767802e-05	  2.000000038882e-04	  0.000000000000e+00	  6.375000000000e-01	
-                  26	  9.999999881437e-04	  4.832522920787e-05	  2.000000118574e-04	  0.000000000000e+00	  6.625000000000e-01	
-                  27	  9.999999664327e-04	  6.884373212030e-05	  2.000000335677e-04	  0.000000000000e+00	  6.875000000000e-01	
-                  28	  9.999999111053e-04	  9.444901160400e-05	  2.000000888947e-04	  0.000000000000e+00	  7.125000000000e-01	
-                  29	  9.999997783000e-04	  1.253179893826e-04	  2.000002216984e-04	  0.000000000000e+00	  7.375000000000e-01	
+                  25	  9.999999961127e-04	  3.250742767801e-05	  2.000000038882e-04	  0.000000000000e+00	  6.375000000000e-01	
+                  26	  9.999999881436e-04	  4.832522920786e-05	  2.000000118574e-04	  0.000000000000e+00	  6.625000000000e-01	
+                  27	  9.999999664326e-04	  6.884373212029e-05	  2.000000335677e-04	  0.000000000000e+00	  6.875000000000e-01	
+                  28	  9.999999111053e-04	  9.444901160399e-05	  2.000000888947e-04	  0.000000000000e+00	  7.125000000000e-01	
+                  29	  9.999997782999e-04	  1.253179893826e-04	  2.000002216984e-04	  0.000000000000e+00	  7.375000000000e-01	
                   30	  9.999994762263e-04	  1.614000573149e-04	  2.000005237713e-04	  0.000000000000e+00	  7.625000000000e-01	
-                  31	  9.999988216502e-04	  2.024196971846e-04	  2.000011783465e-04	  0.000000000000e+00	  7.875000000000e-01	
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+                  92	  6.678659094764e-07	  1.199954896813e-03	  8.944331673377e-06	  5.951939012093e-04	  2.312500000000e+00	
+                  93	  5.288312745990e-07	  1.199963789378e-03	  7.153523668295e-06	  5.961588225292e-04	  2.337500000000e+00	
+                  94	  4.187957414427e-07	  1.199970948301e-03	  5.724978921457e-06	  5.969281126691e-04	  2.362500000000e+00	
+                  95	  3.316912256408e-07	  1.199976707113e-03	  4.584400974714e-06	  5.975419539002e-04	  2.387500000000e+00	
+                  96	  2.627259549757e-07	  1.199981336185e-03	  3.673012861562e-06	  5.980321305921e-04	  2.412500000000e+00	
+                  97	  2.081138874134e-07	  1.199985054462e-03	  2.944235324406e-06	  5.984238253944e-04	  2.437500000000e+00	
+                  98	  1.648621779965e-07	  1.199988039067e-03	  2.361099157053e-06	  5.987370193327e-04	  2.462500000000e+00	
+                  99	  1.306040218716e-07	  1.199990433149e-03	  1.894222604012e-06	  5.989875866872e-04	  2.487500000000e+00	
+                 100	  1.034670378746e-07	  1.199992352295e-03	  1.520225735974e-06	  5.991881536132e-04	  2.512500000000e+00	
diff --git a/phreeqc3-examples/ex12.out b/phreeqc3-examples/ex12.out
index b7047e21..3ce78bc9 100644
--- a/phreeqc3-examples/ex12.out
+++ b/phreeqc3-examples/ex12.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
diff --git a/phreeqc3-examples/ex12.sel b/phreeqc3-examples/ex12.sel
index 3aeab6d2..5bafa096 100644
--- a/phreeqc3-examples/ex12.sel
+++ b/phreeqc3-examples/ex12.sel
@@ -2,7 +2,7 @@
                  -99	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
                  -99	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
                  -99	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
-                   0	  2.400000000000e+01	  2.400000000001e+01	  0.000000000000e+00	  2.400000000001e+01	
+                   0	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
             0.166666	  0.000000000000e+00	  0.000000000000e+00	  2.400000000000e+01	  0.000000000000e+00	
             0.499999	  0.000000000000e+00	  0.000000000000e+00	  2.400000000000e+01	  0.000000000000e+00	
             0.833333	  0.000000000000e+00	  0.000000000000e+00	  2.400000000000e+01	  0.000000000000e+00	
@@ -63,64 +63,64 @@
              19.1666	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
                 19.5	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
              19.8333	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
-                   0	  2.400000000000e+01	  2.400000000001e+01	  0.000000000000e+00	  2.400000000001e+01	
-            0.166666	  2.173421535788e+01	  2.173403615953e+01	  2.265963837555e+00	  2.269804797033e+01	
-            0.499999	  1.732877881413e+01	  1.732819001088e+01	  6.671809981450e+00	  2.011807085413e+01	
-            0.833333	  1.328084086748e+01	  1.327978568454e+01	  1.072021430459e+01	  1.760856603205e+01	
-             1.16667	  9.764795286473e+00	  9.763307030588e+00	  1.423669295684e+01	  1.521227157407e+01	
-                 1.5	  6.876991640216e+00	  6.875215357914e+00	  1.712478462909e+01	  1.296595961052e+01	
-             1.83333	  4.633455928133e+00	  4.631602980060e+00	  1.936839700748e+01	  1.089879733963e+01	
-             2.16666	  2.983966658034e+00	  2.982242889576e+00	  2.101775709911e+01	  9.031344427785e+00	
-                 2.5	  1.835677067050e+00	  1.834226374349e+00	  2.216577361581e+01	  7.375229710913e+00	
-             2.83333	  1.078314727713e+00	  1.077198297073e+00	  2.292280169465e+01	  5.933476222847e+00	
-             3.16666	  6.047305557783e-01	  6.039382767912e-01	  2.339606171644e+01	  4.701379781822e+00	
-                 3.5	  3.237709470080e-01	  3.232490525631e-01	  2.367675094204e+01	  3.667800399955e+00	
-             3.83333	  1.655104664086e-01	  1.651896628001e-01	  2.383481033299e+01	  2.816701882845e+00	
-             4.16666	  8.080257204240e-02	  8.061777229747e-02	  2.391938222449e+01	  2.128773573946e+00	
-                 4.5	  3.768568646672e-02	  3.758557520673e-02	  2.396241442239e+01	  1.582986272154e+00	
-             4.83333	  1.679767756894e-02	  1.674652868457e-02	  2.398325346955e+01	  1.157966472263e+00	
-             5.16666	  7.158752063679e-03	  7.134045500772e-03	  2.399286595323e+01	  8.331126368302e-01	
-             5.49999	  2.918449214332e-03	  2.907143229950e-03	  2.399709285587e+01	  5.894176946330e-01	
-             5.83333	  1.138722696040e-03	  1.133812460283e-03	  2.399886618691e+01	  4.099979928623e-01	
-             6.16666	  4.254688736287e-04	  4.234417524586e-04	  2.399957655782e+01	  2.803568840130e-01	
-             6.49999	  1.523139982618e-04	  1.515173752174e-04	  2.399984848234e+01	  1.884293356575e-01	
-             6.83333	  5.227267557720e-05	  5.197429168621e-05	  2.399994802552e+01	  1.244625136586e-01	
-             7.16666	  1.720732480116e-05	  1.710067686707e-05	  2.399998289920e+01	  8.078763518550e-02	
-             7.49999	  5.436192373459e-06	  5.399780020750e-06	  2.399999460014e+01	  5.153271367857e-02	
-             7.83333	  1.649130959657e-06	  1.637243353855e-06	  2.399999836271e+01	  3.231654723820e-02	
-             8.16666	  4.806491381349e-07	  4.769347036536e-07	  2.399999952304e+01	  1.995365519989e-02	
-             8.49999	  1.346725366297e-07	  1.335606226395e-07	  2.399999986642e+01	  1.218958904341e-02	
-             8.83332	  3.634765898121e-08	  3.602792250425e-08	  2.399999996396e+01	  7.477287156792e-03	
-             9.16666	  9.688623034758e-09	  9.597781456181e-09	  2.399999999040e+01	  4.798487471579e-03	
-             9.49999	  3.521368975345e-09	  3.486221174492e-09	  2.399999999651e+01	  3.529761278079e-03	
-             9.83332	  5.266906600210e-09	  5.215747970469e-09	  2.399999999478e+01	  3.350250042338e-03	
-             10.1667	  1.826871464229e-08	  1.810246493771e-08	  2.399999998189e+01	  4.187235209478e-03	
-                10.5	  6.734356349056e-08	  6.676736728834e-08	  2.399999993323e+01	  6.195716015130e-03	
-             10.8333	  2.402639314420e-07	  2.383343475330e-07	  2.399999976165e+01	  9.768664014259e-03	
-             11.1667	  8.242843018529e-07	  8.180891310089e-07	  2.399999918189e+01	  1.557505013667e-02	
-                11.5	  2.716922549622e-06	  2.697877300180e-06	  2.399999730209e+01	  2.462264894765e-02	
-             11.8333	  8.598959192629e-06	  8.542946913497e-06	  2.399999145700e+01	  3.834165440595e-02	
-             12.1667	  2.611819663843e-05	  2.596074280449e-05	  2.399997403917e+01	  5.868305693760e-02	
-                12.5	  7.608967015818e-05	  7.566701745603e-05	  2.399992433285e+01	  8.822247450201e-02	
-             12.8333	  2.124941138159e-04	  2.114118449121e-04	  2.399978858796e+01	  1.302558794738e-01	
-             13.1667	  5.685367828663e-04	  5.658959587677e-04	  2.399943410375e+01	  1.888688939345e-01	
-                13.5	  1.456506511045e-03	  1.450373187820e-03	  2.399854962640e+01	  2.689568433456e-01	
-             13.8333	  3.570772369452e-03	  3.557230846963e-03	  2.399644276858e+01	  3.761696764504e-01	
-             14.1667	  8.372702446682e-03	  8.344318209107e-03	  2.399165568100e+01	  5.167554989993e-01	
-                14.5	  1.876668623423e-02	  1.871028306260e-02	  2.398128971588e+01	  6.972801618698e-01	
-             14.8333	  4.018855158439e-02	  4.008246069530e-02	  2.395991753791e+01	  9.242091443387e-01	
-             15.1667	  8.218587185627e-02	  8.199729506176e-02	  2.391800270314e+01	  1.203352315083e+00	
-                15.5	  1.604262488969e-01	  1.601100284715e-01	  2.383988996926e+01	  1.539191520809e+00	
-             15.8333	  2.987859018573e-01	  2.982865097096e-01	  2.370171348749e+01	  1.934133647612e+00	
-             16.1667	  5.307585250720e-01	  5.300169112942e-01	  2.346998308535e+01	  2.387754908519e+00	
-                16.5	  8.989956902916e-01	  8.979611508073e-01	  2.310203884528e+01	  2.896121734266e+00	
-             16.8333	  1.451582042996e+00	  1.450226361452e+00	  2.254977363414e+01	  3.451285434102e+00	
-             17.1666	  2.233972730862e+00	  2.232300602876e+00	  2.176769939234e+01	  4.041047732562e+00	
-                17.5	  3.276610346604e+00	  3.274658958333e+00	  2.072534103671e+01	  4.649079608378e+00	
-             17.8333	  4.580032365347e+00	  4.577856581120e+00	  1.942214341402e+01	  5.255445898757e+00	
-             18.1666	  6.101263069883e+00	  6.098911107801e+00	  1.790108888776e+01	  5.837544906627e+00	
-                18.5	  7.746550873541e+00	  7.744044086582e+00	  1.625595590970e+01	  6.371420572386e+00	
-             18.8333	  9.375124349924e+00	  9.372456106636e+00	  1.462754389061e+01	  6.833351769771e+00	
-             19.1666	  1.081616435699e+01	  1.081332243663e+01	  1.318667756164e+01	  7.201577340319e+00	
-                19.5	  1.189711477283e+01	  1.189411416971e+01	  1.210588582944e+01	  7.457984760712e+00	
-             19.8333	  1.247718192302e+01	  1.247408415261e+01	  1.152591584704e+01	  7.589581188890e+00	
+                   0	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
+            0.166666	  2.173421535788e+01	  2.173403615953e+01	  2.265963837554e+00	  2.269804797032e+01	
+            0.499999	  1.732877881413e+01	  1.732819001087e+01	  6.671809981447e+00	  2.011807085412e+01	
+            0.833333	  1.328084086748e+01	  1.327978568454e+01	  1.072021430458e+01	  1.760856603204e+01	
+             1.16667	  9.764795286473e+00	  9.763307030585e+00	  1.423669295683e+01	  1.521227157407e+01	
+                 1.5	  6.876991640216e+00	  6.875215357913e+00	  1.712478462908e+01	  1.296595961051e+01	
+             1.83333	  4.633455928133e+00	  4.631602980060e+00	  1.936839700747e+01	  1.089879733963e+01	
+             2.16666	  2.983966658034e+00	  2.982242889576e+00	  2.101775709910e+01	  9.031344427781e+00	
+                 2.5	  1.835677067050e+00	  1.834226374349e+00	  2.216577361580e+01	  7.375229710910e+00	
+             2.83333	  1.078314727713e+00	  1.077198297073e+00	  2.292280169464e+01	  5.933476222844e+00	
+             3.16666	  6.047305557783e-01	  6.039382767914e-01	  2.339606171644e+01	  4.701379781820e+00	
+                 3.5	  3.237709470080e-01	  3.232490525632e-01	  2.367675094204e+01	  3.667800399953e+00	
+             3.83333	  1.655104664086e-01	  1.651896628001e-01	  2.383481033299e+01	  2.816701882844e+00	
+             4.16666	  8.080257204240e-02	  8.061777229753e-02	  2.391938222449e+01	  2.128773573946e+00	
+                 4.5	  3.768568646672e-02	  3.758557520676e-02	  2.396241442239e+01	  1.582986272153e+00	
+             4.83333	  1.679767756894e-02	  1.674652868459e-02	  2.398325346955e+01	  1.157966472262e+00	
+             5.16666	  7.158752063679e-03	  7.134045500782e-03	  2.399286595322e+01	  8.331126368298e-01	
+             5.49999	  2.918449214332e-03	  2.907143229955e-03	  2.399709285586e+01	  5.894176946328e-01	
+             5.83333	  1.138722696040e-03	  1.133812460285e-03	  2.399886618691e+01	  4.099979928622e-01	
+             6.16666	  4.254688736287e-04	  4.234417524596e-04	  2.399957655782e+01	  2.803568840129e-01	
+             6.49999	  1.523139982618e-04	  1.515173752178e-04	  2.399984848233e+01	  1.884293356574e-01	
+             6.83333	  5.227267557720e-05	  5.197429168637e-05	  2.399994802552e+01	  1.244625136586e-01	
+             7.16666	  1.720732480116e-05	  1.710067686712e-05	  2.399998289920e+01	  8.078763518547e-02	
+             7.49999	  5.436192373459e-06	  5.399780020770e-06	  2.399999460014e+01	  5.153271367855e-02	
+             7.83333	  1.649130959657e-06	  1.637243353861e-06	  2.399999836271e+01	  3.231654723819e-02	
+             8.16666	  4.806491381349e-07	  4.769347036557e-07	  2.399999952303e+01	  1.995365519988e-02	
+             8.49999	  1.346725366297e-07	  1.335606226401e-07	  2.399999986642e+01	  1.218958904340e-02	
+             8.83332	  3.634765898121e-08	  3.602792250445e-08	  2.399999996396e+01	  7.477287156789e-03	
+             9.16666	  9.688623034758e-09	  9.597781456237e-09	  2.399999999039e+01	  4.798487471577e-03	
+             9.49999	  3.521368975345e-09	  3.486221174512e-09	  2.399999999651e+01	  3.529761278078e-03	
+             9.83332	  5.266906600210e-09	  5.215747970494e-09	  2.399999999478e+01	  3.350250042338e-03	
+             10.1667	  1.826871464229e-08	  1.810246493779e-08	  2.399999998189e+01	  4.187235209478e-03	
+                10.5	  6.734356349056e-08	  6.676736728859e-08	  2.399999993322e+01	  6.195716015130e-03	
+             10.8333	  2.402639314420e-07	  2.383343475339e-07	  2.399999976165e+01	  9.768664014259e-03	
+             11.1667	  8.242843018529e-07	  8.180891310115e-07	  2.399999918189e+01	  1.557505013666e-02	
+                11.5	  2.716922549622e-06	  2.697877300187e-06	  2.399999730208e+01	  2.462264894765e-02	
+             11.8333	  8.598959192629e-06	  8.542946913518e-06	  2.399999145699e+01	  3.834165440595e-02	
+             12.1667	  2.611819663843e-05	  2.596074280454e-05	  2.399997403917e+01	  5.868305693760e-02	
+                12.5	  7.608967015818e-05	  7.566701745618e-05	  2.399992433285e+01	  8.822247450200e-02	
+             12.8333	  2.124941138159e-04	  2.114118449125e-04	  2.399978858795e+01	  1.302558794738e-01	
+             13.1667	  5.685367828663e-04	  5.658959587685e-04	  2.399943410375e+01	  1.888688939345e-01	
+                13.5	  1.456506511045e-03	  1.450373187822e-03	  2.399854962640e+01	  2.689568433456e-01	
+             13.8333	  3.570772369452e-03	  3.557230846966e-03	  2.399644276858e+01	  3.761696764504e-01	
+             14.1667	  8.372702446682e-03	  8.344318209114e-03	  2.399165568100e+01	  5.167554989993e-01	
+                14.5	  1.876668623423e-02	  1.871028306261e-02	  2.398128971588e+01	  6.972801618698e-01	
+             14.8333	  4.018855158439e-02	  4.008246069532e-02	  2.395991753791e+01	  9.242091443386e-01	
+             15.1667	  8.218587185627e-02	  8.199729506180e-02	  2.391800270313e+01	  1.203352315083e+00	
+                15.5	  1.604262488969e-01	  1.601100284715e-01	  2.383988996925e+01	  1.539191520808e+00	
+             15.8333	  2.987859018573e-01	  2.982865097097e-01	  2.370171348749e+01	  1.934133647612e+00	
+             16.1667	  5.307585250720e-01	  5.300169112943e-01	  2.346998308535e+01	  2.387754908519e+00	
+                16.5	  8.989956902916e-01	  8.979611508074e-01	  2.310203884528e+01	  2.896121734265e+00	
+             16.8333	  1.451582042996e+00	  1.450226361452e+00	  2.254977363414e+01	  3.451285434101e+00	
+             17.1666	  2.233972730862e+00	  2.232300602876e+00	  2.176769939234e+01	  4.041047732561e+00	
+                17.5	  3.276610346604e+00	  3.274658958333e+00	  2.072534103671e+01	  4.649079608377e+00	
+             17.8333	  4.580032365347e+00	  4.577856581120e+00	  1.942214341402e+01	  5.255445898756e+00	
+             18.1666	  6.101263069883e+00	  6.098911107801e+00	  1.790108888775e+01	  5.837544906627e+00	
+                18.5	  7.746550873541e+00	  7.744044086582e+00	  1.625595590970e+01	  6.371420572385e+00	
+             18.8333	  9.375124349924e+00	  9.372456106636e+00	  1.462754389061e+01	  6.833351769770e+00	
+             19.1666	  1.081616435699e+01	  1.081332243663e+01	  1.318667756164e+01	  7.201577340318e+00	
+                19.5	  1.189711477283e+01	  1.189411416971e+01	  1.210588582943e+01	  7.457984760712e+00	
+             19.8333	  1.247718192302e+01	  1.247408415261e+01	  1.152591584704e+01	  7.589581188889e+00	
diff --git a/phreeqc3-examples/ex12a.out b/phreeqc3-examples/ex12a.out
index a208c7c7..f8fc81e7 100644
--- a/phreeqc3-examples/ex12a.out
+++ b/phreeqc3-examples/ex12a.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
diff --git a/phreeqc3-examples/ex12a.sel b/phreeqc3-examples/ex12a.sel
index 737186d3..ed20e23d 100644
--- a/phreeqc3-examples/ex12a.sel
+++ b/phreeqc3-examples/ex12a.sel
@@ -1,5 +1,5 @@
               dist_x	                temp	             Na_mmol	              K_mmol	             Cl_mmol	            error_Cl	            error_Na	
-                   0	  2.400000000000e+01	  2.400000000001e+01	  0.000000000000e+00	  2.400000000001e+01	
+                   0	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
                  0.5	  0.000000000000e+00	  0.000000000000e+00	  2.400000000010e+01	  0.000000000000e+00	
                  1.5	  0.000000000000e+00	  0.000000000000e+00	  2.400000000010e+01	  0.000000000000e+00	
                  2.5	  0.000000000000e+00	  0.000000000000e+00	  2.400000000010e+01	  0.000000000000e+00	
@@ -20,17 +20,17 @@
                 17.5	  0.000000000000e+00	  0.000000000000e+00	  2.400000000010e+01	  0.000000000000e+00	
                 18.5	  0.000000000000e+00	  0.000000000000e+00	  2.400000000010e+01	  0.000000000000e+00	
                 19.5	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
-                   0	  2.400000000000e+01	  2.400000000001e+01	  0.000000000000e+00	  2.400000000001e+01	 -2.401100845928e-11	 -2.401057130896e-11	
-                 0.5	  1.686181418415e+01	  1.686133609178e+01	  7.138663899854e+00	  2.011377529319e+01	  4.381717848272e-06	  5.068336357383e-04	
-                 1.5	  6.421492325960e+00	  6.419558988193e+00	  1.758044099841e+01	  1.294968671941e+01	  1.730376475858e-05	  5.127073405275e-04	
-                 2.5	  1.759908541854e+00	  1.758534659760e+00	  2.224146533044e+01	  7.342808261289e+00	  3.561257293223e-05	  9.186006160917e-05	
-                 3.5	  3.571924631562e-01	  3.567054178267e-01	  2.364329457694e+01	  3.623408283677e+00	  4.959925524357e-05	 -3.682506955372e-05	
-                 4.5	  5.490209781371e-02	  5.479279662420e-02	  2.394520720114e+01	  1.538555967128e+00	  5.006313596798e-05	 -1.968447681420e-05	
-                 5.5	  6.484238380348e-03	  6.467124487003e-03	  2.399353287476e+01	  5.556625533108e-01	  3.820767165765e-05	 -4.051252484619e-06	
-                 6.5	  5.926340095484e-04	  5.906785140034e-04	  2.399940932133e+01	  1.684990632467e-01	  2.262672987214e-05	 -4.873052767781e-07	
-                 7.5	  4.190926756604e-05	  4.174299654829e-05	  2.399995825704e+01	  4.224784404202e-02	  1.054699173426e-05	 -3.900783491554e-08	
-                 8.5	  2.276345750780e-06	  2.265781717013e-06	  2.399999773430e+01	  8.664946370890e-03	  3.823149392512e-06	 -2.221207693064e-09	
-                 9.5	  1.396593677778e-07	  1.389123928276e-07	  2.399999986118e+01	  2.055609847092e-03	
+                   0	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	 -2.400000337355e-11	 -2.400000684299e-11	
+                 0.5	  1.686181418415e+01	  1.686133609177e+01	  7.138663899854e+00	  2.011377529319e+01	  4.381717856952e-06	  5.068336357464e-04	
+                 1.5	  6.421492325960e+00	  6.419558988189e+00	  1.758044099840e+01	  1.294968671940e+01	  1.730376476416e-05	  5.127073405313e-04	
+                 2.5	  1.759908541854e+00	  1.758534659759e+00	  2.224146533044e+01	  7.342808261286e+00	  3.561257293540e-05	  9.186006161037e-05	
+                 3.5	  3.571924631562e-01	  3.567054178264e-01	  2.364329457693e+01	  3.623408283676e+00	  4.959925524514e-05	 -3.682506955347e-05	
+                 4.5	  5.490209781371e-02	  5.479279662416e-02	  2.394520720113e+01	  1.538555967128e+00	  5.006313596864e-05	 -1.968447681416e-05	
+                 5.5	  6.484238380348e-03	  6.467124486998e-03	  2.399353287476e+01	  5.556625533105e-01	  3.820767165789e-05	 -4.051252484614e-06	
+                 6.5	  5.926340095484e-04	  5.906785140029e-04	  2.399940932133e+01	  1.684990632467e-01	  2.262672987221e-05	 -4.873052767777e-07	
+                 7.5	  4.190926756604e-05	  4.174299654826e-05	  2.399995825704e+01	  4.224784404200e-02	  1.054699173428e-05	 -3.900783491551e-08	
+                 8.5	  2.276345750780e-06	  2.265781717011e-06	  2.399999773430e+01	  8.664946370886e-03	  3.823149392516e-06	 -2.221207693063e-09	
+                 9.5	  1.396593677778e-07	  1.389123928275e-07	  2.399999986118e+01	  2.055609847092e-03	
                 10.5	  1.138869021831e-06	  1.133447609651e-06	  2.399999886664e+01	  4.374443607422e-03	
                 11.5	  2.090811414205e-05	  2.082226931298e-05	  2.399997917780e+01	  2.044715368546e-02	
                 12.5	  2.951795282278e-04	  2.941575642002e-04	  2.399970584241e+01	  7.995922685932e-02	
@@ -101,44 +101,44 @@
              19.1667	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
                 19.5	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
              19.8333	  2.400000000000e+01	  2.400000000000e+01	  0.000000000000e+00	  2.400000000000e+01	
-            0.166667	  2.173421305916e+01	  2.173403386064e+01	  2.265966136453e+00	  2.269804666232e+01	
-                 0.5	  1.732877230198e+01	  1.732818349806e+01	  6.671816494266e+00	  2.011806700219e+01	  9.000885020996e-08	  3.998622945188e-05	
-            0.833333	  1.328083118787e+01	  1.327977600374e+01	  1.072022398538e+01	  1.760855984596e+01	
-             1.16667	  9.764783869793e+00	  9.763295612556e+00	  1.423670437487e+01	  1.521226338238e+01	
-                 1.5	  6.876979954453e+00	  6.875203671277e+00	  1.712479631572e+01	  1.296594983170e+01	  1.040652464979e-06	  5.706265744324e-05	
-             1.83333	  4.633445178532e+00	  4.631592230631e+00	  1.936840775690e+01	  1.089878644682e+01	
-             2.16667	  2.983957613764e+00	  2.982233846718e+00	  2.101776614197e+01	  9.031332911154e+00	
-                 2.5	  1.835670035272e+00	  1.834219344985e+00	  2.216578064517e+01	  7.375218041925e+00	  3.202792296072e-06	  1.617537638391e-05	
-             2.83333	  1.078309641703e+00	  1.077193213981e+00	  2.292280677774e+01	  5.933464823770e+00	
-             3.16667	  6.047271172834e-01	  6.039348411910e-01	  2.339606515204e+01	  4.701369003158e+00	
-                 3.5	  3.237687663205e-01	  3.232468743681e-01	  2.367675312023e+01	  3.667790507030e+00	  5.217031890525e-06	 -3.366526095183e-06	
-             3.83333	  1.655091653734e-01	  1.651883636812e-01	  2.383481163211e+01	  2.816693051605e+00	
-             4.16667	  8.080184009388e-02	  8.061704168694e-02	  2.391938295510e+01	  2.128765894912e+00	
-                 4.5	  3.768529738011e-02	  3.758518697828e-02	  2.396241481061e+01	  1.582979760725e+00	  5.639342371762e-06	 -2.476867168276e-06	
-             4.83333	  1.679748179371e-02	  1.674633341903e-02	  2.398325366481e+01	  1.157961083143e+00	
-             5.16667	  7.158658672534e-03	  7.133952391650e-03	  2.399286604633e+01	  8.331082803358e-01	
-                 5.5	  2.918406916536e-03	  2.907101078214e-03	  2.399709289802e+01	  5.894142528792e-01	  4.455972089240e-06	 -4.912290758305e-07	
-             5.83333	  1.138704483513e-03	  1.133794318824e-03	  2.399886620505e+01	  4.099953343115e-01	
-             6.16667	  4.254614091982e-04	  4.234343206141e-04	  2.399957656525e+01	  2.803548753978e-01	
-                 6.5	  1.523110828883e-04	  1.515144739609e-04	  2.399984848524e+01	  1.884278508359e-01	  2.697942282987e-06	 -4.814123673560e-08	
-             6.83333	  5.227158933236e-05	  5.197321123251e-05	  2.399994802660e+01	  1.244614394111e-01	
-             7.16667	  1.720693831522e-05	  1.710029263506e-05	  2.399998289958e+01	  8.078687428985e-02	
-                 7.5	  5.436060934909e-06	  5.399649415902e-06	  2.399999460027e+01	  5.153218579106e-02	  1.262649985228e-06	 -2.664487783145e-09	
-             7.83333	  1.649088195275e-06	  1.637200882996e-06	  2.399999836275e+01	  3.231618817632e-02	
-             8.16667	  4.806358157844e-07	  4.769214798039e-07	  2.399999952305e+01	  1.995341519605e-02	
-                 8.5	  1.346685590700e-07	  1.335566766313e-07	  2.399999986642e+01	  1.218943044883e-02	  2.986653145740e-07	 -8.898265268258e-11	
-             8.83333	  3.634651793240e-08	  3.602679113547e-08	  2.399999996396e+01	  7.477181955867e-03	
-             9.16667	  9.688299803978e-09	  9.597461159252e-09	  2.399999999040e+01	  4.798414843919e-03	
-                 9.5	  3.521245209155e-09	  3.486098607352e-09	  2.399999999651e+01	  3.529705336617e-03	
-             9.83333	  5.266729325119e-09	  5.215572366277e-09	  2.399999999478e+01	  3.350197792357e-03	
-             10.1667	  1.826814042878e-08	  1.810189577526e-08	  2.399999998189e+01	  4.187174719459e-03	
+            0.166667	  2.173421305916e+01	  2.173403386063e+01	  2.265966136452e+00	  2.269804666231e+01	
+                 0.5	  1.732877230198e+01	  1.732818349806e+01	  6.671816494265e+00	  2.011806700218e+01	  9.000885944563e-08	  3.998622946029e-05	
+            0.833333	  1.328083118787e+01	  1.327977600374e+01	  1.072022398538e+01	  1.760855984595e+01	
+             1.16667	  9.764783869793e+00	  9.763295612551e+00	  1.423670437487e+01	  1.521226338238e+01	
+                 1.5	  6.876979954453e+00	  6.875203671273e+00	  1.712479631572e+01	  1.296594983169e+01	  1.040652470946e-06	  5.706265744742e-05	
+             1.83333	  4.633445178532e+00	  4.631592230628e+00	  1.936840775690e+01	  1.089878644681e+01	
+             2.16667	  2.983957613764e+00	  2.982233846716e+00	  2.101776614197e+01	  9.031332911150e+00	
+                 2.5	  1.835670035272e+00	  1.834219344984e+00	  2.216578064517e+01	  7.375218041922e+00	  3.202792299459e-06	  1.617537638526e-05	
+             2.83333	  1.078309641703e+00	  1.077193213980e+00	  2.292280677773e+01	  5.933464823767e+00	
+             3.16667	  6.047271172834e-01	  6.039348411906e-01	  2.339606515204e+01	  4.701369003156e+00	
+                 3.5	  3.237687663205e-01	  3.232468743679e-01	  2.367675312023e+01	  3.667790507028e+00	  5.217031892205e-06	 -3.366526094913e-06	
+             3.83333	  1.655091653734e-01	  1.651883636811e-01	  2.383481163211e+01	  2.816693051604e+00	
+             4.16667	  8.080184009388e-02	  8.061704168687e-02	  2.391938295510e+01	  2.128765894911e+00	
+                 4.5	  3.768529738011e-02	  3.758518697824e-02	  2.396241481061e+01	  1.582979760724e+00	  5.639342372489e-06	 -2.476867168243e-06	
+             4.83333	  1.679748179371e-02	  1.674633341902e-02	  2.398325366481e+01	  1.157961083143e+00	
+             5.16667	  7.158658672534e-03	  7.133952391643e-03	  2.399286604633e+01	  8.331082803354e-01	
+                 5.5	  2.918406916536e-03	  2.907101078212e-03	  2.399709289802e+01	  5.894142528789e-01	  4.455972089510e-06	 -4.912290758279e-07	
+             5.83333	  1.138704483513e-03	  1.133794318823e-03	  2.399886620505e+01	  4.099953343114e-01	
+             6.16667	  4.254614091982e-04	  4.234343206137e-04	  2.399957656525e+01	  2.803548753976e-01	
+                 6.5	  1.523110828883e-04	  1.515144739607e-04	  2.399984848524e+01	  1.884278508358e-01	  2.697942283073e-06	 -4.814123673546e-08	
+             6.83333	  5.227158933236e-05	  5.197321123247e-05	  2.399994802660e+01	  1.244614394110e-01	
+             7.16667	  1.720693831522e-05	  1.710029263504e-05	  2.399998289958e+01	  8.078687428981e-02	
+                 7.5	  5.436060934909e-06	  5.399649415897e-06	  2.399999460027e+01	  5.153218579103e-02	  1.262649985251e-06	 -2.664487783140e-09	
+             7.83333	  1.649088195275e-06	  1.637200882995e-06	  2.399999836275e+01	  3.231618817631e-02	
+             8.16667	  4.806358157844e-07	  4.769214798034e-07	  2.399999952305e+01	  1.995341519604e-02	
+                 8.5	  1.346685590700e-07	  1.335566766312e-07	  2.399999986642e+01	  1.218943044882e-02	  2.986653145795e-07	 -8.898265268245e-11	
+             8.83333	  3.634651793240e-08	  3.602679113544e-08	  2.399999996396e+01	  7.477181955864e-03	
+             9.16667	  9.688299803978e-09	  9.597461159243e-09	  2.399999999040e+01	  4.798414843917e-03	
+                 9.5	  3.521245209155e-09	  3.486098607350e-09	  2.399999999651e+01	  3.529705336616e-03	
+             9.83333	  5.266729325119e-09	  5.215572366276e-09	  2.399999999478e+01	  3.350197792357e-03	
+             10.1667	  1.826814042878e-08	  1.810189577525e-08	  2.399999998189e+01	  4.187174719459e-03	
                 10.5	  6.734157441183e-08	  6.676539459885e-08	  2.399999993322e+01	  6.195634766519e-03	
              10.8333	  2.402572726136e-07	  2.383277400061e-07	  2.399999976166e+01	  9.768547401637e-03	
-             11.1667	  8.242629300769e-07	  8.180679126565e-07	  2.399999918191e+01	  1.557488011882e-02	
+             11.1667	  8.242629300769e-07	  8.180679126564e-07	  2.399999918191e+01	  1.557488011882e-02	
                 11.5	  2.716856871595e-06	  2.697812059732e-06	  2.399999730215e+01	  2.462240289906e-02	
              11.8333	  8.598766106045e-06	  8.542755015542e-06	  2.399999145719e+01	  3.834130428025e-02	
              12.1667	  2.611765408526e-05	  2.596020332212e-05	  2.399997403971e+01	  5.868256892109e-02	
-                12.5	  7.608821445992e-05	  7.566556929143e-05	  2.399992433429e+01	  8.822180939210e-02	
+                12.5	  7.608821445992e-05	  7.566556929142e-05	  2.399992433429e+01	  8.822180939210e-02	
              12.8333	  2.124903882618e-04	  2.114081368791e-04	  2.399978859166e+01	  1.302549940497e-01	
              13.1667	  5.685276979853e-04	  5.658869124423e-04	  2.399943411280e+01	  1.888677435760e-01	
                 13.5	  1.456485427866e-03	  1.450352184743e-03	  2.399854964740e+01	  2.689553860821e-01	
diff --git a/phreeqc3-examples/ex13a.out b/phreeqc3-examples/ex13a.out
index 687ebc49..566b957b 100644
--- a/phreeqc3-examples/ex13a.out
+++ b/phreeqc3-examples/ex13a.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -141,7 +142,7 @@ Initial solution 1.
 
                                        pH  =   7.000    
                                        pe  =  13.622      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -227,7 +228,7 @@ X                1.000e-03 mol
 
                                        pH  =   7.000      Charge balance
                                        pe  =  13.622      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -255,7 +256,7 @@ H(0)          0.000e+00
 K             1.000e-03
    K+              1.000e-03   9.649e-04    -3.000    -3.016    -0.016      9.01
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.96
+   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.89
    NH3             0.000e+00   0.000e+00   -65.158   -65.158     0.000     24.42
 N(0)          1.351e-19
    N2              6.757e-20   6.759e-20   -19.170   -19.170     0.000     29.29
diff --git a/phreeqc3-examples/ex13ac.out b/phreeqc3-examples/ex13ac.out
index c1ffbb60..6d99ba6b 100644
--- a/phreeqc3-examples/ex13ac.out
+++ b/phreeqc3-examples/ex13ac.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -141,7 +142,7 @@ Initial solution 1.
 
                                        pH  =   7.000    
                                        pe  =  13.622      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -227,7 +228,7 @@ X                1.000e-03 mol
 
                                        pH  =   7.000      Charge balance
                                        pe  =  13.622      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -255,7 +256,7 @@ H(0)          0.000e+00
 K             1.000e-03
    K+              1.000e-03   9.649e-04    -3.000    -3.016    -0.016      9.01
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.96
+   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.89
    NH3             0.000e+00   0.000e+00   -65.158   -65.158     0.000     24.42
 N(0)          1.351e-19
    N2              6.757e-20   6.759e-20   -19.170   -19.170     0.000     29.29
diff --git a/phreeqc3-examples/ex13b.out b/phreeqc3-examples/ex13b.out
index d3c45b2c..83257bbb 100644
--- a/phreeqc3-examples/ex13b.out
+++ b/phreeqc3-examples/ex13b.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -141,7 +142,7 @@ Initial solution 1.
 
                                        pH  =   7.000    
                                        pe  =  13.622      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -227,7 +228,7 @@ X                1.000e-03 mol
 
                                        pH  =   7.000      Charge balance
                                        pe  =  13.622      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -255,7 +256,7 @@ H(0)          0.000e+00
 K             1.000e-03
    K+              1.000e-03   9.649e-04    -3.000    -3.016    -0.016      9.01
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.96
+   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.89
    NH3             0.000e+00   0.000e+00   -65.158   -65.158     0.000     24.42
 N(0)          1.351e-19
    N2              6.757e-20   6.759e-20   -19.170   -19.170     0.000     29.29
diff --git a/phreeqc3-examples/ex13c.out b/phreeqc3-examples/ex13c.out
index 5b39c4a4..5102e6e4 100644
--- a/phreeqc3-examples/ex13c.out
+++ b/phreeqc3-examples/ex13c.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -141,7 +142,7 @@ Initial solution 1.
 
                                        pH  =   7.000    
                                        pe  =  13.622      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -227,7 +228,7 @@ X                1.000e-03 mol
 
                                        pH  =   7.000      Charge balance
                                        pe  =  13.622      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 140
+      Specific Conductance (µS/cm,  25°C)  = 141
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00301
                         Viscosity (mPa s)  =   0.89011
@@ -255,7 +256,7 @@ H(0)          0.000e+00
 K             1.000e-03
    K+              1.000e-03   9.649e-04    -3.000    -3.016    -0.016      9.01
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.96
+   NH4+            0.000e+00   0.000e+00   -62.898   -62.914    -0.016     17.89
    NH3             0.000e+00   0.000e+00   -65.158   -65.158     0.000     24.42
 N(0)          1.351e-19
    N2              6.757e-20   6.759e-20   -19.170   -19.170     0.000     29.29
diff --git a/phreeqc3-examples/ex14.out b/phreeqc3-examples/ex14.out
index f83c0560..71a465f4 100644
--- a/phreeqc3-examples/ex14.out
+++ b/phreeqc3-examples/ex14.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -87,21 +88,21 @@ Initial solution 1.	Brine
 
                                        pH  =   5.713    
                                        pe  =  14.962      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 264118
-                          Density (g/cm³)  =   1.21637
-                               Volume (L)  =   1.13692
-                        Viscosity (mPa s)  =   1.95530
+      Specific Conductance (µS/cm,  25°C)  = 243000
+                          Density (g/cm³)  =   1.21629
+                               Volume (L)  =   1.13700
+                        Viscosity (mPa s)  =   1.95441
                         Activity of water  =   0.785
-                 Ionic strength (mol/kgw)  =   7.269e+00
+                 Ionic strength (mol/kgw)  =   7.270e+00
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   3.725e-03
+                 Total alkalinity (eq/kg)  =   3.608e-03
                        Total CO2 (mol/kg)  =   3.960e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -2.164e-15
+                  Electrical balance (eq)  =  -3.249e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  12
-                                  Total H  = 1.110162e+02
-                                  Total O  = 5.553686e+01
+                               Iterations  =  14
+                                  Total H  = 1.110160e+02
+                                  Total O  = 5.553674e+01
 
 ----------------------------Distribution of species----------------------------
 
@@ -113,83 +114,83 @@ Initial solution 1.	Brine
    H2O             5.551e+01   7.846e-01     1.744    -0.105     0.000     18.07
 As            2.500e-08
    H2AsO4-         2.498e-08   1.374e-07    -7.602    -6.862     0.740     (0)  
-   H3AsO4          8.668e-12   4.623e-11   -11.062   -10.335     0.727     (0)  
-   HAsO4-2         8.510e-12   7.778e-09   -11.070    -8.109     2.961     (0)  
-   AsO4-3          2.765e-21   1.270e-14   -20.558   -13.896     6.662     (0)  
+   H3AsO4          8.669e-12   4.623e-11   -11.062   -10.335     0.727     (0)  
+   HAsO4-2         8.507e-12   7.779e-09   -11.070    -8.109     2.961     (0)  
+   AsO4-3          2.763e-21   1.270e-14   -20.559   -13.896     6.663     (0)  
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -144.672  -143.945     0.727     35.46
+   CH4             0.000e+00   0.000e+00  -144.496  -143.769     0.727     35.46
 C(4)          3.960e-03
-   CaHCO3+         1.913e-03   1.159e-03    -2.718    -2.936    -0.218     10.08
-   MgHCO3+         1.571e-03   7.824e-04    -2.804    -3.107    -0.303      6.01
-   CO2             2.346e-04   7.083e-04    -3.630    -3.150     0.480     34.43
-   HCO3-           2.207e-04   1.276e-04    -3.656    -3.894    -0.238     36.42
-   NaHCO3          1.947e-05   9.149e-04    -4.711    -3.039     1.672     28.00
-   CaCO3           6.929e-07   3.695e-06    -6.159    -5.432     0.727    -14.60
-   MgCO3           2.898e-07   1.545e-06    -6.538    -5.811     0.727    -17.09
-   CO3-2           2.763e-08   3.091e-09    -7.559    -8.510    -0.951      9.50
-   (CO2)2          1.727e-09   9.208e-09    -8.763    -8.036     0.727     68.87
+   MgHCO3+         2.344e-03   1.167e-03    -2.630    -2.933    -0.303      6.01
+   CaHCO3+         8.690e-04   5.263e-04    -3.061    -3.279    -0.218    123.05
+   CO2             3.518e-04   1.062e-03    -3.454    -2.974     0.480     34.43
+   HCO3-           3.309e-04   1.914e-04    -3.480    -3.718    -0.238     37.32
+   NaHCO3          6.284e-05   1.787e-03    -4.202    -2.748     1.454     31.73
+   CaCO3           1.041e-06   5.551e-06    -5.983    -5.256     0.727    -14.60
+   MgCO3           4.324e-07   2.306e-06    -6.364    -5.637     0.727    -17.09
+   CO3-2           4.143e-08   4.635e-09    -7.383    -8.334    -0.951     10.19
+   (CO2)2          3.882e-09   2.070e-08    -8.411    -7.684     0.727     68.87
 Ca            4.655e-01
-   Ca+2            4.635e-01   7.115e-01    -0.334    -0.148     0.186    -13.79
-   CaHCO3+         1.913e-03   1.159e-03    -2.718    -2.936    -0.218     10.08
-   CaSO4           1.076e-04   5.737e-04    -3.968    -3.241     0.727      7.50
-   CaCO3           6.929e-07   3.695e-06    -6.159    -5.432     0.727    -14.60
-   CaOH+           8.702e-09   4.785e-08    -8.060    -7.320     0.740     (0)  
-   CaHSO4+         1.328e-09   7.302e-09    -8.877    -8.137     0.740     (0)  
+   Ca+2            4.643e-01   7.129e-01    -0.333    -0.147     0.186    -13.79
+   CaHCO3+         8.690e-04   5.263e-04    -3.061    -3.279    -0.218    123.05
+   CaSO4           3.227e-04   1.721e-03    -3.491    -2.764     0.727      7.50
+   CaCO3           1.041e-06   5.551e-06    -5.983    -5.256     0.727    -14.60
+   CaOH+           8.717e-09   4.794e-08    -8.060    -7.319     0.740     (0)  
+   CaHSO4+         3.984e-09   2.191e-08    -8.400    -7.659     0.740     (0)  
 Cl            6.642e+00
    Cl-             6.642e+00   4.165e+00     0.822     0.620    -0.203     20.27
    HCl             2.238e-09   2.778e-06    -8.650    -5.556     3.094     (0)  
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -45.226   -44.499     0.727     28.61
 Mg            1.609e-01
-   Mg+2            1.593e-01   5.239e-01    -0.798    -0.281     0.517    -17.22
-   MgHCO3+         1.571e-03   7.824e-04    -2.804    -3.107    -0.303      6.01
-   MgSO4           2.187e-05   6.220e-04    -4.660    -3.206     1.454     -0.83
-   MgOH+           1.231e-06   7.707e-07    -5.910    -6.113    -0.204     (0)  
-   MgCO3           2.898e-07   1.545e-06    -6.538    -5.811     0.727    -17.09
-   Mg(SO4)2-2      2.456e-08   9.289e-09    -7.610    -8.032    -0.422     60.47
+   Mg+2            1.585e-01   5.213e-01    -0.800    -0.283     0.517    -17.22
+   MgHCO3+         2.344e-03   1.167e-03    -2.630    -2.933    -0.303      6.01
+   MgSO4           6.515e-05   1.853e-03    -4.186    -2.732     1.454     -7.92
+   MgOH+           1.225e-06   7.669e-07    -5.912    -6.115    -0.204     (0)  
+   MgCO3           4.324e-07   2.306e-06    -6.364    -5.637     0.727    -17.09
+   Mg(SO4)2-2      2.191e-07   8.286e-08    -6.659    -7.082    -0.422     54.97
 Na            5.402e+00
-   Na+             5.397e+00   1.072e+01     0.732     1.030     0.298      1.52
-   NaSO4-          4.504e-03   1.899e-04    -2.346    -3.722    -1.375     44.00
-   NaHCO3          1.947e-05   9.149e-04    -4.711    -3.039     1.672     28.00
+   Na+             5.398e+00   1.072e+01     0.732     1.030     0.298      1.52
+   NaSO4-          4.063e-03   2.370e-03    -2.391    -2.625    -0.234     35.76
+   NaHCO3          6.284e-05   1.787e-03    -4.202    -2.748     1.454     31.73
    NaOH            8.245e-19   4.397e-18   -18.084   -17.357     0.727     (0)  
-O(0)          9.586e-05
+O(0)          9.585e-05
    O2              4.793e-05   2.556e-04    -4.319    -3.592     0.727     30.40
 S(-2)         0.000e+00
-   H2S             0.000e+00   0.000e+00  -141.880  -141.153     0.727     36.27
-   HS-             0.000e+00   0.000e+00  -142.046  -142.382    -0.335     23.12
-   S-2             0.000e+00   0.000e+00  -148.573  -149.587    -1.013     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -284.311  -283.584     0.727     30.09
+   H2S             0.000e+00   0.000e+00  -141.404  -140.677     0.727     36.27
+   HS-             0.000e+00   0.000e+00  -141.570  -141.905    -0.335     23.12
+   S-2             0.000e+00   0.000e+00  -148.097  -149.110    -1.013     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -283.359  -282.632     0.727     30.09
 S(6)          4.725e-03
-   NaSO4-          4.504e-03   1.899e-04    -2.346    -3.722    -1.375     44.00
-   CaSO4           1.076e-04   5.737e-04    -3.968    -3.241     0.727      7.50
-   SO4-2           9.132e-05   4.534e-06    -4.039    -5.344    -1.304     24.85
-   MgSO4           2.187e-05   6.220e-04    -4.660    -3.206     1.454     -0.83
-   Mg(SO4)2-2      2.456e-08   9.289e-09    -7.610    -8.032    -0.422     60.47
-   CaHSO4+         1.328e-09   7.302e-09    -8.877    -8.137     0.740     (0)  
-   HSO4-           1.553e-10   8.536e-10    -9.809    -9.069     0.740     42.16
+   NaSO4-          4.063e-03   2.370e-03    -2.391    -2.625    -0.234     35.76
+   CaSO4           3.227e-04   1.721e-03    -3.491    -2.764     0.727      7.50
+   SO4-2           2.734e-04   1.358e-05    -3.563    -4.867    -1.304     85.83
+   MgSO4           6.515e-05   1.853e-03    -4.186    -2.732     1.454     -7.92
+   Mg(SO4)2-2      2.191e-07   8.286e-08    -6.659    -7.082    -0.422     54.97
+   CaHSO4+         3.984e-09   2.191e-08    -8.400    -7.659     0.740     (0)  
+   HSO4-           4.648e-10   2.556e-09    -9.333    -8.592     0.740     42.16
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -1.21     -5.49   -4.28  CaSO4
-  Aragonite        -0.32     -8.66   -8.34  CaCO3
-  Calcite          -0.18     -8.66   -8.48  CaCO3
-  CH4(g)         -141.14   -143.95   -2.80  CH4
-  CO2(g)           -1.68     -3.15   -1.47  CO2
-  Dolomite         -0.36    -17.45  -17.08  CaMg(CO3)2
-  Epsomite         -4.62     -6.36   -1.74  MgSO4:7H2O
-  Gypsum           -1.12     -5.70   -4.58  CaSO4:2H2O
+  Anhydrite        -0.74     -5.01   -4.28  CaSO4
+  Aragonite        -0.14     -8.48   -8.34  CaCO3
+  Calcite          -0.00     -8.48   -8.48  CaCO3
+  CH4(g)         -140.97   -143.77   -2.80  CH4
+  CO2(g)           -1.51     -2.97   -1.47  CO2
+  Dolomite         -0.01    -17.10  -17.08  CaMg(CO3)2
+  Epsomite         -4.15     -5.89   -1.74  MgSO4:7H2O
+  Gypsum           -0.64     -5.22   -4.58  CaSO4:2H2O
   H2(g)           -41.40    -44.50   -3.10  H2
   H2O(g)           -1.61     -0.11    1.50  H2O
-  H2S(g)         -140.16   -148.09   -7.94  H2S
+  H2S(g)         -139.68   -147.62   -7.94  H2S
   Halite            0.08      1.65    1.57  NaCl
-  Hexahydrite      -4.69     -6.26   -1.57  MgSO4:6H2O
-  Kieserite        -4.57     -5.73   -1.16  MgSO4:H2O
-  Mirabilite       -3.10     -4.34   -1.24  Na2SO4:10H2O
+  Hexahydrite      -4.22     -5.78   -1.57  MgSO4:6H2O
+  Kieserite        -4.09     -5.26   -1.16  MgSO4:H2O
+  Mirabilite       -2.62     -3.86   -1.24  Na2SO4:10H2O
   O2(g)            -0.70     -3.59   -2.89  O2	 Pressure   0.2 atm, phi 1.000
-  Sulfur         -104.69    -99.80    4.88  S
-  Thenardite       -2.98     -3.28   -0.30  Na2SO4
+  Sulfur         -104.21    -99.33    4.88  S
+  Thenardite       -2.51     -2.81   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -229,128 +230,128 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Calcite           0.00    -8.48     -8.48    1.000e-01   1.049e-01   4.907e-03
-Dolomite          0.00   -17.08    -17.08    1.600e+00   1.598e+00  -2.489e-03
+Calcite           0.00    -8.48     -8.48    1.000e-01   1.065e-01   6.536e-03
+Dolomite          0.00   -17.08    -17.08    1.600e+00   1.597e+00  -3.272e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
 	As                2.500e-08   2.500e-08
-	C                 4.031e-03   4.031e-03
-	Ca                4.631e-01   4.631e-01
+	C                 3.968e-03   3.968e-03
+	Ca                4.622e-01   4.622e-01
 	Cl                6.642e+00   6.642e+00
-	Mg                1.634e-01   1.634e-01
+	Mg                1.642e-01   1.642e-01
 	Na                5.402e+00   5.402e+00
 	S                 4.725e-03   4.725e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   5.879      Charge balance
-                                       pe  =  14.796      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 264107
-                          Density (g/cm³)  =   1.21635
-                               Volume (L)  =   1.13691
-                        Viscosity (mPa s)  =   1.95565
+                                       pH  =   5.720      Charge balance
+                                       pe  =  14.955      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 242937
+                          Density (g/cm³)  =   1.21626
+                               Volume (L)  =   1.13699
+                        Viscosity (mPa s)  =   1.95490
                         Activity of water  =   0.785
-                 Ionic strength (mol/kgw)  =   7.269e+00
+                 Ionic strength (mol/kgw)  =   7.270e+00
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   3.867e-03
-                       Total CO2 (mol/kg)  =   4.031e-03
+                 Total alkalinity (eq/kg)  =   3.625e-03
+                       Total CO2 (mol/kg)  =   3.968e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   7.756e-13
+                  Electrical balance (eq)  =   3.117e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =   3
-                                  Total H  = 1.110162e+02
-                                  Total O  = 5.553707e+01
+                               Iterations  =   2
+                                  Total H  = 1.110160e+02
+                                  Total O  = 5.553677e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.882e-06   1.322e-06    -5.725    -5.879    -0.153      0.00
-   OH-             1.300e-08   6.005e-09    -7.886    -8.221    -0.335      6.33
+   H+              2.712e-06   1.905e-06    -5.567    -5.720    -0.153      0.00
+   OH-             9.023e-09   4.168e-09    -8.045    -8.380    -0.335      6.33
    H2O             5.551e+01   7.846e-01     1.744    -0.105     0.000     18.07
 As            2.500e-08
    H2AsO4-         2.498e-08   1.374e-07    -7.602    -6.862     0.740     (0)  
-   HAsO4-2         1.246e-11   1.139e-08   -10.904    -7.944     2.961     (0)  
-   H3AsO4          5.919e-12   3.157e-11   -11.228   -10.501     0.727     (0)  
-   AsO4-3          5.930e-21   2.724e-14   -20.227   -13.565     6.662     (0)  
+   HAsO4-2         8.646e-12   7.906e-09   -11.063    -8.102     2.961     (0)  
+   H3AsO4          8.529e-12   4.549e-11   -11.069   -10.342     0.727     (0)  
+   AsO4-3          2.854e-21   1.312e-14   -20.545   -13.882     6.663     (0)  
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -144.824  -144.097     0.727     35.46
-C(4)          4.031e-03
-   CaHCO3+         1.967e-03   1.191e-03    -2.706    -2.924    -0.218     10.08
-   MgHCO3+         1.648e-03   8.210e-04    -2.783    -3.086    -0.303      6.01
-   HCO3-           2.281e-04   1.319e-04    -3.642    -3.880    -0.238     36.42
-   CO2             1.656e-04   5.000e-04    -3.781    -3.301     0.480     34.43
-   NaHCO3          2.013e-05   9.457e-04    -4.696    -3.024     1.672     28.00
+   CH4             0.000e+00   0.000e+00  -144.506  -143.780     0.727     35.46
+C(4)          3.968e-03
+   MgHCO3+         2.375e-03   1.183e-03    -2.624    -2.927    -0.303      6.01
+   CaHCO3+         8.569e-04   5.189e-04    -3.067    -3.285    -0.218    123.05
+   CO2             3.437e-04   1.038e-03    -3.464    -2.984     0.480     34.43
+   HCO3-           3.286e-04   1.901e-04    -3.483    -3.721    -0.238     37.32
+   NaHCO3          6.240e-05   1.775e-03    -4.205    -2.751     1.454     31.73
    CaCO3           1.043e-06   5.563e-06    -5.982    -5.255     0.727    -14.60
    MgCO3           4.453e-07   2.375e-06    -6.351    -5.624     0.727    -17.09
-   CO3-2           4.182e-08   4.679e-09    -7.379    -8.330    -0.951      9.50
-   (CO2)2          8.605e-10   4.588e-09    -9.065    -8.338     0.727     68.87
-Ca            4.631e-01
-   Ca+2            4.610e-01   7.077e-01    -0.336    -0.150     0.186    -13.79
-   CaHCO3+         1.967e-03   1.191e-03    -2.706    -2.924    -0.218     10.08
-   CaSO4           1.070e-04   5.707e-04    -3.971    -3.244     0.727      7.50
+   CO3-2           4.181e-08   4.678e-09    -7.379    -8.330    -0.951     10.19
+   (CO2)2          3.706e-09   1.976e-08    -8.431    -7.704     0.727     68.87
+Ca            4.622e-01
+   Ca+2            4.611e-01   7.079e-01    -0.336    -0.150     0.186    -13.79
+   CaHCO3+         8.569e-04   5.189e-04    -3.067    -3.285    -0.218    123.05
+   CaSO4           3.205e-04   1.709e-03    -3.494    -2.767     0.727      7.50
    CaCO3           1.043e-06   5.563e-06    -5.982    -5.255     0.727    -14.60
-   CaOH+           1.267e-08   6.969e-08    -7.897    -7.157     0.740     (0)  
-   CaHSO4+         9.022e-10   4.961e-09    -9.045    -8.304     0.740     (0)  
+   CaOH+           8.798e-09   4.838e-08    -8.056    -7.315     0.740     (0)  
+   CaHSO4+         3.893e-09   2.141e-08    -8.410    -7.669     0.740     (0)  
 Cl            6.642e+00
    Cl-             6.642e+00   4.165e+00     0.822     0.620    -0.203     20.27
-   HCl             1.529e-09   1.897e-06    -8.816    -5.722     3.094     (0)  
+   HCl             2.202e-09   2.734e-06    -8.657    -5.563     3.094     (0)  
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -45.226   -44.499     0.727     28.61
-Mg            1.634e-01
-   Mg+2            1.617e-01   5.318e-01    -0.791    -0.274     0.517    -17.22
-   MgHCO3+         1.648e-03   8.210e-04    -2.783    -3.086    -0.303      6.01
-   MgSO4           2.220e-05   6.314e-04    -4.654    -3.200     1.454     -0.83
-   MgOH+           1.831e-06   1.146e-06    -5.737    -5.941    -0.204     (0)  
+Mg            1.642e-01
+   Mg+2            1.617e-01   5.320e-01    -0.791    -0.274     0.517    -17.22
+   MgHCO3+         2.375e-03   1.183e-03    -2.624    -2.927    -0.303      6.01
+   MgSO4           6.650e-05   1.891e-03    -4.177    -2.723     1.454     -7.92
+   MgOH+           1.271e-06   7.954e-07    -5.896    -6.099    -0.204     (0)  
    MgCO3           4.453e-07   2.375e-06    -6.351    -5.624     0.727    -17.09
-   Mg(SO4)2-2      2.494e-08   9.431e-09    -7.603    -8.025    -0.422     60.47
+   Mg(SO4)2-2      2.237e-07   8.458e-08    -6.650    -7.073    -0.422     54.97
 Na            5.402e+00
-   Na+             5.397e+00   1.072e+01     0.732     1.030     0.298      1.52
-   NaSO4-          4.504e-03   1.899e-04    -2.346    -3.721    -1.375     43.99
-   NaHCO3          2.013e-05   9.457e-04    -4.696    -3.024     1.672     28.00
-   NaOH            1.207e-18   6.438e-18   -17.918   -17.191     0.727     (0)  
-O(0)          9.586e-05
+   Na+             5.398e+00   1.072e+01     0.732     1.030     0.298      1.52
+   NaSO4-          4.064e-03   2.370e-03    -2.391    -2.625    -0.234     35.76
+   NaHCO3          6.240e-05   1.775e-03    -4.205    -2.751     1.454     31.73
+   NaOH            8.380e-19   4.469e-18   -18.077   -17.350     0.727     (0)  
+O(0)          9.585e-05
    O2              4.793e-05   2.556e-04    -4.319    -3.592     0.727     30.40
 S(-2)         0.000e+00
-   H2S             0.000e+00   0.000e+00  -142.211  -141.484     0.727     36.27
-   HS-             0.000e+00   0.000e+00  -142.212  -142.547    -0.335     23.12
-   S-2             0.000e+00   0.000e+00  -148.573  -149.587    -1.013     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -284.974  -284.247     0.727     30.09
+   H2S             0.000e+00   0.000e+00  -141.418  -140.691     0.727     36.27
+   HS-             0.000e+00   0.000e+00  -141.577  -141.912    -0.335     23.12
+   S-2             0.000e+00   0.000e+00  -148.097  -149.110    -1.013     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -283.387  -282.660     0.727     30.09
 S(6)          4.725e-03
-   NaSO4-          4.504e-03   1.899e-04    -2.346    -3.721    -1.375     43.99
-   CaSO4           1.070e-04   5.707e-04    -3.971    -3.244     0.727      7.50
-   SO4-2           9.132e-05   4.534e-06    -4.039    -5.343    -1.304     24.85
-   MgSO4           2.220e-05   6.314e-04    -4.654    -3.200     1.454     -0.83
-   Mg(SO4)2-2      2.494e-08   9.431e-09    -7.603    -8.025    -0.422     60.47
-   CaHSO4+         9.022e-10   4.961e-09    -9.045    -8.304     0.740     (0)  
-   HSO4-           1.060e-10   5.830e-10    -9.975    -9.234     0.740     42.16
+   NaSO4-          4.064e-03   2.370e-03    -2.391    -2.625    -0.234     35.76
+   CaSO4           3.205e-04   1.709e-03    -3.494    -2.767     0.727      7.50
+   SO4-2           2.735e-04   1.358e-05    -3.563    -4.867    -1.304     85.83
+   MgSO4           6.650e-05   1.891e-03    -4.177    -2.723     1.454     -7.92
+   Mg(SO4)2-2      2.237e-07   8.458e-08    -6.650    -7.073    -0.422     54.97
+   CaHSO4+         3.893e-09   2.141e-08    -8.410    -7.669     0.740     (0)  
+   HSO4-           4.574e-10   2.515e-09    -9.340    -8.599     0.740     42.16
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -1.22     -5.49   -4.28  CaSO4
+  Anhydrite        -0.74     -5.02   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)         -141.29   -144.10   -2.80  CH4
-  CO2(g)           -1.83     -3.30   -1.47  CO2
+  CH4(g)         -140.98   -143.78   -2.80  CH4
+  CO2(g)           -1.52     -2.98   -1.47  CO2
   Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
-  Epsomite         -4.62     -6.36   -1.74  MgSO4:7H2O
-  Gypsum           -1.12     -5.70   -4.58  CaSO4:2H2O
+  Epsomite         -4.14     -5.88   -1.74  MgSO4:7H2O
+  Gypsum           -0.65     -5.23   -4.58  CaSO4:2H2O
   H2(g)           -41.40    -44.50   -3.10  H2
   H2O(g)           -1.61     -0.11    1.50  H2O
-  H2S(g)         -140.49   -148.43   -7.94  H2S
+  H2S(g)         -139.70   -147.63   -7.94  H2S
   Halite            0.08      1.65    1.57  NaCl
-  Hexahydrite      -4.68     -6.25   -1.57  MgSO4:6H2O
-  Kieserite        -4.56     -5.72   -1.16  MgSO4:H2O
-  Mirabilite       -3.10     -4.34   -1.24  Na2SO4:10H2O
+  Hexahydrite      -4.21     -5.77   -1.57  MgSO4:6H2O
+  Kieserite        -4.09     -5.25   -1.16  MgSO4:H2O
+  Mirabilite       -2.62     -3.86   -1.24  Na2SO4:10H2O
   O2(g)            -0.70     -3.59   -2.89  O2
-  Sulfur         -105.02   -100.14    4.88  S
-  Thenardite       -2.98     -3.28   -0.30  Na2SO4
+  Sulfur         -104.22    -99.34    4.88  S
+  Thenardite       -2.51     -2.81   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -396,11 +397,11 @@ Surface 1.
 Diffuse Double Layer Surface-Complexation Model
 
 Surf          
-	  5.179e-02  Surface charge, eq
-	  2.776e-01  sigma, C/m²
-	  4.071e-02  psi, V
-	 -1.584e+00  -F*psi/RT
-	  2.051e-01  exp(-F*psi/RT)
+	  5.630e-02  Surface charge, eq
+	  3.018e-01  sigma, C/m²
+	  4.360e-02  psi, V
+	 -1.697e+00  -F*psi/RT
+	  1.832e-01  exp(-F*psi/RT)
 	  6.000e+02  specific area, m²/g
 	  1.800e+04  m² for   3.000e+01 g
 
@@ -410,12 +411,12 @@ Surf
 	                                   Mole                     Log
 	Species               Moles    Fraction    Molality    Molality
 
-	SurfOH2+          5.673e-02       0.810   5.673e-02      -1.246
-	SurfOH            1.073e-02       0.153   1.073e-02      -1.969
-	SurfOHAsO4-3      1.289e-03       0.018   1.289e-03      -2.890
-	SurfHAsO4-        1.028e-03       0.015   1.028e-03      -2.988
-	SurfH2AsO4        1.759e-04       0.003   1.759e-04      -3.755
-	SurfO-            4.649e-05       0.001   4.649e-05      -4.333
+	SurfOH2+          5.939e-02       0.848   5.939e-02      -1.226
+	SurfOH            8.727e-03       0.125   8.727e-03      -2.059
+	SurfHAsO4-        9.359e-04       0.013   9.359e-04      -3.029
+	SurfOHAsO4-3      7.082e-04       0.010   7.082e-04      -3.150
+	SurfH2AsO4        2.061e-04       0.003   2.061e-04      -3.686
+	SurfO-            2.938e-05       0.000   2.938e-05      -4.532
 
 ------------------
 End of simulation.
@@ -463,17 +464,17 @@ Initial solution 0.	20 x precipitation
 
                                        pH  =   4.600    
                                        pe  =  16.022      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 82
+      Specific Conductance (µS/cm,  25°C)  = 81
                           Density (g/cm³)  =   0.99708
                                Volume (L)  =   1.00298
-                        Viscosity (mPa s)  =   0.89051
+                        Viscosity (mPa s)  =   0.89050
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.037e-03
+                 Ionic strength (mol/kgw)  =   1.036e-03
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =  -2.630e-05
                        Total CO2 (mol/kg)  =   1.096e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   7.501e-16
+                  Electrical balance (eq)  =   1.978e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   9
                                   Total H  = 1.110125e+02
@@ -491,53 +492,53 @@ C(-4)         0.000e+00
    CH4             0.000e+00   0.000e+00  -145.553  -145.553     0.000     35.46
 C(4)          1.096e-05
    CO2             1.076e-05   1.076e-05    -4.968    -4.968     0.000     34.43
-   HCO3-           1.975e-07   1.906e-07    -6.704    -6.720    -0.016     24.55
-   CaHCO3+         4.061e-10   3.919e-10    -9.391    -9.407    -0.015      9.67
-   MgHCO3+         6.871e-11   6.627e-11   -10.163   -10.179    -0.016      5.48
-   NaHCO3          1.506e-11   1.507e-11   -10.822   -10.822     0.000     28.00
+   HCO3-           1.975e-07   1.906e-07    -6.704    -6.720    -0.016     24.58
+   CaHCO3+         1.228e-10   1.185e-10    -9.911    -9.926    -0.015    122.64
+   MgHCO3+         6.872e-11   6.627e-11   -10.163   -10.179    -0.016      5.48
+   NaHCO3          1.957e-11   1.958e-11   -10.708   -10.708     0.000     31.73
    (CO2)2          2.126e-12   2.127e-12   -11.672   -11.672     0.000     68.87
-   CO3-2           4.106e-13   3.558e-13   -12.387   -12.449    -0.062     -4.07
-   CaCO3           9.631e-14   9.633e-14   -13.016   -13.016     0.000    -14.60
+   CO3-2           4.105e-13   3.558e-13   -12.387   -12.449    -0.062     -3.93
+   CaCO3           9.632e-14   9.634e-14   -13.016   -13.016     0.000    -14.60
    MgCO3           1.009e-14   1.009e-14   -13.996   -13.996     0.000    -17.09
 Ca            1.916e-04
    Ca+2            1.860e-04   1.612e-04    -3.731    -3.793    -0.062    -18.14
-   CaSO4           5.640e-06   5.642e-06    -5.249    -5.249     0.000      7.50
-   CaHSO4+         9.659e-10   9.315e-10    -9.015    -9.031    -0.016     (0)  
-   CaHCO3+         4.061e-10   3.919e-10    -9.391    -9.407    -0.015      9.67
+   CaSO4           5.634e-06   5.635e-06    -5.249    -5.249     0.000      7.50
+   CaHSO4+         9.648e-10   9.304e-10    -9.016    -9.031    -0.016     (0)  
+   CaHCO3+         1.228e-10   1.185e-10    -9.911    -9.926    -0.015    122.64
    CaOH+           1.104e-12   1.065e-12   -11.957   -11.973    -0.016     (0)  
-   CaCO3           9.631e-14   9.633e-14   -13.016   -13.016     0.000    -14.60
+   CaCO3           9.632e-14   9.634e-14   -13.016   -13.016     0.000    -14.60
 Cl            1.337e-04
    Cl-             1.337e-04   1.289e-04    -3.874    -3.890    -0.016     18.08
    HCl             1.114e-09   1.116e-09    -8.953    -8.952     0.000     (0)  
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -44.394   -44.394     0.000     28.61
 Mg            3.580e-05
-   Mg+2            3.426e-05   2.972e-05    -4.465    -4.527    -0.062    -21.82
-   MgSO4           1.531e-06   1.532e-06    -5.815    -5.815     0.000     -0.83
-   Mg(SO4)2-2      1.143e-09   9.931e-10    -8.942    -9.003    -0.061     34.98
-   MgHCO3+         6.871e-11   6.627e-11   -10.163   -10.179    -0.016      5.48
-   MgOH+           4.450e-12   4.295e-12   -11.352   -11.367    -0.015     (0)  
+   Mg+2            3.427e-05   2.972e-05    -4.465    -4.527    -0.062    -21.82
+   MgSO4           1.529e-06   1.530e-06    -5.816    -5.815     0.000     -7.92
+   Mg(SO4)2-2      1.140e-09   9.908e-10    -8.943    -9.004    -0.061     -4.49
+   MgHCO3+         6.872e-11   6.627e-11   -10.163   -10.179    -0.016      5.48
+   MgOH+           4.450e-12   4.296e-12   -11.352   -11.367    -0.015     (0)  
    MgCO3           1.009e-14   1.009e-14   -13.996   -13.996     0.000    -17.09
 Na            1.227e-04
-   Na+             1.226e-04   1.182e-04    -3.912    -3.927    -0.016     -1.48
-   NaSO4-          9.443e-08   9.092e-08    -7.025    -7.041    -0.016     14.54
-   NaHCO3          1.506e-11   1.507e-11   -10.822   -10.822     0.000     28.00
-   NaOH            4.763e-24   4.764e-24   -23.322   -23.322     0.000     (0)  
+   Na+             1.223e-04   1.179e-04    -3.913    -3.928    -0.016     -1.48
+   NaSO4-          3.912e-07   3.775e-07    -6.408    -6.423    -0.016    -20.88
+   NaHCO3          1.957e-11   1.958e-11   -10.708   -10.708     0.000     31.73
+   NaOH            4.751e-24   4.753e-24   -23.323   -23.323     0.000     (0)  
 O(0)          5.111e-04
    O2              2.555e-04   2.556e-04    -3.593    -3.592     0.000     30.40
 S(-2)         0.000e+00
-   H2S             0.000e+00   0.000e+00  -137.289  -137.289     0.000     36.27
-   HS-             0.000e+00   0.000e+00  -139.615  -139.631    -0.016     20.60
-   S-2             0.000e+00   0.000e+00  -147.887  -147.949    -0.062     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -275.857  -275.857     0.000     30.09
+   H2S             0.000e+00   0.000e+00  -137.290  -137.290     0.000     36.27
+   HS-             0.000e+00   0.000e+00  -139.616  -139.632    -0.016     20.60
+   S-2             0.000e+00   0.000e+00  -147.887  -147.950    -0.062     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -275.858  -275.858     0.000     30.09
 S(6)          2.351e-04
-   SO4-2           2.273e-04   1.969e-04    -3.643    -3.706    -0.062     14.79
-   CaSO4           5.640e-06   5.642e-06    -5.249    -5.249     0.000      7.50
-   MgSO4           1.531e-06   1.532e-06    -5.815    -5.815     0.000     -0.83
-   HSO4-           4.985e-07   4.808e-07    -6.302    -6.318    -0.016     40.28
-   NaSO4-          9.443e-08   9.092e-08    -7.025    -7.041    -0.016     14.54
-   Mg(SO4)2-2      1.143e-09   9.931e-10    -8.942    -9.003    -0.061     34.98
-   CaHSO4+         9.659e-10   9.315e-10    -9.015    -9.031    -0.016     (0)  
+   SO4-2           2.270e-04   1.966e-04    -3.644    -3.706    -0.062     15.61
+   CaSO4           5.634e-06   5.635e-06    -5.249    -5.249     0.000      7.50
+   MgSO4           1.529e-06   1.530e-06    -5.816    -5.815     0.000     -7.92
+   HSO4-           4.979e-07   4.802e-07    -6.303    -6.319    -0.016     40.28
+   NaSO4-          3.912e-07   3.775e-07    -6.408    -6.423    -0.016    -20.88
+   Mg(SO4)2-2      1.140e-09   9.908e-10    -8.943    -9.004    -0.061     -4.49
+   CaHSO4+         9.648e-10   9.304e-10    -9.016    -9.031    -0.016     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -553,7 +554,7 @@ S(6)          2.351e-04
   Gypsum           -2.92     -7.50   -4.58  CaSO4:2H2O
   H2(g)           -41.29    -44.39   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  H2S(g)         -136.29   -144.23   -7.94  H2S
+  H2S(g)         -136.30   -144.23   -7.94  H2S
   Halite           -9.39     -7.82    1.57  NaCl
   Hexahydrite      -6.67     -8.23   -1.57  MgSO4:6H2O
   Kieserite        -7.07     -8.23   -1.16  MgSO4:H2O
@@ -579,100 +580,100 @@ Using pure phase assemblage 0.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -1.50    -2.97     -1.47    1.000e+01   9.996e+00  -4.073e-03
-Calcite           0.00    -8.48     -8.48    1.000e-01   9.968e-02  -3.160e-04
-Dolomite          0.00   -17.08    -17.08    1.600e+00   1.599e+00  -1.366e-03
+CO2(g)           -1.50    -2.97     -1.47    1.000e+01   9.996e+00  -4.032e-03
+Calcite           0.00    -8.48     -8.48    1.000e-01   9.974e-02  -2.569e-04
+Dolomite          0.00   -17.08    -17.08    1.600e+00   1.599e+00  -1.375e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 7.132e-03   7.132e-03
-	Ca                1.874e-03   1.874e-03
+	C                 7.051e-03   7.051e-03
+	Ca                1.824e-03   1.824e-03
 	Cl                1.337e-04   1.337e-04
-	Mg                1.402e-03   1.402e-03
+	Mg                1.411e-03   1.411e-03
 	Na                1.227e-04   1.227e-04
 	S                 2.351e-04   2.351e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.048      Charge balance
-                                       pe  =  13.574      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 588
-                          Density (g/cm³)  =   0.99747
+                                       pH  =   7.047      Charge balance
+                                       pe  =  13.576      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 603
+                          Density (g/cm³)  =   0.99746
                                Volume (L)  =   1.00305
-                        Viscosity (mPa s)  =   0.89326
+                        Viscosity (mPa s)  =   0.89401
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   9.649e-03
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   6.070e-03
-                       Total CO2 (mol/kg)  =   7.132e-03
+                 Total alkalinity (eq/kg)  =   5.989e-03
+                       Total CO2 (mol/kg)  =   7.051e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   2.096e-15
+                  Electrical balance (eq)  =   2.051e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   9
                                   Total H  = 1.110125e+02
-                                  Total O  = 5.552498e+01
+                                  Total O  = 5.552478e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.254e-07   1.130e-07    -6.902    -6.947    -0.045     -4.04
-   H+              9.790e-08   8.953e-08    -7.009    -7.048    -0.039      0.00
+   OH-             1.250e-07   1.126e-07    -6.903    -6.948    -0.045     -4.04
+   H+              9.823e-08   8.983e-08    -7.008    -7.047    -0.039      0.00
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         0.000e+00
    CH4             0.000e+00   0.000e+00  -143.556  -143.555     0.001     35.46
-C(4)          7.132e-03
-   HCO3-           5.895e-03   5.344e-03    -2.229    -2.272    -0.043     24.65
+C(4)          7.051e-03
+   HCO3-           5.875e-03   5.326e-03    -2.231    -2.274    -0.043     24.65
    CO2             1.074e-03   1.076e-03    -2.969    -2.968     0.001     34.43
-   CaHCO3+         8.885e-05   8.066e-05    -4.051    -4.093    -0.042      9.72
-   MgHCO3+         6.157e-05   5.559e-05    -4.211    -4.255    -0.044      5.53
+   MgHCO3+         6.178e-05   5.578e-05    -4.209    -4.254    -0.044      5.53
+   CaHCO3+         2.695e-05   2.447e-05    -4.569    -4.611    -0.042    122.69
    CaCO3           5.551e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
-   CO3-2           4.146e-06   2.799e-06    -5.382    -5.553    -0.171     -3.79
+   CO3-2           4.119e-06   2.780e-06    -5.385    -5.556    -0.171     -3.67
    MgCO3           2.369e-06   2.375e-06    -5.625    -5.624     0.001    -17.09
-   NaHCO3          3.930e-07   3.951e-07    -6.406    -6.403     0.002     28.00
+   NaHCO3          5.094e-07   5.117e-07    -6.293    -6.291     0.002     31.73
    (CO2)2          2.120e-08   2.125e-08    -7.674    -7.673     0.001     68.87
-Ca            1.874e-03
-   Ca+2            1.754e-03   1.183e-03    -2.756    -2.927    -0.171    -17.93
-   CaHCO3+         8.885e-05   8.066e-05    -4.051    -4.093    -0.042      9.72
-   CaSO4           2.555e-05   2.560e-05    -4.593    -4.592     0.001      7.50
+Ca            1.824e-03
+   Ca+2            1.766e-03   1.191e-03    -2.753    -2.924    -0.171    -17.93
+   CaHCO3+         2.695e-05   2.447e-05    -4.569    -4.611    -0.042    122.69
+   CaSO4           2.566e-05   2.572e-05    -4.591    -4.590     0.001      7.50
    CaCO3           5.551e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
-   CaOH+           2.427e-09   2.193e-09    -8.615    -8.659    -0.044     (0)  
-   CaHSO4+         1.668e-11   1.507e-11   -10.778   -10.822    -0.044     (0)  
+   CaOH+           2.435e-09   2.200e-09    -8.613    -8.658    -0.044     (0)  
+   CaHSO4+         1.681e-11   1.519e-11   -10.774   -10.819    -0.044     (0)  
 Cl            1.337e-04
    Cl-             1.337e-04   1.206e-04    -3.874    -3.919    -0.045     18.14
-   HCl             3.686e-12   3.721e-12   -11.433   -11.429     0.004     (0)  
+   HCl             3.698e-12   3.733e-12   -11.432   -11.428     0.004     (0)  
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -44.395   -44.394     0.001     28.61
-Mg            1.402e-03
-   Mg+2            1.310e-03   8.890e-04    -2.883    -3.051    -0.168    -21.62
-   MgHCO3+         6.157e-05   5.559e-05    -4.211    -4.255    -0.044      5.53
-   MgSO4           2.820e-05   2.833e-05    -4.550    -4.548     0.002     -0.83
+Mg            1.411e-03
+   Mg+2            1.319e-03   8.951e-04    -2.880    -3.048    -0.168    -21.62
+   MgHCO3+         6.178e-05   5.578e-05    -4.209    -4.254    -0.044      5.53
+   MgSO4           2.833e-05   2.845e-05    -4.548    -4.546     0.002     -7.92
    MgCO3           2.369e-06   2.375e-06    -5.625    -5.624     0.001    -17.09
-   MgOH+           3.965e-08   3.605e-08    -7.402    -7.443    -0.041     (0)  
-   Mg(SO4)2-2      1.653e-08   1.136e-08    -7.782    -7.945    -0.163     38.49
+   MgOH+           3.979e-08   3.617e-08    -7.400    -7.442    -0.041     (0)  
+   Mg(SO4)2-2      1.656e-08   1.138e-08    -7.781    -7.944    -0.163      6.69
 Na            1.227e-04
-   Na+             1.222e-04   1.106e-04    -3.913    -3.956    -0.043     -1.38
-   NaHCO3          3.930e-07   3.951e-07    -6.406    -6.403     0.002     28.00
-   NaSO4-          5.900e-08   5.257e-08    -7.229    -7.279    -0.050     14.84
-   NaOH            1.247e-21   1.250e-21   -20.904   -20.903     0.001     (0)  
+   Na+             1.219e-04   1.103e-04    -3.914    -3.957    -0.043     -1.38
+   NaHCO3          5.094e-07   5.117e-07    -6.293    -6.291     0.002     31.73
+   NaSO4-          2.405e-07   2.180e-07    -6.619    -6.662    -0.043    -15.24
+   NaOH            1.240e-21   1.243e-21   -20.907   -20.906     0.001     (0)  
 O(0)          5.111e-04
    O2              2.556e-04   2.561e-04    -3.593    -3.592     0.001     30.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -142.245  -142.290    -0.045     20.67
-   H2S             0.000e+00   0.000e+00  -142.397  -142.396     0.001     36.27
-   S-2             0.000e+00   0.000e+00  -147.987  -148.160    -0.173     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -286.071  -286.070     0.001     30.09
+   HS-             0.000e+00   0.000e+00  -142.244  -142.289    -0.045     20.67
+   H2S             0.000e+00   0.000e+00  -142.395  -142.394     0.001     36.27
+   S-2             0.000e+00   0.000e+00  -147.988  -148.161    -0.173     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -286.067  -286.066     0.001     30.09
 S(6)          2.351e-04
-   SO4-2           1.812e-04   1.217e-04    -3.742    -3.915    -0.173     15.04
-   MgSO4           2.820e-05   2.833e-05    -4.550    -4.548     0.002     -0.83
-   CaSO4           2.555e-05   2.560e-05    -4.593    -4.592     0.001      7.50
-   NaSO4-          5.900e-08   5.257e-08    -7.229    -7.279    -0.050     14.84
-   Mg(SO4)2-2      1.653e-08   1.136e-08    -7.782    -7.945    -0.163     38.49
-   HSO4-           1.173e-09   1.059e-09    -8.931    -8.975    -0.044     40.34
-   CaHSO4+         1.668e-11   1.507e-11   -10.778   -10.822    -0.044     (0)  
+   SO4-2           1.808e-04   1.214e-04    -3.743    -3.916    -0.173     17.83
+   MgSO4           2.833e-05   2.845e-05    -4.548    -4.546     0.002     -7.92
+   CaSO4           2.566e-05   2.572e-05    -4.591    -4.590     0.001      7.50
+   NaSO4-          2.405e-07   2.180e-07    -6.619    -6.662    -0.043    -15.24
+   Mg(SO4)2-2      1.656e-08   1.138e-08    -7.781    -7.944    -0.163      6.69
+   HSO4-           1.174e-09   1.060e-09    -8.930    -8.975    -0.044     40.34
+   CaHSO4+         1.681e-11   1.519e-11   -10.774   -10.819    -0.044     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -684,14 +685,14 @@ S(6)          2.351e-04
   CH4(g)         -140.75   -143.56   -2.80  CH4
   CO2(g)           -1.50     -2.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
-  Epsomite         -5.23     -6.97   -1.74  MgSO4:7H2O
+  Epsomite         -5.23     -6.96   -1.74  MgSO4:7H2O
   Gypsum           -2.26     -6.84   -4.58  CaSO4:2H2O
   H2(g)           -41.29    -44.39   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   H2S(g)         -141.40   -149.34   -7.94  H2S
-  Halite           -9.44     -7.87    1.57  NaCl
-  Hexahydrite      -5.40     -6.97   -1.57  MgSO4:6H2O
-  Kieserite        -5.80     -6.97   -1.16  MgSO4:H2O
+  Halite           -9.45     -7.88    1.57  NaCl
+  Hexahydrite      -5.40     -6.96   -1.57  MgSO4:6H2O
+  Kieserite        -5.80     -6.96   -1.16  MgSO4:H2O
   Mirabilite      -10.59    -11.83   -1.24  Na2SO4:10H2O
   O2(g)            -0.70     -3.59   -2.89  O2
   Sulfur         -106.03   -101.15    4.88  S
@@ -942,19 +943,19 @@ Using pure phase assemblage 1.	Pure-phase assemblage after simulation 5.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Calcite          -0.00    -8.48     -8.48    0.000e+00           0   0.000e+00
-Dolomite          0.00   -17.08    -17.08    1.569e+00   1.569e+00   3.047e-07
+Calcite          -0.01    -8.49     -8.48    0.000e+00           0   0.000e+00
+Dolomite          0.00   -17.08    -17.08    1.567e+00   1.567e+00   3.988e-07
 
 ------------------------------Surface composition------------------------------
 
 Diffuse Double Layer Surface-Complexation Model
 
 Surf          
-	  2.274e-03  Surface charge, eq
-	  1.219e-02  sigma, C/m²
-	  4.736e-02  psi, V
-	 -1.843e+00  -F*psi/RT
-	  1.583e-01  exp(-F*psi/RT)
+	  2.452e-03  Surface charge, eq
+	  1.314e-02  sigma, C/m²
+	  5.022e-02  psi, V
+	 -1.955e+00  -F*psi/RT
+	  1.416e-01  exp(-F*psi/RT)
 	  6.000e+02  specific area, m²/g
 	  1.800e+04  m² for   3.000e+01 g
 
@@ -964,12 +965,12 @@ Surf
 	                                   Mole                     Log
 	Species               Moles    Fraction    Molality    Molality
 
-	SurfOH            4.969e-02       0.710   4.969e-02      -1.304
-	SurfOH2+          1.374e-02       0.196   1.374e-02      -1.862
-	SurfO-            4.117e-03       0.059   4.117e-03      -2.385
-	SurfOHAsO4-3      2.448e-03       0.035   2.448e-03      -2.611
-	SurfHAsO4-        4.191e-06       0.000   4.191e-06      -5.378
-	SurfH2AsO4        3.750e-08       0.000   3.750e-08      -7.426
+	SurfOH            5.085e-02       0.726   5.086e-02      -1.294
+	SurfOH2+          1.263e-02       0.180   1.263e-02      -1.899
+	SurfO-            4.692e-03       0.067   4.693e-03      -2.329
+	SurfOHAsO4-3      1.826e-03       0.026   1.826e-03      -2.738
+	SurfHAsO4-        2.521e-06       0.000   2.521e-06      -5.598
+	SurfH2AsO4        2.025e-08       0.000   2.025e-08      -7.694
 
 -----------------------------Exchange composition------------------------------
 
@@ -978,124 +979,124 @@ X                1.000e+00 mol
 	                               Equiv-    Equivalent      Log 
 	Species             Moles      alents      Fraction     Gamma
 
-	CaX2              3.379e-01   6.758e-01   6.758e-01    -0.171
-	MgX2              1.616e-01   3.232e-01   3.232e-01    -0.168
-	NaX               9.585e-04   9.585e-04   9.585e-04    -0.043
+	CaX2              3.368e-01   6.735e-01   6.735e-01    -0.171
+	MgX2              1.628e-01   3.255e-01   3.255e-01    -0.168
+	NaX               9.536e-04   9.536e-04   9.536e-04    -0.043
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	As                3.503e-10   3.503e-10
-	C                 7.132e-03   7.131e-03
-	Ca                1.862e-03   1.861e-03
+	As                1.837e-10   1.837e-10
+	C                 7.050e-03   7.050e-03
+	Ca                1.803e-03   1.803e-03
 	Cl                1.337e-04   1.337e-04
-	Mg                1.414e-03   1.414e-03
+	Mg                1.431e-03   1.431e-03
 	Na                1.227e-04   1.227e-04
 	S                 2.351e-04   2.351e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.048      Charge balance
-                                       pe  =  13.574      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 588
-                          Density (g/cm³)  =   0.99747
+                                       pH  =   7.046      Charge balance
+                                       pe  =  13.576      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 602
+                          Density (g/cm³)  =   0.99746
                                Volume (L)  =   1.00305
-                        Viscosity (mPa s)  =   0.89326
+                        Viscosity (mPa s)  =   0.89401
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   9.647e-03
+                 Ionic strength (mol/kgw)  =   9.645e-03
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   6.069e-03
-                       Total CO2 (mol/kg)  =   7.132e-03
+                 Total alkalinity (eq/kg)  =   5.987e-03
+                       Total CO2 (mol/kg)  =   7.050e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   5.593e-09
+                  Electrical balance (eq)  =   7.167e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  13
+                               Iterations  =  11
                                   Total H  = 1.110125e+02
-                                  Total O  = 5.552498e+01
+                                  Total O  = 5.552477e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.253e-07   1.129e-07    -6.902    -6.947    -0.045     -4.04
-   H+              9.797e-08   8.960e-08    -7.009    -7.048    -0.039      0.00
+   OH-             1.248e-07   1.125e-07    -6.904    -6.949    -0.045     -4.04
+   H+              9.833e-08   8.993e-08    -7.007    -7.046    -0.039      0.00
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
-As            3.503e-10
-   HAsO4-2         2.186e-10   1.456e-10    -9.660    -9.837    -0.177     (0)  
-   H2AsO4-         1.317e-10   1.190e-10    -9.880    -9.925    -0.044     (0)  
-   AsO4-3          1.282e-14   5.138e-15   -13.892   -14.289    -0.397     (0)  
-   H3AsO4          1.848e-15   1.852e-15   -14.733   -14.732     0.001     (0)  
+As            1.837e-10
+   HAsO4-2         1.145e-10   7.625e-11    -9.941   -10.118    -0.177     (0)  
+   H2AsO4-         6.923e-11   6.254e-11   -10.160   -10.204    -0.044     (0)  
+   AsO4-3          6.692e-15   2.681e-15   -14.174   -14.572    -0.397     (0)  
+   H3AsO4          9.752e-16   9.773e-16   -15.011   -15.010     0.001     (0)  
 C(-4)         0.000e+00
    CH4             0.000e+00   0.000e+00  -143.556  -143.555     0.001     35.46
-C(4)          7.132e-03
-   HCO3-           5.894e-03   5.343e-03    -2.230    -2.272    -0.043     24.65
-   CO2             1.075e-03   1.076e-03    -2.969    -2.968     0.001     34.43
-   CaHCO3+         8.825e-05   8.012e-05    -4.054    -4.096    -0.042      9.72
-   MgHCO3+         6.207e-05   5.604e-05    -4.207    -4.251    -0.044      5.53
-   CaCO3           5.510e-06   5.522e-06    -5.259    -5.258     0.001    -14.60
-   CO3-2           4.143e-06   2.797e-06    -5.383    -5.553    -0.171     -3.79
-   MgCO3           2.387e-06   2.392e-06    -5.622    -5.621     0.001    -17.09
-   NaHCO3          3.930e-07   3.951e-07    -6.406    -6.403     0.002     28.00
-   (CO2)2          2.122e-08   2.127e-08    -7.673    -7.672     0.001     68.87
-Ca            1.862e-03
-   Ca+2            1.742e-03   1.175e-03    -2.759    -2.930    -0.171    -17.93
-   CaHCO3+         8.825e-05   8.012e-05    -4.054    -4.096    -0.042      9.72
-   CaSO4           2.537e-05   2.543e-05    -4.596    -4.595     0.001      7.50
-   CaCO3           5.510e-06   5.522e-06    -5.259    -5.258     0.001    -14.60
-   CaOH+           2.410e-09   2.177e-09    -8.618    -8.662    -0.044     (0)  
-   CaHSO4+         1.658e-11   1.498e-11   -10.780   -10.825    -0.044     (0)  
+C(4)          7.050e-03
+   HCO3-           5.873e-03   5.324e-03    -2.231    -2.274    -0.043     24.65
+   CO2             1.075e-03   1.077e-03    -2.969    -2.968     0.001     34.43
+   MgHCO3+         6.263e-05   5.655e-05    -4.203    -4.248    -0.044      5.53
+   CaHCO3+         2.664e-05   2.418e-05    -4.574    -4.616    -0.042    122.69
+   CaCO3           5.481e-06   5.493e-06    -5.261    -5.260     0.001    -14.60
+   CO3-2           4.113e-06   2.776e-06    -5.386    -5.557    -0.171     -3.67
+   MgCO3           2.400e-06   2.405e-06    -5.620    -5.619     0.001    -17.09
+   NaHCO3          5.093e-07   5.116e-07    -6.293    -6.291     0.002     31.73
+   (CO2)2          2.123e-08   2.128e-08    -7.673    -7.672     0.001     68.87
+Ca            1.803e-03
+   Ca+2            1.746e-03   1.178e-03    -2.758    -2.929    -0.171    -17.93
+   CaHCO3+         2.664e-05   2.418e-05    -4.574    -4.616    -0.042    122.69
+   CaSO4           2.536e-05   2.542e-05    -4.596    -4.595     0.001      7.50
+   CaCO3           5.481e-06   5.493e-06    -5.261    -5.260     0.001    -14.60
+   CaOH+           2.405e-09   2.173e-09    -8.619    -8.663    -0.044     (0)  
+   CaHSO4+         1.663e-11   1.502e-11   -10.779   -10.823    -0.044     (0)  
 Cl            1.337e-04
    Cl-             1.337e-04   1.206e-04    -3.874    -3.919    -0.045     18.14
-   HCl             3.688e-12   3.723e-12   -11.433   -11.429     0.004     (0)  
+   HCl             3.702e-12   3.737e-12   -11.432   -11.427     0.004     (0)  
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -44.395   -44.394     0.001     28.61
-Mg            1.414e-03
-   Mg+2            1.321e-03   8.965e-04    -2.879    -3.047    -0.168    -21.62
-   MgHCO3+         6.207e-05   5.604e-05    -4.207    -4.251    -0.044      5.53
-   MgSO4           2.843e-05   2.856e-05    -4.546    -4.544     0.002     -0.83
-   MgCO3           2.387e-06   2.392e-06    -5.622    -5.621     0.001    -17.09
-   MgOH+           3.996e-08   3.632e-08    -7.398    -7.440    -0.041     (0)  
-   Mg(SO4)2-2      1.666e-08   1.144e-08    -7.778    -7.941    -0.163     38.49
+Mg            1.431e-03
+   Mg+2            1.337e-03   9.078e-04    -2.874    -3.042    -0.168    -21.62
+   MgHCO3+         6.263e-05   5.655e-05    -4.203    -4.248    -0.044      5.53
+   MgSO4           2.872e-05   2.885e-05    -4.542    -4.540     0.002     -7.92
+   MgCO3           2.400e-06   2.405e-06    -5.620    -5.619     0.001    -17.09
+   MgOH+           4.031e-08   3.664e-08    -7.395    -7.436    -0.041     (0)  
+   Mg(SO4)2-2      1.678e-08   1.153e-08    -7.775    -7.938    -0.163      6.68
 Na            1.227e-04
-   Na+             1.222e-04   1.106e-04    -3.913    -3.956    -0.043     -1.38
-   NaHCO3          3.930e-07   3.951e-07    -6.406    -6.403     0.002     28.00
-   NaSO4-          5.899e-08   5.256e-08    -7.229    -7.279    -0.050     14.84
-   NaOH            1.246e-21   1.249e-21   -20.904   -20.903     0.001     (0)  
+   Na+             1.220e-04   1.103e-04    -3.914    -3.957    -0.043     -1.38
+   NaHCO3          5.093e-07   5.116e-07    -6.293    -6.291     0.002     31.73
+   NaSO4-          2.404e-07   2.180e-07    -6.619    -6.662    -0.043    -15.24
+   NaOH            1.239e-21   1.242e-21   -20.907   -20.906     0.001     (0)  
 O(0)          5.111e-04
    O2              2.556e-04   2.561e-04    -3.593    -3.592     0.001     30.40
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -142.244  -142.289    -0.045     20.67
-   H2S             0.000e+00   0.000e+00  -142.396  -142.395     0.001     36.27
-   S-2             0.000e+00   0.000e+00  -147.987  -148.160    -0.173     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -286.070  -286.069     0.001     30.09
+   H2S             0.000e+00   0.000e+00  -142.394  -142.393     0.001     36.27
+   S-2             0.000e+00   0.000e+00  -147.988  -148.161    -0.173     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -286.066  -286.065     0.001     30.09
 S(6)          2.351e-04
-   SO4-2           1.812e-04   1.217e-04    -3.742    -3.915    -0.173     15.04
-   MgSO4           2.843e-05   2.856e-05    -4.546    -4.544     0.002     -0.83
-   CaSO4           2.537e-05   2.543e-05    -4.596    -4.595     0.001      7.50
-   NaSO4-          5.899e-08   5.256e-08    -7.229    -7.279    -0.050     14.84
-   Mg(SO4)2-2      1.666e-08   1.144e-08    -7.778    -7.941    -0.163     38.49
-   HSO4-           1.173e-09   1.060e-09    -8.931    -8.975    -0.044     40.34
-   CaHSO4+         1.658e-11   1.498e-11   -10.780   -10.825    -0.044     (0)  
+   SO4-2           1.807e-04   1.214e-04    -3.743    -3.916    -0.173     17.83
+   MgSO4           2.872e-05   2.885e-05    -4.542    -4.540     0.002     -7.92
+   CaSO4           2.536e-05   2.542e-05    -4.596    -4.595     0.001      7.50
+   NaSO4-          2.404e-07   2.180e-07    -6.619    -6.662    -0.043    -15.24
+   Mg(SO4)2-2      1.678e-08   1.153e-08    -7.775    -7.938    -0.163      6.68
+   HSO4-           1.175e-09   1.061e-09    -8.930    -8.974    -0.044     40.34
+   CaHSO4+         1.663e-11   1.502e-11   -10.779   -10.823    -0.044     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   Anhydrite        -2.57     -6.84   -4.28  CaSO4
-  Aragonite        -0.15     -8.48   -8.34  CaCO3
-  Calcite          -0.00     -8.48   -8.48  CaCO3
+  Aragonite        -0.15     -8.49   -8.34  CaCO3
+  Calcite          -0.01     -8.49   -8.48  CaCO3
   CH4(g)         -140.75   -143.55   -2.80  CH4
   CO2(g)           -1.50     -2.97   -1.47  CO2
   Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
   Epsomite         -5.22     -6.96   -1.74  MgSO4:7H2O
-  Gypsum           -2.26     -6.84   -4.58  CaSO4:2H2O
+  Gypsum           -2.26     -6.85   -4.58  CaSO4:2H2O
   H2(g)           -41.29    -44.39   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   H2S(g)         -141.40   -149.34   -7.94  H2S
-  Halite           -9.44     -7.87    1.57  NaCl
-  Hexahydrite      -5.40     -6.96   -1.57  MgSO4:6H2O
+  Halite           -9.45     -7.88    1.57  NaCl
+  Hexahydrite      -5.39     -6.96   -1.57  MgSO4:6H2O
   Kieserite        -5.80     -6.96   -1.16  MgSO4:H2O
   Mirabilite      -10.59    -11.83   -1.24  Na2SO4:10H2O
   O2(g)            -0.70     -3.59   -2.89  O2
diff --git a/phreeqc3-examples/ex14.sel b/phreeqc3-examples/ex14.sel
index bbfcec5b..ee307064 100644
--- a/phreeqc3-examples/ex14.sel
+++ b/phreeqc3-examples/ex14.sel
@@ -1,202 +1,202 @@
         step	        m_Ca	        m_Mg	        m_Na	     umol_As	          pH	mmol_sorbedAs	
-           1	  4.6308e-01	  1.6339e-01	  5.4020e+00	  2.5000e-02	  5.8786e+00	  0.0000e+00	
-           1	  3.4327e-04	  2.4766e-04	  9.3588e-02	  1.4981e-03	  7.2249e+00	  2.4922e+00	
-           2	  2.8134e-05	  1.9155e-05	  2.3251e-02	  1.7865e-01	  8.6678e+00	  2.4920e+00	
-           3	  1.4944e-05	  9.4043e-06	  1.4415e-02	  1.1859e+00	  9.1722e+00	  2.4908e+00	
-           4	  1.3035e-05	  7.9897e-06	  1.2375e-02	  2.0059e+00	  9.3149e+00	  2.4888e+00	
-           5	  1.2625e-05	  7.6873e-06	  1.1591e-02	  2.3392e+00	  9.3565e+00	  2.4865e+00	
-           6	  1.2652e-05	  7.7097e-06	  1.1203e-02	  2.3871e+00	  9.3613e+00	  2.4841e+00	
-           7	  1.2855e-05	  7.8626e-06	  1.0972e-02	  2.3063e+00	  9.3510e+00	  2.4818e+00	
-           8	  1.3141e-05	  8.0776e-06	  1.0812e-02	  2.1765e+00	  9.3343e+00	  2.4796e+00	
-           9	  1.3473e-05	  8.3263e-06	  1.0686e-02	  2.0333e+00	  9.3149e+00	  2.4776e+00	
-          10	  1.3833e-05	  8.5963e-06	  1.0578e-02	  1.8915e+00	  9.2945e+00	  2.4757e+00	
-          11	  1.4214e-05	  8.8822e-06	  1.0481e-02	  1.7565e+00	  9.2738e+00	  2.4739e+00	
-          12	  1.4614e-05	  9.1817e-06	  1.0391e-02	  1.6301e+00	  9.2531e+00	  2.4723e+00	
-          13	  1.5031e-05	  9.4944e-06	  1.0306e-02	  1.5127e+00	  9.2325e+00	  2.4708e+00	
-          14	  1.5466e-05	  9.8202e-06	  1.0226e-02	  1.4036e+00	  9.2119e+00	  2.4694e+00	
-          15	  1.5919e-05	  1.0160e-05	  1.0151e-02	  1.3025e+00	  9.1915e+00	  2.4681e+00	
-          16	  1.6391e-05	  1.0514e-05	  1.0078e-02	  1.2086e+00	  9.1712e+00	  2.4669e+00	
-          17	  1.6884e-05	  1.0884e-05	  1.0009e-02	  1.1215e+00	  9.1510e+00	  2.4658e+00	
-          18	  1.7399e-05	  1.1270e-05	  9.9436e-03	  1.0406e+00	  9.1309e+00	  2.4647e+00	
-          19	  1.7937e-05	  1.1673e-05	  9.8806e-03	  9.6530e-01	  9.1108e+00	  2.4638e+00	
-          20	  1.8500e-05	  1.2095e-05	  9.8202e-03	  8.9530e-01	  9.0907e+00	  2.4629e+00	
-          21	  1.9088e-05	  1.2536e-05	  9.7623e-03	  8.3017e-01	  9.0707e+00	  2.4620e+00	
-          22	  1.9705e-05	  1.2999e-05	  9.7066e-03	  7.6955e-01	  9.0507e+00	  2.4613e+00	
-          23	  2.0352e-05	  1.3483e-05	  9.6531e-03	  7.1311e-01	  9.0306e+00	  2.4605e+00	
-          24	  2.1030e-05	  1.3992e-05	  9.6016e-03	  6.6055e-01	  9.0106e+00	  2.4599e+00	
-          25	  2.1742e-05	  1.4526e-05	  9.5519e-03	  6.1160e-01	  8.9904e+00	  2.4593e+00	
-          26	  2.2490e-05	  1.5086e-05	  9.5040e-03	  5.6601e-01	  8.9703e+00	  2.4587e+00	
-          27	  2.3276e-05	  1.5676e-05	  9.4577e-03	  5.2355e-01	  8.9501e+00	  2.4582e+00	
-          28	  2.4103e-05	  1.6296e-05	  9.4129e-03	  4.8400e-01	  8.9297e+00	  2.4577e+00	
-          29	  2.4975e-05	  1.6950e-05	  9.3695e-03	  4.4718e-01	  8.9094e+00	  2.4573e+00	
-          30	  2.5893e-05	  1.7638e-05	  9.3274e-03	  4.1289e-01	  8.8889e+00	  2.4568e+00	
-          31	  2.6861e-05	  1.8364e-05	  9.2866e-03	  3.8098e-01	  8.8683e+00	  2.4565e+00	
-          32	  2.7883e-05	  1.9130e-05	  9.2469e-03	  3.5129e-01	  8.8475e+00	  2.4561e+00	
-          33	  2.8962e-05	  1.9940e-05	  9.2083e-03	  3.2367e-01	  8.8267e+00	  2.4558e+00	
-          34	  3.0104e-05	  2.0795e-05	  9.1706e-03	  2.9799e-01	  8.8057e+00	  2.4555e+00	
-          35	  3.1311e-05	  2.1701e-05	  9.1338e-03	  2.7413e-01	  8.7845e+00	  2.4552e+00	
-          36	  3.2589e-05	  2.2659e-05	  9.0978e-03	  2.5196e-01	  8.7632e+00	  2.4550e+00	
-          37	  3.3944e-05	  2.3675e-05	  9.0625e-03	  2.3138e-01	  8.7417e+00	  2.4547e+00	
-          38	  3.5381e-05	  2.4752e-05	  9.0279e-03	  2.1228e-01	  8.7200e+00	  2.4545e+00	
-          39	  3.6906e-05	  2.5896e-05	  8.9938e-03	  1.9457e-01	  8.6982e+00	  2.4543e+00	
-          40	  3.8527e-05	  2.7111e-05	  8.9603e-03	  1.7817e-01	  8.6761e+00	  2.4541e+00	
-          41	  4.0250e-05	  2.8404e-05	  8.9271e-03	  1.6297e-01	  8.6538e+00	  2.4540e+00	
-          42	  4.2085e-05	  2.9779e-05	  8.8942e-03	  1.4892e-01	  8.6313e+00	  2.4538e+00	
-          43	  4.4039e-05	  3.1245e-05	  8.8616e-03	  1.3593e-01	  8.6085e+00	  2.4537e+00	
-          44	  4.6123e-05	  3.2808e-05	  8.8292e-03	  1.2393e-01	  8.5856e+00	  2.4536e+00	
-          45	  4.8348e-05	  3.4476e-05	  8.7967e-03	  1.1285e-01	  8.5623e+00	  2.4535e+00	
-          46	  5.0725e-05	  3.6258e-05	  8.7643e-03	  1.0265e-01	  8.5388e+00	  2.4534e+00	
-          47	  5.3267e-05	  3.8165e-05	  8.7317e-03	  9.3246e-02	  8.5150e+00	  2.4533e+00	
-          48	  5.5988e-05	  4.0205e-05	  8.6989e-03	  8.4599e-02	  8.4910e+00	  2.4532e+00	
-          49	  5.8905e-05	  4.2392e-05	  8.6657e-03	  7.6655e-02	  8.4666e+00	  2.4531e+00	
-          50	  6.2033e-05	  4.4738e-05	  8.6320e-03	  6.9364e-02	  8.4420e+00	  2.4530e+00	
-          51	  6.5393e-05	  4.7257e-05	  8.5977e-03	  6.2681e-02	  8.4170e+00	  2.4530e+00	
-          52	  6.9004e-05	  4.9965e-05	  8.5627e-03	  5.6563e-02	  8.3917e+00	  2.4529e+00	
-          53	  7.2890e-05	  5.2879e-05	  8.5268e-03	  5.0970e-02	  8.3661e+00	  2.4529e+00	
-          54	  7.7076e-05	  5.6019e-05	  8.4899e-03	  4.5865e-02	  8.3401e+00	  2.4528e+00	
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+         120	  1.7390e-03	  1.4068e-03	  3.2355e-04	  1.8859e-04	  7.0552e+00	  1.8289e+00	
+         121	  1.7445e-03	  1.4109e-03	  3.0134e-04	  1.8802e-04	  7.0541e+00	  1.8289e+00	
+         122	  1.7495e-03	  1.4146e-03	  2.8153e-04	  1.8751e-04	  7.0532e+00	  1.8289e+00	
+         123	  1.7540e-03	  1.4179e-03	  2.6388e-04	  1.8706e-04	  7.0524e+00	  1.8289e+00	
+         124	  1.7580e-03	  1.4207e-03	  2.4816e-04	  1.8667e-04	  7.0516e+00	  1.8289e+00	
+         125	  1.7616e-03	  1.4233e-03	  2.3417e-04	  1.8632e-04	  7.0510e+00	  1.8289e+00	
+         126	  1.7648e-03	  1.4255e-03	  2.2171e-04	  1.8600e-04	  7.0504e+00	  1.8289e+00	
+         127	  1.7677e-03	  1.4274e-03	  2.1064e-04	  1.8573e-04	  7.0499e+00	  1.8289e+00	
+         128	  1.7703e-03	  1.4292e-03	  2.0079e-04	  1.8549e-04	  7.0494e+00	  1.8289e+00	
+         129	  1.7727e-03	  1.4307e-03	  1.9203e-04	  1.8527e-04	  7.0490e+00	  1.8289e+00	
+         130	  1.7748e-03	  1.4320e-03	  1.8425e-04	  1.8508e-04	  7.0487e+00	  1.8289e+00	
+         131	  1.7767e-03	  1.4331e-03	  1.7733e-04	  1.8491e-04	  7.0484e+00	  1.8289e+00	
+         132	  1.7784e-03	  1.4341e-03	  1.7119e-04	  1.8476e-04	  7.0481e+00	  1.8289e+00	
+         133	  1.7799e-03	  1.4349e-03	  1.6574e-04	  1.8463e-04	  7.0478e+00	  1.8289e+00	
+         134	  1.7813e-03	  1.4357e-03	  1.6089e-04	  1.8451e-04	  7.0476e+00	  1.8289e+00	
+         135	  1.7826e-03	  1.4363e-03	  1.5659e-04	  1.8441e-04	  7.0474e+00	  1.8289e+00	
+         136	  1.7838e-03	  1.4368e-03	  1.5277e-04	  1.8432e-04	  7.0473e+00	  1.8289e+00	
+         137	  1.7848e-03	  1.4373e-03	  1.4938e-04	  1.8424e-04	  7.0471e+00	  1.8289e+00	
+         138	  1.7858e-03	  1.4376e-03	  1.4637e-04	  1.8417e-04	  7.0470e+00	  1.8289e+00	
+         139	  1.7866e-03	  1.4379e-03	  1.4370e-04	  1.8411e-04	  7.0468e+00	  1.8289e+00	
+         140	  1.7874e-03	  1.4382e-03	  1.4133e-04	  1.8405e-04	  7.0467e+00	  1.8289e+00	
+         141	  1.7882e-03	  1.4384e-03	  1.3922e-04	  1.8400e-04	  7.0467e+00	  1.8289e+00	
+         142	  1.7888e-03	  1.4385e-03	  1.3736e-04	  1.8396e-04	  7.0466e+00	  1.8289e+00	
+         143	  1.7895e-03	  1.4386e-03	  1.3570e-04	  1.8392e-04	  7.0465e+00	  1.8289e+00	
+         144	  1.7900e-03	  1.4387e-03	  1.3423e-04	  1.8389e-04	  7.0464e+00	  1.8289e+00	
+         145	  1.7906e-03	  1.4388e-03	  1.3293e-04	  1.8386e-04	  7.0464e+00	  1.8289e+00	
+         146	  1.7911e-03	  1.4388e-03	  1.3177e-04	  1.8383e-04	  7.0463e+00	  1.8289e+00	
+         147	  1.7915e-03	  1.4388e-03	  1.3075e-04	  1.8381e-04	  7.0463e+00	  1.8289e+00	
+         148	  1.7920e-03	  1.4387e-03	  1.2983e-04	  1.8379e-04	  7.0462e+00	  1.8289e+00	
+         149	  1.7924e-03	  1.4387e-03	  1.2903e-04	  1.8377e-04	  7.0462e+00	  1.8289e+00	
+         150	  1.7928e-03	  1.4386e-03	  1.2831e-04	  1.8376e-04	  7.0462e+00	  1.8289e+00	
+         151	  1.7931e-03	  1.4385e-03	  1.2768e-04	  1.8375e-04	  7.0462e+00	  1.8289e+00	
+         152	  1.7935e-03	  1.4384e-03	  1.2711e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
+         153	  1.7938e-03	  1.4383e-03	  1.2661e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         154	  1.7941e-03	  1.4382e-03	  1.2617e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         155	  1.7944e-03	  1.4381e-03	  1.2578e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         156	  1.7947e-03	  1.4380e-03	  1.2543e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         157	  1.7950e-03	  1.4378e-03	  1.2512e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         158	  1.7953e-03	  1.4377e-03	  1.2484e-04	  1.8369e-04	  7.0461e+00	  1.8289e+00	
+         159	  1.7955e-03	  1.4376e-03	  1.2460e-04	  1.8369e-04	  7.0461e+00	  1.8289e+00	
+         160	  1.7958e-03	  1.4374e-03	  1.2438e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         161	  1.7960e-03	  1.4372e-03	  1.2419e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         162	  1.7963e-03	  1.4371e-03	  1.2402e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         163	  1.7965e-03	  1.4369e-03	  1.2387e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         164	  1.7967e-03	  1.4368e-03	  1.2374e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         165	  1.7970e-03	  1.4366e-03	  1.2362e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         166	  1.7972e-03	  1.4364e-03	  1.2351e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         167	  1.7974e-03	  1.4363e-03	  1.2342e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         168	  1.7976e-03	  1.4361e-03	  1.2334e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         169	  1.7978e-03	  1.4359e-03	  1.2326e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         170	  1.7980e-03	  1.4358e-03	  1.2320e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         171	  1.7982e-03	  1.4356e-03	  1.2314e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         172	  1.7984e-03	  1.4354e-03	  1.2309e-04	  1.8368e-04	  7.0460e+00	  1.8289e+00	
+         173	  1.7986e-03	  1.4353e-03	  1.2304e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         174	  1.7988e-03	  1.4351e-03	  1.2300e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         175	  1.7990e-03	  1.4349e-03	  1.2297e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         176	  1.7992e-03	  1.4348e-03	  1.2294e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         177	  1.7993e-03	  1.4346e-03	  1.2291e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         178	  1.7995e-03	  1.4344e-03	  1.2288e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         179	  1.7997e-03	  1.4343e-03	  1.2286e-04	  1.8369e-04	  7.0460e+00	  1.8289e+00	
+         180	  1.7999e-03	  1.4341e-03	  1.2284e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         181	  1.8001e-03	  1.4339e-03	  1.2282e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         182	  1.8002e-03	  1.4338e-03	  1.2281e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         183	  1.8004e-03	  1.4336e-03	  1.2279e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         184	  1.8006e-03	  1.4335e-03	  1.2278e-04	  1.8370e-04	  7.0461e+00	  1.8289e+00	
+         185	  1.8008e-03	  1.4333e-03	  1.2277e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         186	  1.8009e-03	  1.4331e-03	  1.2276e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         187	  1.8011e-03	  1.4330e-03	  1.2275e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         188	  1.8013e-03	  1.4328e-03	  1.2275e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         189	  1.8014e-03	  1.4327e-03	  1.2274e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         190	  1.8016e-03	  1.4325e-03	  1.2273e-04	  1.8371e-04	  7.0461e+00	  1.8289e+00	
+         191	  1.8018e-03	  1.4324e-03	  1.2273e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         192	  1.8019e-03	  1.4322e-03	  1.2272e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         193	  1.8021e-03	  1.4321e-03	  1.2272e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         194	  1.8022e-03	  1.4319e-03	  1.2272e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         195	  1.8024e-03	  1.4318e-03	  1.2271e-04	  1.8372e-04	  7.0461e+00	  1.8289e+00	
+         196	  1.8025e-03	  1.4316e-03	  1.2271e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
+         197	  1.8027e-03	  1.4315e-03	  1.2271e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
+         198	  1.8028e-03	  1.4313e-03	  1.2270e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
+         199	  1.8030e-03	  1.4312e-03	  1.2270e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
+         200	  1.8032e-03	  1.4310e-03	  1.2270e-04	  1.8373e-04	  7.0461e+00	  1.8289e+00	
diff --git a/phreeqc3-examples/ex16.out b/phreeqc3-examples/ex16.out
index 3e9887f3..b6bac07b 100644
--- a/phreeqc3-examples/ex16.out
+++ b/phreeqc3-examples/ex16.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -78,19 +79,19 @@ Initial solution 1.
 
                                        pH  =   6.200    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 37
+      Specific Conductance (µS/cm,  25°C)  = 38
                           Density (g/cm³)  =   0.99708
                                Volume (L)  =   1.00300
-                        Viscosity (mPa s)  =   0.89033
+                        Viscosity (mPa s)  =   0.89038
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   4.852e-04
+                 Ionic strength (mol/kgw)  =   4.855e-04
                        Mass of water (kg)  =   1.000e+00
-                    Total carbon (mol/kg)  =   7.825e-04
-                       Total CO2 (mol/kg)  =   7.825e-04
+                    Total carbon (mol/kg)  =   7.828e-04
+                       Total CO2 (mol/kg)  =   7.828e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   1.400e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.90
-                               Iterations  =   7
+                               Iterations  =   8
                                   Total H  = 1.110139e+02
                                   Total O  = 5.550924e+01
 
@@ -102,54 +103,56 @@ Initial solution 1.
    H+              6.465e-07   6.310e-07    -6.189    -6.200    -0.011      0.00
    OH-             1.645e-08   1.604e-08    -7.784    -7.795    -0.011     -4.12
    H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
-C(4)          7.825e-04
-   CO2             4.540e-04   4.540e-04    -3.343    -3.343     0.000     34.43
-   HCO3-           3.281e-04   3.200e-04    -3.484    -3.495    -0.011     24.54
-   CaHCO3+         2.940e-07   2.868e-07    -6.532    -6.542    -0.011      9.66
-   MgHCO3+         1.003e-07   9.779e-08    -6.999    -7.010    -0.011      5.47
-   NaHCO3          2.795e-08   2.796e-08    -7.554    -7.554     0.000     28.00
-   CO3-2           2.628e-08   2.379e-08    -7.580    -7.624    -0.043     -4.11
-   (CO2)2          3.783e-09   3.783e-09    -8.422    -8.422     0.000     68.87
-   CaCO3           2.806e-09   2.807e-09    -8.552    -8.552     0.000    -14.60
-   MgCO3           5.927e-10   5.927e-10    -9.227    -9.227     0.000    -17.09
+C(4)          7.828e-04
+   CO2             4.542e-04   4.543e-04    -3.343    -3.343     0.000     34.43
+   HCO3-           3.283e-04   3.202e-04    -3.484    -3.495    -0.011     24.57
+   MgHCO3+         1.003e-07   9.784e-08    -6.999    -7.009    -0.011      5.47
+   CaHCO3+         8.916e-08   8.698e-08    -7.050    -7.061    -0.011    122.63
+   NaHCO3          3.643e-08   3.643e-08    -7.439    -7.438     0.000     31.73
+   CO3-2           2.629e-08   2.380e-08    -7.580    -7.623    -0.043     -3.97
+   KHCO3           3.904e-09   3.904e-09    -8.408    -8.408     0.000     41.03
+   (CO2)2          3.787e-09   3.788e-09    -8.422    -8.422     0.000     68.87
+   CaCO3           2.815e-09   2.815e-09    -8.550    -8.550     0.000    -14.60
+   MgCO3           5.930e-10   5.931e-10    -9.227    -9.227     0.000    -17.09
 Ca            7.800e-05
-   Ca+2            7.760e-05   7.023e-05    -4.110    -4.153    -0.043    -18.17
-   CaHCO3+         2.940e-07   2.868e-07    -6.532    -6.542    -0.011      9.66
-   CaSO4           1.110e-07   1.110e-07    -6.955    -6.955     0.000      7.50
-   CaCO3           2.806e-09   2.807e-09    -8.552    -8.552     0.000    -14.60
-   CaOH+           1.894e-11   1.847e-11   -10.723   -10.733    -0.011     (0)  
-   CaHSO4+         4.721e-13   4.604e-13   -12.326   -12.337    -0.011     (0)  
+   Ca+2            7.780e-05   7.042e-05    -4.109    -4.152    -0.043    -18.17
+   CaSO4           1.111e-07   1.111e-07    -6.954    -6.954     0.000      7.50
+   CaHCO3+         8.916e-08   8.698e-08    -7.050    -7.061    -0.011    122.63
+   CaCO3           2.815e-09   2.815e-09    -8.550    -8.550     0.000    -14.60
+   CaOH+           1.899e-11   1.852e-11   -10.721   -10.732    -0.011     (0)  
+   CaHSO4+         4.725e-13   4.608e-13   -12.326   -12.337    -0.011     (0)  
 Cl            1.400e-05
    Cl-             1.400e-05   1.365e-05    -4.854    -4.865    -0.011     18.07
    HCl             2.966e-12   2.967e-12   -11.528   -11.528     0.000     (0)  
 H(0)          5.636e-24
    H2              2.818e-24   2.818e-24   -23.550   -23.550     0.000     28.61
 K             2.800e-05
-   K+              2.800e-05   2.730e-05    -4.553    -4.564    -0.011      9.00
-   KSO4-           9.153e-10   8.919e-10    -9.038    -9.050    -0.011     17.32
+   K+              2.799e-05   2.730e-05    -4.553    -4.564    -0.011      9.00
+   KHCO3           3.904e-09   3.904e-09    -8.408    -8.408     0.000     41.03
+   KSO4-           3.777e-09   3.685e-09    -8.423    -8.434    -0.011     14.13
 Mg            2.900e-05
    Mg+2            2.884e-05   2.611e-05    -4.540    -4.583    -0.043    -21.86
-   MgHCO3+         1.003e-07   9.779e-08    -6.999    -7.010    -0.011      5.47
-   MgSO4           6.076e-08   6.077e-08    -7.216    -7.216     0.000     -0.83
-   MgCO3           5.927e-10   5.927e-10    -9.227    -9.227     0.000    -17.09
+   MgHCO3+         1.003e-07   9.784e-08    -6.999    -7.009    -0.011      5.47
+   MgSO4           6.065e-08   6.066e-08    -7.217    -7.217     0.000     -7.92
+   MgCO3           5.930e-10   5.931e-10    -9.227    -9.227     0.000    -17.09
    MgOH+           1.540e-10   1.503e-10    -9.812    -9.823    -0.011     (0)  
-   Mg(SO4)2-2      1.963e-12   1.779e-12   -11.707   -11.750    -0.043     33.91
+   Mg(SO4)2-2      1.956e-12   1.773e-12   -11.709   -11.751    -0.043     -8.04
 Na            1.340e-04
-   Na+             1.340e-04   1.307e-04    -3.873    -3.884    -0.011     -1.49
-   NaHCO3          2.795e-08   2.796e-08    -7.554    -7.554     0.000     28.00
-   NaSO4-          4.656e-09   4.537e-09    -8.332    -8.343    -0.011     14.50
-   NaOH            2.096e-22   2.096e-22   -21.679   -21.679     0.000     (0)  
+   Na+             1.339e-04   1.306e-04    -3.873    -3.884    -0.011     -1.49
+   NaHCO3          3.643e-08   3.643e-08    -7.439    -7.438     0.000     31.73
+   NaSO4-          1.934e-08   1.887e-08    -7.713    -7.724    -0.011    -22.22
+   NaOH            2.095e-22   2.096e-22   -21.679   -21.679     0.000     (0)  
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -45.280   -45.280     0.000     30.40
 S(6)          1.000e-05
-   SO4-2           9.823e-06   8.889e-06    -5.008    -5.051    -0.043     14.75
-   CaSO4           1.110e-07   1.110e-07    -6.955    -6.955     0.000      7.50
-   MgSO4           6.076e-08   6.077e-08    -7.216    -7.216     0.000     -0.83
-   NaSO4-          4.656e-09   4.537e-09    -8.332    -8.343    -0.011     14.50
-   KSO4-           9.153e-10   8.919e-10    -9.038    -9.050    -0.011     17.32
-   HSO4-           5.592e-10   5.453e-10    -9.252    -9.263    -0.011     40.27
-   Mg(SO4)2-2      1.963e-12   1.779e-12   -11.707   -11.750    -0.043     33.91
-   CaHSO4+         4.721e-13   4.604e-13   -12.326   -12.337    -0.011     (0)  
+   SO4-2           9.805e-06   8.872e-06    -5.009    -5.052    -0.043     15.25
+   CaSO4           1.111e-07   1.111e-07    -6.954    -6.954     0.000      7.50
+   MgSO4           6.065e-08   6.066e-08    -7.217    -7.217     0.000     -7.92
+   NaSO4-          1.934e-08   1.887e-08    -7.713    -7.724    -0.011    -22.22
+   KSO4-           3.777e-09   3.685e-09    -8.423    -8.434    -0.011     14.13
+   HSO4-           5.581e-10   5.443e-10    -9.253    -9.264    -0.011     40.27
+   Mg(SO4)2-2      1.956e-12   1.773e-12   -11.709   -11.751    -0.043     -8.04
+   CaHSO4+         4.725e-13   4.608e-13   -12.326   -12.337    -0.011     (0)  
 Si            2.730e-04
    H4SiO4          2.729e-04   2.730e-04    -3.564    -3.564     0.000     52.08
    H3SiO4-         6.542e-08   6.379e-08    -7.184    -7.195    -0.011     27.96
@@ -167,13 +170,13 @@ Si            2.730e-04
   Chrysotile      -15.88     16.32   32.20  Mg3Si2O5(OH)4
   CO2(g)           -1.87     -3.34   -1.47  CO2
   Dolomite         -6.90    -23.98  -17.08  CaMg(CO3)2
-  Epsomite         -7.90     -9.63   -1.74  MgSO4:7H2O
+  Epsomite         -7.90     -9.64   -1.74  MgSO4:7H2O
   Gypsum           -4.62     -9.20   -4.58  CaSO4:2H2O
   H2(g)           -20.45    -23.55   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   Halite          -10.32     -8.75    1.57  NaCl
-  Hexahydrite      -8.07     -9.63   -1.57  MgSO4:6H2O
-  Kieserite        -8.47     -9.63   -1.16  MgSO4:H2O
+  Hexahydrite      -8.07     -9.64   -1.57  MgSO4:6H2O
+  Kieserite        -8.47     -9.64   -1.16  MgSO4:H2O
   Mirabilite      -11.58    -12.82   -1.24  Na2SO4:10H2O
   O2(g)           -42.39    -45.28   -2.89  O2
   Quartz            0.42     -3.56   -3.98  SiO2
@@ -206,19 +209,19 @@ Initial solution 2.
 
                                        pH  =   6.800    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 95
+      Specific Conductance (µS/cm,  25°C)  = 97
                           Density (g/cm³)  =   0.99712
                                Volume (L)  =   1.00301
-                        Viscosity (mPa s)  =   0.89066
+                        Viscosity (mPa s)  =   0.89080
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.313e-03
+                 Ionic strength (mol/kgw)  =   1.317e-03
                        Mass of water (kg)  =   1.000e+00
-                    Total carbon (mol/kg)  =   1.199e-03
-                       Total CO2 (mol/kg)  =   1.199e-03
+                    Total carbon (mol/kg)  =   1.200e-03
+                       Total CO2 (mol/kg)  =   1.200e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.400e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.73
-                               Iterations  =   6 (13 overall)
+                               Iterations  =   6 (14 overall)
                                   Total H  = 1.110150e+02
                                   Total O  = 5.551125e+01
 
@@ -228,80 +231,82 @@ Initial solution 2.
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
    H+              1.647e-07   1.585e-07    -6.783    -6.800    -0.017      0.00
-   OH-             6.652e-08   6.386e-08    -7.177    -7.195    -0.018     -4.10
+   OH-             6.653e-08   6.386e-08    -7.177    -7.195    -0.018     -4.10
    H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
-C(4)          1.199e-03
-   HCO3-           8.907e-04   8.558e-04    -3.050    -3.068    -0.017     24.56
-   CO2             3.049e-04   3.050e-04    -3.516    -3.516     0.000     34.43
-   CaHCO3+         2.484e-06   2.388e-06    -5.605    -5.622    -0.017      9.68
-   MgHCO3+         6.230e-07   5.982e-07    -6.205    -6.223    -0.018      5.48
-   CO3-2           2.972e-07   2.532e-07    -6.527    -6.596    -0.069     -4.05
-   NaHCO3          1.422e-07   1.423e-07    -6.847    -6.847     0.000     28.00
-   CaCO3           9.300e-08   9.302e-08    -7.032    -7.031     0.000    -14.60
-   MgCO3           1.443e-08   1.444e-08    -7.841    -7.841     0.000    -17.09
-   (CO2)2          1.707e-09   1.707e-09    -8.768    -8.768     0.000     68.87
+C(4)          1.200e-03
+   HCO3-           8.924e-04   8.574e-04    -3.049    -3.067    -0.017     24.58
+   CO2             3.055e-04   3.055e-04    -3.515    -3.515     0.000     34.43
+   CaHCO3+         7.574e-07   7.279e-07    -6.121    -6.138    -0.017    122.64
+   MgHCO3+         6.241e-07   5.992e-07    -6.205    -6.222    -0.018      5.48
+   CO3-2           2.978e-07   2.537e-07    -6.526    -6.596    -0.070     -3.92
+   NaHCO3          1.855e-07   1.856e-07    -6.732    -6.731     0.000     31.73
+   CaCO3           9.377e-08   9.380e-08    -7.028    -7.028     0.000    -14.60
+   KHCO3           1.470e-08   1.470e-08    -7.833    -7.833     0.000     41.03
+   MgCO3           1.446e-08   1.446e-08    -7.840    -7.840     0.000    -17.09
+   (CO2)2          1.713e-09   1.713e-09    -8.766    -8.766     0.000     68.87
 Ca            2.600e-04
-   Ca+2            2.567e-04   2.187e-04    -3.591    -3.660    -0.070    -18.13
-   CaHCO3+         2.484e-06   2.388e-06    -5.605    -5.622    -0.017      9.68
-   CaSO4           7.901e-07   7.903e-07    -6.102    -6.102     0.000      7.50
-   CaCO3           9.300e-08   9.302e-08    -7.032    -7.031     0.000    -14.60
-   CaOH+           2.385e-10   2.290e-10    -9.623    -9.640    -0.018     (0)  
-   CaHSO4+         8.575e-13   8.234e-13   -12.067   -12.084    -0.018     (0)  
+   Ca+2            2.584e-04   2.201e-04    -3.588    -3.657    -0.070    -18.13
+   CaSO4           7.926e-07   7.928e-07    -6.101    -6.101     0.000      7.50
+   CaHCO3+         7.574e-07   7.279e-07    -6.121    -6.138    -0.017    122.64
+   CaCO3           9.377e-08   9.380e-08    -7.028    -7.028     0.000    -14.60
+   CaOH+           2.400e-10   2.305e-10    -9.620    -9.637    -0.018     (0)  
+   CaHSO4+         8.602e-13   8.260e-13   -12.065   -12.083    -0.018     (0)  
 Cl            3.000e-05
    Cl-             3.000e-05   2.880e-05    -4.523    -4.541    -0.018     18.08
    HCl             1.571e-12   1.573e-12   -11.804   -11.803     0.001     (0)  
 H(0)          3.555e-25
    H2              1.778e-25   1.778e-25   -24.750   -24.750     0.000     28.61
 K             4.000e-05
-   K+              4.000e-05   3.840e-05    -4.398    -4.416    -0.018      9.01
-   KSO4-           2.993e-09   2.869e-09    -8.524    -8.542    -0.018     18.43
+   K+              3.998e-05   3.838e-05    -4.398    -4.416    -0.018      9.01
+   KHCO3           1.470e-08   1.470e-08    -7.833    -7.833     0.000     41.03
+   KSO4-           1.230e-08   1.183e-08    -7.910    -7.927    -0.017     14.15
 Mg            7.101e-05
-   Mg+2            7.005e-05   5.974e-05    -4.155    -4.224    -0.069    -21.81
-   MgHCO3+         6.230e-07   5.982e-07    -6.205    -6.223    -0.018      5.48
-   MgSO4           3.177e-07   3.179e-07    -6.498    -6.498     0.000     -0.83
-   MgCO3           1.443e-08   1.444e-08    -7.841    -7.841     0.000    -17.09
-   MgOH+           1.424e-09   1.369e-09    -8.847    -8.864    -0.017     (0)  
-   Mg(SO4)2-2      2.490e-11   2.128e-11   -10.604   -10.672    -0.068     35.32
+   Mg+2            7.005e-05   5.973e-05    -4.155    -4.224    -0.069    -21.81
+   MgHCO3+         6.241e-07   5.992e-07    -6.205    -6.222    -0.018      5.48
+   MgSO4           3.166e-07   3.168e-07    -6.499    -6.499     0.000     -7.92
+   MgCO3           1.446e-08   1.446e-08    -7.840    -7.840     0.000    -17.09
+   MgOH+           1.424e-09   1.368e-09    -8.847    -8.864    -0.017     (0)  
+   Mg(SO4)2-2      2.474e-11   2.114e-11   -10.607   -10.675    -0.068     -3.35
 Na            2.590e-04
-   Na+             2.589e-04   2.486e-04    -3.587    -3.604    -0.018     -1.47
-   NaHCO3          1.422e-07   1.423e-07    -6.847    -6.847     0.000     28.00
-   NaSO4-          2.060e-08   1.974e-08    -7.686    -7.705    -0.018     14.55
-   NaOH            1.587e-21   1.588e-21   -20.799   -20.799     0.000     (0)  
+   Na+             2.588e-04   2.485e-04    -3.587    -3.605    -0.018     -1.47
+   NaHCO3          1.855e-07   1.856e-07    -6.732    -6.731     0.000     31.73
+   NaSO4-          8.529e-08   8.195e-08    -7.069    -7.086    -0.017    -20.40
+   NaOH            1.587e-21   1.587e-21   -20.800   -20.799     0.000     (0)  
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -42.880   -42.880     0.000     30.40
 S(6)          2.500e-05
-   SO4-2           2.387e-05   2.032e-05    -4.622    -4.692    -0.070     14.81
-   CaSO4           7.901e-07   7.903e-07    -6.102    -6.102     0.000      7.50
-   MgSO4           3.177e-07   3.179e-07    -6.498    -6.498     0.000     -0.83
-   NaSO4-          2.060e-08   1.974e-08    -7.686    -7.705    -0.018     14.55
-   KSO4-           2.993e-09   2.869e-09    -8.524    -8.542    -0.018     18.43
-   HSO4-           3.262e-10   3.132e-10    -9.487    -9.504    -0.018     40.28
-   Mg(SO4)2-2      2.490e-11   2.128e-11   -10.604   -10.672    -0.068     35.32
-   CaHSO4+         8.575e-13   8.234e-13   -12.067   -12.084    -0.018     (0)  
+   SO4-2           2.380e-05   2.026e-05    -4.624    -4.693    -0.070     15.76
+   CaSO4           7.926e-07   7.928e-07    -6.101    -6.101     0.000      7.50
+   MgSO4           3.166e-07   3.168e-07    -6.499    -6.499     0.000     -7.92
+   NaSO4-          8.529e-08   8.195e-08    -7.069    -7.086    -0.017    -20.40
+   KSO4-           1.230e-08   1.183e-08    -7.910    -7.927    -0.017     14.15
+   HSO4-           3.251e-10   3.121e-10    -9.488    -9.506    -0.018     40.28
+   Mg(SO4)2-2      2.474e-11   2.114e-11   -10.607   -10.675    -0.068     -3.35
+   CaHSO4+         8.602e-13   8.260e-13   -12.065   -12.083    -0.018     (0)  
 Si            4.100e-04
    H4SiO4          4.096e-04   4.098e-04    -3.388    -3.387     0.000     52.08
    H3SiO4-         3.970e-07   3.812e-07    -6.401    -6.419    -0.018     27.98
-   H2SiO4-2        1.920e-13   1.636e-13   -12.717   -12.786    -0.069     (0)  
+   H2SiO4-2        1.920e-13   1.636e-13   -12.717   -12.786    -0.070     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   Anhydrite        -4.07     -8.35   -4.28  CaSO4
-  Aragonite        -1.92    -10.26   -8.34  CaCO3
-  Arcanite        -11.64    -13.52   -1.88  K2SO4
-  Calcite          -1.78    -10.26   -8.48  CaCO3
+  Aragonite        -1.92    -10.25   -8.34  CaCO3
+  Arcanite        -11.65    -13.53   -1.88  K2SO4
+  Calcite          -1.77    -10.25   -8.48  CaCO3
   Chalcedony        0.16     -3.39   -3.55  SiO2
   Chrysotile      -10.85     21.35   32.20  Mg3Si2O5(OH)4
-  CO2(g)           -2.05     -3.52   -1.47  CO2
-  Dolomite         -3.99    -21.08  -17.08  CaMg(CO3)2
+  CO2(g)           -2.05     -3.51   -1.47  CO2
+  Dolomite         -3.99    -21.07  -17.08  CaMg(CO3)2
   Epsomite         -7.18     -8.92   -1.74  MgSO4:7H2O
   Gypsum           -3.77     -8.35   -4.58  CaSO4:2H2O
   H2(g)           -21.65    -24.75   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  Halite           -9.71     -8.14    1.57  NaCl
+  Halite           -9.72     -8.15    1.57  NaCl
   Hexahydrite      -7.35     -8.92   -1.57  MgSO4:6H2O
-  Kieserite        -7.75     -8.92   -1.16  MgSO4:H2O
+  Kieserite        -7.76     -8.92   -1.16  MgSO4:H2O
   Mirabilite      -10.66    -11.90   -1.24  Na2SO4:10H2O
   O2(g)           -39.99    -42.88   -2.89  O2
   Quartz            0.59     -3.39   -3.98  SiO2
@@ -328,7 +333,7 @@ Solution 1:
              Al      0.000e+00  +   0.000e+00  =   0.000e+00
      Alkalinity      3.280e-04  +   8.200e-06  =   3.362e-04
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
-           C(4)      7.825e-04  +   0.000e+00  =   7.825e-04
+           C(4)      7.828e-04  +   0.000e+00  =   7.828e-04
              Ca      7.800e-05  +  -2.550e-06  =   7.545e-05
              Cl      1.400e-05  +   0.000e+00  =   1.400e-05
            H(0)      0.000e+00  +   0.000e+00  =   0.000e+00
@@ -347,7 +352,7 @@ Solution 2:
              Al      0.000e+00  +   0.000e+00  =   0.000e+00
      Alkalinity      8.951e-04  +  -1.480e-05  =   8.803e-04
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
-           C(4)      1.199e-03  +   0.000e+00  =   1.199e-03
+           C(4)      1.200e-03  +   0.000e+00  =   1.200e-03
              Ca      2.600e-04  +   0.000e+00  =   2.600e-04
              Cl      3.000e-05  +   0.000e+00  =   3.000e-05
            H(0)      0.000e+00  +   0.000e+00  =   0.000e+00
@@ -364,12 +369,12 @@ Solution fractions:                   Minimum        Maximum
    Solution   2      1.000e+00      1.000e+00      1.000e+00
 
 Phase mole transfers:                 Minimum        Maximum   Formula             (Approximate SI in solution 1, 2 at 298 K,   1 atm)
-         Halite      1.600e-05      1.490e-05      1.710e-05   NaCl                       (-10.32, -9.71)
+         Halite      1.600e-05      1.490e-05      1.710e-05   NaCl                       (-10.32, -9.72)
          Gypsum      1.500e-05      1.413e-05      1.588e-05   CaSO4:2H2O                 ( -4.62, -3.77)
       Kaolinite     -3.392e-05     -5.587e-05     -1.224e-05   Al2Si2O5(OH)4              (      ,      )
 Ca-Montmorillon     -8.090e-05     -1.100e-04     -5.154e-05   Ca0.165Al2.33Si3.67O10(OH  (      ,      )
-         CO2(g)      3.006e-04      2.363e-04      3.656e-04   CO2                        ( -1.87, -2.05)
-        Calcite      1.161e-04      1.007e-04      1.309e-04   CaCO3                      ( -3.30, -1.78)
+         CO2(g)      3.009e-04      2.365e-04      3.659e-04   CO2                        ( -1.87, -2.05)
+        Calcite      1.161e-04      1.007e-04      1.309e-04   CaCO3                      ( -3.30, -1.77)
         Biotite      1.370e-05      1.317e-05      1.370e-05   KMg3AlSi3O10(OH)2          (      ,      )
     Plagioclase      1.758e-04      1.582e-04      1.935e-04   Na0.62Ca0.38Al1.38Si2.62O  (      ,      )
 
@@ -390,7 +395,7 @@ Solution 1:
              Al      0.000e+00  +   0.000e+00  =   0.000e+00
      Alkalinity      3.280e-04  +   8.200e-06  =   3.362e-04
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
-           C(4)      7.825e-04  +   0.000e+00  =   7.825e-04
+           C(4)      7.828e-04  +   0.000e+00  =   7.828e-04
              Ca      7.800e-05  +  -2.550e-06  =   7.545e-05
              Cl      1.400e-05  +   0.000e+00  =   1.400e-05
            H(0)      0.000e+00  +   0.000e+00  =   0.000e+00
@@ -409,7 +414,7 @@ Solution 2:
              Al      0.000e+00  +   0.000e+00  =   0.000e+00
      Alkalinity      8.951e-04  +  -1.480e-05  =   8.803e-04
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
-           C(4)      1.199e-03  +   0.000e+00  =   1.199e-03
+           C(4)      1.200e-03  +   0.000e+00  =   1.200e-03
              Ca      2.600e-04  +   0.000e+00  =   2.600e-04
              Cl      3.000e-05  +   0.000e+00  =   3.000e-05
            H(0)      0.000e+00  +   0.000e+00  =   0.000e+00
@@ -426,11 +431,11 @@ Solution fractions:                   Minimum        Maximum
    Solution   2      1.000e+00      1.000e+00      1.000e+00
 
 Phase mole transfers:                 Minimum        Maximum   Formula             (Approximate SI in solution 1, 2 at 298 K,   1 atm)
-         Halite      1.600e-05      1.490e-05      1.710e-05   NaCl                       (-10.32, -9.71)
+         Halite      1.600e-05      1.490e-05      1.710e-05   NaCl                       (-10.32, -9.72)
          Gypsum      1.500e-05      1.413e-05      1.588e-05   CaSO4:2H2O                 ( -4.62, -3.77)
       Kaolinite     -1.282e-04     -1.403e-04     -1.159e-04   Al2Si2O5(OH)4              (      ,      )
-         CO2(g)      3.140e-04      2.490e-04      3.795e-04   CO2                        ( -1.87, -2.05)
-        Calcite      1.028e-04      8.680e-05      1.182e-04   CaCO3                      ( -3.30, -1.78)
+         CO2(g)      3.143e-04      2.493e-04      3.798e-04   CO2                        ( -1.87, -2.05)
+        Calcite      1.028e-04      8.680e-05      1.182e-04   CaCO3                      ( -3.30, -1.77)
      Chalcedony     -1.084e-04     -1.473e-04     -6.906e-05   SiO2                       ( -0.01,  0.16)
         Biotite      1.370e-05      1.317e-05      1.370e-05   KMg3AlSi3O10(OH)2          (      ,      )
     Plagioclase      1.758e-04      1.582e-04      1.935e-04   Na0.62Ca0.38Al1.38Si2.62O  (      ,      )
diff --git a/phreeqc3-examples/ex17.out b/phreeqc3-examples/ex17.out
index 7665baae..261b7534 100644
--- a/phreeqc3-examples/ex17.out
+++ b/phreeqc3-examples/ex17.out
@@ -14,6 +14,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	END
 ------------------------------------
 Reading input data for simulation 1.
@@ -90,10 +91,10 @@ Initial solution 1.	Black Sea water
 
                                        pH  =   8.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 30482
-                          Density (g/cm³)  =   1.01090
-                               Volume (L)  =   1.00790
-                        Viscosity (mPa s)  =   0.92638
+      Specific Conductance (µS/cm,  25°C)  = 29777
+                          Density (g/cm³)  =   1.01091
+                               Volume (L)  =   1.00789
+                        Viscosity (mPa s)  =   0.92658
                         Activity of water  =   0.990
                  Ionic strength (mol/kgw)  =   3.751e-01
                        Mass of water (kg)  =   1.000e+00
@@ -138,8 +139,8 @@ Mg            2.807e-02
 Na            2.544e-01
    Na+             2.544e-01   1.837e-01    -0.595    -0.736    -0.141     -0.74
 S(6)          1.527e-02
-   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     18.12
-   HSO4-           2.901e-09   1.985e-09    -8.537    -8.702    -0.165     40.79
+   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     17.45
+   HSO4-           2.961e-09   2.026e-09    -8.529    -8.693    -0.165     40.79
 
 ------------------------------Saturation indices-------------------------------
 
@@ -212,14 +213,14 @@ Initial solution 2.	Composition during halite precipitation
 
                                        pH  =   5.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 189938
-                          Density (g/cm³)  =   1.27454
-                               Volume (L)  =   1.12971
-                        Viscosity (mPa s)  =   3.68619
+      Specific Conductance (µS/cm,  25°C)  = 150248
+                          Density (g/cm³)  =   1.27237
+                               Volume (L)  =   1.13163
+                        Viscosity (mPa s)  =   3.75438
                         Activity of water  =   0.678
                  Ionic strength (mol/kgw)  =   1.111e+01
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   7.522e-06
+                 Total alkalinity (eq/kg)  =   7.463e-06
                        Total CO2 (mol/kg)  =   6.950e-06
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   4.629e-02
@@ -258,8 +259,8 @@ Mg            2.354e+00
 Na            2.720e+00
    Na+             2.720e+00   8.832e+00     0.435     0.946     0.511      2.22
 S(6)          8.986e-01
-   SO4-2           8.986e-01   2.396e-03    -0.046    -2.621    -2.574     28.39
-   HSO4-           2.838e-06   2.282e-06    -5.547    -5.642    -0.095     42.44
+   SO4-2           8.986e-01   2.396e-03    -0.046    -2.621    -2.574     30.53
+   HSO4-           2.897e-06   2.329e-06    -5.538    -5.633    -0.095     42.44
 
 ------------------------------Saturation indices-------------------------------
 
@@ -324,7 +325,7 @@ Solution 2: Composition during halite precipitation
 
                          Input          Delta    Input+Delta
              pH      5.000e+00  +   0.000e+00  =   5.000e+00
-     Alkalinity      7.522e-06  +  -1.880e-07  =   7.334e-06
+     Alkalinity      7.463e-06  +  -1.866e-07  =   7.277e-06
              Br      3.785e-02  +   9.440e-04  =   3.880e-02
            C(4)      6.950e-06  +   1.737e-07  =   7.123e-06
              Ca      0.000e+00  +   0.000e+00  =   0.000e+00
diff --git a/phreeqc3-examples/ex17b.out b/phreeqc3-examples/ex17b.out
index eddc464d..1d5ea13f 100644
--- a/phreeqc3-examples/ex17b.out
+++ b/phreeqc3-examples/ex17b.out
@@ -14,6 +14,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	END
 ------------------------------------
 Reading input data for simulation 1.
@@ -92,10 +93,10 @@ Initial solution 1.	Black Sea water
 
                                        pH  =   8.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 30482
-                          Density (g/cm³)  =   1.01090
-                               Volume (L)  =   1.00790
-                        Viscosity (mPa s)  =   0.92638
+      Specific Conductance (µS/cm,  25°C)  = 29777
+                          Density (g/cm³)  =   1.01091
+                               Volume (L)  =   1.00789
+                        Viscosity (mPa s)  =   0.92658
                         Activity of water  =   0.990
                  Ionic strength (mol/kgw)  =   3.751e-01
                        Mass of water (kg)  =   1.000e+00
@@ -140,8 +141,8 @@ Mg            2.807e-02
 Na            2.544e-01
    Na+             2.544e-01   1.837e-01    -0.595    -0.736    -0.141     -0.74
 S(6)          1.527e-02
-   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     18.12
-   HSO4-           2.901e-09   1.985e-09    -8.537    -8.702    -0.165     40.79
+   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     17.45
+   HSO4-           2.961e-09   2.026e-09    -8.529    -8.693    -0.165     40.79
 
 ------------------------------Saturation indices-------------------------------
 
@@ -255,10 +256,10 @@ Polyhalite       -9.73   -23.47    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   8.000      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 30482
-                          Density (g/cm³)  =   1.01090
-                               Volume (L)  =   1.00790
-                        Viscosity (mPa s)  =   0.92638
+      Specific Conductance (µS/cm,  25°C)  = 29777
+                          Density (g/cm³)  =   1.01091
+                               Volume (L)  =   1.00789
+                        Viscosity (mPa s)  =   0.92658
                         Activity of water  =   0.990
                  Ionic strength (mol/kgw)  =   3.751e-01
                        Mass of water (kg)  =   1.000e+00
@@ -303,8 +304,8 @@ Mg            2.807e-02
 Na            2.544e-01
    Na+             2.544e-01   1.837e-01    -0.595    -0.736    -0.141     -0.74
 S(6)          1.527e-02
-   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     18.12
-   HSO4-           2.901e-09   1.985e-09    -8.537    -8.702    -0.165     40.79
+   SO4-2           1.527e-02   2.084e-03    -1.816    -2.681    -0.865     17.45
+   HSO4-           2.961e-09   2.026e-09    -8.529    -8.693    -0.165     40.79
 
 ------------------------------Saturation indices-------------------------------
 
@@ -414,10 +415,10 @@ Polyhalite       -7.26   -21.00    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.848      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 73783
-                          Density (g/cm³)  =   1.03526
+      Specific Conductance (µS/cm,  25°C)  = 73063
+                          Density (g/cm³)  =   1.03527
                                Volume (L)  =   0.35767
-                        Viscosity (mPa s)  =   0.99317
+                        Viscosity (mPa s)  =   0.99372
                         Activity of water  =   0.972
                  Ionic strength (mol/kgw)  =   1.065e+00
                        Mass of water (kg)  =   3.514e-01
@@ -445,7 +446,7 @@ Polyhalite       -7.26   -21.00    -13.74    0.000e+00           0   0.000e+00
 Br            1.252e-03
    Br-             1.252e-03   7.919e-04    -2.902    -3.101    -0.199     25.39
 C(4)          6.589e-04
-   HCO3-           6.116e-04   3.357e-04    -3.214    -3.474    -0.260     27.27
+   HCO3-           6.116e-04   3.357e-04    -3.214    -3.474    -0.260     27.28
    CO3-2           1.917e-05   1.083e-06    -4.717    -5.965    -1.248      0.59
    MgCO3           1.884e-05   1.884e-05    -4.725    -4.725     0.000    -17.09
    CO2             9.195e-06   1.076e-05    -5.036    -4.968     0.068     34.43
@@ -462,8 +463,8 @@ Mg            7.987e-02
 Na            7.238e-01
    Na+             7.238e-01   5.140e-01    -0.140    -0.289    -0.149     -0.27
 S(6)          4.345e-02
-   SO4-2           4.345e-02   2.642e-03    -1.362    -2.578    -1.216     19.70
-   HSO4-           5.845e-09   3.572e-09    -8.233    -8.447    -0.214     41.13
+   SO4-2           4.345e-02   2.642e-03    -1.362    -2.578    -1.216     19.50
+   HSO4-           5.966e-09   3.646e-09    -8.224    -8.438    -0.214     41.13
 
 ------------------------------Saturation indices-------------------------------
 
@@ -573,10 +574,10 @@ Polyhalite       -6.70   -20.44    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.793      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 88277
-                          Density (g/cm³)  =   1.04463
+      Specific Conductance (µS/cm,  25°C)  = 88035
+                          Density (g/cm³)  =   1.04464
                                Volume (L)  =   0.28547
-                        Viscosity (mPa s)  =   1.02147
+                        Viscosity (mPa s)  =   1.02215
                         Activity of water  =   0.965
                  Ionic strength (mol/kgw)  =   1.340e+00
                        Mass of water (kg)  =   2.794e-01
@@ -621,8 +622,8 @@ Mg            1.005e-01
 Na            9.105e-01
    Na+             9.105e-01   6.552e-01    -0.041    -0.184    -0.143     -0.14
 S(6)          5.466e-02
-   SO4-2           5.466e-02   2.683e-03    -1.262    -2.571    -1.309     20.17
-   HSO4-           6.924e-09   4.119e-09    -8.160    -8.385    -0.226     41.22
+   SO4-2           5.466e-02   2.683e-03    -1.262    -2.571    -1.309     20.11
+   HSO4-           7.066e-09   4.204e-09    -8.151    -8.376    -0.226     41.22
 
 ------------------------------Saturation indices-------------------------------
 
@@ -732,10 +733,10 @@ Polyhalite       -5.93   -19.68    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.710      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 110217
-                          Density (g/cm³)  =   1.06017
+      Specific Conductance (µS/cm,  25°C)  = 111017
+                          Density (g/cm³)  =   1.06016
                                Volume (L)  =   0.21331
-                        Viscosity (mPa s)  =   1.07209
+                        Viscosity (mPa s)  =   1.07296
                         Activity of water  =   0.952
                  Ionic strength (mol/kgw)  =   1.805e+00
                        Mass of water (kg)  =   2.073e-01
@@ -765,7 +766,7 @@ Br            2.123e-03
 C(4)          5.530e-04
    HCO3-           5.064e-04   2.392e-04    -3.295    -3.621    -0.326     28.42
    MgCO3           2.004e-05   2.004e-05    -4.698    -4.698     0.000    -17.09
-   CO3-2           1.833e-05   5.618e-07    -4.737    -6.250    -1.514      2.21
+   CO3-2           1.833e-05   5.618e-07    -4.737    -6.250    -1.514      2.22
    CO2             8.248e-06   1.076e-05    -5.084    -4.968     0.115     34.43
 Ca            2.664e-02
    Ca+2            2.664e-02   6.991e-03    -1.575    -2.155    -0.581    -16.03
@@ -780,8 +781,8 @@ Mg            1.354e-01
 Na            1.227e+00
    Na+             1.227e+00   9.140e-01     0.089    -0.039    -0.128      0.06
 S(6)          7.367e-02
-   SO4-2           7.367e-02   2.673e-03    -1.133    -2.573    -1.440     20.87
-   HSO4-           8.654e-09   4.964e-09    -8.063    -8.304    -0.241     41.36
+   SO4-2           7.367e-02   2.673e-03    -1.133    -2.573    -1.440     21.01
+   HSO4-           8.832e-09   5.066e-09    -8.054    -8.295    -0.241     41.36
 
 ------------------------------Saturation indices-------------------------------
 
@@ -891,10 +892,10 @@ Polyhalite       -4.92   -18.67    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.595      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 147344
-                          Density (g/cm³)  =   1.09024
-                               Volume (L)  =   0.14119
-                        Viscosity (mPa s)  =   1.18521
+      Specific Conductance (µS/cm,  25°C)  = 149892
+                          Density (g/cm³)  =   1.09018
+                               Volume (L)  =   0.14120
+                        Viscosity (mPa s)  =   1.18635
                         Activity of water  =   0.923
                  Ionic strength (mol/kgw)  =   2.742e+00
                        Mass of water (kg)  =   1.352e-01
@@ -924,7 +925,7 @@ Br            3.255e-03
 C(4)          4.882e-04
    HCO3-           4.370e-04   1.778e-04    -3.360    -3.750    -0.390     29.65
    MgCO3           2.558e-05   2.558e-05    -4.592    -4.592     0.000    -17.09
-   CO3-2           1.848e-05   3.201e-07    -4.733    -6.495    -1.761      3.92
+   CO3-2           1.848e-05   3.201e-07    -4.733    -6.495    -1.761      3.93
    CO2             7.188e-06   1.076e-05    -5.143    -4.968     0.175     34.43
 Ca            3.443e-02
    Ca+2            3.443e-02   1.227e-02    -1.463    -1.911    -0.448    -15.60
@@ -939,8 +940,8 @@ Mg            2.076e-01
 Na            1.881e+00
    Na+             1.881e+00   1.553e+00     0.274     0.191    -0.083      0.40
 S(6)          1.067e-01
-   SO4-2           1.067e-01   2.402e-03    -0.972    -2.619    -1.648     22.05
-   HSO4-           1.074e-08   5.820e-09    -7.969    -8.235    -0.266     41.57
+   SO4-2           1.067e-01   2.402e-03    -0.972    -2.619    -1.648     22.52
+   HSO4-           1.096e-08   5.940e-09    -7.960    -8.226    -0.266     41.57
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1050,10 +1051,10 @@ Polyhalite       -4.70   -18.44    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.573      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 161102
-                          Density (g/cm³)  =   1.10245
-                               Volume (L)  =   0.12316
-                        Viscosity (mPa s)  =   1.23782
+      Specific Conductance (µS/cm,  25°C)  = 163822
+                          Density (g/cm³)  =   1.10237
+                               Volume (L)  =   0.12317
+                        Viscosity (mPa s)  =   1.23905
                         Activity of water  =   0.909
                  Ionic strength (mol/kgw)  =   3.136e+00
                        Mass of water (kg)  =   1.172e-01
@@ -1098,8 +1099,8 @@ Mg            2.396e-01
 Na            2.171e+00
    Na+             2.171e+00   1.894e+00     0.337     0.277    -0.059      0.52
 S(6)          1.162e-01
-   SO4-2           1.162e-01   2.210e-03    -0.935    -2.656    -1.721     22.49
-   HSO4-           1.060e-08   5.624e-09    -7.975    -8.250    -0.275     41.65
+   SO4-2           1.162e-01   2.210e-03    -0.935    -2.656    -1.721     23.07
+   HSO4-           1.081e-08   5.739e-09    -7.966    -8.241    -0.275     41.65
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1209,10 +1210,10 @@ Polyhalite       -4.40   -18.15    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.546      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 177871
-                          Density (g/cm³)  =   1.11861
-                               Volume (L)  =   0.10514
-                        Viscosity (mPa s)  =   1.31475
+      Specific Conductance (µS/cm,  25°C)  = 180062
+                          Density (g/cm³)  =   1.11850
+                               Volume (L)  =   0.10515
+                        Viscosity (mPa s)  =   1.31607
                         Activity of water  =   0.890
                  Ionic strength (mol/kgw)  =   3.673e+00
                        Mass of water (kg)  =   9.912e-02
@@ -1240,9 +1241,9 @@ Polyhalite       -4.40   -18.15    -13.74    0.000e+00           0   0.000e+00
 Br            4.441e-03
    Br-             4.441e-03   3.024e-03    -2.353    -2.519    -0.167     25.96
 C(4)          5.058e-04
-   HCO3-           4.339e-04   1.533e-04    -3.363    -3.815    -0.452     30.72
+   HCO3-           4.339e-04   1.533e-04    -3.363    -3.815    -0.452     30.73
    MgCO3           4.351e-05   4.351e-05    -4.361    -4.361     0.000    -17.09
-   CO3-2           2.218e-05   2.465e-07    -4.654    -6.608    -1.954      5.41
+   CO3-2           2.218e-05   2.465e-07    -4.654    -6.608    -1.954      5.42
    CO2             6.266e-06   1.076e-05    -5.203    -4.968     0.235     34.43
 Ca            2.998e-02
    Ca+2            2.998e-02   1.593e-02    -1.523    -1.798    -0.275    -15.20
@@ -1257,8 +1258,8 @@ Mg            2.832e-01
 Na            2.566e+00
    Na+             2.566e+00   2.428e+00     0.409     0.385    -0.024      0.68
 S(6)          1.287e-01
-   SO4-2           1.287e-01   1.987e-03    -0.891    -2.702    -1.811     23.04
-   HSO4-           1.044e-08   5.390e-09    -7.981    -8.268    -0.287     41.74
+   SO4-2           1.287e-01   1.987e-03    -0.891    -2.702    -1.811     23.77
+   HSO4-           1.065e-08   5.501e-09    -7.973    -8.260    -0.287     41.74
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1368,10 +1369,10 @@ Polyhalite       -4.00   -17.74    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.508      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 198669
-                          Density (g/cm³)  =   1.14104
-                               Volume (L)  =   0.08715
-                        Viscosity (mPa s)  =   1.43745
+      Specific Conductance (µS/cm,  25°C)  = 198454
+                          Density (g/cm³)  =   1.14090
+                               Volume (L)  =   0.08716
+                        Viscosity (mPa s)  =   1.43886
                         Activity of water  =   0.861
                  Ionic strength (mol/kgw)  =   4.446e+00
                        Mass of water (kg)  =   8.107e-02
@@ -1416,8 +1417,8 @@ Mg            3.463e-01
 Na            3.138e+00
    Na+             3.138e+00   3.377e+00     0.497     0.529     0.032      0.88
 S(6)          1.463e-01
-   SO4-2           1.463e-01   1.730e-03    -0.835    -2.762    -1.927     23.76
-   HSO4-           1.028e-08   5.113e-09    -7.988    -8.291    -0.303     41.85
+   SO4-2           1.463e-01   1.730e-03    -0.835    -2.762    -1.927     24.69
+   HSO4-           1.049e-08   5.218e-09    -7.979    -8.282    -0.303     41.85
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1527,10 +1528,10 @@ Polyhalite       -3.38   -17.12    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.454      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 224762
-                          Density (g/cm³)  =   1.17441
-                               Volume (L)  =   0.06920
-                        Viscosity (mPa s)  =   1.66148
+      Specific Conductance (µS/cm,  25°C)  = 217024
+                          Density (g/cm³)  =   1.17419
+                               Volume (L)  =   0.06922
+                        Viscosity (mPa s)  =   1.66307
                         Activity of water  =   0.811
                  Ionic strength (mol/kgw)  =   5.663e+00
                        Mass of water (kg)  =   6.302e-02
@@ -1575,8 +1576,8 @@ Mg            4.454e-01
 Na            4.036e+00
    Na+             4.036e+00   5.442e+00     0.606     0.736     0.130      1.18
 S(6)          1.742e-01
-   SO4-2           1.742e-01   1.429e-03    -0.759    -2.845    -2.086     24.79
-   HSO4-           1.023e-08   4.788e-09    -7.990    -8.320    -0.330     42.00
+   SO4-2           1.742e-01   1.429e-03    -0.759    -2.845    -2.086     25.99
+   HSO4-           1.044e-08   4.886e-09    -7.981    -8.311    -0.330     42.00
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1686,10 +1687,10 @@ Polyhalite       -2.55   -16.29    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.359      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 249347
-                          Density (g/cm³)  =   1.21449
-                               Volume (L)  =   0.05087
-                        Viscosity (mPa s)  =   2.02761
+      Specific Conductance (µS/cm,  25°C)  = 226248
+                          Density (g/cm³)  =   1.21418
+                               Volume (L)  =   0.05088
+                        Viscosity (mPa s)  =   2.03087
                         Activity of water  =   0.739
                  Ionic strength (mol/kgw)  =   7.301e+00
                        Mass of water (kg)  =   4.504e-02
@@ -1734,8 +1735,8 @@ Mg            6.232e-01
 Na            5.118e+00
    Na+             5.118e+00   9.795e+00     0.709     0.991     0.282      1.53
 S(6)          1.916e-01
-   SO4-2           1.916e-01   1.013e-03    -0.718    -2.994    -2.277     26.00
-   HSO4-           9.651e-09   4.224e-09    -8.015    -8.374    -0.359     42.17
+   SO4-2           1.916e-01   1.013e-03    -0.718    -2.994    -2.277     27.52
+   HSO4-           9.849e-09   4.310e-09    -8.007    -8.365    -0.359     42.17
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1845,10 +1846,10 @@ Polyhalite       -1.68   -15.43    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.364      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 236925
-                          Density (g/cm³)  =   1.22037
-                               Volume (L)  =   0.03049
-                        Viscosity (mPa s)  =   2.19147
+      Specific Conductance (µS/cm,  25°C)  = 214242
+                          Density (g/cm³)  =   1.21997
+                               Volume (L)  =   0.03050
+                        Viscosity (mPa s)  =   2.19817
                         Activity of water  =   0.729
                  Ionic strength (mol/kgw)  =   7.901e+00
                        Mass of water (kg)  =   2.709e-02
@@ -1893,8 +1894,8 @@ Mg            1.036e+00
 Na            4.391e+00
    Na+             4.391e+00   9.485e+00     0.643     0.977     0.334      1.64
 S(6)          2.312e-01
-   SO4-2           2.312e-01   1.052e-03    -0.636    -2.978    -2.342     26.41
-   HSO4-           8.284e-09   4.332e-09    -8.082    -8.363    -0.281     42.22
+   SO4-2           2.312e-01   1.052e-03    -0.636    -2.978    -2.342     28.04
+   HSO4-           8.454e-09   4.421e-09    -8.073    -8.354    -0.281     42.22
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2004,10 +2005,10 @@ Polyhalite       -1.34   -15.08    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.367      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 231007
-                          Density (g/cm³)  =   1.22383
-                               Volume (L)  =   0.02540
-                        Viscosity (mPa s)  =   2.29181
+      Specific Conductance (µS/cm,  25°C)  = 207916
+                          Density (g/cm³)  =   1.22336
+                               Volume (L)  =   0.02541
+                        Viscosity (mPa s)  =   2.30055
                         Activity of water  =   0.724
                  Ionic strength (mol/kgw)  =   8.219e+00
                        Mass of water (kg)  =   2.260e-02
@@ -2029,7 +2030,7 @@ Polyhalite       -1.34   -15.08    -13.74    0.000e+00           0   0.000e+00
                                 MacInnes       Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.396e-06   1.704e-07    -5.855    -6.768    -0.913      7.52
+   OH-             1.396e-06   1.704e-07    -5.855    -6.768    -0.913      7.53
    H+              3.969e-09   4.297e-08    -8.401    -7.367     1.035      0.00
    H2O             5.551e+01   7.235e-01     1.744    -0.141     0.000     18.07
 Br            1.947e-02
@@ -2052,8 +2053,8 @@ Mg            1.242e+00
 Na            4.043e+00
    Na+             4.043e+00   9.316e+00     0.607     0.969     0.362      1.71
 S(6)          2.554e-01
-   SO4-2           2.554e-01   1.073e-03    -0.593    -2.969    -2.376     26.62
-   HSO4-           7.711e-09   4.394e-09    -8.113    -8.357    -0.244     42.24
+   SO4-2           2.554e-01   1.073e-03    -0.593    -2.969    -2.376     28.31
+   HSO4-           7.870e-09   4.484e-09    -8.104    -8.348    -0.244     42.24
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2139,7 +2140,7 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   1.326e-06
 Calcite           0.00    -8.41     -8.41    3.446e-04   3.382e-04  -6.361e-06
 Carnallite       -2.67     1.76      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.81    -2.66     -1.85    0.000e+00           0   0.000e+00
-Glauberite        0.00    -5.35     -5.35    4.231e-03   4.522e-03   2.908e-04
+Glauberite       -0.00    -5.35     -5.35    4.231e-03   4.522e-03   2.908e-04
 Gypsum            0.00    -4.60     -4.60    1.036e-03   8.218e-04  -2.145e-04
 Halite            0.00     1.58      1.58    1.545e-01   1.812e-01   2.664e-02
 Hexahydrite      -0.95    -2.52     -1.57    0.000e+00           0   0.000e+00
@@ -2163,10 +2164,10 @@ Polyhalite       -0.87   -14.62    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.371      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 222459
-                          Density (g/cm³)  =   1.22975
-                               Volume (L)  =   0.02032
-                        Viscosity (mPa s)  =   2.47250
+      Specific Conductance (µS/cm,  25°C)  = 197853
+                          Density (g/cm³)  =   1.22919
+                               Volume (L)  =   0.02033
+                        Viscosity (mPa s)  =   2.48495
                         Activity of water  =   0.714
                  Ionic strength (mol/kgw)  =   8.723e+00
                        Mass of water (kg)  =   1.810e-02
@@ -2211,8 +2212,8 @@ Mg            1.550e+00
 Na            3.544e+00
    Na+             3.544e+00   9.044e+00     0.550     0.956     0.407      1.80
 S(6)          2.985e-01
-   SO4-2           2.985e-01   1.109e-03    -0.525    -2.955    -2.430     26.96
-   HSO4-           6.970e-09   4.496e-09    -8.157    -8.347    -0.190     42.28
+   SO4-2           2.985e-01   1.109e-03    -0.525    -2.955    -2.430     28.72
+   HSO4-           7.113e-09   4.588e-09    -8.148    -8.338    -0.190     42.28
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2233,7 +2234,7 @@ S(6)          2.985e-01
   Epsomite         -0.81     -2.66   -1.85  MgSO4:7H2O
   Gaylussite       -4.86    -14.28   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.82     -6.63   -3.80  NaK3(SO4)2
-  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        3.61    -25.75  -29.37  K2Ca5(SO4)6H2O
   Gypsum            0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.65     -0.15    1.50  H2O
@@ -2322,10 +2323,10 @@ Polyhalite       -0.42   -14.16    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.375      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 213703
-                          Density (g/cm³)  =   1.23728
-                               Volume (L)  =   0.01674
-                        Viscosity (mPa s)  =   2.71674
+      Specific Conductance (µS/cm,  25°C)  = 186206
+                          Density (g/cm³)  =   1.23656
+                               Volume (L)  =   0.01675
+                        Viscosity (mPa s)  =   2.73450
                         Activity of water  =   0.702
                  Ionic strength (mol/kgw)  =   9.307e+00
                        Mass of water (kg)  =   1.493e-02
@@ -2347,7 +2348,7 @@ Polyhalite       -0.42   -14.16    -13.74    0.000e+00           0   0.000e+00
                                 MacInnes       Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             2.254e-06   1.686e-07    -5.647    -6.773    -1.126      8.89
+   OH-             2.254e-06   1.686e-07    -5.647    -6.773    -1.126      8.88
    H+              2.982e-09   4.214e-08    -8.525    -7.375     1.150      0.00
    H2O             5.551e+01   7.019e-01     1.744    -0.154     0.000     18.07
 Br            2.947e-02
@@ -2355,7 +2356,7 @@ Br            2.947e-02
 C(4)          3.330e-03
    MgCO3           2.432e-03   2.432e-03    -2.614    -2.614     0.000    -17.09
    HCO3-           6.924e-04   8.164e-05    -3.160    -4.088    -0.928     35.90
-   CO3-2           2.028e-04   8.870e-08    -3.693    -7.052    -3.359     12.52
+   CO3-2           2.028e-04   8.870e-08    -3.693    -7.052    -3.359     12.51
    CO2             3.191e-06   1.076e-05    -5.496    -4.968     0.528     34.43
 Ca            7.467e-03
    Ca+2            7.467e-03   4.427e-02    -2.127    -1.354     0.773    -13.02
@@ -2370,8 +2371,8 @@ Mg            1.880e+00
 Na            3.045e+00
    Na+             3.045e+00   8.730e+00     0.484     0.941     0.457      1.91
 S(6)          3.561e-01
-   SO4-2           3.561e-01   1.150e-03    -0.448    -2.939    -2.491     27.32
-   HSO4-           6.314e-09   4.618e-09    -8.200    -8.336    -0.136     42.32
+   SO4-2           3.561e-01   1.150e-03    -0.448    -2.939    -2.491     29.18
+   HSO4-           6.444e-09   4.713e-09    -8.191    -8.327    -0.136     42.32
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2457,7 +2458,7 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   4.803e-07
 Calcite           0.00    -8.41     -8.41    3.284e-04   3.238e-04  -4.588e-06
 Carnallite       -2.26     2.17      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.60    -2.45     -1.85    0.000e+00           0   0.000e+00
-Glauberite        0.00    -5.35     -5.35    4.552e-03   4.508e-03  -4.353e-05
+Glauberite       -0.00    -5.35     -5.35    4.552e-03   4.508e-03  -4.353e-05
 Gypsum            0.00    -4.60     -4.60    8.495e-04   9.107e-04   6.112e-05
 Halite            0.00     1.58      1.58    1.998e-01   2.051e-01   5.274e-03
 Hexahydrite      -0.73    -2.29     -1.57    0.000e+00           0   0.000e+00
@@ -2481,10 +2482,10 @@ Polyhalite       -0.26   -14.00    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.377      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 210567
-                          Density (g/cm³)  =   1.24041
-                               Volume (L)  =   0.01573
-                        Viscosity (mPa s)  =   2.82291
+      Specific Conductance (µS/cm,  25°C)  = 181678
+                          Density (g/cm³)  =   1.23961
+                               Volume (L)  =   0.01574
+                        Viscosity (mPa s)  =   2.84317
                         Activity of water  =   0.697
                  Ionic strength (mol/kgw)  =   9.534e+00
                        Mass of water (kg)  =   1.403e-02
@@ -2493,8 +2494,8 @@ Polyhalite       -0.26   -14.00    -13.74    0.000e+00           0   0.000e+00
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.359e-03
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.18
-                               Iterations  =  32
-                         Gamma iterations  =   6
+                               Iterations  =   9
+                         Gamma iterations  =   3
                       Osmotic coefficient  =   1.68139
                          Density of water  =   0.99704
                                   Total H  = 1.557491e+00
@@ -2529,8 +2530,8 @@ Mg            2.001e+00
 Na            2.871e+00
    Na+             2.871e+00   8.608e+00     0.458     0.935     0.477      1.95
 S(6)          3.809e-01
-   SO4-2           3.809e-01   1.167e-03    -0.419    -2.933    -2.514     27.46
-   HSO4-           6.104e-09   4.667e-09    -8.214    -8.331    -0.117     42.34
+   SO4-2           3.809e-01   1.167e-03    -0.419    -2.933    -2.514     29.36
+   HSO4-           6.229e-09   4.763e-09    -8.206    -8.322    -0.117     42.34
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2551,7 +2552,7 @@ S(6)          3.809e-01
   Epsomite         -0.60     -2.45   -1.85  MgSO4:7H2O
   Gaylussite       -4.95    -14.37   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.37     -6.17   -3.80  NaK3(SO4)2
-  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        4.02    -25.35  -29.37  K2Ca5(SO4)6H2O
   Gypsum            0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.66     -0.16    1.50  H2O
@@ -2613,7 +2614,7 @@ Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 Anhydrite        -0.03    -4.28     -4.25    0.000e+00           0   0.000e+00
 Bischofite       -2.59     2.00      4.59    0.000e+00           0   0.000e+00
 CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   5.638e-07
-Calcite           0.00    -8.41     -8.41    3.238e-04   3.178e-04  -6.007e-06
+Calcite          -0.00    -8.41     -8.41    3.238e-04   3.178e-04  -6.007e-06
 Carnallite       -2.14     2.28      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.54    -2.39     -1.85    0.000e+00           0   0.000e+00
 Glauberite        0.00    -5.35     -5.35    4.508e-03   4.428e-03  -8.034e-05
@@ -2640,10 +2641,10 @@ Polyhalite       -0.08   -13.82    -13.74    0.000e+00           0   0.000e+00
 
                                        pH  =   7.379      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 207036
-                          Density (g/cm³)  =   1.24421
-                               Volume (L)  =   0.01471
-                        Viscosity (mPa s)  =   2.95651
+      Specific Conductance (µS/cm,  25°C)  = 176353
+                          Density (g/cm³)  =   1.24332
+                               Volume (L)  =   0.01472
+                        Viscosity (mPa s)  =   2.98015
                         Activity of water  =   0.691
                  Ionic strength (mol/kgw)  =   9.803e+00
                        Mass of water (kg)  =   1.313e-02
@@ -2686,10 +2687,10 @@ Mg            2.139e+00
    MgCO3           3.427e-03   3.427e-03    -2.465    -2.465     0.000    -17.09
    MgOH+           1.246e-03   1.170e-03    -2.905    -2.932    -0.027     (0)  
 Na            2.680e+00
-   Na+             2.680e+00   8.467e+00     0.428     0.928     0.500      1.99
+   Na+             2.680e+00   8.467e+00     0.428     0.928     0.500      2.00
 S(6)          4.118e-01
-   SO4-2           4.118e-01   1.186e-03    -0.385    -2.926    -2.541     27.62
-   HSO4-           5.883e-09   4.725e-09    -8.230    -8.326    -0.095     42.36
+   SO4-2           4.118e-01   1.186e-03    -0.385    -2.926    -2.541     29.56
+   HSO4-           6.004e-09   4.822e-09    -8.222    -8.317    -0.095     42.36
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2703,7 +2704,7 @@ S(6)          4.118e-01
   Bloedite         -0.63     -2.98   -2.35  Na2Mg(SO4)2:4H2O
   Brucite          -1.01    -11.89  -10.88  Mg(OH)2
   Burkeite         -6.57     -7.34   -0.77  Na6CO3(SO4)2
-  Calcite           0.00     -8.41   -8.41  CaCO3
+  Calcite          -0.00     -8.41   -8.41  CaCO3
   Carnallite       -2.14      2.28    4.42  KMgCl3:6H2O
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Dolomite          3.29    -13.80  -17.09  CaMg(CO3)2
@@ -2799,10 +2800,10 @@ Polyhalite        0.00   -13.74    -13.74    0.000e+00   2.746e-04   2.746e-04
 
                                        pH  =   7.379      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 202501
-                          Density (g/cm³)  =   1.24735
-                               Volume (L)  =   0.01368
-                        Viscosity (mPa s)  =   3.09874
+      Specific Conductance (µS/cm,  25°C)  = 170258
+                          Density (g/cm³)  =   1.24638
+                               Volume (L)  =   0.01369
+                        Viscosity (mPa s)  =   3.12540
                         Activity of water  =   0.686
                  Ionic strength (mol/kgw)  =   1.005e+01
                        Mass of water (kg)  =   1.221e-02
@@ -2811,8 +2812,8 @@ Polyhalite        0.00   -13.74    -13.74    0.000e+00   2.746e-04   2.746e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.359e-03
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.32
-                               Iterations  =  23
-                         Gamma iterations  =   5
+                               Iterations  =   9
+                         Gamma iterations  =   3
                       Osmotic coefficient  =   1.75312
                          Density of water  =   0.99704
                                   Total H  = 1.355889e+00
@@ -2847,8 +2848,8 @@ Mg            2.276e+00
 Na            2.509e+00
    Na+             2.509e+00   8.367e+00     0.399     0.923     0.523      2.04
 S(6)          4.419e-01
-   SO4-2           4.419e-01   1.196e-03    -0.355    -2.922    -2.568     27.77
-   HSO4-           5.641e-09   4.763e-09    -8.249    -8.322    -0.074     42.37
+   SO4-2           4.419e-01   1.196e-03    -0.355    -2.922    -2.568     29.75
+   HSO4-           5.757e-09   4.861e-09    -8.240    -8.313    -0.074     42.37
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2935,7 +2936,7 @@ Calcite           0.00    -8.41     -8.41    3.121e-04   3.058e-04  -6.308e-06
 Carnallite       -2.05     2.38      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.42    -2.27     -1.85    0.000e+00           0   0.000e+00
 Glauberite       -0.00    -5.35     -5.35    3.869e-03   3.038e-03  -8.316e-04
-Gypsum            0.00    -4.60     -4.60    1.036e-03   1.033e-03  -3.627e-06
+Gypsum           -0.00    -4.60     -4.60    1.036e-03   1.033e-03  -3.627e-06
 Halite            0.00     1.58      1.58    2.160e-01   2.218e-01   5.863e-03
 Hexahydrite      -0.54    -2.10     -1.57    0.000e+00           0   0.000e+00
 Kieserite        -1.00    -1.27     -0.27    0.000e+00           0   0.000e+00
@@ -2958,10 +2959,10 @@ Polyhalite        0.00   -13.74    -13.74    2.746e-04   7.008e-04   4.262e-04
 
                                        pH  =   7.378      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 196990
-                          Density (g/cm³)  =   1.25038
-                               Volume (L)  =   0.01263
-                        Viscosity (mPa s)  =   3.26247
+      Specific Conductance (µS/cm,  25°C)  = 163252
+                          Density (g/cm³)  =   1.24930
+                               Volume (L)  =   0.01264
+                        Viscosity (mPa s)  =   3.29229
                         Activity of water  =   0.680
                  Ionic strength (mol/kgw)  =   1.029e+01
                        Mass of water (kg)  =   1.130e-02
@@ -3006,8 +3007,8 @@ Mg            2.423e+00
 Na            2.341e+00
    Na+             2.341e+00   8.287e+00     0.369     0.918     0.549      2.08
 S(6)          4.744e-01
-   SO4-2           4.744e-01   1.200e-03    -0.324    -2.921    -2.597     27.91
-   HSO4-           5.377e-09   4.790e-09    -8.269    -8.320    -0.050     42.39
+   SO4-2           4.744e-01   1.200e-03    -0.324    -2.921    -2.597     29.93
+   HSO4-           5.488e-09   4.888e-09    -8.261    -8.311    -0.050     42.39
 
 ------------------------------Saturation indices-------------------------------
 
@@ -3030,7 +3031,7 @@ S(6)          4.744e-01
   Glaserite        -2.40     -6.21   -3.80  NaK3(SO4)2
   Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        4.10    -25.27  -29.37  K2Ca5(SO4)6H2O
-  Gypsum            0.00     -4.60   -4.60  CaSO4:2H2O
+  Gypsum           -0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.67     -0.17    1.50  H2O
   Halite            0.00      1.58    1.58  NaCl
   Hexahydrite      -0.54     -2.10   -1.57  MgSO4:6H2O
@@ -3093,7 +3094,7 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   3.369e-07
 Calcite           0.00    -8.41     -8.41    3.058e-04   3.007e-04  -5.076e-06
 Carnallite       -2.03     2.40      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.38    -2.23     -1.85    0.000e+00           0   0.000e+00
-Glauberite       -0.00    -5.35     -5.35    3.038e-03   2.540e-03  -4.976e-04
+Glauberite        0.00    -5.35     -5.35    3.038e-03   2.540e-03  -4.976e-04
 Gypsum            0.00    -4.60     -4.60    1.033e-03   1.058e-03   2.566e-05
 Halite            0.00     1.58      1.58    2.218e-01   2.253e-01   3.499e-03
 Hexahydrite      -0.49    -2.06     -1.57    0.000e+00           0   0.000e+00
@@ -3117,10 +3118,10 @@ Polyhalite        0.00   -13.74    -13.74    7.008e-04   9.425e-04   2.417e-04
 
                                        pH  =   7.377      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 193305
-                          Density (g/cm³)  =   1.25269
-                               Volume (L)  =   0.01200
-                        Viscosity (mPa s)  =   3.38595
+      Specific Conductance (µS/cm,  25°C)  = 158442
+                          Density (g/cm³)  =   1.25155
+                               Volume (L)  =   0.01201
+                        Viscosity (mPa s)  =   3.41850
                         Activity of water  =   0.676
                  Ionic strength (mol/kgw)  =   1.047e+01
                        Mass of water (kg)  =   1.075e-02
@@ -3165,8 +3166,8 @@ Mg            2.524e+00
 Na            2.227e+00
    Na+             2.227e+00   8.227e+00     0.348     0.915     0.567      2.11
 S(6)          4.989e-01
-   SO4-2           4.989e-01   1.203e-03    -0.302    -2.920    -2.618     28.02
-   HSO4-           5.210e-09   4.811e-09    -8.283    -8.318    -0.035     42.40
+   SO4-2           4.989e-01   1.203e-03    -0.302    -2.920    -2.618     30.06
+   HSO4-           5.318e-09   4.910e-09    -8.274    -8.309    -0.035     42.40
 
 ------------------------------Saturation indices-------------------------------
 
@@ -3187,7 +3188,7 @@ S(6)          4.989e-01
   Epsomite         -0.38     -2.23   -1.85  MgSO4:7H2O
   Gaylussite       -5.07    -14.49   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.50     -6.30   -3.80  NaK3(SO4)2
-  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        4.05    -25.31  -29.37  K2Ca5(SO4)6H2O
   Gypsum            0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.67     -0.17    1.50  H2O
@@ -3252,12 +3253,12 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   3.978e-07
 Calcite           0.00    -8.41     -8.41    3.007e-04   2.942e-04  -6.456e-06
 Carnallite       -2.01     2.42      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.34    -2.19     -1.85    0.000e+00           0   0.000e+00
-Glauberite       -0.00    -5.35     -5.35    2.540e-03   2.040e-03  -4.999e-04
+Glauberite        0.00    -5.35     -5.35    2.540e-03   2.040e-03  -4.999e-04
 Gypsum            0.00    -4.60     -4.60    1.058e-03   1.112e-03   5.332e-05
 Halite            0.00     1.58      1.58    2.253e-01   2.288e-01   3.484e-03
 Hexahydrite      -0.45    -2.01     -1.57    0.000e+00           0   0.000e+00
 Kieserite        -0.88    -1.15     -0.27    0.000e+00           0   0.000e+00
-Polyhalite       -0.00   -13.74    -13.74    9.425e-04   1.172e-03   2.296e-04
+Polyhalite        0.00   -13.74    -13.74    9.425e-04   1.172e-03   2.296e-04
 
 -----------------------------Solution composition------------------------------
 
@@ -3276,10 +3277,10 @@ Polyhalite       -0.00   -13.74    -13.74    9.425e-04   1.172e-03   2.296e-04
 
                                        pH  =   7.376      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 189287
-                          Density (g/cm³)  =   1.25552
-                               Volume (L)  =   0.01138
-                        Viscosity (mPa s)  =   3.53535
+      Specific Conductance (µS/cm,  25°C)  = 153077
+                          Density (g/cm³)  =   1.25429
+                               Volume (L)  =   0.01139
+                        Viscosity (mPa s)  =   3.57162
                         Activity of water  =   0.672
                  Ionic strength (mol/kgw)  =   1.068e+01
                        Mass of water (kg)  =   1.020e-02
@@ -3324,8 +3325,8 @@ Mg            2.638e+00
 Na            2.104e+00
    Na+             2.104e+00   8.154e+00     0.323     0.911     0.588      2.15
 S(6)          5.286e-01
-   SO4-2           5.286e-01   1.207e-03    -0.277    -2.918    -2.641     28.14
-   HSO4-           5.038e-09   4.837e-09    -8.298    -8.315    -0.018     42.41
+   SO4-2           5.286e-01   1.207e-03    -0.277    -2.918    -2.641     30.21
+   HSO4-           5.141e-09   4.936e-09    -8.289    -8.307    -0.018     42.41
 
 ------------------------------Saturation indices-------------------------------
 
@@ -3346,7 +3347,7 @@ S(6)          5.286e-01
   Epsomite         -0.34     -2.19   -1.85  MgSO4:7H2O
   Gaylussite       -5.10    -14.52   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.61     -6.42   -3.80  NaK3(SO4)2
-  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        4.01    -25.36  -29.37  K2Ca5(SO4)6H2O
   Gypsum            0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.68     -0.17    1.50  H2O
@@ -3369,7 +3370,7 @@ S(6)          5.286e-01
   Nesquehonite     -0.48     -5.65   -5.17  MgCO3:3H2O
   Pentahydrite     -0.56     -1.84   -1.28  MgSO4:5H2O
   Pirssonite       -4.76    -14.00   -9.23  Na2Ca(CO3)2:2H2O
-  Polyhalite       -0.00    -13.74  -13.74  K2MgCa2(SO4)4:2H2O
+  Polyhalite        0.00    -13.74  -13.74  K2MgCa2(SO4)4:2H2O
   Portlandite      -9.73    -14.92   -5.19  Ca(OH)2
   Schoenite        -1.60     -5.93   -4.33  K2Mg(SO4)2:6H2O
   Sylvite          -0.73      0.17    0.90  KCl
@@ -3411,7 +3412,7 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   4.567e-07
 Calcite           0.00    -8.41     -8.41    2.942e-04   2.856e-04  -8.634e-06
 Carnallite       -1.98     2.44      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.29    -2.14     -1.85    0.000e+00           0   0.000e+00
-Glauberite        0.00    -5.35     -5.35    2.040e-03   1.544e-03  -4.957e-04
+Glauberite       -0.00    -5.35     -5.35    2.040e-03   1.544e-03  -4.957e-04
 Gypsum           -0.00    -4.60     -4.60    1.112e-03           0  -1.112e-03
 Halite            0.00     1.58      1.58    2.288e-01   2.321e-01   3.235e-03
 Hexahydrite      -0.40    -1.96     -1.57    0.000e+00           0   0.000e+00
@@ -3435,10 +3436,10 @@ Polyhalite        0.00   -13.74    -13.74    1.172e-03   1.369e-03   1.969e-04
 
                                        pH  =   7.378      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 185142
-                          Density (g/cm³)  =   1.25892
-                               Volume (L)  =   0.01080
-                        Viscosity (mPa s)  =   3.70710
+      Specific Conductance (µS/cm,  25°C)  = 147417
+                          Density (g/cm³)  =   1.25755
+                               Volume (L)  =   0.01081
+                        Viscosity (mPa s)  =   3.74839
                         Activity of water  =   0.667
                  Ionic strength (mol/kgw)  =   1.091e+01
                        Mass of water (kg)  =   9.689e-03
@@ -3447,7 +3448,7 @@ Polyhalite        0.00   -13.74    -13.74    1.172e-03   1.369e-03   1.969e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.359e-03
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.60
-                               Iterations  =  13
+                               Iterations  =  11
                          Gamma iterations  =   4
                       Osmotic coefficient  =   1.89560
                          Density of water  =   0.99704
@@ -3460,7 +3461,7 @@ Polyhalite        0.00   -13.74    -13.74    1.172e-03   1.369e-03   1.969e-04
                                 MacInnes       Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             4.322e-06   1.613e-07    -5.364    -6.792    -1.428     10.86
+   OH-             4.322e-06   1.613e-07    -5.364    -6.792    -1.428     10.87
    H+              1.934e-09   4.184e-08    -8.713    -7.378     1.335      0.00
    H2O             5.551e+01   6.665e-01     1.744    -0.176     0.000     18.07
 Br            4.542e-02
@@ -3468,23 +3469,23 @@ Br            4.542e-02
 C(4)          9.222e-03
    MgCO3           7.372e-03   7.372e-03    -2.132    -2.132     0.000    -17.09
    HCO3-           1.107e-03   7.810e-05    -2.956    -4.107    -1.151     37.14
-   CO3-2           7.413e-04   8.547e-08    -3.130    -7.068    -3.938     14.21
+   CO3-2           7.413e-04   8.547e-08    -3.130    -7.068    -3.938     14.22
    CO2             2.728e-06   1.076e-05    -5.564    -4.968     0.596     34.43
 Ca            4.617e-03
-   Ca+2            4.617e-03   4.595e-02    -2.336    -1.338     0.998    -12.43
+   Ca+2            4.617e-03   4.595e-02    -2.336    -1.338     0.998    -12.42
 Cl            6.294e+00
    Cl-             6.294e+00   4.724e+00     0.799     0.674    -0.125     20.69
 K             2.293e-01
-   K+              2.293e-01   2.918e-01    -0.640    -0.535     0.105     14.24
+   K+              2.293e-01   2.918e-01    -0.640    -0.535     0.105     14.25
 Mg            2.756e+00
-   Mg+2            2.746e+00   1.018e+02     0.439     2.008     1.569    -15.68
+   Mg+2            2.746e+00   1.018e+02     0.439     2.008     1.569    -15.67
    MgCO3           7.372e-03   7.372e-03    -2.132    -2.132     0.000    -17.09
    MgOH+           2.160e-03   2.517e-03    -2.666    -2.599     0.067     (0)  
 Na            1.983e+00
    Na+             1.983e+00   8.077e+00     0.297     0.907     0.610      2.18
 S(6)          5.653e-01
-   SO4-2           5.653e-01   1.220e-03    -0.248    -2.913    -2.666     28.27
-   HSO4-           4.875e-09   4.864e-09    -8.312    -8.313    -0.001     42.42
+   SO4-2           5.653e-01   1.220e-03    -0.248    -2.913    -2.666     30.38
+   HSO4-           4.975e-09   4.964e-09    -8.303    -8.304    -0.001     42.42
 
 ------------------------------Saturation indices-------------------------------
 
@@ -3505,7 +3506,7 @@ S(6)          5.653e-01
   Epsomite         -0.29     -2.14   -1.85  MgSO4:7H2O
   Gaylussite       -5.12    -14.54   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.72     -6.52   -3.80  NaK3(SO4)2
-  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        3.95    -25.42  -29.37  K2Ca5(SO4)6H2O
   Gypsum           -0.00     -4.60   -4.60  CaSO4:2H2O
   H2O(g)           -1.68     -0.18    1.50  H2O
@@ -3570,7 +3571,7 @@ CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   6.284e-07
 Calcite           0.00    -8.41     -8.41    2.856e-04   2.716e-04  -1.398e-05
 Carnallite       -1.96     2.46      4.42    0.000e+00           0   0.000e+00
 Epsomite         -0.23    -2.08     -1.85    0.000e+00           0   0.000e+00
-Glauberite        0.00    -5.35     -5.35    1.544e-03   9.450e-04  -5.993e-04
+Glauberite       -0.00    -5.35     -5.35    1.544e-03   9.450e-04  -5.993e-04
 Gypsum           -0.01    -4.61     -4.60    0.000e+00           0   0.000e+00
 Halite            0.00     1.58      1.58    2.321e-01   2.356e-01   3.547e-03
 Hexahydrite      -0.33    -1.90     -1.57    0.000e+00           0   0.000e+00
@@ -3594,10 +3595,10 @@ Polyhalite        0.00   -13.74    -13.74    1.369e-03   1.563e-03   1.942e-04
 
                                        pH  =   7.386      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 180044
-                          Density (g/cm³)  =   1.26371
-                               Volume (L)  =   0.01018
-                        Viscosity (mPa s)  =   3.94431
+      Specific Conductance (µS/cm,  25°C)  = 140319
+                          Density (g/cm³)  =   1.26219
+                               Volume (L)  =   0.01020
+                        Viscosity (mPa s)  =   3.99402
                         Activity of water  =   0.660
                  Ionic strength (mol/kgw)  =   1.122e+01
                        Mass of water (kg)  =   9.142e-03
@@ -3619,7 +3620,7 @@ Polyhalite        0.00   -13.74    -13.74    1.369e-03   1.563e-03   1.942e-04
                                 MacInnes       Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             4.862e-06   1.623e-07    -5.313    -6.790    -1.476     11.24
+   OH-             4.862e-06   1.623e-07    -5.313    -6.790    -1.476     11.25
    H+              1.765e-09   4.115e-08    -8.753    -7.386     1.368      0.00
    H2O             5.551e+01   6.600e-01     1.744    -0.180     0.000     18.07
 Br            4.814e-02
@@ -3642,8 +3643,8 @@ Mg            2.900e+00
 Na            1.845e+00
    Na+             1.845e+00   7.984e+00     0.266     0.902     0.636      2.24
 S(6)          6.200e-01
-   SO4-2           6.200e-01   1.249e-03    -0.208    -2.903    -2.696     28.44
-   HSO4-           4.695e-09   4.896e-09    -8.328    -8.310     0.018     42.44
+   SO4-2           6.200e-01   1.249e-03    -0.208    -2.903    -2.696     30.60
+   HSO4-           4.791e-09   4.997e-09    -8.320    -8.301     0.018     42.44
 
 ------------------------------Saturation indices-------------------------------
 
@@ -3664,7 +3665,7 @@ S(6)          6.200e-01
   Epsomite         -0.23     -2.08   -1.85  MgSO4:7H2O
   Gaylussite       -5.14    -14.56   -9.42  CaNa2(CO3)2:5H2O
   Glaserite        -2.84     -6.65   -3.80  NaK3(SO4)2
-  Glauberite        0.00     -5.35   -5.35  Na2Ca(SO4)2
+  Glauberite       -0.00     -5.35   -5.35  Na2Ca(SO4)2
   Goergeyite        3.87    -25.50  -29.37  K2Ca5(SO4)6H2O
   Gypsum           -0.01     -4.61   -4.60  CaSO4:2H2O
   H2O(g)           -1.68     -0.18    1.50  H2O
@@ -3753,10 +3754,10 @@ Polyhalite        0.00   -13.74    -13.74    1.563e-03   1.740e-03   1.768e-04
 
                                        pH  =   7.394      Charge balance
                                        pe  =   4.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 174324
-                          Density (g/cm³)  =   1.26978
-                               Volume (L)  =   0.00957
-                        Viscosity (mPa s)  =   4.24936
+      Specific Conductance (µS/cm,  25°C)  = 132216
+                          Density (g/cm³)  =   1.26804
+                               Volume (L)  =   0.00958
+                        Viscosity (mPa s)  =   4.31212
                         Activity of water  =   0.652
                  Ionic strength (mol/kgw)  =   1.158e+01
                        Mass of water (kg)  =   8.595e-03
@@ -3785,7 +3786,7 @@ Br            5.121e-02
    Br-             5.121e-02   7.144e-02    -1.291    -1.146     0.145     26.54
 C(4)          1.410e-02
    MgCO3           1.149e-02   1.149e-02    -1.940    -1.940     0.000    -17.09
-   HCO3-           1.399e-03   7.922e-05    -2.854    -4.101    -1.247     37.64
+   HCO3-           1.399e-03   7.922e-05    -2.854    -4.101    -1.247     37.65
    CO3-2           1.213e-03   8.990e-08    -2.916    -7.046    -4.130     14.91
    CO2             2.533e-06   1.076e-05    -5.596    -4.968     0.628     34.43
 Ca            3.676e-03
@@ -3801,8 +3802,8 @@ Mg            3.063e+00
 Na            1.697e+00
    Na+             1.697e+00   7.876e+00     0.230     0.896     0.667      2.30
 S(6)          6.901e-01
-   SO4-2           6.901e-01   1.284e-03    -0.161    -2.892    -2.730     28.65
-   HSO4-           4.512e-09   4.934e-09    -8.346    -8.307     0.039     42.46
+   SO4-2           6.901e-01   1.284e-03    -0.161    -2.892    -2.730     30.86
+   HSO4-           4.605e-09   5.036e-09    -8.337    -8.298     0.039     42.46
 
 ------------------------------Saturation indices-------------------------------
 
diff --git a/phreeqc3-examples/ex18.out b/phreeqc3-examples/ex18.out
index e92ed683..dc9986e5 100644
--- a/phreeqc3-examples/ex18.out
+++ b/phreeqc3-examples/ex18.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -117,18 +118,18 @@ Initial solution 1.	Recharge number 3
 
                                        pH  =   7.550    
                                        pe  =   0.000    
-      Specific Conductance (µS/cm,  10°C)  = 271
+      Specific Conductance (µS/cm,  10°C)  = 278
                           Density (g/cm³)  =   0.99999
                                Volume (L)  =   1.00035
-                        Viscosity (mPa s)  =   1.31276
+                        Viscosity (mPa s)  =   1.31358
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   6.543e-03
+                 Ionic strength (mol/kgw)  =   6.588e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   4.016e-03
+                 Total alkalinity (eq/kg)  =   4.014e-03
                        Total CO2 (mol/kg)  =   4.300e-03
                          Temperature (°C)  =   9.90
-                  Electrical balance (eq)  =   1.063e-04
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.24
+                  Electrical balance (eq)  =   1.077e-04
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.25
                                Iterations  =   8
                                   Total H  = 1.110164e+02
                                   Total O  = 5.551946e+01
@@ -142,93 +143,95 @@ Initial solution 1.	Recharge number 3
    H+              3.038e-08   2.818e-08    -7.517    -7.550    -0.033      0.00
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.02
 C(4)          4.300e-03
-   HCO3-           3.929e-03   3.622e-03    -2.406    -2.441    -0.035     22.87
-   CO2             2.971e-04   2.974e-04    -3.527    -3.527     0.000     33.66
-   MgHCO3+         3.094e-05   2.845e-05    -4.510    -4.546    -0.036      4.93
-   CaHCO3+         3.027e-05   2.794e-05    -4.519    -4.554    -0.035      8.96
-   CO3-2           5.766e-06   4.167e-06    -5.239    -5.380    -0.141     -6.29
-   CaCO3           4.730e-06   4.737e-06    -5.325    -5.324     0.001    -14.66
-   MgCO3           2.204e-06   2.208e-06    -5.657    -5.656     0.001    -17.07
-   FeHCO3+         2.086e-07   1.919e-07    -6.681    -6.717    -0.036     (0)  
-   FeCO3           5.288e-08   5.296e-08    -7.277    -7.276     0.001     (0)  
-   NaHCO3          2.455e-08   2.463e-08    -7.610    -7.608     0.002     28.00
-   (CO2)2          9.408e-10   9.423e-10    -9.026    -9.026     0.001     67.31
+   HCO3-           3.951e-03   3.642e-03    -2.403    -2.439    -0.035     22.89
+   CO2             2.987e-04   2.990e-04    -3.525    -3.524     0.000     33.66
+   MgHCO3+         3.108e-05   2.857e-05    -4.508    -4.544    -0.037      4.93
+   CaHCO3+         6.407e-06   5.913e-06    -5.193    -5.228    -0.035    121.93
+   CO3-2           5.802e-06   4.190e-06    -5.236    -5.378    -0.141     -6.10
+   CaCO3           4.848e-06   4.855e-06    -5.314    -5.314     0.001    -14.66
+   MgCO3           2.214e-06   2.217e-06    -5.655    -5.654     0.001    -17.07
+   FeHCO3+         2.093e-07   1.925e-07    -6.679    -6.716    -0.036     (0)  
+   FeCO3           5.305e-08   5.313e-08    -7.275    -7.275     0.001     (0)  
+   NaHCO3          3.694e-08   3.705e-08    -7.433    -7.431     0.001     31.86
+   KHCO3           2.302e-08   2.303e-08    -7.638    -7.638     0.000     40.92
+   (CO2)2          9.509e-10   9.523e-10    -9.022    -9.021     0.001     67.31
 Ca            1.200e-03
-   Ca+2            1.152e-03   8.324e-04    -2.938    -3.080    -0.141    -18.31
-   CaHCO3+         3.027e-05   2.794e-05    -4.519    -4.554    -0.035      8.96
-   CaSO4           1.277e-05   1.279e-05    -4.894    -4.893     0.001      6.78
-   CaCO3           4.730e-06   4.737e-06    -5.325    -5.324     0.001    -14.66
-   CaOH+           5.328e-09   4.901e-09    -8.273    -8.310    -0.036     (0)  
-   CaHSO4+         2.133e-12   1.962e-12   -11.671   -11.707    -0.036     (0)  
+   Ca+2            1.176e-03   8.486e-04    -2.930    -3.071    -0.142    -18.31
+   CaSO4           1.298e-05   1.300e-05    -4.887    -4.886     0.001      6.78
+   CaHCO3+         6.407e-06   5.913e-06    -5.193    -5.228    -0.035    121.93
+   CaCO3           4.848e-06   4.855e-06    -5.314    -5.314     0.001    -14.66
+   CaOH+           5.433e-09   4.996e-09    -8.265    -8.301    -0.036     (0)  
+   CaHSO4+         2.170e-12   1.995e-12   -11.664   -11.700    -0.036     (0)  
 Cl            2.000e-05
    Cl-             2.000e-05   1.838e-05    -4.699    -4.736    -0.037     17.40
-   FeCl+           1.461e-11   1.344e-11   -10.835   -10.872    -0.036     (0)  
-   HCl             1.948e-13   1.960e-13   -12.711   -12.708     0.003     (0)  
+   FeCl+           1.458e-11   1.341e-11   -10.836   -10.873    -0.036     (0)  
+   HCl             1.947e-13   1.960e-13   -12.711   -12.708     0.003     (0)  
 Fe(2)         1.000e-06
-   Fe+2            7.297e-07   5.298e-07    -6.137    -6.276    -0.139    -23.20
-   FeHCO3+         2.086e-07   1.919e-07    -6.681    -6.717    -0.036     (0)  
-   FeCO3           5.288e-08   5.296e-08    -7.277    -7.276     0.001     (0)  
-   FeSO4           6.846e-09   6.856e-09    -8.165    -8.164     0.001     39.09
-   FeOH+           1.965e-09   1.811e-09    -8.707    -8.742    -0.036     (0)  
-   FeCl+           1.461e-11   1.344e-11   -10.835   -10.872    -0.036     (0)  
-   Fe(OH)2         1.369e-13   1.371e-13   -12.864   -12.863     0.001     (0)  
-   FeHSO4+         1.358e-15   1.249e-15   -14.867   -14.903    -0.036     (0)  
-   Fe(OH)3-        1.678e-16   1.546e-16   -15.775   -15.811    -0.036     (0)  
+   Fe+2            7.288e-07   5.286e-07    -6.137    -6.277    -0.139    -23.19
+   FeHCO3+         2.093e-07   1.925e-07    -6.679    -6.716    -0.036     (0)  
+   FeCO3           5.305e-08   5.313e-08    -7.275    -7.275     0.001     (0)  
+   FeSO4           6.814e-09   6.824e-09    -8.167    -8.166     0.001     39.09
+   FeOH+           1.962e-09   1.807e-09    -8.707    -8.743    -0.036     (0)  
+   FeCl+           1.458e-11   1.341e-11   -10.836   -10.873    -0.036     (0)  
+   Fe(OH)2         1.366e-13   1.368e-13   -12.865   -12.864     0.001     (0)  
+   FeHSO4+         1.352e-15   1.243e-15   -14.869   -14.906    -0.036     (0)  
+   Fe(OH)3-        1.674e-16   1.542e-16   -15.776   -15.812    -0.036     (0)  
 H(0)          1.316e-18
-   H2              6.579e-19   6.588e-19   -18.182   -18.181     0.001     28.63
+   H2              6.578e-19   6.588e-19   -18.182   -18.181     0.001     28.63
 K             2.000e-05
-   K+              1.999e-05   1.837e-05    -4.699    -4.736    -0.037      8.43
-   KSO4-           9.288e-09   8.467e-09    -8.032    -8.072    -0.040     19.30
+   K+              1.995e-05   1.832e-05    -4.700    -4.737    -0.037      8.43
+   KSO4-           2.822e-08   2.609e-08    -7.549    -7.584    -0.034     12.38
+   KHCO3           2.302e-08   2.303e-08    -7.638    -7.638     0.000     40.92
 Mg            1.010e-03
-   Mg+2            9.648e-04   7.000e-04    -3.016    -3.155    -0.139    -21.10
-   MgHCO3+         3.094e-05   2.845e-05    -4.510    -4.546    -0.036      4.93
-   MgSO4           1.203e-05   1.206e-05    -4.920    -4.918     0.001     -4.13
-   MgCO3           2.204e-06   2.208e-06    -5.657    -5.656     0.001    -17.07
-   MgOH+           2.321e-08   2.144e-08    -7.634    -7.669    -0.034     (0)  
-   Mg(SO4)2-2      7.112e-09   5.204e-09    -8.148    -8.284    -0.136     35.28
+   Mg+2            9.647e-04   6.992e-04    -3.016    -3.155    -0.140    -21.10
+   MgHCO3+         3.108e-05   2.857e-05    -4.508    -4.544    -0.037      4.93
+   MgSO4           1.198e-05   1.202e-05    -4.921    -4.920     0.001    -14.55
+   MgCO3           2.214e-06   2.217e-06    -5.655    -5.654     0.001    -17.07
+   MgOH+           2.319e-08   2.142e-08    -7.635    -7.669    -0.034     (0)  
+   Mg(SO4)2-2      7.075e-09   5.172e-09    -8.150    -8.286    -0.136      1.55
 Na            2.000e-05
-   Na+             1.996e-05   1.838e-05    -4.700    -4.736    -0.036     -2.42
-   NaHCO3          2.455e-08   2.463e-08    -7.610    -7.608     0.002     28.00
-   NaSO4-          1.104e-08   1.006e-08    -7.957    -7.997    -0.040     13.45
-   NaOH            1.899e-22   1.902e-22   -21.722   -21.721     0.001     (0)  
+   Na+             1.994e-05   1.835e-05    -4.700    -4.736    -0.036     -2.42
+   NaHCO3          3.694e-08   3.705e-08    -7.433    -7.431     0.001     31.86
+   NaSO4-          2.681e-08   2.471e-08    -7.572    -7.607    -0.035    -19.96
+   NaOH            1.896e-22   1.898e-22   -21.722   -21.722     0.001     (0)  
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -61.151   -61.151     0.001     28.94
 S(6)          1.600e-04
-   SO4-2           1.352e-04   9.734e-05    -3.869    -4.012    -0.143     11.93
-   CaSO4           1.277e-05   1.279e-05    -4.894    -4.893     0.001      6.78
-   MgSO4           1.203e-05   1.206e-05    -4.920    -4.918     0.001     -4.13
-   NaSO4-          1.104e-08   1.006e-08    -7.957    -7.997    -0.040     13.45
-   KSO4-           9.288e-09   8.467e-09    -8.032    -8.072    -0.040     19.30
-   Mg(SO4)2-2      7.112e-09   5.204e-09    -8.148    -8.284    -0.136     35.28
-   FeSO4           6.846e-09   6.856e-09    -8.165    -8.164     0.001     39.09
-   HSO4-           2.132e-10   1.961e-10    -9.671    -9.708    -0.036     38.92
-   CaHSO4+         2.133e-12   1.962e-12   -11.671   -11.707    -0.036     (0)  
-   FeHSO4+         1.358e-15   1.249e-15   -14.867   -14.903    -0.036     (0)  
+   SO4-2           1.350e-04   9.710e-05    -3.870    -4.013    -0.143     14.49
+   CaSO4           1.298e-05   1.300e-05    -4.887    -4.886     0.001      6.78
+   MgSO4           1.198e-05   1.202e-05    -4.921    -4.920     0.001    -14.55
+   KSO4-           2.822e-08   2.609e-08    -7.549    -7.584    -0.034     12.38
+   NaSO4-          2.681e-08   2.471e-08    -7.572    -7.607    -0.035    -19.96
+   Mg(SO4)2-2      7.075e-09   5.172e-09    -8.150    -8.286    -0.136      1.55
+   FeSO4           6.814e-09   6.824e-09    -8.167    -8.166     0.001     39.09
+   HSO4-           2.127e-10   1.956e-10    -9.672    -9.709    -0.036     38.92
+   CaHSO4+         2.170e-12   1.995e-12   -11.664   -11.700    -0.036     (0)  
+   FeHSO4+         1.352e-15   1.243e-15   -14.869   -14.906    -0.036     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(283 K,   1 atm)
 
-  Anhydrite        -2.97     -7.09   -4.12  CaSO4
-  Aragonite        -0.20     -8.46   -8.25  CaCO3
-  Arcanite        -11.37    -13.48   -2.11  K2SO4
-  Calcite          -0.06     -8.46   -8.40  CaCO3
-  CH2O            -33.73    -33.73    0.00  CH2O
-  CO2(g)           -2.26     -3.53   -1.27  CO2
-  Dolomite         -0.11    -16.99  -16.88  CaMg(CO3)2
-  Epsomite         -5.33     -7.17   -1.83  MgSO4:7H2O
-  Gypsum           -2.49     -7.09   -4.60  CaSO4:2H2O
+  Anhydrite        -2.96     -7.08   -4.12  CaSO4
+  Aragonite        -0.19     -8.45   -8.25  CaCO3
+  Arcanite        -11.38    -13.49   -2.11  K2SO4
+  Calcite          -0.05     -8.45   -8.40  CaCO3
+  CH2O            -33.72    -33.72    0.00  CH2O
+  CO2(g)           -2.26     -3.52   -1.27  CO2
+  Dolomite         -0.10    -16.98  -16.88  CaMg(CO3)2
+  Epsomite         -5.34     -7.17   -1.83  MgSO4:7H2O
+  Gypsum           -2.49     -7.08   -4.60  CaSO4:2H2O
   H2(g)           -15.13    -18.18   -3.05  H2
   H2O(g)           -1.91     -0.00    1.91  H2O
   Halite          -11.03     -9.47    1.56  NaCl
   Hexahydrite      -5.58     -7.17   -1.59  MgSO4:6H2O
   Kieserite        -5.85     -7.17   -1.32  MgSO4:H2O
   Melanterite      -7.88    -10.29   -2.41  FeSO4:7H2O
-  Mirabilite      -11.51    -13.48   -1.97  Na2SO4:10H2O
+  Mirabilite      -11.51    -13.49   -1.97  Na2SO4:10H2O
   O2(g)           -58.39    -61.15   -2.76  O2
-  Siderite         -0.86    -11.66  -10.79  FeCO3
+  Siderite         -0.86    -11.65  -10.79  FeCO3
   Sylvite          -9.47     -9.47    0.00  KCl
-  Thenardite      -13.25    -13.48   -0.23  Na2SO4
+  Thenardite      -13.26    -13.49   -0.23  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -253,138 +256,140 @@ Initial solution 2.	Mysse
 
                                        pH  =   6.610    
                                        pe  =   0.000    
-      Specific Conductance (µS/cm,  63°C)  = 9924
-                          Density (g/cm³)  =   0.98525
-                               Volume (L)  =   1.01937
-                        Viscosity (mPa s)  =   0.45381
+      Specific Conductance (µS/cm,  63°C)  = 10507
+                          Density (g/cm³)  =   0.98520
+                               Volume (L)  =   1.01942
+                        Viscosity (mPa s)  =   0.45606
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   7.390e-02
+                 Ionic strength (mol/kgw)  =   7.101e-02
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.286e-03
+                 Total alkalinity (eq/kg)  =   5.294e-03
                        Total CO2 (mol/kg)  =   6.870e-03
                          Temperature (°C)  =  63.00
-                  Electrical balance (eq)  =   3.215e-03
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   3.14
+                  Electrical balance (eq)  =   3.207e-03
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   3.22
                                Iterations  =   8 (16 overall)
                                   Total H  = 1.110179e+02
-                                  Total O  = 5.560451e+01
+                                  Total O  = 5.560452e+01
 
 ---------------------------------Redox couples---------------------------------
 
 	Redox couple             pe  Eh (volts)
 
-	S(-2)/S(6)          -3.6464     -0.2432
+	S(-2)/S(6)          -3.6540     -0.2437
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             5.980e-07   4.607e-07    -6.223    -6.337    -0.113     -3.62
-   H+              2.965e-07   2.455e-07    -6.528    -6.610    -0.082      0.00
+   OH-             5.957e-07   4.608e-07    -6.225    -6.337    -0.112     -3.63
+   H+              2.959e-07   2.455e-07    -6.529    -6.610    -0.081      0.00
    H2O             5.551e+01   9.985e-01     1.744    -0.001     0.000     18.35
 C(4)          6.870e-03
-   HCO3-           4.610e-03   3.661e-03    -2.336    -2.436    -0.100     26.07
-   CO2             1.753e-03   1.773e-03    -2.756    -2.751     0.005     36.36
-   CaHCO3+         2.375e-04   1.901e-04    -3.624    -3.721    -0.097     10.66
-   NaHCO3          1.921e-04   1.997e-04    -3.717    -3.700     0.017     28.00
-   MgHCO3+         5.656e-05   4.396e-05    -4.247    -4.357    -0.109      6.11
-   CaCO3           1.588e-05   1.616e-05    -4.799    -4.792     0.007    -14.51
-   CO3-2           2.732e-06   1.086e-06    -5.563    -5.964    -0.401     -2.45
-   MgCO3           1.396e-06   1.420e-06    -5.855    -5.848     0.007    -17.09
-   (CO2)2          1.558e-07   1.585e-07    -6.807    -6.800     0.007     72.72
-   FeHCO3+         1.149e-08   9.014e-09    -7.940    -8.045    -0.105     (0)  
-   FeCO3           6.308e-10   6.417e-10    -9.200    -9.193     0.007     (0)  
+   HCO3-           4.575e-03   3.644e-03    -2.340    -2.438    -0.099     25.86
+   CO2             1.746e-03   1.765e-03    -2.758    -2.753     0.005     36.36
+   CaHCO3+         2.772e-04   2.226e-04    -3.557    -3.653    -0.095    123.62
+   NaHCO3          1.844e-04   1.905e-04    -3.734    -3.720     0.014     31.20
+   MgHCO3+         6.093e-05   4.753e-05    -4.215    -4.323    -0.108      6.10
+   CaCO3           1.656e-05   1.683e-05    -4.781    -4.774     0.007    -14.51
+   KHCO3           5.096e-06   5.104e-06    -5.293    -5.292     0.001     41.50
+   CO3-2           2.687e-06   1.082e-06    -5.571    -5.966    -0.395     -2.58
+   MgCO3           1.511e-06   1.536e-06    -5.821    -5.814     0.007    -17.09
+   (CO2)2          1.545e-07   1.571e-07    -6.811    -6.804     0.007     72.72
+   FeHCO3+         1.153e-08   9.078e-09    -7.938    -8.042    -0.104     (0)  
+   FeCO3           6.358e-10   6.462e-10    -9.197    -9.190     0.007     (0)  
 Ca            1.128e-02
-   Ca+2            7.562e-03   3.022e-03    -2.121    -2.520    -0.398    -17.56
-   CaSO4           3.465e-03   3.524e-03    -2.460    -2.453     0.007      8.42
-   CaHCO3+         2.375e-04   1.901e-04    -3.624    -3.721    -0.097     10.66
-   CaCO3           1.588e-05   1.616e-05    -4.799    -4.792     0.007    -14.51
-   CaHSO4+         1.436e-08   1.127e-08    -7.843    -7.948    -0.105     (0)  
-   CaOH+           2.600e-09   2.040e-09    -8.585    -8.690    -0.105     (0)  
+   Ca+2            7.821e-03   3.163e-03    -2.107    -2.500    -0.393    -17.58
+   CaSO4           3.165e-03   3.217e-03    -2.500    -2.492     0.007      8.42
+   CaHCO3+         2.772e-04   2.226e-04    -3.557    -3.653    -0.095    123.62
+   CaCO3           1.656e-05   1.683e-05    -4.781    -4.774     0.007    -14.51
+   CaHSO4+         1.307e-08   1.029e-08    -7.884    -7.988    -0.104     (0)  
+   CaOH+           2.712e-09   2.135e-09    -8.567    -8.671    -0.104     (0)  
 Cl            1.785e-02
-   Cl-             1.785e-02   1.382e-02    -1.748    -1.859    -0.111     18.29
-   HCl             8.590e-10   9.235e-10    -9.066    -9.035     0.031     (0)  
-   FeCl+           5.987e-10   4.698e-10    -9.223    -9.328    -0.105     (0)  
+   Cl-             1.785e-02   1.388e-02    -1.748    -1.858    -0.109     18.29
+   HCl             8.646e-10   9.269e-10    -9.063    -9.033     0.030     (0)  
+   FeCl+           6.061e-10   4.771e-10    -9.217    -9.321    -0.104     (0)  
 Fe(2)         4.000e-07
-   Fe(HS)2         2.817e-07   2.865e-07    -6.550    -6.543     0.007     (0)  
-   Fe+2            5.993e-08   2.462e-08    -7.222    -7.609    -0.386    -19.94
-   FeSO4           4.060e-08   4.130e-08    -7.391    -7.384     0.007     -6.81
-   FeHCO3+         1.149e-08   9.014e-09    -7.940    -8.045    -0.105     (0)  
-   Fe(HS)3-        4.544e-09   3.566e-09    -8.343    -8.448    -0.105     (0)  
-   FeCO3           6.308e-10   6.417e-10    -9.200    -9.193     0.007     (0)  
-   FeCl+           5.987e-10   4.698e-10    -9.223    -9.328    -0.105     (0)  
-   FeOH+           4.978e-10   3.930e-10    -9.303    -9.406    -0.103     (0)  
-   Fe(OH)2         2.509e-13   2.552e-13   -12.601   -12.593     0.007     (0)  
-   FeHSO4+         1.170e-13   9.183e-14   -12.932   -13.037    -0.105     (0)  
-   Fe(OH)3-        6.802e-17   5.370e-17   -16.167   -16.270    -0.103     (0)  
-H(0)          1.177e-09
-   H2              5.885e-10   5.986e-10    -9.230    -9.223     0.007     28.58
+   Fe(HS)2         2.863e-07   2.910e-07    -6.543    -6.536     0.007     (0)  
+   Fe+2            5.995e-08   2.491e-08    -7.222    -7.604    -0.381    -19.95
+   FeSO4           3.586e-08   3.645e-08    -7.445    -7.438     0.007     -6.81
+   FeHCO3+         1.153e-08   9.078e-09    -7.938    -8.042    -0.104     (0)  
+   Fe(HS)3-        4.609e-09   3.629e-09    -8.336    -8.440    -0.104     (0)  
+   FeCO3           6.358e-10   6.462e-10    -9.197    -9.190     0.007     (0)  
+   FeCl+           6.061e-10   4.771e-10    -9.217    -9.321    -0.104     (0)  
+   FeOH+           5.020e-10   3.976e-10    -9.299    -9.401    -0.101     (0)  
+   Fe(OH)2         2.540e-13   2.582e-13   -12.595   -12.588     0.007     (0)  
+   FeHSO4+         1.030e-13   8.105e-14   -12.987   -13.091    -0.104     (0)  
+   Fe(OH)3-        6.860e-17   5.434e-17   -16.164   -16.265    -0.101     (0)  
+H(0)          1.219e-09
+   H2              6.097e-10   6.197e-10    -9.215    -9.208     0.007     28.58
 K             2.540e-03
-   K+              2.503e-03   1.934e-03    -2.601    -2.714    -0.112     10.02
-   KSO4-           3.662e-05   2.600e-05    -4.436    -4.585    -0.149     24.41
+   K+              2.339e-03   1.814e-03    -2.631    -2.741    -0.110     10.01
+   KSO4-           1.955e-04   1.606e-04    -3.709    -3.794    -0.085     15.45
+   KHCO3           5.096e-06   5.104e-06    -5.293    -5.292     0.001     41.50
 Mg            4.540e-03
-   MgSO4           2.578e-03   2.668e-03    -2.589    -2.574     0.015      2.94
-   Mg+2            1.847e-03   7.643e-04    -2.733    -3.117    -0.383    -22.47
-   MgHCO3+         5.656e-05   4.396e-05    -4.247    -4.357    -0.109      6.11
-   Mg(SO4)2-2      5.602e-05   2.438e-05    -4.252    -4.613    -0.361     50.17
-   MgCO3           1.396e-06   1.420e-06    -5.855    -5.848     0.007    -17.09
-   MgOH+           2.939e-07   2.368e-07    -6.532    -6.626    -0.094     (0)  
+   MgSO4           2.446e-03   2.528e-03    -2.611    -2.597     0.014     -0.04
+   Mg+2            1.985e-03   8.301e-04    -2.702    -3.081    -0.379    -22.49
+   MgHCO3+         6.093e-05   4.753e-05    -4.215    -4.323    -0.108      6.10
+   Mg(SO4)2-2      4.585e-05   2.015e-05    -4.339    -4.696    -0.357     26.88
+   MgCO3           1.511e-06   1.536e-06    -5.821    -5.814     0.007    -17.09
+   MgOH+           3.184e-07   2.572e-07    -6.497    -6.590    -0.093     (0)  
 Na            3.189e-02
-   Na+             3.123e-02   2.464e-02    -1.505    -1.608    -0.103      0.10
-   NaSO4-          4.703e-04   3.335e-04    -3.328    -3.477    -0.149     16.08
-   NaHCO3          1.921e-04   1.997e-04    -3.717    -3.700     0.017     28.00
-   NaOH            1.116e-18   1.135e-18   -17.952   -17.945     0.007     (0)  
+   Na+             2.911e-02   2.304e-02    -1.536    -1.638    -0.102      0.09
+   NaSO4-          2.599e-03   2.073e-03    -2.585    -2.683    -0.098     -3.67
+   NaHCO3          1.844e-04   1.905e-04    -3.734    -3.720     0.014     31.20
+   NaOH            1.044e-18   1.062e-18   -17.981   -17.974     0.007     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.066   -63.058     0.007     32.51
+   O2              0.000e+00   0.000e+00   -63.096   -63.088     0.007     32.51
 S(-2)         2.600e-04
-   HS-             1.483e-04   1.143e-04    -3.829    -3.942    -0.113     21.39
-   H2S             1.111e-04   1.130e-04    -3.954    -3.947     0.007     42.59
-   Fe(HS)2         2.817e-07   2.865e-07    -6.550    -6.543     0.007     (0)  
-   Fe(HS)3-        4.544e-09   3.566e-09    -8.343    -8.448    -0.105     (0)  
-   S-2             1.456e-09   5.657e-10    -8.837    -9.247    -0.411     (0)  
-   (H2S)2          1.345e-09   1.368e-09    -8.871    -8.864     0.007     27.88
+   HS-             1.480e-04   1.145e-04    -3.830    -3.941    -0.112     21.38
+   H2S             1.114e-04   1.132e-04    -3.953    -3.946     0.007     42.59
+   Fe(HS)2         2.863e-07   2.910e-07    -6.543    -6.536     0.007     (0)  
+   Fe(HS)3-        4.609e-09   3.629e-09    -8.336    -8.440    -0.104     (0)  
+   S-2             1.440e-09   5.668e-10    -8.842    -9.247    -0.405     (0)  
+   (H2S)2          1.351e-09   1.373e-09    -8.869    -8.862     0.007     27.88
 S(6)          1.986e-02
-   SO4-2           1.320e-02   5.093e-03    -1.880    -2.293    -0.414     16.79
-   CaSO4           3.465e-03   3.524e-03    -2.460    -2.453     0.007      8.42
-   MgSO4           2.578e-03   2.668e-03    -2.589    -2.574     0.015      2.94
-   NaSO4-          4.703e-04   3.335e-04    -3.328    -3.477    -0.149     16.08
-   Mg(SO4)2-2      5.602e-05   2.438e-05    -4.252    -4.613    -0.361     50.17
-   KSO4-           3.662e-05   2.600e-05    -4.436    -4.585    -0.149     24.41
-   HSO4-           3.953e-07   3.102e-07    -6.403    -6.508    -0.105     41.70
-   FeSO4           4.060e-08   4.130e-08    -7.391    -7.384     0.007     -6.81
-   CaHSO4+         1.436e-08   1.127e-08    -7.843    -7.948    -0.105     (0)  
-   FeHSO4+         1.170e-13   9.183e-14   -12.932   -13.037    -0.105     (0)  
+   SO4-2           1.136e-02   4.443e-03    -1.945    -2.352    -0.408     23.91
+   CaSO4           3.165e-03   3.217e-03    -2.500    -2.492     0.007      8.42
+   NaSO4-          2.599e-03   2.073e-03    -2.585    -2.683    -0.098     -3.67
+   MgSO4           2.446e-03   2.528e-03    -2.611    -2.597     0.014     -0.04
+   KSO4-           1.955e-04   1.606e-04    -3.709    -3.794    -0.085     15.45
+   Mg(SO4)2-2      4.585e-05   2.015e-05    -4.339    -4.696    -0.357     26.88
+   HSO4-           3.438e-07   2.706e-07    -6.464    -6.568    -0.104     41.70
+   FeSO4           3.586e-08   3.645e-08    -7.445    -7.438     0.007     -6.81
+   CaHSO4+         1.307e-08   1.029e-08    -7.884    -7.988    -0.104     (0)  
+   FeHSO4+         1.030e-13   8.105e-14   -12.987   -13.091    -0.104     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(336 K,   1 atm)
 
-  Anhydrite        -0.07     -4.81   -4.75  CaSO4
-  Aragonite         0.19     -8.48   -8.67  CaCO3
-  Arcanite         -6.17     -7.72   -1.55  K2SO4
-  Calcite           0.44     -8.48   -8.92  CaCO3
-  CH2O            -14.60    -14.60    0.00  CH2O
+  Anhydrite        -0.11     -4.85   -4.75  CaSO4
+  Aragonite         0.20     -8.47   -8.67  CaCO3
+  Arcanite         -6.28     -7.84   -1.55  K2SO4
+  Calcite           0.46     -8.47   -8.92  CaCO3
+  CH2O            -14.58    -14.58    0.00  CH2O
   CO2(g)           -0.95     -2.75   -1.80  CO2
-  Dolomite          0.49    -17.56  -18.06  CaMg(CO3)2
-  Epsomite         -3.91     -5.41   -1.50  MgSO4:7H2O
-  FeS(ppt)         -1.03     -4.94   -3.92  FeS
-  Gypsum           -0.15     -4.81   -4.66  CaSO4:2H2O
-  H2(g)            -6.08     -9.22   -3.14  H2
+  Dolomite          0.54    -17.51  -18.06  CaMg(CO3)2
+  Epsomite         -3.94     -5.44   -1.50  MgSO4:7H2O
+  FeS(ppt)         -1.02     -4.93   -3.92  FeS
+  Gypsum           -0.19     -4.85   -4.66  CaSO4:2H2O
+  H2(g)            -6.07     -9.21   -3.14  H2
   H2O(g)           -0.65     -0.00    0.65  H2O
   H2S(g)           -2.63    -10.55   -7.92  H2S
-  Halite           -5.06     -3.47    1.60  NaCl
-  Hexahydrite      -3.90     -5.41   -1.51  MgSO4:6H2O
-  Kieserite        -4.09     -5.41   -1.32  MgSO4:H2O
-  Mackinawite      -0.29     -4.94   -4.65  FeS
-  Melanterite      -8.05     -9.91   -1.85  FeSO4:7H2O
-  Mirabilite       -5.46     -5.52   -0.06  Na2SO4:10H2O
-  O2(g)           -59.99    -63.06   -3.07  O2
-  Pyrite            7.98     -9.57  -17.54  FeS2
-  Siderite         -2.48    -13.57  -11.10  FeCO3
-  Sulfur           -2.11      1.98    4.09  S
-  Sylvite          -4.57     -4.57    0.00  KCl
-  Thenardite       -5.02     -5.51   -0.49  Na2SO4
+  Halite           -5.09     -3.50    1.60  NaCl
+  Hexahydrite      -3.92     -5.44   -1.51  MgSO4:6H2O
+  Kieserite        -4.11     -5.43   -1.32  MgSO4:H2O
+  Mackinawite      -0.29     -4.93   -4.65  FeS
+  Melanterite      -8.11     -9.96   -1.85  FeSO4:7H2O
+  Mirabilite       -5.58     -5.63   -0.06  Na2SO4:10H2O
+  O2(g)           -60.02    -63.09   -3.07  O2
+  Pyrite            7.97     -9.57  -17.54  FeS2
+  Siderite         -2.47    -13.57  -11.10  FeCO3
+  Sulfur           -2.13      1.97    4.09  S
+  Sylvite          -4.60     -4.60    0.00  KCl
+  Thenardite       -5.14     -5.63   -0.49  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -399,7 +404,7 @@ Solution 1: Recharge number 3
 
                          Input          Delta    Input+Delta
              pH      7.550e+00  +   0.000e+00  =   7.550e+00
-     Alkalinity      4.016e-03  +   1.063e-04  =   4.122e-03
+     Alkalinity      4.014e-03  +   1.077e-04  =   4.122e-03
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
            C(4)      4.300e-03  +   0.000e+00  =   4.300e-03
              Ca      1.200e-03  +   0.000e+00  =   1.200e-03
@@ -423,17 +428,17 @@ Solution 2: Mysse
 
                          Input          Delta    Input+Delta
              pH      6.610e+00  +   0.000e+00  =   6.610e+00
-     Alkalinity      5.286e-03  +   0.000e+00  =   5.286e-03
+     Alkalinity      5.294e-03  +   0.000e+00  =   5.294e-03
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
            C(4)      6.870e-03  +   0.000e+00  =   6.870e-03
              Ca      1.128e-02  +   0.000e+00  =   1.128e-02
              Cl      1.785e-02  +   0.000e+00  =   1.785e-02
           Fe(2)      4.000e-07  +   0.000e+00  =   4.000e-07
           Fe(3)      0.000e+00  +   0.000e+00  =   0.000e+00
-           H(0)      1.177e-09  +   0.000e+00  =   1.177e-09
+           H(0)      1.219e-09  +   0.000e+00  =   1.219e-09
               K      2.540e-03  +   0.000e+00  =   2.540e-03
              Mg      4.540e-03  +   0.000e+00  =   4.540e-03
-             Na      3.189e-02  +  -1.229e-03  =   3.066e-02
+             Na      3.189e-02  +  -1.221e-03  =   3.067e-02
            O(0)      0.000e+00  +   0.000e+00  =   0.000e+00
           S(-2)      2.600e-04  +   0.000e+00  =   2.600e-04
            S(6)      1.986e-02  +   9.930e-04  =   2.085e-02
@@ -446,8 +451,8 @@ Solution 2: Mysse
 Isotopic composition of phases:
    13C Dolomite              3  +           0  =           3
     13C Calcite           -1.5  +           0  =        -1.5
-  34S Anhydrite           13.5  +   -0.715702  =     12.7843
-       13C CH2O            -25  +     3.93546  =    -21.0645
+  34S Anhydrite           13.5  +    -0.70933  =     12.7907
+       13C CH2O            -25  +     3.88835  =    -21.1116
      34S Pyrite            -22  +           2  =         -20
 
 Solution fractions:                   Minimum        Maximum
@@ -455,24 +460,24 @@ Solution fractions:                   Minimum        Maximum
    Solution   2      1.000e+00      1.000e+00      1.000e+00
 
 Phase mole transfers:                 Minimum        Maximum   Formula             (Approximate SI in solution 1, 2 at 336 K,   1 atm)
-       Dolomite      1.120e-02      1.022e-02      1.194e-02   CaMg(CO3)2                 (  1.06,  0.49)
-        Calcite     -2.404e-02     -2.597e-02     -2.113e-02   CaCO3                      (  0.46,  0.44)
-      Anhydrite      2.293e-02      2.037e-02      2.378e-02   CaSO4                      ( -2.35, -0.07)
-           CH2O      4.222e-03      2.482e-03      5.808e-03   CH2O                       (      ,      )
-       Goethite      9.867e-04      5.146e-04      1.418e-03   FeOOH                      (      ,      )
-         Pyrite     -9.873e-04     -1.417e-03     -5.163e-04   FeS2                       (      ,      )
-           MgX2     -7.665e-03     -8.591e-03     -6.972e-03   MgX2                       (      ,      )
-            NaX      1.533e-02      1.394e-02      1.718e-02   NaX                        (      ,      )
-         Halite      1.531e-02      1.429e-02      1.633e-02   NaCl                       (-11.07, -5.06)
-        Sylvite      2.520e-03      2.392e-03      2.648e-03   KCl                        ( -9.47, -4.57)
+       Dolomite      1.120e-02      1.022e-02      1.195e-02   CaMg(CO3)2                 (  1.07,  0.54)
+        Calcite     -2.404e-02     -2.597e-02     -2.112e-02   CaCO3                      (  0.47,  0.46)
+      Anhydrite      2.292e-02      2.037e-02      2.378e-02   CaSO4                      ( -2.34, -0.11)
+           CH2O      4.214e-03      2.473e-03      5.798e-03   CH2O                       (      ,      )
+       Goethite      9.845e-04      5.123e-04      1.415e-03   FeOOH                      (      ,      )
+         Pyrite     -9.851e-04     -1.414e-03     -5.140e-04   FeS2                       (      ,      )
+           MgX2     -7.669e-03     -8.595e-03     -6.972e-03   MgX2                       (      ,      )
+            NaX      1.534e-02      1.394e-02      1.719e-02   NaX                        (      ,      )
+         Halite      1.531e-02      1.429e-02      1.633e-02   NaCl                       (-11.07, -5.09)
+        Sylvite      2.520e-03      2.392e-03      2.648e-03   KCl                        ( -9.47, -4.60)
 
 Redox mole transfers:    
-          Fe(3)      9.867e-04
-           H(0)     -1.177e-09
-          S(-2)     -2.235e-03
+          Fe(3)      9.845e-04
+           H(0)     -1.219e-09
+          S(-2)     -2.230e-03
 
-Sum of residuals (epsilons in documentation):         2.313e+00
-Sum of delta/uncertainty limit:                       4.445e+00
+Sum of residuals (epsilons in documentation):         2.315e+00
+Sum of delta/uncertainty limit:                       4.435e+00
 Maximum fractional error in element concentration:    5.000e-02
 
 Model contains minimum number of phases.
@@ -483,7 +488,7 @@ Solution 1: Recharge number 3
 
                          Input          Delta    Input+Delta
              pH      7.550e+00  +   0.000e+00  =   7.550e+00
-     Alkalinity      4.016e-03  +   1.063e-04  =   4.122e-03
+     Alkalinity      4.014e-03  +   1.077e-04  =   4.122e-03
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
            C(4)      4.300e-03  +   0.000e+00  =   4.300e-03
              Ca      1.200e-03  +   0.000e+00  =   1.200e-03
@@ -507,17 +512,17 @@ Solution 2: Mysse
 
                          Input          Delta    Input+Delta
              pH      6.610e+00  +   0.000e+00  =   6.610e+00
-     Alkalinity      5.286e-03  +   0.000e+00  =   5.286e-03
+     Alkalinity      5.294e-03  +   0.000e+00  =   5.294e-03
           C(-4)      0.000e+00  +   0.000e+00  =   0.000e+00
-           C(4)      6.870e-03  +  -3.426e-04  =   6.527e-03
+           C(4)      6.870e-03  +  -3.383e-04  =   6.532e-03
              Ca      1.128e-02  +   0.000e+00  =   1.128e-02
              Cl      1.785e-02  +   0.000e+00  =   1.785e-02
           Fe(2)      4.000e-07  +   0.000e+00  =   4.000e-07
           Fe(3)      0.000e+00  +   0.000e+00  =   0.000e+00
-           H(0)      1.177e-09  +   0.000e+00  =   1.177e-09
+           H(0)      1.219e-09  +   0.000e+00  =   1.219e-09
               K      2.540e-03  +   0.000e+00  =   2.540e-03
              Mg      4.540e-03  +   0.000e+00  =   4.540e-03
-             Na      3.189e-02  +  -1.229e-03  =   3.066e-02
+             Na      3.189e-02  +  -1.221e-03  =   3.067e-02
            O(0)      0.000e+00  +   0.000e+00  =   0.000e+00
           S(-2)      2.600e-04  +   0.000e+00  =   2.600e-04
            S(6)      1.986e-02  +   9.930e-04  =   2.085e-02
@@ -530,7 +535,7 @@ Solution 2: Mysse
 Isotopic composition of phases:
    13C Dolomite              3  +           2  =           5
     13C Calcite           -1.5  +          -1  =        -2.5
-  34S Anhydrite           13.5  +   -0.146069  =     13.3539
+  34S Anhydrite           13.5  +   -0.146689  =     13.3533
        13C CH2O            -25  +           5  =         -20
      34S Pyrite            -22  +           2  =         -20
 
@@ -539,24 +544,24 @@ Solution fractions:                   Minimum        Maximum
    Solution   2      1.000e+00      1.000e+00      1.000e+00
 
 Phase mole transfers:                 Minimum        Maximum   Formula             (Approximate SI in solution 1, 2 at 336 K,   1 atm)
-       Dolomite      5.446e-03      4.995e-03      5.842e-03   CaMg(CO3)2                 (  1.06,  0.49)
-        Calcite     -1.215e-02     -1.337e-02     -1.066e-02   CaCO3                      (  0.46,  0.44)
-      Anhydrite      2.254e-02      2.037e-02      2.298e-02   CaSO4                      ( -2.35, -0.07)
-           CH2O      3.488e-03      2.482e-03      4.301e-03   CH2O                       (      ,      )
-       Goethite      7.909e-04      5.146e-04      1.016e-03   FeOOH                      (      ,      )
-         Pyrite     -7.915e-04     -1.015e-03     -5.163e-04   FeS2                       (      ,      )
-   Ca.75Mg.25X2     -7.665e-03     -8.591e-03     -6.972e-03   Ca.75Mg.25X2               (      ,      )
-            NaX      1.533e-02      1.394e-02      1.718e-02   NaX                        (      ,      )
-         Halite      1.531e-02      1.429e-02      1.633e-02   NaCl                       (-11.07, -5.06)
-        Sylvite      2.520e-03      2.392e-03      2.648e-03   KCl                        ( -9.47, -4.57)
+       Dolomite      5.447e-03      4.995e-03      5.843e-03   CaMg(CO3)2                 (  1.07,  0.54)
+        Calcite     -1.215e-02     -1.336e-02     -1.066e-02   CaCO3                      (  0.47,  0.46)
+      Anhydrite      2.254e-02      2.037e-02      2.298e-02   CaSO4                      ( -2.34, -0.11)
+           CH2O      3.489e-03      2.473e-03      4.302e-03   CH2O                       (      ,      )
+       Goethite      7.911e-04      5.123e-04      1.016e-03   FeOOH                      (      ,      )
+         Pyrite     -7.917e-04     -1.016e-03     -5.140e-04   FeS2                       (      ,      )
+   Ca.75Mg.25X2     -7.669e-03     -8.595e-03     -6.972e-03   Ca.75Mg.25X2               (      ,      )
+            NaX      1.534e-02      1.394e-02      1.719e-02   NaX                        (      ,      )
+         Halite      1.531e-02      1.429e-02      1.633e-02   NaCl                       (-11.07, -5.09)
+        Sylvite      2.520e-03      2.392e-03      2.648e-03   KCl                        ( -9.47, -4.60)
 
 Redox mole transfers:    
-          Fe(3)      7.909e-04
-           H(0)     -1.177e-09
+          Fe(3)      7.911e-04
+           H(0)     -1.219e-09
           S(-2)     -1.843e-03
 
-Sum of residuals (epsilons in documentation):         3.321e+00
-Sum of delta/uncertainty limit:                       7.370e+00
+Sum of residuals (epsilons in documentation):         3.311e+00
+Sum of delta/uncertainty limit:                       7.361e+00
 Maximum fractional error in element concentration:    5.000e-02
 
 Model contains minimum number of phases.
diff --git a/phreeqc3-examples/ex19.out b/phreeqc3-examples/ex19.out
index 32b57c60..c2e5f346 100644
--- a/phreeqc3-examples/ex19.out
+++ b/phreeqc3-examples/ex19.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
diff --git a/phreeqc3-examples/ex19b.out b/phreeqc3-examples/ex19b.out
index effb8a87..b006a676 100644
--- a/phreeqc3-examples/ex19b.out
+++ b/phreeqc3-examples/ex19b.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
diff --git a/phreeqc3-examples/ex2.out b/phreeqc3-examples/ex2.out
index ef3ccc3c..84e5f510 100644
--- a/phreeqc3-examples/ex2.out
+++ b/phreeqc3-examples/ex2.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -136,10 +137,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.855e-01
 
                                        pH  =   7.066      Charge balance
                                        pe  =  10.745      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 2269
-                          Density (g/cm³)  =   0.99907
-                               Volume (L)  =   0.96736
-                        Viscosity (mPa s)  =   0.89989
+      Specific Conductance (µS/cm,  25°C)  = 2485
+                          Density (g/cm³)  =   0.99901
+                               Volume (L)  =   0.96742
+                        Viscosity (mPa s)  =   0.89855
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.174e-02
                        Mass of water (kg)  =   9.645e-01
@@ -164,17 +165,17 @@ Ca            1.505e-02
    CaSO4           4.611e-03   4.656e-03    -2.336    -2.332     0.004      7.50
    CaOH+           1.200e-08   9.980e-09    -7.921    -8.001    -0.080     (0)  
    CaHSO4+         3.161e-09   2.629e-09    -8.500    -8.580    -0.080     (0)  
-H(0)          3.354e-39
-   H2              1.677e-39   1.693e-39   -38.776   -38.771     0.004     28.61
-O(0)          2.879e-15
-   O2              1.439e-15   1.453e-15   -14.842   -14.838     0.004     30.40
+H(0)          3.347e-39
+   H2              1.674e-39   1.690e-39   -38.776   -38.772     0.004     28.61
+O(0)          2.889e-15
+   O2              1.445e-15   1.458e-15   -14.840   -14.836     0.004     30.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -118.112  -118.196    -0.084     20.77
-   H2S             0.000e+00   0.000e+00  -118.325  -118.320     0.004     36.27
-   S-2             0.000e+00   0.000e+00  -123.736  -124.048    -0.312     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -237.923  -237.919     0.004     30.09
+   HS-             0.000e+00   0.000e+00  -118.115  -118.199    -0.084     20.77
+   H2S             0.000e+00   0.000e+00  -118.328  -118.324     0.004     36.27
+   S-2             0.000e+00   0.000e+00  -123.739  -124.051    -0.312     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -237.929  -237.925     0.004     30.09
 S(6)          1.505e-02
-   SO4-2           1.043e-02   5.067e-03    -1.982    -2.295    -0.314     15.44
+   SO4-2           1.043e-02   5.067e-03    -1.982    -2.295    -0.314     21.14
    CaSO4           4.611e-03   4.656e-03    -2.336    -2.332     0.004      7.50
    HSO4-           5.088e-08   4.231e-08    -7.293    -7.374    -0.080     40.44
    CaHSO4+         3.161e-09   2.629e-09    -8.500    -8.580    -0.080     (0)  
@@ -187,8 +188,8 @@ S(6)          1.505e-02
   Gypsum            0.00     -4.58   -4.58  CaSO4:2H2O
   H2(g)           -35.67    -38.77   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  H2S(g)         -117.33   -125.26   -7.94  H2S
-  O2(g)           -11.95    -14.84   -2.89  O2
+  H2S(g)         -117.33   -125.27   -7.94  H2S
+  O2(g)           -11.94    -14.84   -2.89  O2
   Sulfur          -87.58    -82.70    4.88  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -219,10 +220,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.854e-01
 
                                        pH  =   7.052      Charge balance
                                        pe  =  10.676      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  26°C)  = 2320
-                          Density (g/cm³)  =   0.99882
-                               Volume (L)  =   0.96762
-                        Viscosity (mPa s)  =   0.87981
+      Specific Conductance (µS/cm,  26°C)  = 2545
+                          Density (g/cm³)  =   0.99876
+                               Volume (L)  =   0.96768
+                        Viscosity (mPa s)  =   0.87847
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.180e-02
                        Mass of water (kg)  =   9.645e-01
@@ -257,7 +258,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -123.192  -123.505    -0.313     (0)  
    (H2S)2          0.000e+00   0.000e+00  -236.857  -236.853     0.004     30.05
 S(6)          1.509e-02
-   SO4-2           1.045e-02   5.066e-03    -1.981    -2.295    -0.314     15.57
+   SO4-2           1.045e-02   5.066e-03    -1.981    -2.295    -0.314     21.26
    CaSO4           4.645e-03   4.690e-03    -2.333    -2.329     0.004      7.54
    HSO4-           5.369e-08   4.462e-08    -7.270    -7.350    -0.080     40.50
    CaHSO4+         3.335e-09   2.772e-09    -8.477    -8.557    -0.080     (0)  
@@ -302,10 +303,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.854e-01
 
                                        pH  =   7.039      Charge balance
                                        pe  =  10.607      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  27°C)  = 2370
-                          Density (g/cm³)  =   0.99855
-                               Volume (L)  =   0.96789
-                        Viscosity (mPa s)  =   0.86044
+      Specific Conductance (µS/cm,  27°C)  = 2606
+                          Density (g/cm³)  =   0.99849
+                               Volume (L)  =   0.96794
+                        Viscosity (mPa s)  =   0.85909
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.185e-02
                        Mass of water (kg)  =   9.645e-01
@@ -340,7 +341,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -122.649  -122.963    -0.313     (0)  
    (H2S)2          0.000e+00   0.000e+00  -235.792  -235.787     0.004     30.00
 S(6)          1.514e-02
-   SO4-2           1.046e-02   5.065e-03    -1.980    -2.295    -0.315     15.69
+   SO4-2           1.046e-02   5.065e-03    -1.980    -2.295    -0.315     21.37
    CaSO4           4.677e-03   4.722e-03    -2.330    -2.326     0.004      7.57
    HSO4-           5.663e-08   4.705e-08    -7.247    -7.327    -0.080     40.57
    CaHSO4+         3.517e-09   2.922e-09    -8.454    -8.534    -0.080     (0)  
@@ -385,10 +386,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.854e-01
 
                                        pH  =   7.025      Charge balance
                                        pe  =  10.539      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  28°C)  = 2420
-                          Density (g/cm³)  =   0.99827
-                               Volume (L)  =   0.96816
-                        Viscosity (mPa s)  =   0.84175
+      Specific Conductance (µS/cm,  28°C)  = 2667
+                          Density (g/cm³)  =   0.99821
+                               Volume (L)  =   0.96822
+                        Viscosity (mPa s)  =   0.84040
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.189e-02
                        Mass of water (kg)  =   9.645e-01
@@ -413,17 +414,17 @@ Ca            1.518e-02
    CaSO4           4.708e-03   4.754e-03    -2.327    -2.323     0.004      7.61
    CaOH+           1.094e-08   9.082e-09    -7.961    -8.042    -0.081     (0)  
    CaHSO4+         3.708e-09   3.080e-09    -8.431    -8.511    -0.081     (0)  
-H(0)          1.013e-38
-   H2              5.063e-39   5.112e-39   -38.296   -38.291     0.004     28.60
-O(0)          2.870e-15
-   O2              1.435e-15   1.449e-15   -14.843   -14.839     0.004     30.63
+H(0)          1.011e-38
+   H2              5.056e-39   5.105e-39   -38.296   -38.292     0.004     28.60
+O(0)          2.877e-15
+   O2              1.439e-15   1.452e-15   -14.842   -14.838     0.004     30.63
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -116.539  -116.624    -0.085     20.89
-   H2S             0.000e+00   0.000e+00  -116.750  -116.745     0.004     36.98
-   S-2             0.000e+00   0.000e+00  -122.114  -122.428    -0.314     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -234.741  -234.737     0.004     29.96
+   HS-             0.000e+00   0.000e+00  -116.541  -116.626    -0.085     20.89
+   H2S             0.000e+00   0.000e+00  -116.752  -116.748     0.004     36.98
+   S-2             0.000e+00   0.000e+00  -122.116  -122.430    -0.314     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -234.746  -234.742     0.004     29.96
 S(6)          1.518e-02
-   SO4-2           1.047e-02   5.063e-03    -1.980    -2.296    -0.316     15.80
+   SO4-2           1.047e-02   5.063e-03    -1.980    -2.296    -0.316     21.48
    CaSO4           4.708e-03   4.754e-03    -2.327    -2.323     0.004      7.61
    HSO4-           5.973e-08   4.961e-08    -7.224    -7.304    -0.081     40.63
    CaHSO4+         3.708e-09   3.080e-09    -8.431    -8.511    -0.081     (0)  
@@ -437,7 +438,7 @@ S(6)          1.518e-02
   H2(g)           -35.18    -38.29   -3.11  H2
   H2O(g)           -1.43     -0.00    1.43  H2O
   H2S(g)         -115.72   -123.65   -7.93  H2S
-  O2(g)           -11.93    -14.84   -2.91  O2
+  O2(g)           -11.92    -14.84   -2.91  O2
   Sulfur          -86.43    -81.62    4.81  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -468,10 +469,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   7.012      Charge balance
                                        pe  =  10.472      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  29°C)  = 2470
-                          Density (g/cm³)  =   0.99799
-                               Volume (L)  =   0.96844
-                        Viscosity (mPa s)  =   0.82371
+      Specific Conductance (µS/cm,  29°C)  = 2727
+                          Density (g/cm³)  =   0.99793
+                               Volume (L)  =   0.96850
+                        Viscosity (mPa s)  =   0.82236
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.193e-02
                        Mass of water (kg)  =   9.645e-01
@@ -496,17 +497,17 @@ Ca            1.522e-02
    CaSO4           4.738e-03   4.783e-03    -2.324    -2.320     0.004      7.64
    CaOH+           1.060e-08   8.803e-09    -7.975    -8.055    -0.081     (0)  
    CaHSO4+         3.908e-09   3.244e-09    -8.408    -8.489    -0.081     (0)  
-H(0)          1.451e-38
-   H2              7.256e-39   7.326e-39   -38.139   -38.135     0.004     28.60
-O(0)          2.887e-15
-   O2              1.444e-15   1.458e-15   -14.841   -14.836     0.004     30.70
+H(0)          1.452e-38
+   H2              7.258e-39   7.329e-39   -38.139   -38.135     0.004     28.60
+O(0)          2.886e-15
+   O2              1.443e-15   1.457e-15   -14.841   -14.837     0.004     30.70
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -116.028  -116.113    -0.085     20.93
-   H2S             0.000e+00   0.000e+00  -116.238  -116.233     0.004     37.21
-   S-2             0.000e+00   0.000e+00  -121.587  -121.901    -0.315     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -233.707  -233.703     0.004     29.91
+   HS-             0.000e+00   0.000e+00  -116.027  -116.112    -0.085     20.93
+   H2S             0.000e+00   0.000e+00  -116.237  -116.233     0.004     37.21
+   S-2             0.000e+00   0.000e+00  -121.586  -121.901    -0.315     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -233.706  -233.702     0.004     29.91
 S(6)          1.522e-02
-   SO4-2           1.048e-02   5.060e-03    -1.980    -2.296    -0.316     15.91
+   SO4-2           1.048e-02   5.060e-03    -1.980    -2.296    -0.316     21.58
    CaSO4           4.738e-03   4.783e-03    -2.324    -2.320     0.004      7.64
    HSO4-           6.298e-08   5.228e-08    -7.201    -7.282    -0.081     40.69
    CaHSO4+         3.908e-09   3.244e-09    -8.408    -8.489    -0.081     (0)  
@@ -517,11 +518,11 @@ S(6)          1.522e-02
 
   Anhydrite        -0.26     -4.58   -4.32  CaSO4
   Gypsum            0.00     -4.58   -4.58  CaSO4:2H2O
-  H2(g)           -35.03    -38.14   -3.11  H2
+  H2(g)           -35.03    -38.13   -3.11  H2
   H2O(g)           -1.40     -0.00    1.40  H2O
   H2S(g)         -115.20   -123.12   -7.93  H2S
   O2(g)           -11.92    -14.84   -2.92  O2
-  Sulfur          -86.06    -81.27    4.79  S
+  Sulfur          -86.05    -81.27    4.79  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -551,10 +552,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   6.999      Charge balance
                                        pe  =  10.404      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  30°C)  = 2521
-                          Density (g/cm³)  =   0.99769
-                               Volume (L)  =   0.96874
-                        Viscosity (mPa s)  =   0.80628
+      Specific Conductance (µS/cm,  30°C)  = 2788
+                          Density (g/cm³)  =   0.99763
+                               Volume (L)  =   0.96879
+                        Viscosity (mPa s)  =   0.80493
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.196e-02
                        Mass of water (kg)  =   9.645e-01
@@ -579,17 +580,17 @@ Ca            1.526e-02
    CaSO4           4.766e-03   4.812e-03    -2.322    -2.318     0.004      7.68
    CaOH+           1.028e-08   8.533e-09    -7.988    -8.069    -0.081     (0)  
    CaHSO4+         4.117e-09   3.416e-09    -8.385    -8.466    -0.081     (0)  
-H(0)          2.086e-38
-   H2              1.043e-38   1.053e-38   -37.982   -37.977     0.004     28.60
-O(0)          2.873e-15
-   O2              1.436e-15   1.450e-15   -14.843   -14.839     0.004     30.77
+H(0)          2.087e-38
+   H2              1.044e-38   1.054e-38   -37.981   -37.977     0.004     28.60
+O(0)          2.871e-15
+   O2              1.436e-15   1.449e-15   -14.843   -14.839     0.004     30.77
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -115.511  -115.596    -0.085     20.97
+   HS-             0.000e+00   0.000e+00  -115.510  -115.595    -0.085     20.97
    H2S             0.000e+00   0.000e+00  -115.719  -115.715     0.004     37.42
-   S-2             0.000e+00   0.000e+00  -121.054  -121.369    -0.315     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -232.660  -232.656     0.004     29.87
+   S-2             0.000e+00   0.000e+00  -121.053  -121.368    -0.315     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -232.659  -232.655     0.004     29.87
 S(6)          1.526e-02
-   SO4-2           1.049e-02   5.056e-03    -1.979    -2.296    -0.317     16.01
+   SO4-2           1.049e-02   5.056e-03    -1.979    -2.296    -0.317     21.68
    CaSO4           4.766e-03   4.812e-03    -2.322    -2.318     0.004      7.68
    HSO4-           6.639e-08   5.509e-08    -7.178    -7.259    -0.081     40.74
    CaHSO4+         4.117e-09   3.416e-09    -8.385    -8.466    -0.081     (0)  
@@ -634,10 +635,10 @@ Gypsum            0.00    -4.58     -4.58    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   6.986      Charge balance
                                        pe  =  10.338      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  31°C)  = 2571
-                          Density (g/cm³)  =   0.99739
-                               Volume (L)  =   0.96904
-                        Viscosity (mPa s)  =   0.78944
+      Specific Conductance (µS/cm,  31°C)  = 2849
+                          Density (g/cm³)  =   0.99733
+                               Volume (L)  =   0.96909
+                        Viscosity (mPa s)  =   0.78810
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.198e-02
                        Mass of water (kg)  =   9.645e-01
@@ -662,17 +663,17 @@ Ca            1.529e-02
    CaSO4           4.792e-03   4.839e-03    -2.319    -2.315     0.004      7.71
    CaOH+           9.972e-09   8.273e-09    -8.001    -8.082    -0.081     (0)  
    CaHSO4+         4.335e-09   3.596e-09    -8.363    -8.444    -0.081     (0)  
-H(0)          2.976e-38
-   H2              1.488e-38   1.503e-38   -37.827   -37.823     0.004     28.60
-O(0)          2.890e-15
-   O2              1.445e-15   1.459e-15   -14.840   -14.836     0.004     30.84
+H(0)          2.975e-38
+   H2              1.488e-38   1.502e-38   -37.827   -37.823     0.004     28.60
+O(0)          2.892e-15
+   O2              1.446e-15   1.460e-15   -14.840   -14.836     0.004     30.84
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -115.007  -115.092    -0.085     21.00
-   H2S             0.000e+00   0.000e+00  -115.214  -115.210     0.004     37.64
-   S-2             0.000e+00   0.000e+00  -120.533  -120.849    -0.316     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -231.640  -231.635     0.004     29.82
+   H2S             0.000e+00   0.000e+00  -115.215  -115.210     0.004     37.64
+   S-2             0.000e+00   0.000e+00  -120.534  -120.850    -0.316     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -231.641  -231.636     0.004     29.82
 S(6)          1.529e-02
-   SO4-2           1.050e-02   5.052e-03    -1.979    -2.297    -0.318     16.11
+   SO4-2           1.050e-02   5.052e-03    -1.979    -2.297    -0.318     21.77
    CaSO4           4.792e-03   4.839e-03    -2.319    -2.315     0.004      7.71
    HSO4-           6.997e-08   5.804e-08    -7.155    -7.236    -0.081     40.80
    CaHSO4+         4.335e-09   3.596e-09    -8.363    -8.444    -0.081     (0)  
@@ -717,10 +718,10 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.973      Charge balance
                                        pe  =  10.271      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  32°C)  = 2620
-                          Density (g/cm³)  =   0.99708
-                               Volume (L)  =   0.96935
-                        Viscosity (mPa s)  =   0.77316
+      Specific Conductance (µS/cm,  32°C)  = 2910
+                          Density (g/cm³)  =   0.99702
+                               Volume (L)  =   0.96940
+                        Viscosity (mPa s)  =   0.77182
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.200e-02
                        Mass of water (kg)  =   9.645e-01
@@ -755,7 +756,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -120.006  -120.323    -0.316     (0)  
    (H2S)2          0.000e+00   0.000e+00  -230.605  -230.601     0.004     29.78
 S(6)          1.532e-02
-   SO4-2           1.050e-02   5.047e-03    -1.979    -2.297    -0.318     16.19
+   SO4-2           1.050e-02   5.047e-03    -1.979    -2.297    -0.318     21.85
    CaSO4           4.818e-03   4.864e-03    -2.317    -2.313     0.004      7.74
    HSO4-           7.372e-08   6.113e-08    -7.132    -7.214    -0.081     40.85
    CaHSO4+         4.563e-09   3.784e-09    -8.341    -8.422    -0.081     (0)  
@@ -800,10 +801,10 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.960      Charge balance
                                        pe  =  10.206      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  33°C)  = 2670
-                          Density (g/cm³)  =   0.99675
-                               Volume (L)  =   0.96966
-                        Viscosity (mPa s)  =   0.75742
+      Specific Conductance (µS/cm,  33°C)  = 2971
+                          Density (g/cm³)  =   0.99669
+                               Volume (L)  =   0.96972
+                        Viscosity (mPa s)  =   0.75608
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.201e-02
                        Mass of water (kg)  =   9.645e-01
@@ -838,7 +839,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -119.493  -119.810    -0.317     (0)  
    (H2S)2          0.000e+00   0.000e+00  -229.596  -229.592     0.004     29.73
 S(6)          1.534e-02
-   SO4-2           1.050e-02   5.042e-03    -1.979    -2.297    -0.319     16.27
+   SO4-2           1.050e-02   5.042e-03    -1.979    -2.297    -0.319     21.92
    CaSO4           4.841e-03   4.889e-03    -2.315    -2.311     0.004      7.77
    HSO4-           7.765e-08   6.436e-08    -7.110    -7.191    -0.081     40.90
    CaHSO4+         4.801e-09   3.980e-09    -8.319    -8.400    -0.081     (0)  
@@ -882,11 +883,11 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.852e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.947      Charge balance
-                                       pe  =  10.140      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  34°C)  = 2720
-                          Density (g/cm³)  =   0.99642
-                               Volume (L)  =   0.96999
-                        Viscosity (mPa s)  =   0.74219
+                                       pe  =  10.139      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  34°C)  = 3031
+                          Density (g/cm³)  =   0.99636
+                               Volume (L)  =   0.97005
+                        Viscosity (mPa s)  =   0.74085
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.201e-02
                        Mass of water (kg)  =   9.645e-01
@@ -911,17 +912,17 @@ Ca            1.537e-02
    CaSO4           4.864e-03   4.911e-03    -2.313    -2.309     0.004      7.80
    CaOH+           9.105e-09   7.545e-09    -8.041    -8.122    -0.082     (0)  
    CaHSO4+         5.049e-09   4.184e-09    -8.297    -8.378    -0.082     (0)  
-H(0)          8.610e-38
-   H2              4.305e-38   4.347e-38   -37.366   -37.362     0.004     28.60
-O(0)          2.881e-15
-   O2              1.440e-15   1.454e-15   -14.842   -14.837     0.004     31.04
+H(0)          8.628e-38
+   H2              4.314e-38   4.356e-38   -37.365   -37.361     0.004     28.60
+O(0)          2.869e-15
+   O2              1.434e-15   1.448e-15   -14.843   -14.839     0.004     31.04
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -113.496  -113.582    -0.086     21.10
-   H2S             0.000e+00   0.000e+00  -113.699  -113.695     0.004     38.25
-   S-2             0.000e+00   0.000e+00  -118.976  -119.293    -0.318     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -228.581  -228.577     0.004     29.68
+   HS-             0.000e+00   0.000e+00  -113.493  -113.579    -0.086     21.10
+   H2S             0.000e+00   0.000e+00  -113.696  -113.692     0.004     38.25
+   S-2             0.000e+00   0.000e+00  -118.972  -119.289    -0.318     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -228.574  -228.570     0.004     29.68
 S(6)          1.537e-02
-   SO4-2           1.050e-02   5.036e-03    -1.979    -2.298    -0.319     16.35
+   SO4-2           1.050e-02   5.036e-03    -1.979    -2.298    -0.319     21.99
    CaSO4           4.864e-03   4.911e-03    -2.313    -2.309     0.004      7.80
    HSO4-           8.176e-08   6.775e-08    -7.087    -7.169    -0.082     40.95
    CaHSO4+         5.049e-09   4.184e-09    -8.297    -8.378    -0.082     (0)  
@@ -934,7 +935,7 @@ S(6)          1.537e-02
   Gypsum            0.00     -4.59   -4.59  CaSO4:2H2O
   H2(g)           -34.24    -37.36   -3.12  H2
   H2O(g)           -1.28     -0.00    1.28  H2O
-  H2S(g)         -112.61   -120.53   -7.92  H2S
+  H2S(g)         -112.60   -120.53   -7.92  H2S
   O2(g)           -11.89    -14.84   -2.95  O2
   Sulfur          -84.20    -79.52    4.68  S
 
@@ -966,10 +967,10 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.935      Charge balance
                                        pe  =  10.074      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  35°C)  = 2769
-                          Density (g/cm³)  =   0.99608
-                               Volume (L)  =   0.97032
-                        Viscosity (mPa s)  =   0.72744
+      Specific Conductance (µS/cm,  35°C)  = 3092
+                          Density (g/cm³)  =   0.99603
+                               Volume (L)  =   0.97038
+                        Viscosity (mPa s)  =   0.72612
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.200e-02
                        Mass of water (kg)  =   9.645e-01
@@ -995,16 +996,16 @@ Ca            1.539e-02
    CaOH+           8.836e-09   7.319e-09    -8.054    -8.136    -0.082     (0)  
    CaHSO4+         5.308e-09   4.397e-09    -8.275    -8.357    -0.082     (0)  
 H(0)          1.222e-37
-   H2              6.109e-38   6.168e-38   -37.214   -37.210     0.004     28.60
-O(0)          2.875e-15
-   O2              1.437e-15   1.451e-15   -14.842   -14.838     0.004     31.10
+   H2              6.111e-38   6.170e-38   -37.214   -37.210     0.004     28.60
+O(0)          2.873e-15
+   O2              1.437e-15   1.451e-15   -14.843   -14.838     0.004     31.10
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -112.999  -113.085    -0.086     21.12
+   HS-             0.000e+00   0.000e+00  -112.998  -113.084    -0.086     21.12
    H2S             0.000e+00   0.000e+00  -113.200  -113.196     0.004     38.44
    S-2             0.000e+00   0.000e+00  -118.462  -118.780    -0.318     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -227.574  -227.569     0.004     29.63
+   (H2S)2          0.000e+00   0.000e+00  -227.572  -227.568     0.004     29.63
 S(6)          1.539e-02
-   SO4-2           1.050e-02   5.029e-03    -1.979    -2.299    -0.320     16.42
+   SO4-2           1.050e-02   5.029e-03    -1.979    -2.299    -0.320     22.06
    CaSO4           4.885e-03   4.932e-03    -2.311    -2.307     0.004      7.83
    HSO4-           8.607e-08   7.130e-08    -7.065    -7.147    -0.082     40.99
    CaHSO4+         5.308e-09   4.397e-09    -8.275    -8.357    -0.082     (0)  
@@ -1048,19 +1049,19 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.851e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.922      Charge balance
-                                       pe  =  10.010      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  36°C)  = 2818
-                          Density (g/cm³)  =   0.99574
-                               Volume (L)  =   0.97066
-                        Viscosity (mPa s)  =   0.71317
+                                       pe  =  10.009      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  36°C)  = 3153
+                          Density (g/cm³)  =   0.99568
+                               Volume (L)  =   0.97072
+                        Viscosity (mPa s)  =   0.71185
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.199e-02
                        Mass of water (kg)  =   9.645e-01
                  Total alkalinity (eq/kg)  =   1.261e-09
                          Temperature (°C)  =  36.00
-                  Electrical balance (eq)  =  -1.209e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  16
+                               Iterations  =  18
                                   Total H  = 1.070719e+02
                                   Total O  = 5.359535e+01
 
@@ -1077,17 +1078,17 @@ Ca            1.540e-02
    CaSO4           4.905e-03   4.952e-03    -2.309    -2.305     0.004      7.86
    CaOH+           8.576e-09   7.102e-09    -8.067    -8.149    -0.082     (0)  
    CaHSO4+         5.578e-09   4.619e-09    -8.254    -8.335    -0.082     (0)  
-H(0)          1.728e-37
-   H2              8.638e-38   8.722e-38   -37.064   -37.059     0.004     28.60
-O(0)          2.877e-15
-   O2              1.438e-15   1.452e-15   -14.842   -14.838     0.004     31.16
+H(0)          1.729e-37
+   H2              8.645e-38   8.729e-38   -37.063   -37.059     0.004     28.60
+O(0)          2.872e-15
+   O2              1.436e-15   1.450e-15   -14.843   -14.839     0.004     31.16
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -112.507  -112.593    -0.086     21.15
-   H2S             0.000e+00   0.000e+00  -112.707  -112.702     0.004     38.63
-   S-2             0.000e+00   0.000e+00  -117.955  -118.273    -0.319     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -226.577  -226.573     0.004     29.58
+   HS-             0.000e+00   0.000e+00  -112.505  -112.592    -0.086     21.15
+   H2S             0.000e+00   0.000e+00  -112.705  -112.701     0.004     38.63
+   S-2             0.000e+00   0.000e+00  -117.953  -118.272    -0.319     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -226.574  -226.570     0.004     29.58
 S(6)          1.540e-02
-   SO4-2           1.050e-02   5.021e-03    -1.979    -2.299    -0.320     16.48
+   SO4-2           1.050e-02   5.021e-03    -1.979    -2.299    -0.320     22.12
    CaSO4           4.905e-03   4.952e-03    -2.309    -2.305     0.004      7.86
    HSO4-           9.058e-08   7.501e-08    -7.043    -7.125    -0.082     41.04
    CaHSO4+         5.578e-09   4.619e-09    -8.254    -8.335    -0.082     (0)  
@@ -1100,7 +1101,7 @@ S(6)          1.540e-02
   Gypsum            0.00     -4.59   -4.59  CaSO4:2H2O
   H2(g)           -33.94    -37.06   -3.12  H2
   H2O(g)           -1.23     -0.00    1.23  H2O
-  H2S(g)         -111.60   -119.52   -7.92  H2S
+  H2S(g)         -111.59   -119.51   -7.92  H2S
   O2(g)           -11.88    -14.84   -2.96  O2
   Sulfur          -83.47    -78.84    4.63  S
 
@@ -1131,11 +1132,11 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.851e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.910      Charge balance
-                                       pe  =  -1.777      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  37°C)  = 2867
-                          Density (g/cm³)  =   0.99538
-                               Volume (L)  =   0.97101
-                        Viscosity (mPa s)  =   0.69934
+                                       pe  =  -1.778      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  37°C)  = 3213
+                          Density (g/cm³)  =   0.99532
+                               Volume (L)  =   0.97107
+                        Viscosity (mPa s)  =   0.69803
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.197e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1143,7 +1144,7 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.851e-01
                          Temperature (°C)  =  37.00
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  50
+                               Iterations  =  46
                                   Total H  = 1.070719e+02
                                   Total O  = 5.359542e+01
 
@@ -1160,17 +1161,17 @@ Ca            1.541e-02
    CaSO4           4.923e-03   4.971e-03    -2.308    -2.304     0.004      7.88
    CaOH+           8.325e-09   6.892e-09    -8.080    -8.162    -0.082     (0)  
    CaHSO4+         5.859e-09   4.850e-09    -8.232    -8.314    -0.082     (0)  
-H(0)          6.797e-14
-   H2              3.398e-14   3.431e-14   -13.469   -13.465     0.004     28.60
+H(0)          6.798e-14
+   H2              3.399e-14   3.432e-14   -13.469   -13.464     0.004     28.60
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -61.733   -61.728     0.004     31.22
-S(-2)         9.473e-19
-   HS-             5.797e-19   4.752e-19   -18.237   -18.323    -0.086     21.17
-   H2S             3.676e-19   3.712e-19   -18.435   -18.430     0.004     38.82
-   S-2             2.142e-24   1.028e-24   -23.669   -23.988    -0.319     (0)  
-   (H2S)2          9.464e-39   9.556e-39   -38.024   -38.020     0.004     29.53
+   O2              0.000e+00   0.000e+00   -61.733   -61.729     0.004     31.22
+S(-2)         9.482e-19
+   HS-             5.803e-19   4.757e-19   -18.236   -18.323    -0.086     21.17
+   H2S             3.679e-19   3.715e-19   -18.434   -18.430     0.004     38.82
+   S-2             2.144e-24   1.029e-24   -23.669   -23.988    -0.319     (0)  
+   (H2S)2          9.483e-39   9.575e-39   -38.023   -38.019     0.004     29.53
 S(6)          1.541e-02
-   SO4-2           1.049e-02   5.013e-03    -1.979    -2.300    -0.321     16.54
+   SO4-2           1.049e-02   5.013e-03    -1.979    -2.300    -0.321     22.17
    CaSO4           4.923e-03   4.971e-03    -2.308    -2.304     0.004      7.88
    HSO4-           9.530e-08   7.889e-08    -7.021    -7.103    -0.082     41.08
    CaHSO4+         5.859e-09   4.850e-09    -8.232    -8.314    -0.082     (0)  
@@ -1215,10 +1216,10 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.898      Charge balance
                                        pe  =   9.881      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  38°C)  = 2916
-                          Density (g/cm³)  =   0.99502
-                               Volume (L)  =   0.97137
-                        Viscosity (mPa s)  =   0.68594
+      Specific Conductance (µS/cm,  38°C)  = 3273
+                          Density (g/cm³)  =   0.99496
+                               Volume (L)  =   0.97143
+                        Viscosity (mPa s)  =   0.68464
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.194e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1243,17 +1244,17 @@ Ca            1.543e-02
    CaSO4           4.940e-03   4.988e-03    -2.306    -2.302     0.004      7.91
    CaOH+           8.083e-09   6.689e-09    -8.092    -8.175    -0.082     (0)  
    CaHSO4+         6.152e-09   5.091e-09    -8.211    -8.293    -0.082     (0)  
-H(0)          3.435e-37
-   H2              1.718e-37   1.734e-37   -36.765   -36.761     0.004     28.59
-O(0)          2.873e-15
-   O2              1.436e-15   1.450e-15   -14.843   -14.839     0.004     31.28
+H(0)          3.434e-37
+   H2              1.717e-37   1.734e-37   -36.765   -36.761     0.004     28.59
+O(0)          2.874e-15
+   O2              1.437e-15   1.451e-15   -14.842   -14.838     0.004     31.28
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -111.531  -111.617    -0.086     21.19
-   H2S             0.000e+00   0.000e+00  -111.727  -111.722     0.004     39.00
-   S-2             0.000e+00   0.000e+00  -116.947  -117.267    -0.320     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -224.599  -224.595     0.004     29.47
+   HS-             0.000e+00   0.000e+00  -111.531  -111.618    -0.086     21.19
+   H2S             0.000e+00   0.000e+00  -111.727  -111.723     0.004     39.00
+   S-2             0.000e+00   0.000e+00  -116.948  -117.268    -0.320     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -224.600  -224.596     0.004     29.47
 S(6)          1.543e-02
-   SO4-2           1.049e-02   5.005e-03    -1.979    -2.301    -0.321     16.59
+   SO4-2           1.049e-02   5.005e-03    -1.979    -2.301    -0.321     22.22
    CaSO4           4.940e-03   4.988e-03    -2.306    -2.302     0.004      7.91
    HSO4-           1.002e-07   8.295e-08    -6.999    -7.081    -0.082     41.12
    CaHSO4+         6.152e-09   5.091e-09    -8.211    -8.293    -0.082     (0)  
@@ -1266,7 +1267,7 @@ S(6)          1.543e-02
   Gypsum            0.00     -4.59   -4.59  CaSO4:2H2O
   H2(g)           -33.64    -36.76   -3.13  H2
   H2O(g)           -1.18     -0.00    1.18  H2O
-  H2S(g)         -110.60   -118.51   -7.92  H2S
+  H2S(g)         -110.60   -118.52   -7.92  H2S
   O2(g)           -11.86    -14.84   -2.97  O2
   Sulfur          -82.76    -78.17    4.59  S
 
@@ -1298,10 +1299,10 @@ Gypsum            0.00    -4.59     -4.59    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.886      Charge balance
                                        pe  =   9.848      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  39°C)  = 2964
-                          Density (g/cm³)  =   0.99465
-                               Volume (L)  =   0.97173
-                        Viscosity (mPa s)  =   0.67295
+      Specific Conductance (µS/cm,  39°C)  = 3333
+                          Density (g/cm³)  =   0.99459
+                               Volume (L)  =   0.97179
+                        Viscosity (mPa s)  =   0.67166
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.191e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1336,7 +1337,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -116.693  -117.013    -0.320     (0)  
    (H2S)2          0.000e+00   0.000e+00  -224.107  -224.103     0.004     29.42
 S(6)          1.543e-02
-   SO4-2           1.048e-02   4.995e-03    -1.980    -2.301    -0.322     16.63
+   SO4-2           1.048e-02   4.995e-03    -1.980    -2.301    -0.322     22.26
    CaSO4           4.955e-03   5.003e-03    -2.305    -2.301     0.004      7.94
    HSO4-           1.054e-07   8.720e-08    -6.977    -7.060    -0.082     41.15
    CaHSO4+         6.456e-09   5.341e-09    -8.190    -8.272    -0.082     (0)  
@@ -1380,11 +1381,11 @@ Gypsum            0.00    -4.60     -4.60    1.000e+00   1.985e+00   9.851e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.874      Charge balance
-                                       pe  =   9.755      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  40°C)  = 3012
-                          Density (g/cm³)  =   0.99427
-                               Volume (L)  =   0.97211
-                        Viscosity (mPa s)  =   0.66036
+                                       pe  =   9.754      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  40°C)  = 3392
+                          Density (g/cm³)  =   0.99421
+                               Volume (L)  =   0.97216
+                        Viscosity (mPa s)  =   0.65908
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.187e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1409,17 +1410,17 @@ Ca            1.544e-02
    CaSO4           4.969e-03   5.017e-03    -2.304    -2.300     0.004      7.96
    CaOH+           7.624e-09   6.306e-09    -8.118    -8.200    -0.082     (0)  
    CaHSO4+         6.773e-09   5.602e-09    -8.169    -8.252    -0.082     (0)  
-H(0)          6.740e-37
-   H2              3.370e-37   3.403e-37   -36.472   -36.468     0.004     28.59
-O(0)          2.896e-15
-   O2              1.448e-15   1.462e-15   -14.839   -14.835     0.004     31.40
+H(0)          6.742e-37
+   H2              3.371e-37   3.404e-37   -36.472   -36.468     0.004     28.59
+O(0)          2.894e-15
+   O2              1.447e-15   1.461e-15   -14.840   -14.835     0.004     31.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -110.576  -110.662    -0.087     21.23
+   HS-             0.000e+00   0.000e+00  -110.575  -110.662    -0.087     21.23
    H2S             0.000e+00   0.000e+00  -110.767  -110.763     0.004     39.35
-   S-2             0.000e+00   0.000e+00  -115.961  -116.282    -0.320     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -222.663  -222.659     0.004     29.37
+   S-2             0.000e+00   0.000e+00  -115.961  -116.281    -0.320     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -222.662  -222.658     0.004     29.37
 S(6)          1.544e-02
-   SO4-2           1.047e-02   4.985e-03    -1.980    -2.302    -0.322     16.67
+   SO4-2           1.047e-02   4.985e-03    -1.980    -2.302    -0.322     22.30
    CaSO4           4.969e-03   5.017e-03    -2.304    -2.300     0.004      7.96
    HSO4-           1.108e-07   9.163e-08    -6.956    -7.038    -0.082     41.19
    CaHSO4+         6.773e-09   5.602e-09    -8.169    -8.252    -0.082     (0)  
@@ -1434,7 +1435,7 @@ S(6)          1.544e-02
   H2O(g)           -1.14     -0.00    1.14  H2O
   H2S(g)         -109.62   -117.54   -7.92  H2S
   O2(g)           -11.85    -14.84   -2.98  O2
-  Sulfur          -82.06    -77.51    4.55  S
+  Sulfur          -82.05    -77.51    4.55  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1464,10 +1465,10 @@ Gypsum            0.00    -4.60     -4.60    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.862      Charge balance
                                        pe  =   9.691      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  41°C)  = 3060
-                          Density (g/cm³)  =   0.99388
-                               Volume (L)  =   0.97248
-                        Viscosity (mPa s)  =   0.64814
+      Specific Conductance (µS/cm,  41°C)  = 3452
+                          Density (g/cm³)  =   0.99382
+                               Volume (L)  =   0.97254
+                        Viscosity (mPa s)  =   0.64688
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.182e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1492,17 +1493,17 @@ Ca            1.544e-02
    CaSO4           4.982e-03   5.030e-03    -2.303    -2.298     0.004      7.99
    CaOH+           7.407e-09   6.124e-09    -8.130    -8.213    -0.083     (0)  
    CaHSO4+         7.102e-09   5.872e-09    -8.149    -8.231    -0.083     (0)  
-H(0)          9.462e-37
-   H2              4.731e-37   4.777e-37   -36.325   -36.321     0.004     28.59
-O(0)          2.876e-15
-   O2              1.438e-15   1.452e-15   -14.842   -14.838     0.004     31.46
+H(0)          9.453e-37
+   H2              4.727e-37   4.772e-37   -36.325   -36.321     0.004     28.59
+O(0)          2.881e-15
+   O2              1.441e-15   1.455e-15   -14.841   -14.837     0.004     31.46
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -110.093  -110.180    -0.087     21.25
-   H2S             0.000e+00   0.000e+00  -110.283  -110.279     0.004     39.52
-   S-2             0.000e+00   0.000e+00  -115.464  -115.785    -0.321     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -221.686  -221.681     0.004     29.31
+   HS-             0.000e+00   0.000e+00  -110.095  -110.182    -0.087     21.25
+   H2S             0.000e+00   0.000e+00  -110.285  -110.280     0.004     39.52
+   S-2             0.000e+00   0.000e+00  -115.465  -115.786    -0.321     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -221.689  -221.685     0.004     29.31
 S(6)          1.544e-02
-   SO4-2           1.046e-02   4.975e-03    -1.981    -2.303    -0.323     16.71
+   SO4-2           1.046e-02   4.975e-03    -1.981    -2.303    -0.323     22.33
    CaSO4           4.982e-03   5.030e-03    -2.303    -2.298     0.004      7.99
    HSO4-           1.164e-07   9.626e-08    -6.934    -7.017    -0.083     41.22
    CaHSO4+         7.102e-09   5.872e-09    -8.149    -8.231    -0.083     (0)  
@@ -1547,10 +1548,10 @@ Gypsum            0.00    -4.60     -4.60    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.850      Charge balance
                                        pe  =   9.628      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  42°C)  = 3108
-                          Density (g/cm³)  =   0.99348
-                               Volume (L)  =   0.97287
-                        Viscosity (mPa s)  =   0.63629
+      Specific Conductance (µS/cm,  42°C)  = 3511
+                          Density (g/cm³)  =   0.99343
+                               Volume (L)  =   0.97293
+                        Viscosity (mPa s)  =   0.63504
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.177e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1580,12 +1581,12 @@ H(0)          1.318e-36
 O(0)          2.890e-15
    O2              1.445e-15   1.459e-15   -14.840   -14.836     0.004     31.51
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -109.625  -109.712    -0.087     21.27
+   HS-             0.000e+00   0.000e+00  -109.625  -109.712    -0.087     21.26
    H2S             0.000e+00   0.000e+00  -109.812  -109.808     0.004     39.69
    S-2             0.000e+00   0.000e+00  -114.980  -115.301    -0.321     (0)  
    (H2S)2          0.000e+00   0.000e+00  -220.735  -220.731     0.004     29.26
 S(6)          1.544e-02
-   SO4-2           1.044e-02   4.964e-03    -1.981    -2.304    -0.323     16.74
+   SO4-2           1.044e-02   4.964e-03    -1.981    -2.304    -0.323     22.35
    CaSO4           4.993e-03   5.042e-03    -2.302    -2.297     0.004      8.01
    HSO4-           1.223e-07   1.011e-07    -6.913    -6.995    -0.083     41.26
    CaHSO4+         7.443e-09   6.153e-09    -8.128    -8.211    -0.083     (0)  
@@ -1630,10 +1631,10 @@ Gypsum            0.00    -4.60     -4.60    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.839      Charge balance
                                        pe  =   9.566      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  43°C)  = 3155
-                          Density (g/cm³)  =   0.99308
-                               Volume (L)  =   0.97326
-                        Viscosity (mPa s)  =   0.62478
+      Specific Conductance (µS/cm,  43°C)  = 3570
+                          Density (g/cm³)  =   0.99302
+                               Volume (L)  =   0.97332
+                        Viscosity (mPa s)  =   0.62355
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.171e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1658,17 +1659,17 @@ Ca            1.543e-02
    CaSO4           5.003e-03   5.052e-03    -2.301    -2.297     0.004      8.04
    CaHSO4+         7.798e-09   6.445e-09    -8.108    -8.191    -0.083     (0)  
    CaOH+           6.994e-09   5.780e-09    -8.155    -8.238    -0.083     (0)  
-H(0)          1.839e-36
-   H2              9.196e-37   9.285e-37   -36.036   -36.032     0.004     28.59
-O(0)          2.879e-15
-   O2              1.439e-15   1.453e-15   -14.842   -14.838     0.004     31.57
+H(0)          1.840e-36
+   H2              9.199e-37   9.288e-37   -36.036   -36.032     0.004     28.59
+O(0)          2.877e-15
+   O2              1.439e-15   1.452e-15   -14.842   -14.838     0.004     31.57
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -109.151  -109.238    -0.087     21.28
    H2S             0.000e+00   0.000e+00  -109.336  -109.332     0.004     39.86
-   S-2             0.000e+00   0.000e+00  -114.491  -114.813    -0.322     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -219.775  -219.771     0.004     29.20
+   S-2             0.000e+00   0.000e+00  -114.490  -114.812    -0.322     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -219.774  -219.770     0.004     29.20
 S(6)          1.543e-02
-   SO4-2           1.043e-02   4.952e-03    -1.982    -2.305    -0.323     16.77
+   SO4-2           1.043e-02   4.952e-03    -1.982    -2.305    -0.323     22.38
    CaSO4           5.003e-03   5.052e-03    -2.301    -2.297     0.004      8.04
    HSO4-           1.284e-07   1.061e-07    -6.891    -6.974    -0.083     41.29
    CaHSO4+         7.798e-09   6.445e-09    -8.108    -8.191    -0.083     (0)  
@@ -1713,10 +1714,10 @@ Gypsum            0.00    -4.60     -4.60    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.827      Charge balance
                                        pe  =   9.503      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  44°C)  = 3201
-                          Density (g/cm³)  =   0.99267
-                               Volume (L)  =   0.97367
-                        Viscosity (mPa s)  =   0.61361
+      Specific Conductance (µS/cm,  44°C)  = 3628
+                          Density (g/cm³)  =   0.99261
+                               Volume (L)  =   0.97372
+                        Viscosity (mPa s)  =   0.61239
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.165e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1741,17 +1742,17 @@ Ca            1.542e-02
    CaSO4           5.012e-03   5.060e-03    -2.300    -2.296     0.004      8.06
    CaHSO4+         8.167e-09   6.747e-09    -8.088    -8.171    -0.083     (0)  
    CaOH+           6.799e-09   5.617e-09    -8.168    -8.250    -0.083     (0)  
-H(0)          2.558e-36
-   H2              1.279e-36   1.292e-36   -35.893   -35.889     0.004     28.59
-O(0)          2.875e-15
-   O2              1.438e-15   1.451e-15   -14.842   -14.838     0.004     31.62
+H(0)          2.560e-36
+   H2              1.280e-36   1.292e-36   -35.893   -35.889     0.004     28.59
+O(0)          2.872e-15
+   O2              1.436e-15   1.450e-15   -14.843   -14.839     0.004     31.62
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -108.683  -108.770    -0.087     21.29
-   H2S             0.000e+00   0.000e+00  -108.866  -108.862     0.004     40.02
-   S-2             0.000e+00   0.000e+00  -114.007  -114.330    -0.322     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -218.827  -218.822     0.004     29.14
+   HS-             0.000e+00   0.000e+00  -108.682  -108.769    -0.087     21.29
+   H2S             0.000e+00   0.000e+00  -108.865  -108.861     0.004     40.02
+   S-2             0.000e+00   0.000e+00  -114.006  -114.329    -0.322     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -218.824  -218.820     0.004     29.14
 S(6)          1.542e-02
-   SO4-2           1.041e-02   4.940e-03    -1.982    -2.306    -0.324     16.79
+   SO4-2           1.041e-02   4.940e-03    -1.982    -2.306    -0.324     22.39
    CaSO4           5.012e-03   5.060e-03    -2.300    -2.296     0.004      8.06
    HSO4-           1.348e-07   1.114e-07    -6.870    -6.953    -0.083     41.32
    CaHSO4+         8.167e-09   6.747e-09    -8.088    -8.171    -0.083     (0)  
@@ -1796,10 +1797,10 @@ Gypsum            0.00    -4.61     -4.61    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.816      Charge balance
                                        pe  =   9.442      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  45°C)  = 3248
-                          Density (g/cm³)  =   0.99225
-                               Volume (L)  =   0.97407
-                        Viscosity (mPa s)  =   0.60276
+      Specific Conductance (µS/cm,  45°C)  = 3686
+                          Density (g/cm³)  =   0.99220
+                               Volume (L)  =   0.97413
+                        Viscosity (mPa s)  =   0.60156
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.158e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1826,7 +1827,7 @@ Ca            1.541e-02
    CaOH+           6.610e-09   5.460e-09    -8.180    -8.263    -0.083     (0)  
 H(0)          3.538e-36
    H2              1.769e-36   1.786e-36   -35.752   -35.748     0.004     28.59
-O(0)          2.894e-15
+O(0)          2.893e-15
    O2              1.447e-15   1.461e-15   -14.840   -14.835     0.004     31.67
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -108.225  -108.312    -0.087     21.30
@@ -1834,7 +1835,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -113.534  -113.856    -0.323     (0)  
    (H2S)2          0.000e+00   0.000e+00  -217.897  -217.893     0.004     29.09
 S(6)          1.541e-02
-   SO4-2           1.040e-02   4.927e-03    -1.983    -2.307    -0.324     16.81
+   SO4-2           1.040e-02   4.927e-03    -1.983    -2.307    -0.324     22.41
    CaSO4           5.019e-03   5.068e-03    -2.299    -2.295     0.004      8.08
    HSO4-           1.415e-07   1.169e-07    -6.849    -6.932    -0.083     41.35
    CaHSO4+         8.549e-09   7.061e-09    -8.068    -8.151    -0.083     (0)  
@@ -1879,10 +1880,10 @@ Gypsum            0.00    -4.61     -4.61    1.000e+00   1.985e+00   9.851e-01
 
                                        pH  =   6.805      Charge balance
                                        pe  =   9.381      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  46°C)  = 3294
-                          Density (g/cm³)  =   0.99183
-                               Volume (L)  =   0.97449
-                        Viscosity (mPa s)  =   0.59222
+      Specific Conductance (µS/cm,  46°C)  = 3744
+                          Density (g/cm³)  =   0.99177
+                               Volume (L)  =   0.97454
+                        Viscosity (mPa s)  =   0.59103
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.151e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1907,17 +1908,17 @@ Ca            1.540e-02
    CaSO4           5.025e-03   5.073e-03    -2.299    -2.295     0.004      8.11
    CaHSO4+         8.945e-09   7.386e-09    -8.048    -8.132    -0.083     (0)  
    CaOH+           6.428e-09   5.308e-09    -8.192    -8.275    -0.083     (0)  
-H(0)          4.904e-36
-   H2              2.452e-36   2.475e-36   -35.611   -35.606     0.004     28.59
-O(0)          2.887e-15
-   O2              1.444e-15   1.458e-15   -14.841   -14.836     0.004     31.72
+H(0)          4.905e-36
+   H2              2.453e-36   2.476e-36   -35.610   -35.606     0.004     28.59
+O(0)          2.886e-15
+   O2              1.443e-15   1.457e-15   -14.841   -14.837     0.004     31.72
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -107.762  -107.850    -0.087     21.31
-   H2S             0.000e+00   0.000e+00  -107.940  -107.936     0.004     40.33
-   S-2             0.000e+00   0.000e+00  -113.056  -113.379    -0.323     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -216.959  -216.955     0.004     29.03
+   HS-             0.000e+00   0.000e+00  -107.762  -107.849    -0.087     21.31
+   H2S             0.000e+00   0.000e+00  -107.939  -107.935     0.004     40.33
+   S-2             0.000e+00   0.000e+00  -113.055  -113.378    -0.323     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -216.958  -216.954     0.004     29.03
 S(6)          1.540e-02
-   SO4-2           1.038e-02   4.914e-03    -1.984    -2.309    -0.325     16.82
+   SO4-2           1.038e-02   4.914e-03    -1.984    -2.309    -0.325     22.42
    CaSO4           5.025e-03   5.073e-03    -2.299    -2.295     0.004      8.11
    HSO4-           1.485e-07   1.226e-07    -6.828    -6.912    -0.083     41.37
    CaHSO4+         8.945e-09   7.386e-09    -8.048    -8.132    -0.083     (0)  
@@ -1962,10 +1963,10 @@ Gypsum            0.00    -4.61     -4.61    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.794      Charge balance
                                        pe  =   9.319      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  47°C)  = 3339
-                          Density (g/cm³)  =   0.99140
-                               Volume (L)  =   0.97491
-                        Viscosity (mPa s)  =   0.58198
+      Specific Conductance (µS/cm,  47°C)  = 3801
+                          Density (g/cm³)  =   0.99134
+                               Volume (L)  =   0.97497
+                        Viscosity (mPa s)  =   0.58080
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.142e-02
                        Mass of water (kg)  =   9.645e-01
@@ -1990,17 +1991,17 @@ Ca            1.539e-02
    CaSO4           5.030e-03   5.078e-03    -2.298    -2.294     0.004      8.13
    CaHSO4+         9.355e-09   7.723e-09    -8.029    -8.112    -0.083     (0)  
    CaOH+           6.252e-09   5.162e-09    -8.204    -8.287    -0.083     (0)  
-H(0)          6.791e-36
-   H2              3.396e-36   3.428e-36   -35.469   -35.465     0.004     28.59
-O(0)          2.874e-15
-   O2              1.437e-15   1.451e-15   -14.843   -14.838     0.004     31.77
+H(0)          6.790e-36
+   H2              3.395e-36   3.427e-36   -35.469   -35.465     0.004     28.59
+O(0)          2.875e-15
+   O2              1.438e-15   1.451e-15   -14.842   -14.838     0.004     31.77
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -107.300  -107.388    -0.087     21.32
-   H2S             0.000e+00   0.000e+00  -107.475  -107.471     0.004     40.48
-   S-2             0.000e+00   0.000e+00  -112.579  -112.902    -0.323     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -216.022  -216.018     0.004     28.97
+   HS-             0.000e+00   0.000e+00  -107.301  -107.388    -0.087     21.32
+   H2S             0.000e+00   0.000e+00  -107.476  -107.472     0.004     40.48
+   S-2             0.000e+00   0.000e+00  -112.579  -112.903    -0.323     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -216.023  -216.019     0.004     28.97
 S(6)          1.539e-02
-   SO4-2           1.036e-02   4.900e-03    -1.985    -2.310    -0.325     16.82
+   SO4-2           1.036e-02   4.900e-03    -1.985    -2.310    -0.325     22.42
    CaSO4           5.030e-03   5.078e-03    -2.298    -2.294     0.004      8.13
    HSO4-           1.557e-07   1.286e-07    -6.808    -6.891    -0.083     41.40
    CaHSO4+         9.355e-09   7.723e-09    -8.029    -8.112    -0.083     (0)  
@@ -2011,11 +2012,11 @@ S(6)          1.539e-02
 
   Anhydrite        -0.07     -4.61   -4.54  CaSO4
   Gypsum            0.00     -4.61   -4.61  CaSO4:2H2O
-  H2(g)           -32.33    -35.46   -3.13  H2
+  H2(g)           -32.33    -35.47   -3.13  H2
   H2O(g)           -0.98     -0.00    0.98  H2O
   H2S(g)         -106.27   -114.18   -7.91  H2S
   O2(g)           -11.82    -14.84   -3.02  O2
-  Sulfur          -79.65    -75.24    4.40  S
+  Sulfur          -79.65    -75.25    4.40  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2044,11 +2045,11 @@ Gypsum            0.00    -4.61     -4.61    1.000e+00   1.985e+00   9.852e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.783      Charge balance
-                                       pe  =   9.288      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  48°C)  = 3384
-                          Density (g/cm³)  =   0.99096
-                               Volume (L)  =   0.97534
-                        Viscosity (mPa s)  =   0.57202
+                                       pe  =   9.215      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  48°C)  = 3858
+                          Density (g/cm³)  =   0.99090
+                               Volume (L)  =   0.97540
+                        Viscosity (mPa s)  =   0.57086
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.134e-02
                        Mass of water (kg)  =   9.645e-01
@@ -2073,17 +2074,17 @@ Ca            1.537e-02
    CaSO4           5.033e-03   5.081e-03    -2.298    -2.294     0.004      8.15
    CaHSO4+         9.781e-09   8.072e-09    -8.010    -8.093    -0.083     (0)  
    CaOH+           6.083e-09   5.020e-09    -8.216    -8.299    -0.083     (0)  
-H(0)          8.174e-36
-   H2              4.087e-36   4.126e-36   -35.389   -35.384     0.004     28.59
-O(0)          3.771e-15
-   O2              1.886e-15   1.904e-15   -14.725   -14.720     0.004     31.83
+H(0)          1.144e-35
+   H2              5.722e-36   5.777e-36   -35.242   -35.238     0.004     28.59
+O(0)          1.924e-15
+   O2              9.621e-16   9.713e-16   -15.017   -15.013     0.004     31.83
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -107.082  -107.169    -0.088     21.33
-   H2S             0.000e+00   0.000e+00  -107.254  -107.250     0.004     40.63
-   S-2             0.000e+00   0.000e+00  -112.345  -112.669    -0.324     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -215.572  -215.568     0.004     28.91
+   HS-             0.000e+00   0.000e+00  -106.497  -106.585    -0.088     21.33
+   H2S             0.000e+00   0.000e+00  -106.670  -106.665     0.004     40.63
+   S-2             0.000e+00   0.000e+00  -111.760  -112.084    -0.324     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -214.403  -214.399     0.004     28.91
 S(6)          1.537e-02
-   SO4-2           1.033e-02   4.886e-03    -1.986    -2.311    -0.325     16.83
+   SO4-2           1.033e-02   4.886e-03    -1.986    -2.311    -0.325     22.42
    CaSO4           5.033e-03   5.081e-03    -2.298    -2.294     0.004      8.15
    HSO4-           1.633e-07   1.348e-07    -6.787    -6.870    -0.083     41.42
    CaHSO4+         9.781e-09   8.072e-09    -8.010    -8.093    -0.083     (0)  
@@ -2094,11 +2095,11 @@ S(6)          1.537e-02
 
   Anhydrite        -0.06     -4.61   -4.55  CaSO4
   Gypsum            0.00     -4.61   -4.61  CaSO4:2H2O
-  H2(g)           -32.25    -35.38   -3.14  H2
+  H2(g)           -32.10    -35.24   -3.14  H2
   H2O(g)           -0.96     -0.00    0.96  H2O
-  H2S(g)         -106.04   -113.95   -7.91  H2S
-  O2(g)           -11.70    -14.72   -3.02  O2
-  Sulfur          -79.49    -75.11    4.38  S
+  H2S(g)         -105.45   -113.37   -7.91  H2S
+  O2(g)           -11.99    -15.01   -3.02  O2
+  Sulfur          -79.05    -74.67    4.38  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2128,10 +2129,10 @@ Gypsum            0.00    -4.62     -4.62    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.773      Charge balance
                                        pe  =   9.197      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  49°C)  = 3429
-                          Density (g/cm³)  =   0.99051
-                               Volume (L)  =   0.97578
-                        Viscosity (mPa s)  =   0.56234
+      Specific Conductance (µS/cm,  49°C)  = 3914
+                          Density (g/cm³)  =   0.99045
+                               Volume (L)  =   0.97583
+                        Viscosity (mPa s)  =   0.56120
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.125e-02
                        Mass of water (kg)  =   9.645e-01
@@ -2157,16 +2158,16 @@ Ca            1.535e-02
    CaHSO4+         1.022e-08   8.434e-09    -7.991    -8.074    -0.083     (0)  
    CaOH+           5.919e-09   4.884e-09    -8.228    -8.311    -0.083     (0)  
 H(0)          1.294e-35
-   H2              6.471e-36   6.533e-36   -35.189   -35.185     0.004     28.59
-O(0)          2.849e-15
-   O2              1.424e-15   1.438e-15   -14.846   -14.842     0.004     31.88
+   H2              6.469e-36   6.531e-36   -35.189   -35.185     0.004     28.59
+O(0)          2.851e-15
+   O2              1.425e-15   1.439e-15   -14.846   -14.842     0.004     31.88
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -106.386  -106.474    -0.088     21.33
+   HS-             0.000e+00   0.000e+00  -106.387  -106.474    -0.088     21.33
    H2S             0.000e+00   0.000e+00  -106.556  -106.552     0.004     40.78
-   S-2             0.000e+00   0.000e+00  -111.634  -111.958    -0.324     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -214.168  -214.164     0.004     28.84
+   S-2             0.000e+00   0.000e+00  -111.635  -111.959    -0.324     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -214.169  -214.165     0.004     28.84
 S(6)          1.535e-02
-   SO4-2           1.031e-02   4.872e-03    -1.987    -2.312    -0.326     16.83
+   SO4-2           1.031e-02   4.872e-03    -1.987    -2.312    -0.326     22.42
    CaSO4           5.035e-03   5.083e-03    -2.298    -2.294     0.004      8.17
    HSO4-           1.711e-07   1.412e-07    -6.767    -6.850    -0.083     41.44
    CaHSO4+         1.022e-08   8.434e-09    -7.991    -8.074    -0.083     (0)  
@@ -2177,7 +2178,7 @@ S(6)          1.535e-02
 
   Anhydrite        -0.05     -4.62   -4.56  CaSO4
   Gypsum            0.00     -4.62   -4.62  CaSO4:2H2O
-  H2(g)           -32.05    -35.18   -3.14  H2
+  H2(g)           -32.05    -35.19   -3.14  H2
   H2O(g)           -0.94     -0.00    0.94  H2O
   H2S(g)         -105.33   -113.25   -7.91  H2S
   O2(g)           -11.82    -14.84   -3.03  O2
@@ -2211,18 +2212,18 @@ Gypsum            0.00    -4.62     -4.62    1.000e+00   1.985e+00   9.852e-01
 
                                        pH  =   6.762      Charge balance
                                        pe  =  -1.655      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 3473
-                          Density (g/cm³)  =   0.99006
-                               Volume (L)  =   0.97622
-                        Viscosity (mPa s)  =   0.55292
+      Specific Conductance (µS/cm,  50°C)  = 3970
+                          Density (g/cm³)  =   0.99000
+                               Volume (L)  =   0.97627
+                        Viscosity (mPa s)  =   0.55180
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.115e-02
                        Mass of water (kg)  =   9.645e-01
                  Total alkalinity (eq/kg)  =   1.261e-09
                          Temperature (°C)  =  50.00
-                  Electrical balance (eq)  =  -1.217e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  48
+                               Iterations  =  44
                                   Total H  = 1.070716e+02
                                   Total O  = 5.359489e+01
 
@@ -2239,17 +2240,17 @@ Ca            1.532e-02
    CaSO4           5.036e-03   5.084e-03    -2.298    -2.294     0.004      8.19
    CaHSO4+         1.068e-08   8.808e-09    -7.972    -8.055    -0.084     (0)  
    CaOH+           5.761e-09   4.752e-09    -8.240    -8.323    -0.084     (0)  
-H(0)          6.798e-14
-   H2              3.399e-14   3.432e-14   -13.469   -13.465     0.004     28.59
+H(0)          6.797e-14
+   H2              3.399e-14   3.431e-14   -13.469   -13.465     0.004     28.59
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -58.012   -58.007     0.004     31.92
-S(-2)         4.156e-20
-   HS-             2.472e-20   2.020e-20   -19.607   -19.695    -0.088     21.34
-   H2S             1.684e-20   1.700e-20   -19.774   -19.770     0.004     40.92
-   S-2             1.446e-25   6.853e-26   -24.840   -25.164    -0.324     (0)  
+   O2              0.000e+00   0.000e+00   -58.011   -58.007     0.004     31.92
+S(-2)         4.152e-20
+   HS-             2.470e-20   2.018e-20   -19.607   -19.695    -0.088     21.34
+   H2S             1.682e-20   1.698e-20   -19.774   -19.770     0.004     40.92
+   S-2             1.445e-25   6.847e-26   -24.840   -25.164    -0.324     (0)  
    (H2S)2          0.000e+00   0.000e+00   -40.597   -40.593     0.004     28.78
 S(6)          1.532e-02
-   SO4-2           1.029e-02   4.856e-03    -1.988    -2.314    -0.326     16.82
+   SO4-2           1.029e-02   4.856e-03    -1.988    -2.314    -0.326     22.41
    CaSO4           5.036e-03   5.084e-03    -2.298    -2.294     0.004      8.19
    HSO4-           1.793e-07   1.479e-07    -6.746    -6.830    -0.084     41.46
    CaHSO4+         1.068e-08   8.808e-09    -7.972    -8.055    -0.084     (0)  
@@ -2264,7 +2265,7 @@ S(6)          1.532e-02
   H2O(g)           -0.92     -0.00    0.92  H2O
   H2S(g)          -18.54    -26.46   -7.91  H2S
   O2(g)           -54.98    -58.01   -3.03  O2
-  Sulfur          -13.90     -9.55    4.34  S
+  Sulfur          -13.90     -9.56    4.34  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2293,19 +2294,19 @@ Gypsum            0.00    -4.62     -4.62    1.000e+00   1.985e+00   9.852e-01
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.752      Charge balance
-                                       pe  =   9.078      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  51°C)  = 3517
-                          Density (g/cm³)  =   0.98960
-                               Volume (L)  =   0.97667
-                        Viscosity (mPa s)  =   0.54376
+                                       pe  =  -2.096      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  51°C)  = 4025
+                          Density (g/cm³)  =   0.98954
+                               Volume (L)  =   0.97672
+                        Viscosity (mPa s)  =   0.54265
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.105e-02
                        Mass of water (kg)  =   9.645e-01
                  Total alkalinity (eq/kg)  =   1.261e-09
                          Temperature (°C)  =  51.00
-                  Electrical balance (eq)  =  -1.217e-09
+                  Electrical balance (eq)  =  -1.208e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  17
+                               Iterations  =  47
                                   Total H  = 1.070714e+02
                                   Total O  = 5.359474e+01
 
@@ -2322,17 +2323,17 @@ Ca            1.530e-02
    CaSO4           5.036e-03   5.083e-03    -2.298    -2.294     0.004      8.21
    CaHSO4+         1.115e-08   9.194e-09    -7.953    -8.036    -0.084     (0)  
    CaOH+           5.608e-09   4.625e-09    -8.251    -8.335    -0.084     (0)  
-H(0)          2.423e-35
-   H2              1.212e-35   1.223e-35   -34.917   -34.912     0.004     28.59
-O(0)          2.880e-15
-   O2              1.440e-15   1.454e-15   -14.842   -14.838     0.004     31.97
-S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -105.501  -105.588    -0.088     21.34
-   H2S             0.000e+00   0.000e+00  -105.665  -105.661     0.004     41.06
-   S-2             0.000e+00   0.000e+00  -110.718  -111.043    -0.325     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -212.371  -212.367     0.004     28.72
+H(0)          5.384e-13
+   H2              2.692e-13   2.718e-13   -12.570   -12.566     0.004     28.59
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -59.535   -59.531     0.004     31.97
+S(-2)         1.297e-16
+   HS-             7.693e-17   6.285e-17   -16.114   -16.202    -0.088     21.34
+   H2S             5.273e-17   5.323e-17   -16.278   -16.274     0.004     41.06
+   S-2             4.659e-22   2.206e-22   -21.332   -21.656    -0.325     (0)  
+   (H2S)2          2.524e-34   2.548e-34   -33.598   -33.594     0.004     28.72
 S(6)          1.530e-02
-   SO4-2           1.026e-02   4.841e-03    -1.989    -2.315    -0.326     16.81
+   SO4-2           1.026e-02   4.841e-03    -1.989    -2.315    -0.326     22.40
    CaSO4           5.036e-03   5.083e-03    -2.298    -2.294     0.004      8.21
    HSO4-           1.879e-07   1.549e-07    -6.726    -6.810    -0.084     41.48
    CaHSO4+         1.115e-08   9.194e-09    -7.953    -8.036    -0.084     (0)  
@@ -2343,11 +2344,11 @@ S(6)          1.530e-02
 
   Anhydrite        -0.03     -4.62   -4.59  CaSO4
   Gypsum            0.00     -4.62   -4.62  CaSO4:2H2O
-  H2(g)           -31.78    -34.91   -3.14  H2
+  H2(g)            -9.43    -12.57   -3.14  H2
   H2O(g)           -0.89     -0.00    0.89  H2O
-  H2S(g)         -104.43   -112.34   -7.91  H2S
-  O2(g)           -11.80    -14.84   -3.03  O2
-  Sulfur          -78.32    -74.00    4.32  S
+  H2S(g)          -15.04    -22.95   -7.91  H2S
+  O2(g)           -56.50    -59.53   -3.03  O2
+  Sulfur          -11.28     -6.96    4.32  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2377,10 +2378,10 @@ Gypsum            0.00    -4.63     -4.63    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   6.742      Charge balance
                                        pe  =   9.047      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  52°C)  = 3560
-                          Density (g/cm³)  =   0.98913
-                               Volume (L)  =   0.97712
-                        Viscosity (mPa s)  =   0.53485
+      Specific Conductance (µS/cm,  52°C)  = 4079
+                          Density (g/cm³)  =   0.98908
+                               Volume (L)  =   0.97718
+                        Viscosity (mPa s)  =   0.53376
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.094e-02
                        Mass of water (kg)  =   9.645e-01
@@ -2405,17 +2406,17 @@ Ca            1.527e-02
    CaSO4           5.034e-03   5.082e-03    -2.298    -2.294     0.004      8.23
    CaHSO4+         1.163e-08   9.594e-09    -7.934    -8.018    -0.084     (0)  
    CaOH+           5.460e-09   4.503e-09    -8.263    -8.347    -0.084     (0)  
-H(0)          2.901e-35
-   H2              1.451e-35   1.464e-35   -34.838   -34.834     0.004     28.59
-O(0)          3.761e-15
-   O2              1.880e-15   1.898e-15   -14.726   -14.722     0.004     32.02
+H(0)          2.900e-35
+   H2              1.450e-35   1.464e-35   -34.839   -34.835     0.004     28.59
+O(0)          3.763e-15
+   O2              1.882e-15   1.899e-15   -14.725   -14.721     0.004     32.02
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -105.289  -105.377    -0.088     21.34
-   H2S             0.000e+00   0.000e+00  -105.450  -105.446     0.004     41.20
-   S-2             0.000e+00   0.000e+00  -110.492  -110.817    -0.325     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -211.936  -211.932     0.004     28.65
+   HS-             0.000e+00   0.000e+00  -105.290  -105.378    -0.088     21.34
+   H2S             0.000e+00   0.000e+00  -105.451  -105.447     0.004     41.20
+   S-2             0.000e+00   0.000e+00  -110.493  -110.818    -0.325     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -211.937  -211.933     0.004     28.65
 S(6)          1.527e-02
-   SO4-2           1.023e-02   4.825e-03    -1.990    -2.317    -0.327     16.80
+   SO4-2           1.023e-02   4.825e-03    -1.990    -2.317    -0.327     22.38
    CaSO4           5.034e-03   5.082e-03    -2.298    -2.294     0.004      8.23
    HSO4-           1.967e-07   1.622e-07    -6.706    -6.790    -0.084     41.50
    CaHSO4+         1.163e-08   9.594e-09    -7.934    -8.018    -0.084     (0)  
@@ -2428,7 +2429,7 @@ S(6)          1.527e-02
   Gypsum            0.00     -4.63   -4.63  CaSO4:2H2O
   H2(g)           -31.70    -34.83   -3.14  H2
   H2O(g)           -0.87     -0.00    0.87  H2O
-  H2S(g)         -104.20   -112.12   -7.91  H2S
+  H2S(g)         -104.21   -112.12   -7.91  H2S
   O2(g)           -11.68    -14.72   -3.04  O2
   Sulfur          -78.17    -73.87    4.30  S
 
@@ -2460,10 +2461,10 @@ Gypsum            0.00    -4.63     -4.63    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   6.732      Charge balance
                                        pe  =   8.915      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  53°C)  = 3602
-                          Density (g/cm³)  =   0.98866
-                               Volume (L)  =   0.97759
-                        Viscosity (mPa s)  =   0.52617
+      Specific Conductance (µS/cm,  53°C)  = 4134
+                          Density (g/cm³)  =   0.98860
+                               Volume (L)  =   0.97764
+                        Viscosity (mPa s)  =   0.52510
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.083e-02
                        Mass of water (kg)  =   9.645e-01
@@ -2488,17 +2489,17 @@ Ca            1.524e-02
    CaSO4           5.031e-03   5.078e-03    -2.298    -2.294     0.004      8.25
    CaHSO4+         1.214e-08   1.001e-08    -7.916    -8.000    -0.084     (0)  
    CaOH+           5.318e-09   4.384e-09    -8.274    -8.358    -0.084     (0)  
-H(0)          5.522e-35
-   H2              2.761e-35   2.787e-35   -34.559   -34.555     0.004     28.59
-O(0)          1.936e-15
-   O2              9.678e-16   9.770e-16   -15.014   -15.010     0.004     32.07
+H(0)          5.523e-35
+   H2              2.761e-35   2.788e-35   -34.559   -34.555     0.004     28.59
+O(0)          1.935e-15
+   O2              9.674e-16   9.766e-16   -15.014   -15.010     0.004     32.07
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -104.272  -104.360    -0.088     21.34
    H2S             0.000e+00   0.000e+00  -104.430  -104.426     0.004     41.34
-   S-2             0.000e+00   0.000e+00  -109.460  -109.785    -0.325     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -209.889  -209.885     0.004     28.59
+   S-2             0.000e+00   0.000e+00  -109.459  -109.785    -0.325     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -209.888  -209.884     0.004     28.59
 S(6)          1.524e-02
-   SO4-2           1.021e-02   4.808e-03    -1.991    -2.318    -0.327     16.78
+   SO4-2           1.021e-02   4.808e-03    -1.991    -2.318    -0.327     22.36
    CaSO4           5.031e-03   5.078e-03    -2.298    -2.294     0.004      8.25
    HSO4-           2.059e-07   1.698e-07    -6.686    -6.770    -0.084     41.52
    CaHSO4+         1.214e-08   1.001e-08    -7.916    -8.000    -0.084     (0)  
@@ -2543,18 +2544,18 @@ Gypsum            0.00    -4.63     -4.63    1.000e+00   1.985e+00   9.853e-01
 
                                        pH  =   6.722      Charge balance
                                        pe  =  -1.622      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  54°C)  = 3644
-                          Density (g/cm³)  =   0.98818
-                               Volume (L)  =   0.97806
-                        Viscosity (mPa s)  =   0.51773
+      Specific Conductance (µS/cm,  54°C)  = 4187
+                          Density (g/cm³)  =   0.98812
+                               Volume (L)  =   0.97811
+                        Viscosity (mPa s)  =   0.51666
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.071e-02
                        Mass of water (kg)  =   9.645e-01
                  Total alkalinity (eq/kg)  =   1.261e-09
                          Temperature (°C)  =  54.00
-                  Electrical balance (eq)  =  -1.217e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  47
+                               Iterations  =  53
                                   Total H  = 1.070711e+02
                                   Total O  = 5.359420e+01
 
@@ -2576,12 +2577,12 @@ H(0)          6.798e-14
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -56.926   -56.922     0.004     32.11
 S(-2)         1.656e-20
-   HS-             9.742e-21   7.955e-21   -20.011   -20.099    -0.088     21.34
-   H2S             6.815e-21   6.879e-21   -20.167   -20.162     0.004     41.47
-   S-2             6.549e-26   3.095e-26   -25.184   -25.509    -0.326     (0)  
-   (H2S)2          0.000e+00   0.000e+00   -41.355   -41.350     0.004     28.52
+   HS-             9.743e-21   7.956e-21   -20.011   -20.099    -0.088     21.34
+   H2S             6.816e-21   6.880e-21   -20.166   -20.162     0.004     41.47
+   S-2             6.550e-26   3.095e-26   -25.184   -25.509    -0.326     (0)  
+   (H2S)2          0.000e+00   0.000e+00   -41.354   -41.350     0.004     28.52
 S(6)          1.520e-02
-   SO4-2           1.018e-02   4.791e-03    -1.992    -2.320    -0.327     16.76
+   SO4-2           1.018e-02   4.791e-03    -1.992    -2.320    -0.327     22.34
    CaSO4           5.027e-03   5.074e-03    -2.299    -2.295     0.004      8.27
    HSO4-           2.155e-07   1.777e-07    -6.666    -6.750    -0.084     41.53
    CaHSO4+         1.266e-08   1.043e-08    -7.898    -7.982    -0.084     (0)  
@@ -2626,10 +2627,10 @@ Gypsum           -0.01    -4.64     -4.63    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.711      Charge balance
                                        pe  =   8.832      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  55°C)  = 3653
-                          Density (g/cm³)  =   0.98767
-                               Volume (L)  =   1.05111
-                        Viscosity (mPa s)  =   0.50945
+      Specific Conductance (µS/cm,  55°C)  = 4201
+                          Density (g/cm³)  =   0.98762
+                               Volume (L)  =   1.05117
+                        Viscosity (mPa s)  =   0.50842
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.020e-02
                        Mass of water (kg)  =   1.036e+00
@@ -2654,17 +2655,17 @@ Ca            1.500e-02
    CaSO4           4.953e-03   4.999e-03    -2.305    -2.301     0.004      8.29
    CaHSO4+         1.303e-08   1.074e-08    -7.885    -7.969    -0.084     (0)  
    CaOH+           5.000e-09   4.123e-09    -8.301    -8.385    -0.084     (0)  
-H(0)          8.743e-35
-   H2              4.372e-35   4.412e-35   -34.359   -34.355     0.004     28.58
-O(0)          2.654e-15
-   O2              1.327e-15   1.339e-15   -14.877   -14.873     0.004     32.16
+H(0)          8.750e-35
+   H2              4.375e-35   4.416e-35   -34.359   -34.355     0.004     28.58
+O(0)          2.650e-15
+   O2              1.325e-15   1.337e-15   -14.878   -14.874     0.004     32.16
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -103.677  -103.764    -0.088     21.34
-   H2S             0.000e+00   0.000e+00  -103.828  -103.824     0.004     41.61
-   S-2             0.000e+00   0.000e+00  -108.836  -109.160    -0.325     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -208.670  -208.666     0.004     28.46
+   HS-             0.000e+00   0.000e+00  -103.675  -103.763    -0.088     21.34
+   H2S             0.000e+00   0.000e+00  -103.826  -103.822     0.004     41.61
+   S-2             0.000e+00   0.000e+00  -108.834  -109.159    -0.325     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -208.667  -208.663     0.004     28.46
 S(6)          1.500e-02
-   SO4-2           1.005e-02   4.742e-03    -1.998    -2.324    -0.326     16.73
+   SO4-2           1.005e-02   4.742e-03    -1.998    -2.324    -0.326     22.28
    CaSO4           4.953e-03   4.999e-03    -2.305    -2.301     0.004      8.29
    HSO4-           2.242e-07   1.849e-07    -6.649    -6.733    -0.084     41.54
    CaHSO4+         1.303e-08   1.074e-08    -7.885    -7.969    -0.084     (0)  
@@ -2675,10 +2676,10 @@ S(6)          1.500e-02
 
   Anhydrite         0.00     -4.64   -4.64  CaSO4
   Gypsum           -0.01     -4.64   -4.63  CaSO4:2H2O
-  H2(g)           -31.22    -34.36   -3.14  H2
+  H2(g)           -31.22    -34.35   -3.14  H2
   H2O(g)           -0.81     -0.00    0.81  H2O
-  H2S(g)         -102.56   -110.48   -7.92  H2S
-  O2(g)           -11.82    -14.87   -3.05  O2
+  H2S(g)         -102.56   -110.47   -7.92  H2S
+  O2(g)           -11.83    -14.87   -3.05  O2
   Sulfur          -76.98    -72.74    4.25  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -2708,11 +2709,11 @@ Gypsum           -0.02    -4.65     -4.64    1.000e+00           0  -1.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.700      Charge balance
-                                       pe  =   8.775      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  56°C)  = 3641
-                          Density (g/cm³)  =   0.98714
-                               Volume (L)  =   1.05163
-                        Viscosity (mPa s)  =   0.50137
+                                       pe  =   8.805      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  56°C)  = 4190
+                          Density (g/cm³)  =   0.98709
+                               Volume (L)  =   1.05168
+                        Viscosity (mPa s)  =   0.50037
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.946e-02
                        Mass of water (kg)  =   1.036e+00
@@ -2737,17 +2738,17 @@ Ca            1.470e-02
    CaSO4           4.838e-03   4.882e-03    -2.315    -2.311     0.004      8.31
    CaHSO4+         1.330e-08   1.098e-08    -7.876    -7.960    -0.083     (0)  
    CaOH+           4.799e-09   3.961e-09    -8.319    -8.402    -0.083     (0)  
-H(0)          1.190e-34
-   H2              5.949e-35   6.003e-35   -34.226   -34.222     0.004     28.58
-O(0)          2.644e-15
-   O2              1.322e-15   1.334e-15   -14.879   -14.875     0.004     32.20
+H(0)          1.034e-34
+   H2              5.168e-35   5.215e-35   -34.287   -34.283     0.004     28.58
+O(0)          3.503e-15
+   O2              1.752e-15   1.768e-15   -14.757   -14.753     0.004     32.20
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -103.245  -103.333    -0.087     21.34
-   H2S             0.000e+00   0.000e+00  -103.391  -103.387     0.004     41.74
-   S-2             0.000e+00   0.000e+00  -108.392  -108.715    -0.323     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -207.791  -207.787     0.004     28.39
+   HS-             0.000e+00   0.000e+00  -103.490  -103.577    -0.087     21.34
+   H2S             0.000e+00   0.000e+00  -103.636  -103.632     0.004     41.74
+   S-2             0.000e+00   0.000e+00  -108.636  -108.959    -0.323     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -208.280  -208.276     0.004     28.39
 S(6)          1.470e-02
-   SO4-2           9.866e-03   4.672e-03    -2.006    -2.330    -0.325     16.69
+   SO4-2           9.866e-03   4.672e-03    -2.006    -2.330    -0.325     22.21
    CaSO4           4.838e-03   4.882e-03    -2.315    -2.311     0.004      8.31
    HSO4-           2.323e-07   1.918e-07    -6.634    -6.717    -0.083     41.55
    CaHSO4+         1.330e-08   1.098e-08    -7.876    -7.960    -0.083     (0)  
@@ -2758,11 +2759,11 @@ S(6)          1.470e-02
 
   Anhydrite         0.00     -4.65   -4.65  CaSO4
   Gypsum           -0.02     -4.65   -4.64  CaSO4:2H2O
-  H2(g)           -31.08    -34.22   -3.14  H2
+  H2(g)           -31.14    -34.28   -3.14  H2
   H2O(g)           -0.79     -0.00    0.79  H2O
-  H2S(g)         -102.12   -110.03   -7.92  H2S
-  O2(g)           -11.82    -14.87   -3.05  O2
-  Sulfur          -76.66    -72.44    4.23  S
+  H2S(g)         -102.36   -110.28   -7.92  H2S
+  O2(g)           -11.70    -14.75   -3.05  O2
+  Sulfur          -76.85    -72.62    4.23  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2791,11 +2792,11 @@ Gypsum           -0.03    -4.67     -4.64    1.000e+00           0  -1.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.690      Charge balance
-                                       pe  =   8.718      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  57°C)  = 3628
-                          Density (g/cm³)  =   0.98661
-                               Volume (L)  =   1.05215
-                        Viscosity (mPa s)  =   0.49349
+                                       pe  =   8.748      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  57°C)  = 4178
+                          Density (g/cm³)  =   0.98656
+                               Volume (L)  =   1.05221
+                        Viscosity (mPa s)  =   0.49252
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.874e-02
                        Mass of water (kg)  =   1.036e+00
@@ -2820,17 +2821,17 @@ Ca            1.441e-02
    CaSO4           4.725e-03   4.767e-03    -2.326    -2.322     0.004      8.32
    CaHSO4+         1.357e-08   1.121e-08    -7.868    -7.950    -0.083     (0)  
    CaOH+           4.607e-09   3.806e-09    -8.337    -8.419    -0.083     (0)  
-H(0)          1.607e-34
-   H2              8.034e-35   8.106e-35   -34.095   -34.091     0.004     28.58
-O(0)          2.663e-15
-   O2              1.332e-15   1.343e-15   -14.876   -14.872     0.004     32.25
+H(0)          1.400e-34
+   H2              7.001e-35   7.064e-35   -34.155   -34.151     0.004     28.58
+O(0)          3.507e-15
+   O2              1.754e-15   1.769e-15   -14.756   -14.752     0.004     32.25
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -102.827  -102.913    -0.087     21.33
-   H2S             0.000e+00   0.000e+00  -102.968  -102.964     0.004     41.86
-   S-2             0.000e+00   0.000e+00  -107.961  -108.282    -0.321     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -206.937  -206.934     0.004     28.32
+   HS-             0.000e+00   0.000e+00  -103.066  -103.153    -0.087     21.33
+   H2S             0.000e+00   0.000e+00  -103.207  -103.203     0.004     41.86
+   S-2             0.000e+00   0.000e+00  -108.200  -108.521    -0.321     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -207.416  -207.412     0.004     28.32
 S(6)          1.441e-02
-   SO4-2           9.684e-03   4.603e-03    -2.014    -2.337    -0.323     16.65
+   SO4-2           9.684e-03   4.603e-03    -2.014    -2.337    -0.323     22.13
    CaSO4           4.725e-03   4.767e-03    -2.326    -2.322     0.004      8.32
    HSO4-           2.407e-07   1.989e-07    -6.619    -6.701    -0.083     41.56
    CaHSO4+         1.357e-08   1.121e-08    -7.868    -7.950    -0.083     (0)  
@@ -2841,11 +2842,11 @@ S(6)          1.441e-02
 
   Anhydrite         0.00     -4.67   -4.67  CaSO4
   Gypsum           -0.03     -4.67   -4.64  CaSO4:2H2O
-  H2(g)           -30.95    -34.09   -3.14  H2
+  H2(g)           -31.01    -34.15   -3.14  H2
   H2O(g)           -0.77     -0.00    0.77  H2O
-  H2S(g)         -101.69   -109.60   -7.92  H2S
-  O2(g)           -11.82    -14.87   -3.06  O2
-  Sulfur          -76.35    -72.15    4.21  S
+  H2S(g)         -101.93   -109.84   -7.92  H2S
+  O2(g)           -11.70    -14.75   -3.06  O2
+  Sulfur          -76.53    -72.33    4.21  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2875,10 +2876,10 @@ Gypsum           -0.04    -4.68     -4.64    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.679      Charge balance
                                        pe  =   8.661      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  58°C)  = 3614
-                          Density (g/cm³)  =   0.98607
-                               Volume (L)  =   1.05269
-                        Viscosity (mPa s)  =   0.48582
+      Specific Conductance (µS/cm,  58°C)  = 4165
+                          Density (g/cm³)  =   0.98602
+                               Volume (L)  =   1.05274
+                        Viscosity (mPa s)  =   0.48488
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.802e-02
                        Mass of water (kg)  =   1.036e+00
@@ -2903,17 +2904,17 @@ Ca            1.412e-02
    CaSO4           4.613e-03   4.654e-03    -2.336    -2.332     0.004      8.34
    CaHSO4+         1.384e-08   1.144e-08    -7.859    -7.941    -0.082     (0)  
    CaOH+           4.424e-09   3.658e-09    -8.354    -8.437    -0.082     (0)  
-H(0)          2.181e-34
-   H2              1.091e-34   1.100e-34   -33.962   -33.959     0.004     28.58
-O(0)          2.646e-15
-   O2              1.323e-15   1.334e-15   -14.878   -14.875     0.004     32.29
+H(0)          2.180e-34
+   H2              1.090e-34   1.100e-34   -33.962   -33.959     0.004     28.58
+O(0)          2.648e-15
+   O2              1.324e-15   1.335e-15   -14.878   -14.874     0.004     32.29
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -102.398  -102.485    -0.086     21.32
-   H2S             0.000e+00   0.000e+00  -102.534  -102.531     0.004     41.99
-   S-2             0.000e+00   0.000e+00  -107.520  -107.840    -0.320     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -206.065  -206.061     0.004     28.25
+   HS-             0.000e+00   0.000e+00  -102.399  -102.485    -0.086     21.32
+   H2S             0.000e+00   0.000e+00  -102.535  -102.531     0.004     41.99
+   S-2             0.000e+00   0.000e+00  -107.521  -107.840    -0.320     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -206.066  -206.062     0.004     28.25
 S(6)          1.412e-02
-   SO4-2           9.504e-03   4.535e-03    -2.022    -2.343    -0.321     16.61
+   SO4-2           9.504e-03   4.535e-03    -2.022    -2.343    -0.321     22.05
    CaSO4           4.613e-03   4.654e-03    -2.336    -2.332     0.004      8.34
    HSO4-           2.493e-07   2.061e-07    -6.603    -6.686    -0.082     41.57
    CaHSO4+         1.384e-08   1.144e-08    -7.859    -7.941    -0.082     (0)  
@@ -2958,10 +2959,10 @@ Gypsum           -0.04    -4.69     -4.65    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.669      Charge balance
                                        pe  =   8.605      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  59°C)  = 3599
-                          Density (g/cm³)  =   0.98553
-                               Volume (L)  =   1.05323
-                        Viscosity (mPa s)  =   0.47834
+      Specific Conductance (µS/cm,  59°C)  = 4151
+                          Density (g/cm³)  =   0.98548
+                               Volume (L)  =   1.05328
+                        Viscosity (mPa s)  =   0.47744
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.731e-02
                        Mass of water (kg)  =   1.036e+00
@@ -2986,17 +2987,17 @@ Ca            1.383e-02
    CaSO4           4.504e-03   4.543e-03    -2.346    -2.343     0.004      8.36
    CaHSO4+         1.411e-08   1.168e-08    -7.850    -7.932    -0.082     (0)  
    CaOH+           4.249e-09   3.517e-09    -8.372    -8.454    -0.082     (0)  
-H(0)          2.942e-34
-   H2              1.471e-34   1.484e-34   -33.832   -33.829     0.004     28.58
-O(0)          2.652e-15
-   O2              1.326e-15   1.338e-15   -14.877   -14.874     0.004     32.34
+H(0)          2.943e-34
+   H2              1.472e-34   1.484e-34   -33.832   -33.828     0.004     28.58
+O(0)          2.651e-15
+   O2              1.325e-15   1.337e-15   -14.878   -14.874     0.004     32.34
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -101.981  -102.067    -0.086     21.31
-   H2S             0.000e+00   0.000e+00  -102.112  -102.108     0.004     42.11
+   HS-             0.000e+00   0.000e+00  -101.980  -102.066    -0.086     21.31
+   H2S             0.000e+00   0.000e+00  -102.111  -102.107     0.004     42.11
    S-2             0.000e+00   0.000e+00  -107.090  -107.408    -0.318     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -205.213  -205.210     0.004     28.18
+   (H2S)2          0.000e+00   0.000e+00  -205.212  -205.208     0.004     28.18
 S(6)          1.383e-02
-   SO4-2           9.328e-03   4.468e-03    -2.030    -2.350    -0.320     16.56
+   SO4-2           9.328e-03   4.468e-03    -2.030    -2.350    -0.320     21.96
    CaSO4           4.504e-03   4.543e-03    -2.346    -2.343     0.004      8.36
    HSO4-           2.581e-07   2.137e-07    -6.588    -6.670    -0.082     41.58
    CaHSO4+         1.411e-08   1.168e-08    -7.850    -7.932    -0.082     (0)  
@@ -3009,7 +3010,7 @@ S(6)          1.383e-02
   Gypsum           -0.04     -4.69   -4.65  CaSO4:2H2O
   H2(g)           -30.69    -33.83   -3.14  H2
   H2O(g)           -0.73     -0.00    0.73  H2O
-  H2S(g)         -100.82   -108.74   -7.92  H2S
+  H2S(g)         -100.82   -108.73   -7.92  H2S
   O2(g)           -11.81    -14.87   -3.06  O2
   Sulfur          -75.73    -71.56    4.17  S
 
@@ -3040,11 +3041,11 @@ Gypsum           -0.05    -4.71     -4.65    1.000e+00           0  -1.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.658      Charge balance
-                                       pe  =   8.548      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  60°C)  = 3584
-                          Density (g/cm³)  =   0.98498
-                               Volume (L)  =   1.05377
-                        Viscosity (mPa s)  =   0.47105
+                                       pe  =   8.549      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  60°C)  = 4137
+                          Density (g/cm³)  =   0.98493
+                               Volume (L)  =   1.05382
+                        Viscosity (mPa s)  =   0.47018
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.662e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3069,17 +3070,17 @@ Ca            1.355e-02
    CaSO4           4.397e-03   4.434e-03    -2.357    -2.353     0.004      8.37
    CaHSO4+         1.439e-08   1.192e-08    -7.842    -7.924    -0.082     (0)  
    CaOH+           4.081e-09   3.382e-09    -8.389    -8.471    -0.082     (0)  
-H(0)          3.973e-34
-   H2              1.986e-34   2.003e-34   -33.702   -33.698     0.004     28.58
-O(0)          2.644e-15
-   O2              1.322e-15   1.333e-15   -14.879   -14.875     0.004     32.38
+H(0)          3.967e-34
+   H2              1.983e-34   2.000e-34   -33.703   -33.699     0.004     28.58
+O(0)          2.652e-15
+   O2              1.326e-15   1.337e-15   -14.877   -14.874     0.004     32.38
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -101.561  -101.646    -0.085     21.30
-   H2S             0.000e+00   0.000e+00  -101.687  -101.683     0.004     42.24
-   S-2             0.000e+00   0.000e+00  -106.658  -106.974    -0.317     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -204.357  -204.354     0.004     28.10
+   HS-             0.000e+00   0.000e+00  -101.563  -101.649    -0.085     21.30
+   H2S             0.000e+00   0.000e+00  -101.689  -101.686     0.004     42.24
+   S-2             0.000e+00   0.000e+00  -106.660  -106.977    -0.317     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -204.362  -204.359     0.004     28.10
 S(6)          1.355e-02
-   SO4-2           9.154e-03   4.402e-03    -2.038    -2.356    -0.318     16.50
+   SO4-2           9.154e-03   4.402e-03    -2.038    -2.356    -0.318     21.87
    CaSO4           4.397e-03   4.434e-03    -2.357    -2.353     0.004      8.37
    HSO4-           2.672e-07   2.214e-07    -6.573    -6.655    -0.082     41.58
    CaHSO4+         1.439e-08   1.192e-08    -7.842    -7.924    -0.082     (0)  
@@ -3092,8 +3093,8 @@ S(6)          1.355e-02
   Gypsum           -0.05     -4.71   -4.65  CaSO4:2H2O
   H2(g)           -30.56    -33.70   -3.14  H2
   H2O(g)           -0.71     -0.00    0.71  H2O
-  H2S(g)         -100.39   -108.30   -7.92  H2S
-  O2(g)           -11.81    -14.88   -3.06  O2
+  H2S(g)         -100.39   -108.31   -7.92  H2S
+  O2(g)           -11.81    -14.87   -3.06  O2
   Sulfur          -75.42    -71.27    4.15  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -3124,10 +3125,10 @@ Gypsum           -0.06    -4.72     -4.66    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.648      Charge balance
                                        pe  =   8.493      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  61°C)  = 3568
-                          Density (g/cm³)  =   0.98442
-                               Volume (L)  =   1.05433
-                        Viscosity (mPa s)  =   0.46394
+      Specific Conductance (µS/cm,  61°C)  = 4121
+                          Density (g/cm³)  =   0.98438
+                               Volume (L)  =   1.05438
+                        Viscosity (mPa s)  =   0.46310
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.594e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3152,17 +3153,17 @@ Ca            1.328e-02
    CaSO4           4.291e-03   4.327e-03    -2.367    -2.364     0.004      8.39
    CaHSO4+         1.466e-08   1.216e-08    -7.834    -7.915    -0.081     (0)  
    CaOH+           3.922e-09   3.252e-09    -8.407    -8.488    -0.081     (0)  
-H(0)          5.318e-34
-   H2              2.659e-34   2.681e-34   -33.575   -33.572     0.004     28.58
-O(0)          2.672e-15
-   O2              1.336e-15   1.347e-15   -14.874   -14.871     0.004     32.42
+H(0)          5.333e-34
+   H2              2.666e-34   2.688e-34   -33.574   -33.571     0.004     28.58
+O(0)          2.658e-15
+   O2              1.329e-15   1.340e-15   -14.877   -14.873     0.004     32.42
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -101.156  -101.240    -0.085     21.29
-   H2S             0.000e+00   0.000e+00  -101.276  -101.273     0.004     42.36
-   S-2             0.000e+00   0.000e+00  -106.240  -106.555    -0.315     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -203.530  -203.527     0.004     28.03
+   HS-             0.000e+00   0.000e+00  -101.151  -101.236    -0.085     21.29
+   H2S             0.000e+00   0.000e+00  -101.271  -101.268     0.004     42.36
+   S-2             0.000e+00   0.000e+00  -106.235  -106.550    -0.315     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -203.521  -203.517     0.004     28.03
 S(6)          1.328e-02
-   SO4-2           8.984e-03   4.336e-03    -2.047    -2.363    -0.316     16.45
+   SO4-2           8.984e-03   4.336e-03    -2.047    -2.363    -0.316     21.78
    CaSO4           4.291e-03   4.327e-03    -2.367    -2.364     0.004      8.39
    HSO4-           2.766e-07   2.294e-07    -6.558    -6.639    -0.081     41.59
    CaHSO4+         1.466e-08   1.216e-08    -7.834    -7.915    -0.081     (0)  
@@ -3175,8 +3176,8 @@ S(6)          1.328e-02
   Gypsum           -0.06     -4.72   -4.66  CaSO4:2H2O
   H2(g)           -30.43    -33.57   -3.14  H2
   H2O(g)           -0.69     -0.00    0.69  H2O
-  H2S(g)          -99.97   -107.89   -7.92  H2S
-  O2(g)           -11.80    -14.87   -3.07  O2
+  H2S(g)          -99.96   -107.88   -7.92  H2S
+  O2(g)           -11.81    -14.87   -3.07  O2
   Sulfur          -75.12    -70.99    4.13  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -3206,11 +3207,11 @@ Gypsum           -0.07    -4.73     -4.66    1.000e+00           0  -1.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.638      Charge balance
-                                       pe  =   8.437      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  62°C)  = 3552
-                          Density (g/cm³)  =   0.98387
-                               Volume (L)  =   1.05489
-                        Viscosity (mPa s)  =   0.45701
+                                       pe  =   8.491      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  62°C)  = 4105
+                          Density (g/cm³)  =   0.98382
+                               Volume (L)  =   1.05493
+                        Viscosity (mPa s)  =   0.45620
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.526e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3235,17 +3236,17 @@ Ca            1.300e-02
    CaSO4           4.188e-03   4.222e-03    -2.378    -2.375     0.004      8.41
    CaHSO4+         1.494e-08   1.240e-08    -7.826    -7.906    -0.081     (0)  
    CaOH+           3.769e-09   3.128e-09    -8.424    -8.505    -0.081     (0)  
-H(0)          7.178e-34
-   H2              3.589e-34   3.618e-34   -33.445   -33.441     0.004     28.58
-O(0)          2.647e-15
-   O2              1.323e-15   1.334e-15   -14.878   -14.875     0.004     32.47
+H(0)          5.591e-34
+   H2              2.795e-34   2.818e-34   -33.554   -33.550     0.004     28.58
+O(0)          4.363e-15
+   O2              2.181e-15   2.199e-15   -14.661   -14.658     0.004     32.47
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -100.735  -100.820    -0.084     21.28
-   H2S             0.000e+00   0.000e+00  -100.851  -100.847     0.004     42.48
-   S-2             0.000e+00   0.000e+00  -105.808  -106.121    -0.313     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -202.673  -202.670     0.004     27.96
+   HS-             0.000e+00   0.000e+00  -101.169  -101.254    -0.084     21.28
+   H2S             0.000e+00   0.000e+00  -101.285  -101.281     0.004     42.48
+   S-2             0.000e+00   0.000e+00  -106.242  -106.555    -0.313     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -203.542  -203.538     0.004     27.96
 S(6)          1.300e-02
-   SO4-2           8.816e-03   4.271e-03    -2.055    -2.369    -0.315     16.39
+   SO4-2           8.816e-03   4.271e-03    -2.055    -2.369    -0.315     21.69
    CaSO4           4.188e-03   4.222e-03    -2.378    -2.375     0.004      8.41
    HSO4-           2.862e-07   2.376e-07    -6.543    -6.624    -0.081     41.59
    CaHSO4+         1.494e-08   1.240e-08    -7.826    -7.906    -0.081     (0)  
@@ -3256,11 +3257,11 @@ S(6)          1.300e-02
 
   Anhydrite         0.00     -4.73   -4.73  CaSO4
   Gypsum           -0.07     -4.73   -4.66  CaSO4:2H2O
-  H2(g)           -30.30    -33.44   -3.14  H2
+  H2(g)           -30.41    -33.55   -3.14  H2
   H2O(g)           -0.67     -0.00    0.67  H2O
-  H2S(g)          -99.54   -107.46   -7.92  H2S
-  O2(g)           -11.80    -14.87   -3.07  O2
-  Sulfur          -74.81    -70.70    4.11  S
+  H2S(g)          -99.97   -107.89   -7.92  H2S
+  O2(g)           -11.59    -14.66   -3.07  O2
+  Sulfur          -75.14    -71.02    4.11  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3290,10 +3291,10 @@ Gypsum           -0.08    -4.75     -4.66    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.628      Charge balance
                                        pe  =   8.383      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  63°C)  = 3535
-                          Density (g/cm³)  =   0.98330
-                               Volume (L)  =   1.05545
-                        Viscosity (mPa s)  =   0.45025
+      Specific Conductance (µS/cm,  63°C)  = 4087
+                          Density (g/cm³)  =   0.98326
+                               Volume (L)  =   1.05550
+                        Viscosity (mPa s)  =   0.44947
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.460e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3324,11 +3325,11 @@ O(0)          2.681e-15
    O2              1.340e-15   1.351e-15   -14.873   -14.869     0.003     32.51
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00  -100.337  -100.421    -0.084     21.27
-   H2S             0.000e+00   0.000e+00  -100.447  -100.443     0.003     42.59
+   H2S             0.000e+00   0.000e+00  -100.447  -100.444     0.003     42.59
    S-2             0.000e+00   0.000e+00  -105.397  -105.709    -0.312     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -201.860  -201.857     0.003     27.88
+   (H2S)2          0.000e+00   0.000e+00  -201.861  -201.857     0.003     27.88
 S(6)          1.274e-02
-   SO4-2           8.650e-03   4.207e-03    -2.063    -2.376    -0.313     16.33
+   SO4-2           8.650e-03   4.207e-03    -2.063    -2.376    -0.313     21.59
    CaSO4           4.086e-03   4.119e-03    -2.389    -2.385     0.003      8.42
    HSO4-           2.961e-07   2.460e-07    -6.529    -6.609    -0.080     41.59
    CaHSO4+         1.522e-08   1.265e-08    -7.818    -7.898    -0.080     (0)  
@@ -3373,10 +3374,10 @@ Gypsum           -0.09    -4.76     -4.67    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.618      Charge balance
                                        pe  =   8.328      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  64°C)  = 3517
-                          Density (g/cm³)  =   0.98273
-                               Volume (L)  =   1.05603
-                        Viscosity (mPa s)  =   0.44366
+      Specific Conductance (µS/cm,  64°C)  = 4069
+                          Density (g/cm³)  =   0.98269
+                               Volume (L)  =   1.05607
+                        Viscosity (mPa s)  =   0.44290
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.395e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3411,7 +3412,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -104.977  -105.287    -0.310     (0)  
    (H2S)2          0.000e+00   0.000e+00  -201.028  -201.025     0.003     27.81
 S(6)          1.247e-02
-   SO4-2           8.488e-03   4.143e-03    -2.071    -2.383    -0.311     16.26
+   SO4-2           8.488e-03   4.143e-03    -2.071    -2.383    -0.311     21.50
    CaSO4           3.986e-03   4.018e-03    -2.399    -2.396     0.003      8.44
    HSO4-           3.062e-07   2.547e-07    -6.514    -6.594    -0.080     41.59
    CaHSO4+         1.550e-08   1.289e-08    -7.810    -7.890    -0.080     (0)  
@@ -3456,10 +3457,10 @@ Gypsum           -0.10    -4.77     -4.67    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.608      Charge balance
                                        pe  =   8.273      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  65°C)  = 3499
-                          Density (g/cm³)  =   0.98216
-                               Volume (L)  =   1.05661
-                        Viscosity (mPa s)  =   0.43723
+      Specific Conductance (µS/cm,  65°C)  = 4051
+                          Density (g/cm³)  =   0.98212
+                               Volume (L)  =   1.05665
+                        Viscosity (mPa s)  =   0.43649
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.331e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3484,17 +3485,17 @@ Ca            1.222e-02
    CaSO4           3.888e-03   3.918e-03    -2.410    -2.407     0.003      8.45
    CaHSO4+         1.578e-08   1.314e-08    -7.802    -7.881    -0.080     (0)  
    CaOH+           3.350e-09   2.789e-09    -8.475    -8.555    -0.080     (0)  
-H(0)          1.712e-33
-   H2              8.558e-34   8.624e-34   -33.068   -33.064     0.003     28.58
-O(0)          2.679e-15
-   O2              1.339e-15   1.350e-15   -14.873   -14.870     0.003     32.59
+H(0)          1.710e-33
+   H2              8.551e-34   8.617e-34   -33.068   -33.065     0.003     28.58
+O(0)          2.683e-15
+   O2              1.342e-15   1.352e-15   -14.872   -14.869     0.003     32.59
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -99.525   -99.608    -0.083     21.24
-   H2S             0.000e+00   0.000e+00   -99.624   -99.621     0.003     42.82
-   S-2             0.000e+00   0.000e+00  -104.561  -104.869    -0.308     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -200.205  -200.201     0.003     27.73
+   HS-             0.000e+00   0.000e+00   -99.527   -99.610    -0.083     21.24
+   H2S             0.000e+00   0.000e+00   -99.626   -99.623     0.003     42.82
+   S-2             0.000e+00   0.000e+00  -104.562  -104.871    -0.308     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -200.207  -200.204     0.003     27.73
 S(6)          1.222e-02
-   SO4-2           8.328e-03   4.080e-03    -2.079    -2.389    -0.310     16.19
+   SO4-2           8.328e-03   4.080e-03    -2.079    -2.389    -0.310     21.40
    CaSO4           3.888e-03   3.918e-03    -2.410    -2.407     0.003      8.45
    HSO4-           3.167e-07   2.636e-07    -6.499    -6.579    -0.080     41.59
    CaHSO4+         1.578e-08   1.314e-08    -7.802    -7.881    -0.080     (0)  
@@ -3539,10 +3540,10 @@ Gypsum           -0.11    -4.79     -4.67    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.598      Charge balance
                                        pe  =   8.218      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  66°C)  = 3481
-                          Density (g/cm³)  =   0.98158
-                               Volume (L)  =   1.05720
-                        Viscosity (mPa s)  =   0.43095
+      Specific Conductance (µS/cm,  66°C)  = 4031
+                          Density (g/cm³)  =   0.98154
+                               Volume (L)  =   1.05724
+                        Viscosity (mPa s)  =   0.43024
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.268e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3577,7 +3578,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -104.146  -104.453    -0.307     (0)  
    (H2S)2          0.000e+00   0.000e+00  -199.383  -199.380     0.003     27.65
 S(6)          1.196e-02
-   SO4-2           8.170e-03   4.018e-03    -2.088    -2.396    -0.308     16.11
+   SO4-2           8.170e-03   4.018e-03    -2.088    -2.396    -0.308     21.29
    CaSO4           3.793e-03   3.821e-03    -2.421    -2.418     0.003      8.47
    HSO4-           3.274e-07   2.728e-07    -6.485    -6.564    -0.079     41.59
    CaHSO4+         1.606e-08   1.338e-08    -7.794    -7.873    -0.079     (0)  
@@ -3622,10 +3623,10 @@ Gypsum           -0.12    -4.80     -4.68    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.589      Charge balance
                                        pe  =   8.164      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  67°C)  = 3461
-                          Density (g/cm³)  =   0.98099
-                               Volume (L)  =   1.05779
-                        Viscosity (mPa s)  =   0.42482
+      Specific Conductance (µS/cm,  67°C)  = 4011
+                          Density (g/cm³)  =   0.98095
+                               Volume (L)  =   1.05783
+                        Viscosity (mPa s)  =   0.42414
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.206e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3660,7 +3661,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -103.737  -104.042    -0.305     (0)  
    (H2S)2          0.000e+00   0.000e+00  -198.573  -198.570     0.003     27.57
 S(6)          1.171e-02
-   SO4-2           8.015e-03   3.957e-03    -2.096    -2.403    -0.307     16.04
+   SO4-2           8.015e-03   3.957e-03    -2.096    -2.403    -0.307     21.19
    CaSO4           3.699e-03   3.726e-03    -2.432    -2.429     0.003      8.48
    HSO4-           3.384e-07   2.823e-07    -6.471    -6.549    -0.079     41.59
    CaHSO4+         1.635e-08   1.363e-08    -7.787    -7.865    -0.079     (0)  
@@ -3705,10 +3706,10 @@ Gypsum           -0.13    -4.81     -4.68    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.579      Charge balance
                                        pe  =   8.110      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  68°C)  = 3442
-                          Density (g/cm³)  =   0.98040
-                               Volume (L)  =   1.05839
-                        Viscosity (mPa s)  =   0.41884
+      Specific Conductance (µS/cm,  68°C)  = 3990
+                          Density (g/cm³)  =   0.98037
+                               Volume (L)  =   1.05843
+                        Viscosity (mPa s)  =   0.41818
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.145e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3733,17 +3734,17 @@ Ca            1.147e-02
    CaSO4           3.606e-03   3.633e-03    -2.443    -2.440     0.003      8.50
    CaHSO4+         1.663e-08   1.388e-08    -7.779    -7.858    -0.078     (0)  
    CaOH+           2.984e-09   2.491e-09    -8.525    -8.604    -0.078     (0)  
-H(0)          4.045e-33
-   H2              2.022e-33   2.037e-33   -32.694   -32.691     0.003     28.58
-O(0)          2.677e-15
-   O2              1.338e-15   1.348e-15   -14.873   -14.870     0.003     32.71
+H(0)          4.040e-33
+   H2              2.020e-33   2.035e-33   -32.695   -32.692     0.003     28.58
+O(0)          2.683e-15
+   O2              1.342e-15   1.351e-15   -14.872   -14.869     0.003     32.71
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -98.327   -98.408    -0.082     21.19
-   H2S             0.000e+00   0.000e+00   -98.409   -98.406     0.003     43.16
-   S-2             0.000e+00   0.000e+00  -103.325  -103.629    -0.304     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -197.759  -197.755     0.003     27.49
+   HS-             0.000e+00   0.000e+00   -98.329   -98.410    -0.082     21.19
+   H2S             0.000e+00   0.000e+00   -98.411   -98.408     0.003     43.16
+   S-2             0.000e+00   0.000e+00  -103.327  -103.631    -0.304     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -197.763  -197.760     0.003     27.49
 S(6)          1.147e-02
-   SO4-2           7.863e-03   3.896e-03    -2.104    -2.409    -0.305     15.96
+   SO4-2           7.863e-03   3.896e-03    -2.104    -2.409    -0.305     21.08
    CaSO4           3.606e-03   3.633e-03    -2.443    -2.440     0.003      8.50
    HSO4-           3.498e-07   2.920e-07    -6.456    -6.535    -0.078     41.59
    CaHSO4+         1.663e-08   1.388e-08    -7.779    -7.858    -0.078     (0)  
@@ -3757,7 +3758,7 @@ S(6)          1.147e-02
   H2(g)           -29.55    -32.69   -3.14  H2
   H2O(g)           -0.55     -0.00    0.55  H2O
   H2S(g)          -97.06   -104.99   -7.93  H2S
-  O2(g)           -11.79    -14.87   -3.08  O2
+  O2(g)           -11.78    -14.87   -3.08  O2
   Sulfur          -73.03    -69.03    4.00  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -3788,10 +3789,10 @@ Gypsum           -0.14    -4.83     -4.69    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.570      Charge balance
                                        pe  =   8.057      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  69°C)  = 3422
-                          Density (g/cm³)  =   0.97981
-                               Volume (L)  =   1.05900
-                        Viscosity (mPa s)  =   0.41299
+      Specific Conductance (µS/cm,  69°C)  = 3969
+                          Density (g/cm³)  =   0.97977
+                               Volume (L)  =   1.05904
+                        Viscosity (mPa s)  =   0.41236
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.086e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3816,17 +3817,17 @@ Ca            1.123e-02
    CaSO4           3.516e-03   3.541e-03    -2.454    -2.451     0.003      8.51
    CaHSO4+         1.692e-08   1.413e-08    -7.772    -7.850    -0.078     (0)  
    CaOH+           2.872e-09   2.400e-09    -8.542    -8.620    -0.078     (0)  
-H(0)          5.360e-33
-   H2              2.680e-33   2.699e-33   -32.572   -32.569     0.003     28.58
-O(0)          2.685e-15
-   O2              1.343e-15   1.352e-15   -14.872   -14.869     0.003     32.75
+H(0)          5.355e-33
+   H2              2.678e-33   2.697e-33   -32.572   -32.569     0.003     28.58
+O(0)          2.690e-15
+   O2              1.345e-15   1.355e-15   -14.871   -14.868     0.003     32.75
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -97.935   -98.016    -0.081     21.17
-   H2S             0.000e+00   0.000e+00   -98.012   -98.009     0.003     43.27
-   S-2             0.000e+00   0.000e+00  -102.922  -103.224    -0.302     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -196.959  -196.956     0.003     27.41
+   HS-             0.000e+00   0.000e+00   -97.937   -98.018    -0.081     21.17
+   H2S             0.000e+00   0.000e+00   -98.014   -98.010     0.003     43.27
+   S-2             0.000e+00   0.000e+00  -102.923  -103.225    -0.302     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -196.962  -196.959     0.003     27.41
 S(6)          1.123e-02
-   SO4-2           7.714e-03   3.837e-03    -2.113    -2.416    -0.303     15.87
+   SO4-2           7.714e-03   3.837e-03    -2.113    -2.416    -0.303     20.97
    CaSO4           3.516e-03   3.541e-03    -2.454    -2.451     0.003      8.51
    HSO4-           3.614e-07   3.019e-07    -6.442    -6.520    -0.078     41.58
    CaHSO4+         1.692e-08   1.413e-08    -7.772    -7.850    -0.078     (0)  
@@ -3871,10 +3872,10 @@ Gypsum           -0.15    -4.84     -4.69    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.561      Charge balance
                                        pe  =   8.003      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  70°C)  = 3401
-                          Density (g/cm³)  =   0.97921
-                               Volume (L)  =   1.05961
-                        Viscosity (mPa s)  =   0.40729
+      Specific Conductance (µS/cm,  70°C)  = 3946
+                          Density (g/cm³)  =   0.97917
+                               Volume (L)  =   1.05965
+                        Viscosity (mPa s)  =   0.40667
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   3.027e-02
                        Mass of water (kg)  =   1.036e+00
@@ -3909,7 +3910,7 @@ S(-2)         0.000e+00
    S-2             0.000e+00   0.000e+00  -102.517  -102.818    -0.300     (0)  
    (H2S)2          0.000e+00   0.000e+00  -196.159  -196.156     0.003     27.32
 S(6)          1.099e-02
-   SO4-2           7.567e-03   3.778e-03    -2.121    -2.423    -0.302     15.78
+   SO4-2           7.567e-03   3.778e-03    -2.121    -2.423    -0.302     20.86
    CaSO4           3.428e-03   3.452e-03    -2.465    -2.462     0.003      8.53
    HSO4-           3.733e-07   3.122e-07    -6.428    -6.506    -0.078     41.58
    CaHSO4+         1.720e-08   1.438e-08    -7.764    -7.842    -0.078     (0)  
@@ -3954,18 +3955,18 @@ Gypsum           -0.16    -4.85     -4.70    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.552      Charge balance
                                        pe  =   7.950      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  71°C)  = 3380
-                          Density (g/cm³)  =   0.97861
-                               Volume (L)  =   1.06023
-                        Viscosity (mPa s)  =   0.40171
+      Specific Conductance (µS/cm,  71°C)  = 3924
+                          Density (g/cm³)  =   0.97857
+                               Volume (L)  =   1.06027
+                        Viscosity (mPa s)  =   0.40112
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   2.969e-02
                        Mass of water (kg)  =   1.036e+00
                  Total alkalinity (eq/kg)  =   1.174e-09
                          Temperature (°C)  =  71.00
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  16
+                               Iterations  =  14
                                   Total H  = 1.150124e+02
                                   Total O  = 5.755082e+01
 
@@ -3982,17 +3983,17 @@ Ca            1.076e-02
    CaSO4           3.341e-03   3.364e-03    -2.476    -2.473     0.003      8.54
    CaHSO4+         1.748e-08   1.464e-08    -7.757    -7.835    -0.077     (0)  
    CaOH+           2.663e-09   2.229e-09    -8.575    -8.652    -0.077     (0)  
-H(0)          9.401e-33
-   H2              4.700e-33   4.733e-33   -32.328   -32.325     0.003     28.58
-O(0)          2.683e-15
-   O2              1.342e-15   1.351e-15   -14.872   -14.869     0.003     32.83
+H(0)          9.405e-33
+   H2              4.703e-33   4.735e-33   -32.328   -32.325     0.003     28.58
+O(0)          2.681e-15
+   O2              1.340e-15   1.349e-15   -14.873   -14.870     0.003     32.83
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -97.153   -97.233    -0.080     21.12
-   H2S             0.000e+00   0.000e+00   -97.218   -97.215     0.003     43.48
-   S-2             0.000e+00   0.000e+00  -102.115  -102.414    -0.299     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -195.362  -195.359     0.003     27.24
+   HS-             0.000e+00   0.000e+00   -97.152   -97.232    -0.080     21.12
+   H2S             0.000e+00   0.000e+00   -97.217   -97.215     0.003     43.48
+   S-2             0.000e+00   0.000e+00  -102.114  -102.413    -0.299     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -195.361  -195.358     0.003     27.24
 S(6)          1.076e-02
-   SO4-2           7.422e-03   3.719e-03    -2.129    -2.430    -0.300     15.69
+   SO4-2           7.422e-03   3.719e-03    -2.129    -2.430    -0.300     20.74
    CaSO4           3.341e-03   3.364e-03    -2.476    -2.473     0.003      8.54
    HSO4-           3.856e-07   3.227e-07    -6.414    -6.491    -0.077     41.57
    CaHSO4+         1.748e-08   1.464e-08    -7.757    -7.835    -0.077     (0)  
@@ -4037,10 +4038,10 @@ Gypsum           -0.17    -4.87     -4.70    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.543      Charge balance
                                        pe  =   7.926      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  72°C)  = 3359
-                          Density (g/cm³)  =   0.97800
-                               Volume (L)  =   1.06086
-                        Viscosity (mPa s)  =   0.39627
+      Specific Conductance (µS/cm,  72°C)  = 3900
+                          Density (g/cm³)  =   0.97796
+                               Volume (L)  =   1.06090
+                        Viscosity (mPa s)  =   0.39569
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   2.912e-02
                        Mass of water (kg)  =   1.036e+00
@@ -4071,11 +4072,11 @@ O(0)          3.505e-15
    O2              1.752e-15   1.764e-15   -14.756   -14.753     0.003     32.87
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00   -96.998   -97.077    -0.080     21.10
-   H2S             0.000e+00   0.000e+00   -97.057   -97.055     0.003     43.59
+   H2S             0.000e+00   0.000e+00   -97.057   -97.054     0.003     43.59
    S-2             0.000e+00   0.000e+00  -101.948  -102.245    -0.297     (0)  
    (H2S)2          0.000e+00   0.000e+00  -195.036  -195.033     0.003     27.16
 S(6)          1.054e-02
-   SO4-2           7.280e-03   3.662e-03    -2.138    -2.436    -0.298     15.60
+   SO4-2           7.280e-03   3.662e-03    -2.138    -2.436    -0.298     20.63
    CaSO4           3.256e-03   3.278e-03    -2.487    -2.484     0.003      8.55
    HSO4-           3.981e-07   3.336e-07    -6.400    -6.477    -0.077     41.56
    CaHSO4+         1.777e-08   1.489e-08    -7.750    -7.827    -0.077     (0)  
@@ -4120,10 +4121,10 @@ Gypsum           -0.18    -4.88     -4.70    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.534      Charge balance
                                        pe  =   7.873      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  73°C)  = 3337
-                          Density (g/cm³)  =   0.97738
-                               Volume (L)  =   1.06149
-                        Viscosity (mPa s)  =   0.39095
+      Specific Conductance (µS/cm,  73°C)  = 3876
+                          Density (g/cm³)  =   0.97735
+                               Volume (L)  =   1.06153
+                        Viscosity (mPa s)  =   0.39039
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   2.856e-02
                        Mass of water (kg)  =   1.036e+00
@@ -4148,17 +4149,17 @@ Ca            1.031e-02
    CaSO4           3.173e-03   3.194e-03    -2.499    -2.496     0.003      8.57
    CaHSO4+         1.806e-08   1.514e-08    -7.743    -7.820    -0.076     (0)  
    CaOH+           2.471e-09   2.072e-09    -8.607    -8.684    -0.076     (0)  
-H(0)          1.433e-32
-   H2              7.164e-33   7.211e-33   -32.145   -32.142     0.003     28.58
-O(0)          3.504e-15
-   O2              1.752e-15   1.764e-15   -14.756   -14.754     0.003     32.91
+H(0)          1.432e-32
+   H2              7.162e-33   7.209e-33   -32.145   -32.142     0.003     28.58
+O(0)          3.506e-15
+   O2              1.753e-15   1.765e-15   -14.756   -14.753     0.003     32.91
 S(-2)         0.000e+00
    HS-             0.000e+00   0.000e+00   -96.613   -96.692    -0.079     21.08
    H2S             0.000e+00   0.000e+00   -96.667   -96.664     0.003     43.69
-   S-2             0.000e+00   0.000e+00  -101.551  -101.846    -0.296     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -194.250  -194.247     0.003     27.07
+   S-2             0.000e+00   0.000e+00  -101.551  -101.847    -0.296     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -194.251  -194.248     0.003     27.07
 S(6)          1.031e-02
-   SO4-2           7.141e-03   3.605e-03    -2.146    -2.443    -0.297     15.50
+   SO4-2           7.141e-03   3.605e-03    -2.146    -2.443    -0.297     20.51
    CaSO4           3.173e-03   3.194e-03    -2.499    -2.496     0.003      8.57
    HSO4-           4.110e-07   3.447e-07    -6.386    -6.463    -0.076     41.55
    CaHSO4+         1.806e-08   1.514e-08    -7.743    -7.820    -0.076     (0)  
@@ -4203,10 +4204,10 @@ Gypsum           -0.18    -4.89     -4.71    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.525      Charge balance
                                        pe  =   7.790      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  74°C)  = 3315
-                          Density (g/cm³)  =   0.97677
-                               Volume (L)  =   1.06213
-                        Viscosity (mPa s)  =   0.38575
+      Specific Conductance (µS/cm,  74°C)  = 3852
+                          Density (g/cm³)  =   0.97673
+                               Volume (L)  =   1.06217
+                        Viscosity (mPa s)  =   0.38521
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   2.802e-02
                        Mass of water (kg)  =   1.036e+00
@@ -4231,17 +4232,17 @@ Ca            1.010e-02
    CaSO4           3.092e-03   3.112e-03    -2.510    -2.507     0.003      8.58
    CaHSO4+         1.834e-08   1.540e-08    -7.737    -7.813    -0.076     (0)  
    CaOH+           2.381e-09   1.999e-09    -8.623    -8.699    -0.076     (0)  
-H(0)          2.167e-32
-   H2              1.083e-32   1.090e-32   -31.965   -31.962     0.003     28.58
-O(0)          2.656e-15
-   O2              1.328e-15   1.336e-15   -14.877   -14.874     0.003     32.95
+H(0)          2.168e-32
+   H2              1.084e-32   1.091e-32   -31.965   -31.962     0.003     28.58
+O(0)          2.653e-15
+   O2              1.326e-15   1.335e-15   -14.877   -14.875     0.003     32.95
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -95.989   -96.068    -0.079     21.05
-   H2S             0.000e+00   0.000e+00   -96.037   -96.035     0.003     43.79
-   S-2             0.000e+00   0.000e+00  -100.915  -101.209    -0.294     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -192.987  -192.984     0.003     26.98
+   HS-             0.000e+00   0.000e+00   -95.988   -96.067    -0.079     21.05
+   H2S             0.000e+00   0.000e+00   -96.036   -96.034     0.003     43.79
+   S-2             0.000e+00   0.000e+00  -100.914  -101.208    -0.294     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -192.985  -192.982     0.003     26.98
 S(6)          1.010e-02
-   SO4-2           7.004e-03   3.549e-03    -2.155    -2.450    -0.295     15.40
+   SO4-2           7.004e-03   3.549e-03    -2.155    -2.450    -0.295     20.38
    CaSO4           3.092e-03   3.112e-03    -2.510    -2.507     0.003      8.58
    HSO4-           4.242e-07   3.561e-07    -6.372    -6.448    -0.076     41.54
    CaHSO4+         1.834e-08   1.540e-08    -7.737    -7.813    -0.076     (0)  
@@ -4286,10 +4287,10 @@ Gypsum           -0.19    -4.91     -4.71    1.000e+00           0  -1.000e+00
 
                                        pH  =   6.516      Charge balance
                                        pe  =   7.738      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 3292
-                          Density (g/cm³)  =   0.97614
-                               Volume (L)  =   1.06278
-                        Viscosity (mPa s)  =   0.38066
+      Specific Conductance (µS/cm,  75°C)  = 3827
+                          Density (g/cm³)  =   0.97611
+                               Volume (L)  =   1.06282
+                        Viscosity (mPa s)  =   0.38014
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   2.748e-02
                        Mass of water (kg)  =   1.036e+00
@@ -4314,17 +4315,17 @@ Ca            9.882e-03
    CaSO4           3.012e-03   3.031e-03    -2.521    -2.518     0.003      8.59
    CaHSO4+         1.863e-08   1.565e-08    -7.730    -7.805    -0.076     (0)  
    CaOH+           2.295e-09   1.928e-09    -8.639    -8.715    -0.076     (0)  
-H(0)          2.852e-32
-   H2              1.426e-32   1.435e-32   -31.846   -31.843     0.003     28.58
-O(0)          2.650e-15
-   O2              1.325e-15   1.333e-15   -14.878   -14.875     0.003     32.99
+H(0)          2.849e-32
+   H2              1.424e-32   1.433e-32   -31.846   -31.844     0.003     28.58
+O(0)          2.655e-15
+   O2              1.327e-15   1.336e-15   -14.877   -14.874     0.003     32.99
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00   -95.607   -95.685    -0.078     21.03
-   H2S             0.000e+00   0.000e+00   -95.649   -95.647     0.003     43.89
-   S-2             0.000e+00   0.000e+00  -100.521  -100.813    -0.293     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -192.206  -192.204     0.003     26.89
+   HS-             0.000e+00   0.000e+00   -95.609   -95.687    -0.078     21.03
+   H2S             0.000e+00   0.000e+00   -95.651   -95.648     0.003     43.89
+   S-2             0.000e+00   0.000e+00  -100.523  -100.815    -0.293     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -192.210  -192.207     0.003     26.89
 S(6)          9.882e-03
-   SO4-2           6.869e-03   3.493e-03    -2.163    -2.457    -0.294     15.29
+   SO4-2           6.869e-03   3.493e-03    -2.163    -2.457    -0.294     20.26
    CaSO4           3.012e-03   3.031e-03    -2.521    -2.518     0.003      8.59
    HSO4-           4.377e-07   3.678e-07    -6.359    -6.434    -0.076     41.53
    CaHSO4+         1.863e-08   1.565e-08    -7.730    -7.805    -0.076     (0)  
@@ -4338,7 +4339,7 @@ S(6)          9.882e-03
   H2(g)           -28.71    -31.84   -3.13  H2
   H2O(g)           -0.42     -0.00    0.42  H2O
   H2S(g)          -94.26   -102.20   -7.94  H2S
-  O2(g)           -11.78    -14.88   -3.10  O2
+  O2(g)           -11.78    -14.87   -3.10  O2
   Sulfur          -71.02    -67.14    3.88  S
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
diff --git a/phreeqc3-examples/ex2.sel b/phreeqc3-examples/ex2.sel
index 7ec7fa6f..46d6a684 100644
--- a/phreeqc3-examples/ex2.sel
+++ b/phreeqc3-examples/ex2.sel
@@ -1,53 +1,53 @@
          sim	       state	        soln	      dist_x	        time	        step	          pH	          pe	        temp	si_anhydrite	   si_gypsum	
            1	      i_soln	           1	         -99	         -99	         -99	           7	           4	      25.000	   -999.9990	   -999.9990	
-           1	       react	           1	         -99	           0	           1	     7.06605	     10.7446	      25.000	     -0.3045	      0.0000	
+           1	       react	           1	         -99	           0	           1	     7.06605	      10.745	      25.000	     -0.3045	      0.0000	
            1	       react	           1	         -99	           0	           2	      7.0524	     10.6757	      26.000	     -0.2935	      0.0000	
            1	       react	           1	         -99	           0	           3	     7.03885	     10.6068	      27.000	     -0.2825	      0.0000	
-           1	       react	           1	         -99	           0	           4	      7.0254	     10.5389	      28.000	     -0.2716	      0.0000	
-           1	       react	           1	         -99	           0	           5	     7.01206	      10.472	      29.000	     -0.2608	      0.0000	
+           1	       react	           1	         -99	           0	           4	      7.0254	     10.5392	      28.000	     -0.2716	      0.0000	
+           1	       react	           1	         -99	           0	           5	     7.01206	     10.4719	      29.000	     -0.2608	      0.0000	
            1	       react	           1	         -99	           0	           6	     6.99884	     10.4042	      30.000	     -0.2500	      0.0000	
-           1	       react	           1	         -99	           0	           7	     6.98574	     10.3381	      31.000	     -0.2392	      0.0000	
+           1	       react	           1	         -99	           0	           7	     6.98574	     10.3382	      31.000	     -0.2392	      0.0000	
            1	       react	           1	         -99	           0	           8	     6.97276	     10.2711	      32.000	     -0.2285	      0.0000	
            1	       react	           1	         -99	           0	           9	     6.95991	     10.2057	      33.000	     -0.2179	      0.0000	
-           1	       react	           1	         -99	           0	          10	     6.94718	     10.1398	      34.000	     -0.2073	      0.0000	
-           1	       react	           1	         -99	           0	          11	     6.93459	     10.0744	      35.000	     -0.1967	      0.0000	
-           1	       react	           1	         -99	           0	          12	     6.92213	     10.0096	      36.000	     -0.1862	      0.0000	
-           1	       react	           1	         -99	           0	          13	     6.90981	    -1.77748	      37.000	     -0.1757	      0.0000	
-           1	       react	           1	         -99	           0	          14	     6.89762	     9.88087	      38.000	     -0.1653	      0.0000	
+           1	       react	           1	         -99	           0	          10	     6.94718	     10.1394	      34.000	     -0.2073	      0.0000	
+           1	       react	           1	         -99	           0	          11	     6.93459	     10.0743	      35.000	     -0.1967	      0.0000	
+           1	       react	           1	         -99	           0	          12	     6.92213	     10.0094	      36.000	     -0.1862	      0.0000	
+           1	       react	           1	         -99	           0	          13	     6.90981	    -1.77753	      37.000	     -0.1757	      0.0000	
+           1	       react	           1	         -99	           0	          14	     6.89762	     9.88094	      38.000	     -0.1653	      0.0000	
            1	       react	           1	         -99	           0	          15	     6.88557	      9.8475	      39.000	     -0.1549	      0.0000	
-           1	       react	           1	         -99	           0	          16	     6.87366	     9.75454	      40.000	     -0.1445	      0.0000	
-           1	       react	           1	         -99	           0	          17	     6.86189	      9.6907	      41.000	     -0.1342	      0.0000	
+           1	       react	           1	         -99	           0	          16	     6.87366	     9.75448	      40.000	     -0.1445	      0.0000	
+           1	       react	           1	         -99	           0	          17	     6.86189	     9.69091	      41.000	     -0.1342	      0.0000	
            1	       react	           1	         -99	           0	          18	     6.85026	     9.62849	      42.000	     -0.1239	      0.0000	
-           1	       react	           1	         -99	           0	          19	     6.83878	     9.56563	      43.000	     -0.1137	      0.0000	
-           1	       react	           1	         -99	           0	          20	     6.82743	     9.50339	      44.000	     -0.1035	      0.0000	
-           1	       react	           1	         -99	           0	          21	     6.81623	      9.4423	      45.000	     -0.0934	      0.0000	
-           1	       react	           1	         -99	           0	          22	     6.80517	     9.38059	      46.000	     -0.0833	      0.0000	
-           1	       react	           1	         -99	           0	          23	     6.79425	     9.31892	      47.000	     -0.0732	      0.0000	
-           1	       react	           1	         -99	           0	          24	     6.78347	     9.28758	      48.000	     -0.0632	      0.0000	
-           1	       react	           1	         -99	           0	          25	     6.77284	     9.19657	      49.000	     -0.0532	      0.0000	
-           1	       react	           1	         -99	           0	          26	     6.76235	    -1.65497	      50.000	     -0.0432	      0.0000	
-           1	       react	           1	         -99	           0	          27	       6.752	     9.07753	      51.000	     -0.0333	      0.0000	
-           1	       react	           1	         -99	           0	          28	      6.7418	     9.04685	      52.000	     -0.0234	      0.0000	
-           1	       react	           1	         -99	           0	          29	     6.73173	     8.91536	      53.000	     -0.0136	      0.0000	
-           1	       react	           1	         -99	           0	          30	     6.72181	    -1.62166	      54.000	     -0.0038	      0.0000	
-           1	       react	           1	         -99	           0	          31	     6.71125	     8.83248	      55.000	      0.0000	     -0.0060	
-           1	       react	           1	         -99	           0	          32	     6.70039	      8.7747	      56.000	      0.0000	     -0.0157	
-           1	       react	           1	         -99	           0	          33	     6.68965	     8.71845	      57.000	      0.0000	     -0.0254	
-           1	       react	           1	         -99	           0	          34	     6.67903	     8.66099	      58.000	      0.0000	     -0.0350	
-           1	       react	           1	         -99	           0	          35	     6.66853	     8.60479	      59.000	      0.0000	     -0.0446	
-           1	       react	           1	         -99	           0	          36	     6.65815	     8.54826	      60.000	      0.0000	     -0.0542	
-           1	       react	           1	         -99	           0	          37	     6.64789	      8.4935	      61.000	      0.0000	     -0.0638	
-           1	       react	           1	         -99	           0	          38	     6.63774	     8.43683	      62.000	      0.0000	     -0.0733	
-           1	       react	           1	         -99	           0	          39	     6.62771	     8.38286	      63.000	      0.0000	     -0.0828	
+           1	       react	           1	         -99	           0	          19	     6.83878	     9.56557	      43.000	     -0.1137	      0.0000	
+           1	       react	           1	         -99	           0	          20	     6.82743	     9.50326	      44.000	     -0.1035	      0.0000	
+           1	       react	           1	         -99	           0	          21	     6.81623	     9.44229	      45.000	     -0.0934	      0.0000	
+           1	       react	           1	         -99	           0	          22	     6.80517	     9.38053	      46.000	     -0.0833	      0.0000	
+           1	       react	           1	         -99	           0	          23	     6.79425	     9.31897	      47.000	     -0.0732	      0.0000	
+           1	       react	           1	         -99	           0	          24	     6.78347	     9.21452	      48.000	     -0.0632	      0.0000	
+           1	       react	           1	         -99	           0	          25	     6.77284	     9.19666	      49.000	     -0.0532	      0.0000	
+           1	       react	           1	         -99	           0	          26	     6.76235	    -1.65493	      50.000	     -0.0432	      0.0000	
+           1	       react	           1	         -99	           0	          27	       6.752	     -2.0958	      51.000	     -0.0333	      0.0000	
+           1	       react	           1	         -99	           0	          28	      6.7418	     9.04692	      52.000	     -0.0234	      0.0000	
+           1	       react	           1	         -99	           0	          29	     6.73173	     8.91531	      53.000	     -0.0136	      0.0000	
+           1	       react	           1	         -99	           0	          30	     6.72181	    -1.62167	      54.000	     -0.0038	      0.0000	
+           1	       react	           1	         -99	           0	          31	     6.71125	      8.8323	      55.000	      0.0000	     -0.0060	
+           1	       react	           1	         -99	           0	          32	     6.70039	     8.80527	      56.000	      0.0000	     -0.0157	
+           1	       react	           1	         -99	           0	          33	     6.68965	     8.74835	      57.000	      0.0000	     -0.0254	
+           1	       react	           1	         -99	           0	          34	     6.67903	     8.66106	      58.000	      0.0000	     -0.0350	
+           1	       react	           1	         -99	           0	          35	     6.66853	     8.60472	      59.000	      0.0000	     -0.0446	
+           1	       react	           1	         -99	           0	          36	     6.65815	     8.54858	      60.000	      0.0000	     -0.0542	
+           1	       react	           1	         -99	           0	          37	     6.64789	     8.49291	      61.000	      0.0000	     -0.0638	
+           1	       react	           1	         -99	           0	          38	     6.63774	      8.4911	      62.000	      0.0000	     -0.0733	
+           1	       react	           1	         -99	           0	          39	     6.62771	     8.38287	      63.000	      0.0000	     -0.0828	
            1	       react	           1	         -99	           0	          40	      6.6178	     8.32762	      64.000	      0.0000	     -0.0922	
-           1	       react	           1	         -99	           0	          41	       6.608	     8.27289	      65.000	      0.0000	     -0.1016	
+           1	       react	           1	         -99	           0	          41	       6.608	     8.27306	      65.000	      0.0000	     -0.1016	
            1	       react	           1	         -99	           0	          42	     6.59833	     8.21823	      66.000	      0.0000	     -0.1110	
            1	       react	           1	         -99	           0	          43	     6.58876	     8.16425	      67.000	      0.0000	     -0.1204	
-           1	       react	           1	         -99	           0	          44	     6.57931	     8.10992	      68.000	      0.0000	     -0.1297	
-           1	       react	           1	         -99	           0	          45	     6.56998	     8.05651	      69.000	      0.0000	     -0.1390	
+           1	       react	           1	         -99	           0	          44	     6.57931	     8.11019	      68.000	      0.0000	     -0.1297	
+           1	       react	           1	         -99	           0	          45	     6.56998	      8.0567	      69.000	      0.0000	     -0.1390	
            1	       react	           1	         -99	           0	          46	     6.56075	     8.00299	      70.000	      0.0000	     -0.1483	
-           1	       react	           1	         -99	           0	          47	     6.55165	     7.94963	      71.000	      0.0000	     -0.1575	
-           1	       react	           1	         -99	           0	          48	     6.54265	     7.92563	      72.000	      0.0000	     -0.1667	
-           1	       react	           1	         -99	           0	          49	     6.53376	     7.87284	      73.000	      0.0000	     -0.1758	
-           1	       react	           1	         -99	           0	          50	     6.52499	     7.79021	      74.000	      0.0000	     -0.1850	
-           1	       react	           1	         -99	           0	          51	     6.51633	     7.73768	      75.000	      0.0000	     -0.1941	
+           1	       react	           1	         -99	           0	          47	     6.55165	     7.94953	      71.000	      0.0000	     -0.1575	
+           1	       react	           1	         -99	           0	          48	     6.54265	     7.92562	      72.000	      0.0000	     -0.1667	
+           1	       react	           1	         -99	           0	          49	     6.53376	      7.8729	      73.000	      0.0000	     -0.1758	
+           1	       react	           1	         -99	           0	          50	     6.52499	     7.79009	      74.000	      0.0000	     -0.1850	
+           1	       react	           1	         -99	           0	          51	     6.51633	     7.73789	      75.000	      0.0000	     -0.1941	
diff --git a/phreeqc3-examples/ex20a.out b/phreeqc3-examples/ex20a.out
index 629dc8c7..ce948b54 100644
--- a/phreeqc3-examples/ex20a.out
+++ b/phreeqc3-examples/ex20a.out
@@ -217,8 +217,8 @@ Calcite                                     2.54e-07
 
             Isotope Ratio	       Ratio	    Input Units
 
-     R(D)                	 1.55760e-04	    -1.3101e-11  permil    
-     R(18O)              	 2.00520e-03	    -3.9447e-07  permil    
+     R(D)                	 1.55760e-04	    -6.6613e-13  permil    
+     R(18O)              	 2.00520e-03	    -3.9446e-07  permil    
      R(13C)              	 1.11802e-02	    -0.00026756  permil    
      R(D) H2O(l)         	 1.55760e-04	      1.138e-05  permil    
      R(18O) H2O(l)       	 2.00520e-03	    -3.9132e-05  permil    
@@ -249,15 +249,15 @@ Alpha D OH-/H2O(l)                          0.23812         -1435         -1435
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha D H3O+/H2O(l)                          1.0417         40.82         40.82
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha D H2(aq)/H2O(l)                             1    5.7732e-12             0
+Alpha D H2(aq)/H2O(l)                             1   -2.2204e-12             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha D HCO3-/H2O(l)                              1    2.2555e-09             0
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha D HCO3-/H2O(l)                              1    2.2549e-09             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.1094e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
-Alpha 18O CO3-2/H2O(l)                            1   -1.5554e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5561e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
-Alpha D CH4(aq)/H2O(l)                            1   -3.7507e-09             0
-Alpha 13C CH4(aq)/CO2(aq)                         1   -4.2188e-12             0
+Alpha D CH4(aq)/H2O(l)                            1   -3.7301e-09             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.8874e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 
@@ -284,7 +284,7 @@ Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   1.667e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  64
+                               Iterations  =  94
                                   Total H  = 1.109971e+02
                                   Total O  = 5.540110e+01
 
@@ -296,18 +296,18 @@ Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
    OH-             1.661e-06   1.575e-06    -5.780    -5.803    -0.023     (0)  
    H3O+            6.648e-09   6.328e-09    -8.177    -8.199    -0.021      0.00
    H2O             5.556e+01   9.977e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.777e-27
-   CH4             2.775e-27   2.777e-27   -26.557   -26.556     0.000     (0)  
-   CH3D            1.729e-30   1.730e-30   -29.762   -29.762     0.000     (0)  
+C(-4)         2.760e-27
+   CH4             2.758e-27   2.759e-27   -26.559   -26.559     0.000     (0)  
+   CH3D            1.718e-30   1.719e-30   -29.765   -29.765     0.000     (0)  
 C(4)          1.984e-03
    HCO3-           1.916e-03   1.817e-03    -2.718    -2.741    -0.023     (0)  
    CO2             2.597e-05   2.598e-05    -4.586    -4.585     0.000     (0)  
    CO3-2           1.661e-05   1.344e-05    -4.780    -4.872    -0.092     (0)  
    CaHCO3+         5.917e-06   5.618e-06    -5.228    -5.250    -0.023     (0)  
    CaCO3           5.466e-06   5.469e-06    -5.262    -5.262     0.000     (0)  
-   HCO2[18O]-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
    HCO[18O]O-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
    HC[18O]O2-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
+   HCO2[18O]-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
    NaHCO3          1.340e-06   1.341e-06    -5.873    -5.873     0.000     (0)  
    NaCO3-          3.463e-07   3.284e-07    -6.461    -6.484    -0.023     (0)  
    DCO3-           2.985e-07   2.831e-07    -6.525    -6.548    -0.023     (0)  
@@ -315,14 +315,14 @@ C(4)          1.984e-03
    CO2[18O]-2      9.993e-08   8.086e-08    -7.000    -7.092    -0.092     (0)  
    CaCO2[18O]      3.288e-08   3.290e-08    -7.483    -7.483     0.000     (0)  
    CaHCO2[18O]+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
-   CaHCO[18O]O+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
    CaHC[18O]O2+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
+   CaHCO[18O]O+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
    HCO[18O]2-      7.705e-09   7.307e-09    -8.113    -8.136    -0.023     (0)  
    HC[18O]2O-      7.705e-09   7.307e-09    -8.113    -8.136    -0.023     (0)  
    HC[18O]O[18O]-   7.705e-09   7.307e-09    -8.113    -8.136    -0.023     (0)  
+   NaHC[18O]O2     2.687e-09   2.689e-09    -8.571    -8.570     0.000     (0)  
    NaHCO2[18O]     2.687e-09   2.689e-09    -8.571    -8.570     0.000     (0)  
    NaHCO[18O]O     2.687e-09   2.689e-09    -8.571    -8.570     0.000     (0)  
-   NaHC[18O]O2     2.687e-09   2.689e-09    -8.571    -8.570     0.000     (0)  
    NaCO2[18O]-     2.083e-09   1.976e-09    -8.681    -8.704    -0.023     (0)  
 Ca            3.098e-04
    Ca+2            2.982e-04   2.422e-04    -3.525    -3.616    -0.090     (0)  
@@ -332,21 +332,21 @@ Ca            3.098e-04
    Ca[13C]O3       6.104e-08   6.107e-08    -7.214    -7.214     0.000     (0)  
    CaCO2[18O]      3.288e-08   3.290e-08    -7.483    -7.483     0.000     (0)  
    CaHCO2[18O]+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
-   CaHCO[18O]O+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
    CaHC[18O]O2+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
+   CaHCO[18O]O+    1.186e-08   1.126e-08    -7.926    -7.948    -0.023     (0)  
    CaDCO3+         9.216e-10   8.750e-10    -9.035    -9.058    -0.023     (0)  
    Ca[13C]O2[18O]   3.672e-10   3.674e-10    -9.435    -9.435     0.000     (0)  
-D(0)          5.656e-19
-   HD              5.655e-19   5.658e-19   -18.248   -18.247     0.000     (0)  
-   D2              4.404e-23   4.406e-23   -22.356   -22.356     0.000     (0)  
+D(0)          5.647e-19
+   HD              5.646e-19   5.649e-19   -18.248   -18.248     0.000     (0)  
+   D2              4.397e-23   4.399e-23   -22.357   -22.357     0.000     (0)  
 D(1)          1.734e-02
    HDO             1.731e-02   3.108e-04    -1.762    -3.507    -1.746     (0)  
    HD[18O]         3.470e-05   6.233e-07    -4.460    -6.205    -1.746     (0)  
    D2O             1.348e-06   2.421e-08    -5.870    -7.616    -1.746     (0)  
    DCO3-           2.985e-07   2.831e-07    -6.525    -6.548    -0.023     (0)  
-H(0)          3.632e-15
-   H2              1.815e-15   1.816e-15   -14.741   -14.741     0.000     (0)  
-   HD              5.655e-19   5.658e-19   -18.248   -18.247     0.000     (0)  
+H(0)          3.626e-15
+   H2              1.812e-15   1.813e-15   -14.742   -14.742     0.000     (0)  
+   HD              5.646e-19   5.649e-19   -18.248   -18.248     0.000     (0)  
 Na            1.385e-03
    Na+             1.383e-03   1.312e-03    -2.859    -2.882    -0.023     (0)  
    NaHCO3          1.340e-06   1.341e-06    -5.873    -5.873     0.000     (0)  
@@ -358,11 +358,11 @@ Na            1.385e-03
    NaHC[18O]O2     2.687e-09   2.689e-09    -8.571    -8.570     0.000     (0)  
    NaCO2[18O]-     2.083e-09   1.976e-09    -8.681    -8.704    -0.023     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.901   -62.900     0.000     (0)  
-   O[18O]          0.000e+00   0.000e+00   -65.297   -65.297     0.000     (0)  
-[13C](-4)     3.079e-29
-   [13C]H4         3.077e-29   3.078e-29   -28.512   -28.512     0.000     (0)  
-   [13C]H3D        1.917e-32   1.918e-32   -31.717   -31.717     0.000     (0)  
+   O2              0.000e+00   0.000e+00   -62.899   -62.899     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -65.296   -65.296     0.000     (0)  
+[13C](-4)     3.059e-29
+   [13C]H4         3.057e-29   3.059e-29   -28.515   -28.514     0.000     (0)  
+   [13C]H3D        1.905e-32   1.906e-32   -31.720   -31.720     0.000     (0)  
 [13C](4)      2.218e-05
    H[13C]O3-       2.143e-05   2.032e-05    -4.669    -4.692    -0.023     (0)  
    [13C]O2         2.878e-07   2.880e-07    -6.541    -6.541     0.000     (0)  
@@ -370,20 +370,20 @@ O(0)          0.000e+00
    CaH[13C]O3+     6.616e-08   6.281e-08    -7.179    -7.202    -0.023     (0)  
    Ca[13C]O3       6.104e-08   6.107e-08    -7.214    -7.214     0.000     (0)  
    H[13C]O2[18O]-   4.296e-08   4.075e-08    -7.367    -7.390    -0.023     (0)  
-   H[13C]O[18O]O-   4.296e-08   4.075e-08    -7.367    -7.390    -0.023     (0)  
    H[13C][18O]O2-   4.296e-08   4.075e-08    -7.367    -7.390    -0.023     (0)  
+   H[13C]O[18O]O-   4.296e-08   4.075e-08    -7.367    -7.390    -0.023     (0)  
    NaH[13C]O3      1.499e-08   1.499e-08    -7.824    -7.824     0.000     (0)  
    Na[13C]O3-      3.866e-09   3.667e-09    -8.413    -8.436    -0.023     (0)  
    D[13C]O3-       3.337e-09   3.165e-09    -8.477    -8.500    -0.023     (0)  
    [13C]O[18O]     1.203e-09   1.204e-09    -8.920    -8.920     0.000     (0)  
    [13C]O2[18O]-2   1.116e-09   9.028e-10    -8.952    -9.044    -0.092     (0)  
    Ca[13C]O2[18O]   3.672e-10   3.674e-10    -9.435    -9.435     0.000     (0)  
-   CaH[13C]O2[18O]+   1.327e-10   1.260e-10    -9.877    -9.900    -0.023     (0)  
-   CaH[13C]O[18O]O+   1.327e-10   1.260e-10    -9.877    -9.900    -0.023     (0)  
    CaH[13C][18O]O2+   1.327e-10   1.260e-10    -9.877    -9.900    -0.023     (0)  
-   H[13C]O[18O]2-   8.615e-11   8.171e-11   -10.065   -10.088    -0.023     (0)  
+   CaH[13C]O[18O]O+   1.327e-10   1.260e-10    -9.877    -9.900    -0.023     (0)  
+   CaH[13C]O2[18O]+   1.327e-10   1.260e-10    -9.877    -9.900    -0.023     (0)  
    H[13C][18O]2O-   8.615e-11   8.171e-11   -10.065   -10.088    -0.023     (0)  
    H[13C][18O]O[18O]-   8.615e-11   8.171e-11   -10.065   -10.088    -0.023     (0)  
+   H[13C]O[18O]2-   8.615e-11   8.171e-11   -10.065   -10.088    -0.023     (0)  
    NaH[13C]O2[18O]   3.005e-11   3.007e-11   -10.522   -10.522     0.000     (0)  
    NaH[13C]O[18O]O   3.005e-11   3.007e-11   -10.522   -10.522     0.000     (0)  
    NaH[13C][18O]O2   3.005e-11   3.007e-11   -10.522   -10.522     0.000     (0)  
@@ -392,11 +392,11 @@ O(0)          0.000e+00
    H2[18O]         1.114e-01   2.001e-03    -0.953    -2.699    -1.746     (0)  
    HD[18O]         3.470e-05   6.233e-07    -4.460    -6.205    -1.746     (0)  
    HCO2[18O]-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
-   HCO[18O]O-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
    HC[18O]O2-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
+   HCO[18O]O-      3.842e-06   3.644e-06    -5.415    -5.438    -0.023     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -65.297   -65.297     0.000     (0)  
-   [18O]2          0.000e+00   0.000e+00   -68.296   -68.296     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -65.296   -65.296     0.000     (0)  
+   [18O]2          0.000e+00   0.000e+00   -68.295   -68.295     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -407,10 +407,10 @@ O(0)          0.000e+00
   [13C]H2D2(g)    -32.49    -36.13   -3.64  [13C]H2D2
   [13C]H3D(g)     -28.86    -32.32   -3.46  [13C]H3D
   [13C]H4(g)      -25.65    -28.51   -2.86  [13C]H4
-  [13C]HD3(g)     -36.47    -39.93   -3.46  [13C]HD3
+  [13C]HD3(g)     -36.48    -39.94   -3.46  [13C]HD3
   [13C]O2(g)       -5.07     -6.54   -1.47  [13C]O2
   [13C]O[18O](g)   -7.45     -9.24   -1.79  [13C]O[18O]
-  [18O]2(g)       -66.01    -68.30   -2.29  [18O]2
+  [18O]2(g)       -66.00    -68.29   -2.29  [18O]2
   C[18O]2(g)       -8.48     -9.98   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.01     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -421,8 +421,8 @@ O(0)          0.000e+00
   CaCO[18O]2(s)    -4.90      2.80    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
   CD4(g)          -38.93    -41.79   -2.86  CD4
-  CH2D2(g)        -30.53    -34.17   -3.64  CH2D2
-  CH3D(g)         -26.90    -30.36   -3.46  CH3D
+  CH2D2(g)        -30.54    -34.17   -3.64  CH2D2
+  CH3D(g)         -26.90    -30.37   -3.46  CH3D
   CH4(g)          -23.70    -26.56   -2.86  CH4
   CHD3(g)         -34.52    -37.98   -3.46  CHD3
   CO2(g)           -3.12     -4.59   -1.47  CO2
@@ -437,7 +437,7 @@ O(0)          0.000e+00
   HD[18O](g)       -7.75     -6.51    1.25  HD[18O]
   HDO(g)           -5.05     -3.81    1.24  HDO
   O2(g)           -60.01    -62.90   -2.89  O2
-  O[18O](g)       -62.71    -65.60   -2.89  O[18O]
+  O[18O](g)       -62.70    -65.60   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex20b.out b/phreeqc3-examples/ex20b.out
index 70043349..ac7b8d00 100644
--- a/phreeqc3-examples/ex20b.out
+++ b/phreeqc3-examples/ex20b.out
@@ -354,14 +354,14 @@ Calcite                                     0.00e+00
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    3.6713e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.3067e-10             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.3323e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    6.8834e-12             0
 
 -----------------------------Solution composition------------------------------
 
@@ -376,14 +376,14 @@ Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
 ----------------------------Description of solution----------------------------
 
                                        pH  =   5.863      Charge balance
-                                       pe  =   0.247      Adjusted to redox equilibrium
+                                       pe  =   0.219      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   1.495e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   1.003e-03
                        Total CO2 (mol/kg)  =   3.912e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.367e-14
+                  Electrical balance (eq)  =   3.883e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  18
                                   Total H  = 1.110126e+02
@@ -397,44 +397,44 @@ Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
    H3O+            1.426e-06   1.369e-06    -5.846    -5.863    -0.018      0.00
    OH-             7.606e-09   7.282e-09    -8.119    -8.138    -0.019     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         9.506e-28
-   CH4             9.506e-28   9.510e-28   -27.022   -27.022     0.000     (0)  
+C(-4)         1.584e-27
+   CH4             1.584e-27   1.584e-27   -26.800   -26.800     0.000     (0)  
 C(4)          3.912e-03
    CO2             2.907e-03   2.908e-03    -2.537    -2.536     0.000     (0)  
    HCO3-           9.821e-04   9.406e-04    -3.008    -3.027    -0.019     (0)  
    CO[18O]         1.209e-05   1.209e-05    -4.918    -4.918     0.000     (0)  
    CaHCO3+         5.241e-06   5.023e-06    -5.281    -5.299    -0.018     (0)  
-   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
-   HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HC[18O]O2-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    CO3-2           3.822e-08   3.216e-08    -7.418    -7.493    -0.075     (0)  
    CaCO3           2.260e-08   2.261e-08    -7.646    -7.646     0.000     (0)  
    C[18O]2         1.257e-08   1.257e-08    -7.901    -7.901     0.000     (0)  
    CaHCO2[18O]+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
    CaHC[18O]O2+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
+   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
 Ca            5.014e-04
    Ca+2            4.961e-04   4.184e-04    -3.304    -3.378    -0.074     (0)  
    CaHCO3+         5.241e-06   5.023e-06    -5.281    -5.299    -0.018     (0)  
    CaH[13C]O3+     5.770e-08   5.530e-08    -7.239    -7.257    -0.018     (0)  
    CaCO3           2.260e-08   2.261e-08    -7.646    -7.646     0.000     (0)  
    CaHCO2[18O]+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
    CaHC[18O]O2+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-H(0)          8.541e-16
-   H2              4.271e-16   4.272e-16   -15.370   -15.369     0.000     (0)  
+   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
+H(0)          9.704e-16
+   H2              4.852e-16   4.854e-16   -15.314   -15.314     0.000     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -61.643   -61.643     0.000     (0)  
-   O[18O]          0.000e+00   0.000e+00   -64.042   -64.042     0.000     (0)  
-[13C](-4)     1.038e-29
-   [13C]H4         1.038e-29   1.038e-29   -28.984   -28.984     0.000     (0)  
+   O2              0.000e+00   0.000e+00   -61.754   -61.754     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -64.153   -64.153     0.000     (0)  
+[13C](-4)     1.729e-29
+   [13C]H4         1.729e-29   1.729e-29   -28.762   -28.762     0.000     (0)  
 [13C](4)      4.280e-05
    [13C]O2         3.173e-05   3.174e-05    -4.499    -4.498     0.000     (0)  
    H[13C]O3-       1.081e-05   1.036e-05    -4.966    -4.985    -0.019     (0)  
    [13C]O[18O]     1.319e-07   1.320e-07    -6.880    -6.879     0.000     (0)  
    CaH[13C]O3+     5.770e-08   5.530e-08    -7.239    -7.257    -0.018     (0)  
-   H[13C]O2[18O]-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    H[13C]O[18O]O-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
+   H[13C]O2[18O]-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    H[13C][18O]O2-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    [13C]O3-2       4.202e-10   3.535e-10    -9.377    -9.452    -0.075     (0)  
    Ca[13C]O3       2.484e-10   2.485e-10    -9.605    -9.605     0.000     (0)  
@@ -442,52 +442,52 @@ O(0)          0.000e+00
    CaH[13C]O2[18O]+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
    CaH[13C]O[18O]O+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
    CaH[13C][18O]O2+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
-   H[13C]O[18O]2-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
    H[13C][18O]2O-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
    H[13C][18O]O[18O]-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
-[14C](-4)     9.824e-40
-   [14C]H4         9.824e-40   9.828e-40   -39.008   -39.008     0.000     (0)  
+   H[13C]O[18O]2-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
+[14C](-4)     1.637e-39
+   [14C]H4         1.637e-39   1.638e-39   -38.786   -38.786     0.000     (0)  
 [14C](4)      4.061e-15
    [14C]O2         3.004e-15   3.005e-15   -14.522   -14.522     0.000     (0)  
    H[14C]O3-       1.033e-15   9.890e-16   -14.986   -15.005    -0.019     (0)  
    [14C]O[18O]     1.249e-17   1.250e-17   -16.903   -16.903     0.000     (0)  
    CaH[14C]O3+     5.511e-18   5.281e-18   -17.259   -17.277    -0.018     (0)  
-   H[14C]O2[18O]-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
-   H[14C]O[18O]O-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
    H[14C][18O]O2-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
+   H[14C]O[18O]O-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
+   H[14C]O2[18O]-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
    [14C]O3-2       4.008e-20   3.372e-20   -19.397   -19.472    -0.075     (0)  
    Ca[14C]O3       2.369e-20   2.370e-20   -19.625   -19.625     0.000     (0)  
    [14C][18O]2     1.299e-20   1.299e-20   -19.887   -19.886     0.000     (0)  
    CaH[14C]O2[18O]+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
-   CaH[14C]O[18O]O+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
    CaH[14C][18O]O2+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
+   CaH[14C]O[18O]O+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
    H[14C]O[18O]2-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
-   H[14C][18O]2O-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
    H[14C][18O]O[18O]-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
+   H[14C][18O]2O-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         1.209e-05   1.209e-05    -4.918    -4.918     0.000     (0)  
-   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HC[18O]O2-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    [13C]O[18O]     1.319e-07   1.320e-07    -6.880    -6.879     0.000     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -64.042   -64.042     0.000     (0)  
-   [18O]2          0.000e+00   0.000e+00   -67.043   -67.043     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -64.153   -64.153     0.000     (0)  
+   [18O]2          0.000e+00   0.000e+00   -67.154   -67.154     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.40     -9.90   -1.50  [13C][18O]2
-  [13C]H4(g)      -26.12    -28.98   -2.86  [13C]H4
+  [13C]H4(g)      -25.90    -28.76   -2.86  [13C]H4
   [13C]O2(g)       -3.03     -4.50   -1.47  [13C]O2
   [13C]O[18O](g)   -5.41     -7.20   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.42    -19.92   -1.50  [14C][18O]2
-  [14C]H4(g)      -36.15    -39.01   -2.86  [14C]H4
+  [14C]H4(g)      -35.93    -38.79   -2.86  [14C]H4
   [14C]O2(g)      -13.05    -14.52   -1.47  [14C]O2
   [14C]O[18O](g)  -15.44    -17.22   -1.79  [14C]O[18O]
-  [18O]2(g)       -64.75    -67.04   -2.29  [18O]2
+  [18O]2(g)       -64.86    -67.15   -2.29  [18O]2
   C[18O]2(g)       -6.43     -7.94   -1.50  C[18O]2
   Ca[13C][18O]3(s) -12.41     -4.25    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -6.56      1.15    7.71  Ca[13C]O2[18O]
@@ -501,14 +501,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -4.60      3.11    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -7.29      0.41    7.70  CaCO[18O]2
   Calcite          -2.39    -10.87   -8.48  CaCO3
-  CH4(g)          -24.16    -27.02   -2.86  CH4
+  CH4(g)          -23.94    -26.80   -2.86  CH4
   CO2(g)           -1.07     -2.54   -1.47  CO2
   CO[18O](g)       -3.45     -5.24   -1.79  CO[18O]
-  H2(g)           -12.22    -15.37   -3.15  H2
+  H2(g)           -12.16    -15.31   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -58.75    -61.64   -2.89  O2
-  O[18O](g)       -61.45    -64.34   -2.89  O[18O]
+  O2(g)           -58.86    -61.75   -2.89  O2
+  O[18O](g)       -61.56    -64.45   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -617,10 +617,10 @@ Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.9496e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.9261e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1             0             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2212e-12             0
 Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
 
 -----------------------------Solution composition------------------------------
@@ -636,14 +636,14 @@ Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.235      Charge balance
-                                       pe  =   0.081      Adjusted to redox equilibrium
+                                       pe  =   0.013      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   2.970e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   2.006e-03
                        Total CO2 (mol/kg)  =   4.408e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.501e-14
+                  Electrical balance (eq)  =   3.897e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   5
                                   Total H  = 1.110126e+02
@@ -657,101 +657,101 @@ Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
    H3O+            6.146e-07   5.816e-07    -6.211    -6.235    -0.024      0.00
    OH-             1.821e-08   1.714e-08    -7.740    -7.766    -0.026     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.780e-29
-   CH4             1.780e-29   1.781e-29   -28.750   -28.749     0.000     (0)  
+C(-4)         6.181e-29
+   CH4             6.181e-29   6.185e-29   -28.209   -28.209     0.000     (0)  
 C(4)          4.408e-03
    CO2             2.414e-03   2.416e-03    -2.617    -2.617     0.000     (0)  
    HCO3-           1.953e-03   1.840e-03    -2.709    -2.735    -0.026     (0)  
    CaHCO3+         1.936e-05   1.827e-05    -4.713    -4.738    -0.025     (0)  
    CO[18O]         1.004e-05   1.005e-05    -4.998    -4.998     0.000     (0)  
-   HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
+   HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HC[18O]O2-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    CaCO3           1.934e-07   1.935e-07    -6.714    -6.713     0.000     (0)  
    CO3-2           1.880e-07   1.481e-07    -6.726    -6.830    -0.104     (0)  
    CaHCO2[18O]+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
-   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    CaHC[18O]O2+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
+   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    C[18O]2         1.044e-08   1.044e-08    -7.981    -7.981     0.000     (0)  
    HCO[18O]2-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
-   HC[18O]2O-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
    HC[18O]O[18O]-   7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
+   HC[18O]2O-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
 Ca            1.003e-03
    Ca+2            9.830e-04   7.781e-04    -3.007    -3.109    -0.102     (0)  
    CaHCO3+         1.936e-05   1.827e-05    -4.713    -4.738    -0.025     (0)  
    CaH[13C]O3+     2.134e-07   2.013e-07    -6.671    -6.696    -0.025     (0)  
    CaCO3           1.934e-07   1.935e-07    -6.714    -6.713     0.000     (0)  
    CaHCO2[18O]+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
-   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    CaHC[18O]O2+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
+   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    Ca[13C]O3       2.128e-09   2.130e-09    -8.672    -8.672     0.000     (0)  
    CaCO2[18O]      1.158e-09   1.158e-09    -8.936    -8.936     0.000     (0)  
-H(0)          3.309e-16
-   H2              1.654e-16   1.656e-16   -15.781   -15.781     0.000     (0)  
+H(0)          4.517e-16
+   H2              2.258e-16   2.260e-16   -15.646   -15.646     0.000     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -60.820   -60.820     0.000     (0)  
-   O[18O]          0.000e+00   0.000e+00   -63.219   -63.219     0.000     (0)  
-[13C](-4)     1.945e-31
-   [13C]H4         1.945e-31   1.946e-31   -30.711   -30.711     0.000     (0)  
+   O2              0.000e+00   0.000e+00   -61.090   -61.090     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -63.489   -63.489     0.000     (0)  
+[13C](-4)     6.753e-31
+   [13C]H4         6.753e-31   6.758e-31   -30.170   -30.170     0.000     (0)  
 [13C](4)      4.835e-05
    [13C]O2         2.638e-05   2.639e-05    -4.579    -4.578     0.000     (0)  
    H[13C]O3-       2.152e-05   2.027e-05    -4.667    -4.693    -0.026     (0)  
    CaH[13C]O3+     2.134e-07   2.013e-07    -6.671    -6.696    -0.025     (0)  
    [13C]O[18O]     1.097e-07   1.098e-07    -6.960    -6.960     0.000     (0)  
    H[13C]O2[18O]-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
-   H[13C]O[18O]O-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
    H[13C][18O]O2-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
+   H[13C]O[18O]O-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
    Ca[13C]O3       2.128e-09   2.130e-09    -8.672    -8.672     0.000     (0)  
    [13C]O3-2       2.069e-09   1.629e-09    -8.684    -8.788    -0.104     (0)  
    CaH[13C]O2[18O]+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    CaH[13C]O[18O]O+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    CaH[13C][18O]O2+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    [13C][18O]2     1.140e-10   1.141e-10    -9.943    -9.943     0.000     (0)  
-   H[13C]O[18O]2-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
    H[13C][18O]2O-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
    H[13C][18O]O[18O]-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
+   H[13C]O[18O]2-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00   -40.789   -40.788     0.000     (0)  
+   [14C]H4         0.000e+00   0.000e+00   -40.248   -40.248     0.000     (0)  
 [14C](4)      4.061e-15
    [14C]O2         2.207e-15   2.208e-15   -14.656   -14.656     0.000     (0)  
    H[14C]O3-       1.816e-15   1.711e-15   -14.741   -14.767    -0.026     (0)  
    CaH[14C]O3+     1.801e-17   1.699e-17   -16.745   -16.770    -0.025     (0)  
    [14C]O[18O]     9.176e-18   9.182e-18   -17.037   -17.037     0.000     (0)  
-   H[14C]O2[18O]-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    H[14C]O[18O]O-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
+   H[14C]O2[18O]-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    H[14C][18O]O2-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    Ca[14C]O3       1.794e-19   1.795e-19   -18.746   -18.746     0.000     (0)  
    [14C]O3-2       1.743e-19   1.373e-19   -18.759   -18.862    -0.104     (0)  
-   CaH[14C]O2[18O]+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    CaH[14C]O[18O]O+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
+   CaH[14C]O2[18O]+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    CaH[14C][18O]O2+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    [14C][18O]2     9.539e-21   9.545e-21   -20.021   -20.020     0.000     (0)  
-   H[14C]O[18O]2-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
-   H[14C][18O]2O-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
    H[14C][18O]O[18O]-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
+   H[14C][18O]2O-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
+   H[14C]O[18O]2-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         1.004e-05   1.005e-05    -4.998    -4.998     0.000     (0)  
    HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
-   HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HC[18O]O2-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
+   HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -63.219   -63.219     0.000     (0)  
-   [18O]2          0.000e+00   0.000e+00   -66.220   -66.220     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -63.489   -63.489     0.000     (0)  
+   [18O]2          0.000e+00   0.000e+00   -66.490   -66.490     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.48     -9.98   -1.50  [13C][18O]2
-  [13C]H4(g)      -27.85    -30.71   -2.86  [13C]H4
+  [13C]H4(g)      -27.31    -30.17   -2.86  [13C]H4
   [13C]O2(g)       -3.11     -4.58   -1.47  [13C]O2
   [13C]O[18O](g)   -5.49     -7.28   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.55    -20.06   -1.50  [14C][18O]2
-  [14C]H4(g)      -37.93    -40.79   -2.86  [14C]H4
+  [14C]H4(g)      -37.39    -40.25   -2.86  [14C]H4
   [14C]O2(g)      -13.19    -14.66   -1.47  [14C]O2
   [14C]O[18O](g)  -15.57    -17.36   -1.79  [14C]O[18O]
-  [18O]2(g)       -63.93    -66.22   -2.29  [18O]2
+  [18O]2(g)       -64.20    -66.49   -2.29  [18O]2
   C[18O]2(g)       -6.51     -8.02   -1.50  C[18O]2
   Ca[13C][18O]3(s) -11.48     -3.32    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -5.63      2.08    7.71  Ca[13C]O2[18O]
@@ -765,14 +765,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -3.67      4.04    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -6.36      1.34    7.70  CaCO[18O]2
   Calcite          -1.46     -9.94   -8.48  CaCO3
-  CH4(g)          -25.89    -28.75   -2.86  CH4
+  CH4(g)          -25.35    -28.21   -2.86  CH4
   CO2(g)           -1.15     -2.62   -1.47  CO2
   CO[18O](g)       -3.53     -5.32   -1.79  CO[18O]
-  H2(g)           -12.63    -15.78   -3.15  H2
+  H2(g)           -12.50    -15.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -57.93    -60.82   -2.89  O2
-  O[18O](g)       -60.63    -63.52   -2.89  O[18O]
+  O2(g)           -58.20    -61.09   -2.89  O2
+  O[18O](g)       -60.90    -63.79   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -876,12 +876,12 @@ Calcite                                     0.00e+00
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2373e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2795e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.9934e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8096e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 
@@ -898,14 +898,14 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.503      Charge balance
-                                       pe  =  11.499      Adjusted to redox equilibrium
+                                       pe  =  11.498      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   4.428e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   3.009e-03
                        Total CO2 (mol/kg)  =   4.904e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.766e-13
+                  Electrical balance (eq)  =   5.037e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  17
                                   Total H  = 1.110126e+02
@@ -920,22 +920,22 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
    OH-             3.415e-08   3.176e-08    -7.467    -7.498    -0.032     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.333  -122.333     0.000     (0)  
+   CH4             0.000e+00   0.000e+00  -122.330  -122.330     0.000     (0)  
 C(4)          4.904e-03
    HCO3-           2.915e-03   2.713e-03    -2.535    -2.567    -0.031     (0)  
    CO2             1.921e-03   1.923e-03    -2.716    -2.716     0.000     (0)  
    CaHCO3+         4.102e-05   3.825e-05    -4.387    -4.417    -0.030     (0)  
    CO[18O]         7.989e-06   7.997e-06    -5.097    -5.097     0.000     (0)  
    HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    HC[18O]O2-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    CaCO3           7.501e-07   7.509e-07    -6.125    -6.124     0.000     (0)  
    CO3-2           5.390e-07   4.046e-07    -6.268    -6.393    -0.125     (0)  
    CaHCO2[18O]+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHC[18O]O2+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
-   HCO[18O]2-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    HC[18O]2O-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
+   HCO[18O]2-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    HC[18O]O[18O]-   1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    C[18O]2         8.305e-09   8.314e-09    -8.081    -8.080     0.000     (0)  
 Ca            1.504e-03
@@ -944,62 +944,62 @@ Ca            1.504e-03
    CaCO3           7.501e-07   7.509e-07    -6.125    -6.124     0.000     (0)  
    CaH[13C]O3+     4.525e-07   4.219e-07    -6.344    -6.375    -0.030     (0)  
    CaHCO2[18O]+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
-   CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHC[18O]O2+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
+   CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    Ca[13C]O3       8.262e-09   8.270e-09    -8.083    -8.082     0.000     (0)  
    CaCO2[18O]      4.490e-09   4.494e-09    -8.348    -8.347     0.000     (0)  
-H(0)          1.407e-39
-   H2              7.037e-40   7.044e-40   -39.153   -39.152     0.000     (0)  
-O(0)          1.679e-14
-   O2              8.360e-15   8.369e-15   -14.078   -14.077     0.000     (0)  
-   O[18O]          3.336e-17   3.339e-17   -16.477   -16.476     0.000     (0)  
+H(0)          1.410e-39
+   H2              7.048e-40   7.055e-40   -39.152   -39.152     0.000     (0)  
+O(0)          1.673e-14
+   O2              8.334e-15   8.342e-15   -14.079   -14.079     0.000     (0)  
+   O[18O]          3.326e-17   3.329e-17   -16.478   -16.478     0.000     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.294  -124.294     0.000     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.292  -124.291     0.000     (0)  
 [13C](4)      5.391e-05
    H[13C]O3-       3.215e-05   2.993e-05    -4.493    -4.524    -0.031     (0)  
    [13C]O2         2.101e-05   2.103e-05    -4.678    -4.677     0.000     (0)  
    CaH[13C]O3+     4.525e-07   4.219e-07    -6.344    -6.375    -0.030     (0)  
    [13C]O[18O]     8.736e-08   8.745e-08    -7.059    -7.058     0.000     (0)  
    H[13C]O2[18O]-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
-   H[13C]O[18O]O-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
    H[13C][18O]O2-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
+   H[13C]O[18O]O-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
    Ca[13C]O3       8.262e-09   8.270e-09    -8.083    -8.082     0.000     (0)  
    [13C]O3-2       5.937e-09   4.456e-09    -8.226    -8.351    -0.125     (0)  
-   CaH[13C]O2[18O]+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    CaH[13C]O[18O]O+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    CaH[13C][18O]O2+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
+   CaH[13C]O2[18O]+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    H[13C]O[18O]2-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    H[13C][18O]2O-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    H[13C][18O]O[18O]-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    [13C][18O]2     9.082e-11   9.091e-11   -10.042   -10.041     0.000     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.420  -134.419     0.000     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.417  -134.416     0.000     (0)  
 [14C](4)      4.061e-15
    H[14C]O3-       2.430e-15   2.262e-15   -14.614   -14.645    -0.031     (0)  
    [14C]O2         1.574e-15   1.576e-15   -14.803   -14.802     0.000     (0)  
    CaH[14C]O3+     3.420e-17   3.189e-17   -16.466   -16.496    -0.030     (0)  
    [14C]O[18O]     6.547e-18   6.553e-18   -17.184   -17.184     0.000     (0)  
-   H[14C]O2[18O]-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    H[14C]O[18O]O-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
+   H[14C]O2[18O]-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    H[14C][18O]O2-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    Ca[14C]O3       6.236e-19   6.242e-19   -18.205   -18.205     0.000     (0)  
    [14C]O3-2       4.481e-19   3.364e-19   -18.349   -18.473    -0.125     (0)  
    CaH[14C]O2[18O]+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
-   CaH[14C]O[18O]O+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
    CaH[14C][18O]O2+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
+   CaH[14C]O[18O]O+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
    H[14C]O[18O]2-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
-   H[14C][18O]2O-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
    H[14C][18O]O[18O]-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
+   H[14C][18O]2O-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
    [14C][18O]2     6.806e-21   6.813e-21   -20.167   -20.167     0.000     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         7.989e-06   7.997e-06    -5.097    -5.097     0.000     (0)  
-   HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    HC[18O]O2-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-[18O](0)      3.343e-17
-   O[18O]          3.336e-17   3.339e-17   -16.477   -16.476     0.000     (0)  
-   [18O]2          3.328e-20   3.331e-20   -19.478   -19.477     0.000     (0)  
+   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+   HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+[18O](0)      3.332e-17
+   O[18O]          3.326e-17   3.329e-17   -16.478   -16.478     0.000     (0)  
+   [18O]2          3.318e-20   3.321e-20   -19.479   -19.479     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1033,7 +1033,7 @@ O(0)          1.679e-14
   H2(g)           -36.00    -39.15   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.18    -14.08   -2.89  O2
+  O2(g)           -11.19    -14.08   -2.89  O2
   O[18O](g)       -13.89    -16.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -1138,12 +1138,12 @@ Calcite                                     0.00e+00
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2771e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1             0             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -2.0204e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8202e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 
@@ -1160,14 +1160,14 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.750      Charge balance
-                                       pe  =  11.241      Adjusted to redox equilibrium
+                                       pe  =  11.210      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   5.871e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.012e-03
                        Total CO2 (mol/kg)  =   5.400e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   4
                                   Total H  = 1.110126e+02
@@ -1182,22 +1182,22 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
    OH-             6.090e-08   5.607e-08    -7.215    -7.251    -0.036     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.370  -122.369     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.123  -122.122     0.001     (0)  
 C(4)          5.400e-03
    HCO3-           3.868e-03   3.565e-03    -2.413    -2.448    -0.035     (0)  
    CO2             1.430e-03   1.432e-03    -2.845    -2.844     0.001     (0)  
    CaHCO3+         6.931e-05   6.403e-05    -4.159    -4.194    -0.034     (0)  
    HCO2[18O]-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
-   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    HC[18O]O2-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
+   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    CO[18O]         5.945e-06   5.953e-06    -5.226    -5.225     0.001     (0)  
    CaCO3           2.216e-06   2.219e-06    -5.654    -5.654     0.001     (0)  
    CO3-2           1.300e-06   9.385e-07    -5.886    -6.028    -0.142     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   HCO[18O]2-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
+   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    HC[18O]2O-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
+   HCO[18O]2-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
    HC[18O]O[18O]-   1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
    CaCO2[18O]      1.326e-08   1.328e-08    -7.877    -7.877     0.001     (0)  
    CO2[18O]-2      7.783e-09   5.618e-09    -8.109    -8.250    -0.142     (0)  
@@ -1208,30 +1208,30 @@ Ca            2.006e-03
    CaCO3           2.216e-06   2.219e-06    -5.654    -5.654     0.001     (0)  
    CaH[13C]O3+     7.650e-07   7.067e-07    -6.116    -6.151    -0.034     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
+   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    Ca[13C]O3       2.442e-08   2.445e-08    -7.612    -7.612     0.001     (0)  
    CaCO2[18O]      1.326e-08   1.328e-08    -7.877    -7.877     0.001     (0)  
-H(0)          1.483e-39
-   H2              7.415e-40   7.425e-40   -39.130   -39.129     0.001     (0)  
-O(0)          1.510e-14
-   O2              7.521e-15   7.531e-15   -14.124   -14.123     0.001     (0)  
-   O[18O]          3.001e-17   3.005e-17   -16.523   -16.522     0.001     (0)  
+H(0)          1.710e-39
+   H2              8.549e-40   8.560e-40   -39.068   -39.068     0.001     (0)  
+O(0)          1.136e-14
+   O2              5.658e-15   5.666e-15   -14.247   -14.247     0.001     (0)  
+   O[18O]          2.258e-17   2.261e-17   -16.646   -16.646     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.331  -124.330     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.084  -124.083     0.001     (0)  
 [13C](4)      5.947e-05
    H[13C]O3-       4.269e-05   3.935e-05    -4.370    -4.405    -0.035     (0)  
    [13C]O2         1.564e-05   1.566e-05    -4.806    -4.805     0.001     (0)  
    CaH[13C]O3+     7.650e-07   7.067e-07    -6.116    -6.151    -0.034     (0)  
    H[13C]O2[18O]-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
-   H[13C]O[18O]O-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
    H[13C][18O]O2-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
+   H[13C]O[18O]O-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
    [13C]O[18O]     6.505e-08   6.514e-08    -7.187    -7.186     0.001     (0)  
    Ca[13C]O3       2.442e-08   2.445e-08    -7.612    -7.612     0.001     (0)  
    [13C]O3-2       1.433e-08   1.034e-08    -7.844    -7.985    -0.142     (0)  
+   CaH[13C][18O]O2+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    CaH[13C]O2[18O]+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    CaH[13C]O[18O]O+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
-   CaH[13C][18O]O2+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    H[13C]O[18O]2-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
    H[13C][18O]2O-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
    H[13C][18O]O[18O]-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
@@ -1239,52 +1239,52 @@ O(0)          1.510e-14
    [13C]O2[18O]-2   8.578e-11   6.191e-11   -10.067   -10.208    -0.142     (0)  
    [13C][18O]2     6.763e-11   6.772e-11   -10.170   -10.169     0.001     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.499  -134.499     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.252  -134.251     0.001     (0)  
 [14C](4)      4.061e-15
    H[14C]O3-       2.922e-15   2.694e-15   -14.534   -14.570    -0.035     (0)  
    [14C]O2         1.062e-15   1.063e-15   -14.974   -14.973     0.001     (0)  
    CaH[14C]O3+     5.236e-17   4.837e-17   -16.281   -16.315    -0.034     (0)  
-   H[14C]O2[18O]-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
-   H[14C]O[18O]O-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
    H[14C][18O]O2-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
+   H[14C]O[18O]O-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
+   H[14C]O2[18O]-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
    [14C]O[18O]     4.414e-18   4.420e-18   -17.355   -17.355     0.001     (0)  
    Ca[14C]O3       1.669e-18   1.671e-18   -17.777   -17.777     0.001     (0)  
    [14C]O3-2       9.796e-19   7.070e-19   -18.009   -18.151    -0.142     (0)  
    CaH[14C]O2[18O]+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
-   CaH[14C]O[18O]O+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
    CaH[14C][18O]O2+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
-   H[14C]O[18O]2-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
-   H[14C][18O]2O-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   CaH[14C]O[18O]O+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
    H[14C][18O]O[18O]-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   H[14C][18O]2O-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   H[14C]O[18O]2-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
    Ca[14C]O2[18O]   9.991e-21   1.000e-20   -20.000   -20.000     0.001     (0)  
    [14C]O2[18O]-2   5.863e-21   4.232e-21   -20.232   -20.373    -0.142     (0)  
    [14C][18O]2     4.589e-21   4.595e-21   -20.338   -20.338     0.001     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
-   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    HC[18O]O2-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
+   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    CO[18O]         5.945e-06   5.953e-06    -5.226    -5.225     0.001     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-[18O](0)      3.007e-17
-   O[18O]          3.001e-17   3.005e-17   -16.523   -16.522     0.001     (0)  
-   [18O]2          2.994e-20   2.998e-20   -19.524   -19.523     0.001     (0)  
+[18O](0)      2.262e-17
+   O[18O]          2.258e-17   2.261e-17   -16.646   -16.646     0.001     (0)  
+   [18O]2          2.252e-20   2.256e-20   -19.647   -19.647     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.70    -10.21   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.47   -124.33   -2.86  [13C]H4
+  [13C]H4(g)     -121.22   -124.08   -2.86  [13C]H4
   [13C]O2(g)       -3.34     -4.81   -1.47  [13C]O2
   [13C]O[18O](g)   -5.72     -7.51   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.87    -20.37   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.64   -134.50   -2.86  [14C]H4
+  [14C]H4(g)     -131.39   -134.25   -2.86  [14C]H4
   [14C]O2(g)      -13.50    -14.97   -1.47  [14C]O2
   [14C]O[18O](g)  -15.89    -17.67   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.23    -19.52   -2.29  [18O]2
+  [18O]2(g)       -17.36    -19.65   -2.29  [18O]2
   C[18O]2(g)       -6.74     -8.24   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.42     -2.26    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.57      3.14    7.71  Ca[13C]O2[18O]
@@ -1298,14 +1298,14 @@ O(0)          1.510e-14
   CaCO2[18O](s)    -2.61      5.10    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -5.30      2.40    7.70  CaCO[18O]2
   Calcite          -0.40     -8.88   -8.48  CaCO3
-  CH4(g)         -119.51   -122.37   -2.86  CH4
+  CH4(g)         -119.26   -122.12   -2.86  CH4
   CO2(g)           -1.38     -2.84   -1.47  CO2
   CO[18O](g)       -3.76     -5.54   -1.79  CO[18O]
-  H2(g)           -35.98    -39.13   -3.15  H2
+  H2(g)           -35.92    -39.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.23    -14.12   -2.89  O2
-  O[18O](g)       -13.93    -16.82   -2.89  O[18O]
+  O2(g)           -11.35    -14.25   -2.89  O2
+  O[18O](g)       -14.05    -16.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1412,12 +1412,12 @@ Calcite                                     5.60e-05
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2738e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7115e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.653e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -1437,16 +1437,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.984      Adjusted to redox equilibrium
+                                       pe  =  10.791      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.841e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  73
+                               Iterations  =  77
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -1459,24 +1459,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.385  -122.384     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -120.842  -120.842     0.001     (0)  
 C(4)          5.841e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.976e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.802e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -1484,50 +1484,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.097e-06   1.006e-06    -5.960    -5.997    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.023e-08   6.033e-08    -7.220    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.609e-39
-   H2              8.044e-40   8.057e-40   -39.095   -39.094     0.001     (0)  
-O(0)          1.282e-14
-   O2              6.385e-15   6.396e-15   -14.195   -14.194     0.001     (0)  
-   O[18O]          2.548e-17   2.552e-17   -16.594   -16.593     0.001     (0)  
+H(0)          3.910e-39
+   H2              1.955e-39   1.958e-39   -38.709   -38.708     0.001     (0)  
+O(0)          2.171e-15
+   O2              1.081e-15   1.083e-15   -14.966   -14.965     0.001     (0)  
+   O[18O]          4.314e-18   4.321e-18   -17.365   -17.364     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.346  -124.345     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -122.803  -122.802     0.001     (0)  
 [13C](4)      6.441e-05
    H[13C]O3-       5.195e-05   4.753e-05    -4.284    -4.323    -0.039     (0)  
    [13C]O2         1.090e-05   1.092e-05    -4.962    -4.962     0.001     (0)  
    CaH[13C]O3+     1.097e-06   1.006e-06    -5.960    -5.997    -0.037     (0)  
-   H[13C]O2[18O]-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
-   H[13C]O[18O]O-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
    H[13C][18O]O2-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O[18O]O-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O2[18O]-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
    Ca[13C]O3       6.023e-08   6.033e-08    -7.220    -7.219     0.001     (0)  
    [13C]O[18O]     4.534e-08   4.542e-08    -7.343    -7.343     0.001     (0)  
    [13C]O3-2       3.090e-08   2.164e-08    -7.510    -7.665    -0.155     (0)  
+   CaH[13C][18O]O2+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    CaH[13C]O2[18O]+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    CaH[13C]O[18O]O+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
-   CaH[13C][18O]O2+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    Ca[13C]O2[18O]   3.605e-10   3.611e-10    -9.443    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
-   H[13C][18O]2O-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
    H[13C][18O]O[18O]-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C][18O]2O-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C]O[18O]2-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
    [13C]O2[18O]-2   1.849e-10   1.295e-10    -9.733    -9.888    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.553  -134.552     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -133.011  -133.010     0.001     (0)  
 [14C](4)      4.023e-15
    H[14C]O3-       3.250e-15   2.973e-15   -14.488   -14.527    -0.039     (0)  
    [14C]O2         6.762e-16   6.773e-16   -15.170   -15.169     0.001     (0)  
    CaH[14C]O3+     6.862e-17   6.295e-17   -16.164   -16.201    -0.037     (0)  
-   H[14C]O2[18O]-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
-   H[14C]O[18O]O-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
    H[14C][18O]O2-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
+   H[14C]O[18O]O-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
+   H[14C]O2[18O]-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
    Ca[14C]O3       3.762e-18   3.768e-18   -17.425   -17.424     0.001     (0)  
    [14C]O[18O]     2.812e-18   2.816e-18   -17.551   -17.550     0.001     (0)  
    [14C]O3-2       1.930e-18   1.352e-18   -17.715   -17.869    -0.155     (0)  
    CaH[14C]O2[18O]+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
    CaH[14C][18O]O2+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
    Ca[14C]O2[18O]   2.252e-20   2.255e-20   -19.648   -19.647     0.001     (0)  
    H[14C]O[18O]2-   1.294e-20   1.183e-20   -19.888   -19.927    -0.039     (0)  
    H[14C][18O]2O-   1.294e-20   1.183e-20   -19.888   -19.927    -0.039     (0)  
@@ -1536,29 +1536,29 @@ O(0)          1.282e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.553e-17
-   O[18O]          2.548e-17   2.552e-17   -16.594   -16.593     0.001     (0)  
-   [18O]2          2.542e-20   2.546e-20   -19.595   -19.594     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      4.323e-18
+   O[18O]          4.314e-18   4.321e-18   -17.365   -17.364     0.001     (0)  
+   [18O]2          4.304e-21   4.311e-21   -20.366   -20.365     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.48   -124.34   -2.86  [13C]H4
+  [13C]H4(g)     -119.94   -122.80   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.07    -20.57   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.69   -134.55   -2.86  [14C]H4
+  [14C]H4(g)     -130.15   -133.01   -2.86  [14C]H4
   [14C]O2(g)      -13.70    -15.17   -1.47  [14C]O2
   [14C]O[18O](g)  -16.08    -17.87   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.30    -19.59   -2.29  [18O]2
+  [18O]2(g)       -18.08    -20.37   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -1572,14 +1572,14 @@ O(0)          1.282e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.52   -122.38   -2.86  CH4
+  CH4(g)         -117.98   -120.84   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.94    -39.09   -3.15  H2
+  H2(g)           -35.56    -38.71   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.30    -14.19   -2.89  O2
-  O[18O](g)       -14.00    -16.89   -2.89  O[18O]
+  O2(g)           -12.07    -14.97   -2.89  O2
+  O[18O](g)       -14.77    -17.67   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1603,6 +1603,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 12.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -1664,7 +1670,6 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99518e-03	        -4.9969  permil    
      R(18O) OH-          	 1.92121e-03	        -41.884  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
-     R(18O) O2(aq)       	 1.99518e-03	        -4.9969  permil    
      R(13C) CO2(aq)      	 1.09594e-02	        -19.751  permil    
      R(14C) CO2(aq)      	 6.25457e-13	          53.19  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
@@ -1674,6 +1679,8 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99518e-03	        -4.9969  permil    
      R(13C) CO3-2        	 1.10389e-02	        -12.642  permil    
      R(14C) CO3-2        	 6.34562e-13	         53.964  pmc       
+     R(13C) CH4(aq)      	 1.09594e-02	        -19.751  permil    
+     R(14C) CH4(aq)      	 6.25457e-13	          53.19  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.649  permil    
      R(13C) Calcite      	 1.10766e-02	        -9.2642  permil    
      R(14C) Calcite      	 6.38911e-13	         54.334  pmc       
@@ -1686,14 +1693,15 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2267e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1    6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7817e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7905e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.7431e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    -4.885e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -1711,16 +1719,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.946      Adjusted to redox equilibrium
+                                       pe  =  -1.455      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.841e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  71
+                               Iterations  = 133 (234 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -1732,14 +1740,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.078  -122.078     0.001     (0)  
+C(-4)         1.346e-23
+   CH4             1.346e-23   1.348e-23   -22.871   -22.870     0.001     (0)  
 C(4)          5.841e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -1748,9 +1756,9 @@ C(4)          5.841e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -1758,23 +1766,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.098e-06   1.007e-06    -5.959    -5.997    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.028e-08   6.038e-08    -7.220    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.919e-39
-   H2              9.597e-40   9.612e-40   -39.018   -39.017     0.001     (0)  
-O(0)          9.008e-15
-   O2              4.486e-15   4.493e-15   -14.348   -14.347     0.001     (0)  
-   O[18O]          1.790e-17   1.793e-17   -16.747   -16.746     0.001     (0)  
-[13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.039  -124.038     0.001     (0)  
+H(0)          1.216e-14
+   H2              6.081e-15   6.091e-15   -14.216   -14.215     0.001     (0)  
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -63.952   -63.951     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.351   -66.350     0.001     (0)  
+[13C](-4)     1.475e-25
+   [13C]H4         1.475e-25   1.477e-25   -24.831   -24.831     0.001     (0)  
 [13C](4)      6.447e-05
    H[13C]O3-       5.200e-05   4.757e-05    -4.284    -4.323    -0.039     (0)  
    [13C]O2         1.091e-05   1.093e-05    -4.962    -4.961     0.001     (0)  
    CaH[13C]O3+     1.098e-06   1.007e-06    -5.959    -5.997    -0.037     (0)  
-   H[13C]O2[18O]-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    H[13C]O[18O]O-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O2[18O]-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    H[13C][18O]O2-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    Ca[13C]O3       6.028e-08   6.038e-08    -7.220    -7.219     0.001     (0)  
    [13C]O[18O]     4.539e-08   4.546e-08    -7.343    -7.342     0.001     (0)  
@@ -1783,56 +1791,56 @@ O(0)          9.008e-15
    CaH[13C]O[18O]O+   2.191e-09   2.010e-09    -8.659    -8.697    -0.037     (0)  
    CaH[13C][18O]O2+   2.191e-09   2.010e-09    -8.659    -8.697    -0.037     (0)  
    Ca[13C]O2[18O]   3.608e-10   3.614e-10    -9.443    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
-   H[13C][18O]2O-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
    H[13C][18O]O[18O]-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C][18O]2O-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C]O[18O]2-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
    [13C]O2[18O]-2   1.851e-10   1.297e-10    -9.733    -9.887    -0.155     (0)  
-[14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.282  -134.281     0.001     (0)  
+[14C](-4)     8.417e-36
+   [14C]H4         8.417e-36   8.431e-36   -35.075   -35.074     0.001     (0)  
 [14C](4)      3.706e-15
    H[14C]O3-       2.994e-15   2.739e-15   -14.524   -14.562    -0.039     (0)  
    [14C]O2         6.229e-16   6.239e-16   -15.206   -15.205     0.001     (0)  
    CaH[14C]O3+     6.321e-17   5.799e-17   -16.199   -16.237    -0.037     (0)  
-   H[14C]O2[18O]-   5.973e-18   5.464e-18   -17.224   -17.262    -0.039     (0)  
-   H[14C]O[18O]O-   5.973e-18   5.464e-18   -17.224   -17.262    -0.039     (0)  
    H[14C][18O]O2-   5.973e-18   5.464e-18   -17.224   -17.262    -0.039     (0)  
+   H[14C]O[18O]O-   5.973e-18   5.464e-18   -17.224   -17.262    -0.039     (0)  
+   H[14C]O2[18O]-   5.973e-18   5.464e-18   -17.224   -17.262    -0.039     (0)  
    Ca[14C]O3       3.465e-18   3.471e-18   -17.460   -17.460     0.001     (0)  
    [14C]O[18O]     2.590e-18   2.594e-18   -17.587   -17.586     0.001     (0)  
    [14C]O3-2       1.778e-18   1.245e-18   -17.750   -17.905    -0.155     (0)  
    CaH[14C]O2[18O]+   1.261e-19   1.157e-19   -18.899   -18.937    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.261e-19   1.157e-19   -18.899   -18.937    -0.037     (0)  
    CaH[14C][18O]O2+   1.261e-19   1.157e-19   -18.899   -18.937    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.261e-19   1.157e-19   -18.899   -18.937    -0.037     (0)  
    Ca[14C]O2[18O]   2.074e-20   2.078e-20   -19.683   -19.682     0.001     (0)  
-   H[14C]O[18O]2-   1.192e-20   1.090e-20   -19.924   -19.962    -0.039     (0)  
    H[14C][18O]2O-   1.192e-20   1.090e-20   -19.924   -19.962    -0.039     (0)  
    H[14C][18O]O[18O]-   1.192e-20   1.090e-20   -19.924   -19.962    -0.039     (0)  
+   H[14C]O[18O]2-   1.192e-20   1.090e-20   -19.924   -19.962    -0.039     (0)  
    [14C]O2[18O]-2   1.064e-20   7.454e-21   -19.973   -20.128    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.794e-17
-   O[18O]          1.790e-17   1.793e-17   -16.747   -16.746     0.001     (0)  
-   [18O]2          1.786e-20   1.789e-20   -19.748   -19.747     0.001     (0)  
+[18O](0)      0.000e+00
+   O[18O]          0.000e+00   0.000e+00   -66.351   -66.350     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.352   -69.351     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.18   -124.04   -2.86  [13C]H4
+  [13C]H4(g)      -21.97    -24.83   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.10    -20.60   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.42   -134.28   -2.86  [14C]H4
+  [14C]H4(g)      -32.21    -35.07   -2.86  [14C]H4
   [14C]O2(g)      -13.74    -15.20   -1.47  [14C]O2
   [14C]O[18O](g)  -16.12    -17.90   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.46    -19.75   -2.29  [18O]2
+  [18O]2(g)       -67.06    -69.35   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -1846,14 +1854,14 @@ O(0)          9.008e-15
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.22   -122.08   -2.86  CH4
+  CH4(g)          -20.01    -22.87   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.87    -39.02   -3.15  H2
+  H2(g)           -11.07    -14.22   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.46    -14.35   -2.89  O2
-  O[18O](g)       -14.16    -17.05   -2.89  O[18O]
+  O2(g)           -61.06    -63.95   -2.89  O2
+  O[18O](g)       -63.76    -66.65   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1968,14 +1976,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.4385e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -8.2157e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6691e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.542e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.5321e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -3.1086e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -1993,16 +2001,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.710      Adjusted to redox equilibrium
+                                       pe  =  -1.627      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  66 (167 overall)
+                               Iterations  =  79 (180 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -2014,25 +2022,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.477e-21
-   CH4             1.477e-21   1.480e-21   -20.831   -20.830     0.001     (0)  
+C(-4)         3.178e-22
+   CH4             3.178e-22   3.183e-22   -21.498   -21.497     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -2040,81 +2048,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.099e-06   1.008e-06    -5.959    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.034e-08   6.044e-08    -7.219    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.936e-14
-   H2              1.968e-14   1.971e-14   -13.706   -13.705     0.001     (0)  
+H(0)          2.681e-14
+   H2              1.340e-14   1.343e-14   -13.873   -13.872     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.972   -64.971     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.371   -67.370     0.001     (0)  
-[13C](-4)     1.620e-23
-   [13C]H4         1.620e-23   1.623e-23   -22.790   -22.790     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.638   -64.638     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.037   -67.037     0.001     (0)  
+[13C](-4)     3.486e-24
+   [13C]H4         3.486e-24   3.491e-24   -23.458   -23.457     0.001     (0)  
 [13C](4)      6.453e-05
    H[13C]O3-       5.205e-05   4.762e-05    -4.284    -4.322    -0.039     (0)  
    [13C]O2         1.092e-05   1.094e-05    -4.962    -4.961     0.001     (0)  
    CaH[13C]O3+     1.099e-06   1.008e-06    -5.959    -5.996    -0.037     (0)  
    H[13C]O2[18O]-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
-   H[13C]O[18O]O-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
+   H[13C]O[18O]O-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
    Ca[13C]O3       6.034e-08   6.044e-08    -7.219    -7.219     0.001     (0)  
    [13C]O[18O]     4.543e-08   4.550e-08    -7.343    -7.342     0.001     (0)  
    [13C]O3-2       3.095e-08   2.168e-08    -7.509    -7.664    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.193e-09   2.012e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O[18O]O+   2.193e-09   2.012e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C][18O]O2+   2.193e-09   2.012e-09    -8.659    -8.696    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.193e-09   2.012e-09    -8.659    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.612e-10   3.618e-10    -9.442    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.072e-10   1.896e-10    -9.684    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.072e-10   1.896e-10    -9.684    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.072e-10   1.896e-10    -9.684    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.072e-10   1.896e-10    -9.684    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.072e-10   1.896e-10    -9.684    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.853e-10   1.298e-10    -9.732    -9.887    -0.155     (0)  
-[14C](-4)     8.511e-34
-   [14C]H4         8.511e-34   8.525e-34   -33.070   -33.069     0.001     (0)  
+[14C](-4)     1.831e-34
+   [14C]H4         1.831e-34   1.834e-34   -33.737   -33.737     0.001     (0)  
 [14C](4)      3.414e-15
    H[14C]O3-       2.758e-15   2.523e-15   -14.559   -14.598    -0.039     (0)  
    [14C]O2         5.738e-16   5.748e-16   -15.241   -15.241     0.001     (0)  
    CaH[14C]O3+     5.823e-17   5.342e-17   -16.235   -16.272    -0.037     (0)  
-   H[14C]O2[18O]-   5.502e-18   5.034e-18   -17.259   -17.298    -0.039     (0)  
-   H[14C]O[18O]O-   5.502e-18   5.034e-18   -17.259   -17.298    -0.039     (0)  
    H[14C][18O]O2-   5.502e-18   5.034e-18   -17.259   -17.298    -0.039     (0)  
+   H[14C]O[18O]O-   5.502e-18   5.034e-18   -17.259   -17.298    -0.039     (0)  
+   H[14C]O2[18O]-   5.502e-18   5.034e-18   -17.259   -17.298    -0.039     (0)  
    Ca[14C]O3       3.192e-18   3.198e-18   -17.496   -17.495     0.001     (0)  
    [14C]O[18O]     2.386e-18   2.390e-18   -17.622   -17.622     0.001     (0)  
    [14C]O3-2       1.638e-18   1.147e-18   -17.786   -17.940    -0.155     (0)  
    CaH[14C]O2[18O]+   1.162e-19   1.066e-19   -18.935   -18.972    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.162e-19   1.066e-19   -18.935   -18.972    -0.037     (0)  
    CaH[14C][18O]O2+   1.162e-19   1.066e-19   -18.935   -18.972    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.162e-19   1.066e-19   -18.935   -18.972    -0.037     (0)  
    Ca[14C]O2[18O]   1.911e-20   1.914e-20   -19.719   -19.718     0.001     (0)  
+   H[14C][18O]O[18O]-   1.098e-20   1.004e-20   -19.959   -19.998    -0.039     (0)  
    H[14C]O[18O]2-   1.098e-20   1.004e-20   -19.959   -19.998    -0.039     (0)  
    H[14C][18O]2O-   1.098e-20   1.004e-20   -19.959   -19.998    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.098e-20   1.004e-20   -19.959   -19.998    -0.039     (0)  
    [14C]O2[18O]-2   9.802e-21   6.867e-21   -20.009   -20.163    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.371   -67.370     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.372   -70.371     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.037   -67.037     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.038   -70.038     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.93    -22.79   -2.86  [13C]H4
+  [13C]H4(g)      -20.60    -23.46   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.14    -20.64   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.21    -33.07   -2.86  [14C]H4
+  [14C]H4(g)      -30.88    -33.74   -2.86  [14C]H4
   [14C]O2(g)      -13.77    -15.24   -1.47  [14C]O2
   [14C]O[18O](g)  -16.15    -17.94   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.08    -70.37   -2.29  [18O]2
+  [18O]2(g)       -67.75    -70.04   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -2128,14 +2136,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.97    -20.83   -2.86  CH4
+  CH4(g)          -18.64    -21.50   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.56    -13.71   -3.15  H2
+  H2(g)           -10.72    -13.87   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.08    -64.97   -2.89  O2
-  O[18O](g)       -64.78    -67.67   -2.89  O[18O]
+  O2(g)           -61.75    -64.64   -2.89  O2
+  O[18O](g)       -64.45    -67.34   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2159,12 +2167,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 14.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -2250,14 +2252,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6441e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7215e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    -9.992e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -2275,16 +2277,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.918      Adjusted to redox equilibrium
+                                       pe  =  -1.851      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 176 (277 overall)
+                               Iterations  =  80
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -2296,15 +2298,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         6.803e-20
-   CH4             6.803e-20   6.814e-20   -19.167   -19.167     0.001     (0)  
+C(-4)         1.988e-20
+   CH4             1.988e-20   1.991e-20   -19.702   -19.701     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
@@ -2312,9 +2314,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -2322,50 +2324,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.959    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.039e-08   6.049e-08    -7.219    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.025e-13
-   H2              5.127e-14   5.136e-14   -13.290   -13.289     0.001     (0)  
+H(0)          7.540e-14
+   H2              3.770e-14   3.776e-14   -13.424   -13.423     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.804   -65.803     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.203   -68.202     0.001     (0)  
-[13C](-4)     7.468e-22
-   [13C]H4         7.468e-22   7.481e-22   -21.127   -21.126     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.537   -65.536     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.936   -67.935     0.001     (0)  
+[13C](-4)     2.182e-22
+   [13C]H4         2.182e-22   2.186e-22   -21.661   -21.660     0.001     (0)  
 [13C](4)      6.458e-05
    H[13C]O3-       5.209e-05   4.766e-05    -4.283    -4.322    -0.039     (0)  
    [13C]O2         1.093e-05   1.095e-05    -4.961    -4.961     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.959    -5.996    -0.037     (0)  
-   H[13C]O2[18O]-   1.039e-07   9.508e-08    -6.983    -7.022    -0.039     (0)  
-   H[13C]O[18O]O-   1.039e-07   9.508e-08    -6.983    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.039e-07   9.508e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O[18O]O-   1.039e-07   9.508e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O2[18O]-   1.039e-07   9.508e-08    -6.983    -7.022    -0.039     (0)  
    Ca[13C]O3       6.039e-08   6.049e-08    -7.219    -7.218     0.001     (0)  
    [13C]O[18O]     4.546e-08   4.554e-08    -7.342    -7.342     0.001     (0)  
    [13C]O3-2       3.098e-08   2.170e-08    -7.509    -7.664    -0.155     (0)  
+   CaH[13C][18O]O2+   2.195e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O2[18O]+   2.195e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O[18O]O+   2.195e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
-   CaH[13C][18O]O2+   2.195e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.615e-10   3.620e-10    -9.442    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.074e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.074e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.074e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.074e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.074e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.854e-10   1.299e-10    -9.732    -9.886    -0.155     (0)  
-[14C](-4)     3.611e-32
-   [14C]H4         3.611e-32   3.617e-32   -31.442   -31.442     0.001     (0)  
+[14C](-4)     1.055e-32
+   [14C]H4         1.055e-32   1.057e-32   -31.977   -31.976     0.001     (0)  
 [14C](4)      3.145e-15
    H[14C]O3-       2.541e-15   2.324e-15   -14.595   -14.634    -0.039     (0)  
    [14C]O2         5.286e-16   5.295e-16   -15.277   -15.276     0.001     (0)  
    CaH[14C]O3+     5.365e-17   4.921e-17   -16.270   -16.308    -0.037     (0)  
-   H[14C]O2[18O]-   5.069e-18   4.637e-18   -17.295   -17.334    -0.039     (0)  
-   H[14C]O[18O]O-   5.069e-18   4.637e-18   -17.295   -17.334    -0.039     (0)  
    H[14C][18O]O2-   5.069e-18   4.637e-18   -17.295   -17.334    -0.039     (0)  
+   H[14C]O[18O]O-   5.069e-18   4.637e-18   -17.295   -17.334    -0.039     (0)  
+   H[14C]O2[18O]-   5.069e-18   4.637e-18   -17.295   -17.334    -0.039     (0)  
    Ca[14C]O3       2.941e-18   2.946e-18   -17.532   -17.531     0.001     (0)  
    [14C]O[18O]     2.198e-18   2.202e-18   -17.658   -17.657     0.001     (0)  
    [14C]O3-2       1.509e-18   1.057e-18   -17.821   -17.976    -0.155     (0)  
    CaH[14C]O2[18O]+   1.070e-19   9.819e-20   -18.970   -19.008    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.070e-19   9.819e-20   -18.970   -19.008    -0.037     (0)  
    CaH[14C][18O]O2+   1.070e-19   9.819e-20   -18.970   -19.008    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.070e-19   9.819e-20   -18.970   -19.008    -0.037     (0)  
    Ca[14C]O2[18O]   1.760e-20   1.763e-20   -19.754   -19.754     0.001     (0)  
    H[14C]O[18O]2-   1.011e-20   9.252e-21   -19.995   -20.034    -0.039     (0)  
    H[14C][18O]2O-   1.011e-20   9.252e-21   -19.995   -20.034    -0.039     (0)  
@@ -2374,29 +2376,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.203   -68.202     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.204   -71.203     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.936   -67.935     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.937   -70.936     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.27    -21.13   -2.86  [13C]H4
+  [13C]H4(g)      -18.80    -21.66   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.17    -20.68   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.58    -31.44   -2.86  [14C]H4
+  [14C]H4(g)      -29.12    -31.98   -2.86  [14C]H4
   [14C]O2(g)      -13.81    -15.28   -1.47  [14C]O2
   [14C]O[18O](g)  -16.19    -17.98   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.91    -71.20   -2.29  [18O]2
+  [18O]2(g)       -68.65    -70.94   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -2410,14 +2412,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.31    -19.17   -2.86  CH4
+  CH4(g)          -16.84    -19.70   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.14    -13.29   -3.15  H2
+  H2(g)           -10.27    -13.42   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.91    -65.80   -2.89  O2
-  O[18O](g)       -65.61    -68.50   -2.89  O[18O]
+  O2(g)           -62.64    -65.54   -2.89  O2
+  O[18O](g)       -65.34    -68.24   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2526,14 +2528,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6498e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6854e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    8.8818e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -2.8866e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.3307e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -2551,16 +2553,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.984      Adjusted to redox equilibrium
+                                       pe  =  -1.832      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.829e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  47
+                               Iterations  =  58
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -2572,25 +2574,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.274e-19
-   CH4             2.274e-19   2.277e-19   -18.643   -18.643     0.001     (0)  
+C(-4)         1.391e-20
+   CH4             1.391e-20   1.393e-20   -19.857   -19.856     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -2598,23 +2600,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.101e-06   1.010e-06    -5.958    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.043e-08   6.053e-08    -7.219    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.387e-13
-   H2              6.933e-14   6.944e-14   -13.159   -13.158     0.001     (0)  
+H(0)          6.896e-14
+   H2              3.448e-14   3.453e-14   -13.462   -13.462     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.066   -66.065     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.465   -68.464     0.001     (0)  
-[13C](-4)     2.498e-21
-   [13C]H4         2.498e-21   2.502e-21   -20.602   -20.602     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.459   -65.458     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.858   -67.857     0.001     (0)  
+[13C](-4)     1.528e-22
+   [13C]H4         1.528e-22   1.531e-22   -21.816   -21.815     0.001     (0)  
 [13C](4)      6.463e-05
    H[13C]O3-       5.213e-05   4.769e-05    -4.283    -4.322    -0.039     (0)  
    [13C]O2         1.094e-05   1.096e-05    -4.961    -4.960     0.001     (0)  
    CaH[13C]O3+     1.101e-06   1.010e-06    -5.958    -5.996    -0.037     (0)  
-   H[13C]O2[18O]-   1.040e-07   9.515e-08    -6.983    -7.022    -0.039     (0)  
    H[13C]O[18O]O-   1.040e-07   9.515e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O2[18O]-   1.040e-07   9.515e-08    -6.983    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.040e-07   9.515e-08    -6.983    -7.022    -0.039     (0)  
    Ca[13C]O3       6.043e-08   6.053e-08    -7.219    -7.218     0.001     (0)  
    [13C]O[18O]     4.550e-08   4.557e-08    -7.342    -7.341     0.001     (0)  
@@ -2623,56 +2625,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.196e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
    CaH[13C][18O]O2+   2.196e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.617e-10   3.623e-10    -9.442    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.075e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.075e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.075e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.075e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.075e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.856e-10   1.300e-10    -9.732    -9.886    -0.155     (0)  
-[14C](-4)     1.112e-31
-   [14C]H4         1.112e-31   1.114e-31   -30.954   -30.953     0.001     (0)  
+[14C](-4)     6.801e-33
+   [14C]H4         6.801e-33   6.812e-33   -32.167   -32.167     0.001     (0)  
 [14C](4)      2.897e-15
    H[14C]O3-       2.340e-15   2.141e-15   -14.631   -14.669    -0.039     (0)  
    [14C]O2         4.870e-16   4.878e-16   -15.312   -15.312     0.001     (0)  
    CaH[14C]O3+     4.942e-17   4.534e-17   -16.306   -16.344    -0.037     (0)  
-   H[14C]O2[18O]-   4.670e-18   4.272e-18   -17.331   -17.369    -0.039     (0)  
-   H[14C]O[18O]O-   4.670e-18   4.272e-18   -17.331   -17.369    -0.039     (0)  
    H[14C][18O]O2-   4.670e-18   4.272e-18   -17.331   -17.369    -0.039     (0)  
+   H[14C]O[18O]O-   4.670e-18   4.272e-18   -17.331   -17.369    -0.039     (0)  
+   H[14C]O2[18O]-   4.670e-18   4.272e-18   -17.331   -17.369    -0.039     (0)  
    Ca[14C]O3       2.709e-18   2.714e-18   -17.567   -17.566     0.001     (0)  
    [14C]O[18O]     2.025e-18   2.028e-18   -17.694   -17.693     0.001     (0)  
    [14C]O3-2       1.390e-18   9.736e-19   -17.857   -18.012    -0.155     (0)  
    CaH[14C]O2[18O]+   9.861e-20   9.045e-20   -19.006   -19.044    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.861e-20   9.045e-20   -19.006   -19.044    -0.037     (0)  
    CaH[14C][18O]O2+   9.861e-20   9.045e-20   -19.006   -19.044    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.861e-20   9.045e-20   -19.006   -19.044    -0.037     (0)  
    Ca[14C]O2[18O]   1.622e-20   1.624e-20   -19.790   -19.789     0.001     (0)  
-   H[14C]O[18O]2-   9.317e-21   8.523e-21   -20.031   -20.069    -0.039     (0)  
    H[14C][18O]2O-   9.317e-21   8.523e-21   -20.031   -20.069    -0.039     (0)  
    H[14C][18O]O[18O]-   9.317e-21   8.523e-21   -20.031   -20.069    -0.039     (0)  
+   H[14C]O[18O]2-   9.317e-21   8.523e-21   -20.031   -20.069    -0.039     (0)  
    [14C]O2[18O]-2   8.319e-21   5.828e-21   -20.080   -20.234    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.465   -68.464     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.466   -71.465     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.858   -67.857     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.859   -70.858     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -17.74    -20.60   -2.86  [13C]H4
+  [13C]H4(g)      -18.96    -21.82   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.21    -20.71   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.09    -30.95   -2.86  [14C]H4
+  [14C]H4(g)      -29.31    -32.17   -2.86  [14C]H4
   [14C]O2(g)      -13.84    -15.31   -1.47  [14C]O2
   [14C]O[18O](g)  -16.22    -18.01   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.17    -71.47   -2.29  [18O]2
+  [18O]2(g)       -68.57    -70.86   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -2686,14 +2688,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -15.78    -18.64   -2.86  CH4
+  CH4(g)          -17.00    -19.86   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.01    -13.16   -3.15  H2
+  H2(g)           -10.31    -13.46   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.17    -66.06   -2.89  O2
-  O[18O](g)       -65.87    -68.77   -2.89  O[18O]
+  O2(g)           -62.57    -65.46   -2.89  O2
+  O[18O](g)       -65.27    -68.16   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2802,14 +2804,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.4385e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6473e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7835e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2101e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.0214e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -2827,16 +2829,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.979      Adjusted to redox equilibrium
+                                       pe  =  -1.890      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.828e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  51
+                               Iterations  =  53
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -2848,15 +2850,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.099e-19
-   CH4             2.099e-19   2.102e-19   -18.678   -18.677     0.001     (0)  
+C(-4)         4.094e-20
+   CH4             4.094e-20   4.101e-20   -19.388   -19.387     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
@@ -2864,9 +2866,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -2874,81 +2876,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.048e-08   6.057e-08    -7.218    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.359e-13
-   H2              6.796e-14   6.807e-14   -13.168   -13.167     0.001     (0)  
+H(0)          9.032e-14
+   H2              4.516e-14   4.524e-14   -13.345   -13.345     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.048   -66.048     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.447   -68.447     0.001     (0)  
-[13C](-4)     2.308e-21
-   [13C]H4         2.308e-21   2.312e-21   -20.637   -20.636     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.693   -65.693     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.092   -68.092     0.001     (0)  
+[13C](-4)     4.501e-22
+   [13C]H4         4.501e-22   4.509e-22   -21.347   -21.346     0.001     (0)  
 [13C](4)      6.467e-05
    H[13C]O3-       5.217e-05   4.772e-05    -4.283    -4.321    -0.039     (0)  
    [13C]O2         1.095e-05   1.097e-05    -4.961    -4.960     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    H[13C]O2[18O]-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
    Ca[13C]O3       6.048e-08   6.057e-08    -7.218    -7.218     0.001     (0)  
    [13C]O[18O]     4.553e-08   4.560e-08    -7.342    -7.341     0.001     (0)  
    [13C]O3-2       3.102e-08   2.173e-08    -7.508    -7.663    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.620e-10   3.626e-10    -9.441    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.857e-10   1.301e-10    -9.731    -9.886    -0.155     (0)  
-[14C](-4)     9.456e-32
-   [14C]H4         9.456e-32   9.471e-32   -31.024   -31.024     0.001     (0)  
+[14C](-4)     1.844e-32
+   [14C]H4         1.844e-32   1.847e-32   -31.734   -31.733     0.001     (0)  
 [14C](4)      2.669e-15
    H[14C]O3-       2.156e-15   1.972e-15   -14.666   -14.705    -0.039     (0)  
    [14C]O2         4.486e-16   4.494e-16   -15.348   -15.347     0.001     (0)  
    CaH[14C]O3+     4.553e-17   4.176e-17   -16.342   -16.379    -0.037     (0)  
-   H[14C]O2[18O]-   4.302e-18   3.935e-18   -17.366   -17.405    -0.039     (0)  
-   H[14C]O[18O]O-   4.302e-18   3.935e-18   -17.366   -17.405    -0.039     (0)  
    H[14C][18O]O2-   4.302e-18   3.935e-18   -17.366   -17.405    -0.039     (0)  
+   H[14C]O[18O]O-   4.302e-18   3.935e-18   -17.366   -17.405    -0.039     (0)  
+   H[14C]O2[18O]-   4.302e-18   3.935e-18   -17.366   -17.405    -0.039     (0)  
    Ca[14C]O3       2.496e-18   2.500e-18   -17.603   -17.602     0.001     (0)  
    [14C]O[18O]     1.866e-18   1.869e-18   -17.729   -17.728     0.001     (0)  
    [14C]O3-2       1.280e-18   8.969e-19   -17.893   -18.047    -0.155     (0)  
    CaH[14C]O2[18O]+   9.084e-20   8.333e-20   -19.042   -19.079    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.084e-20   8.333e-20   -19.042   -19.079    -0.037     (0)  
    CaH[14C][18O]O2+   9.084e-20   8.333e-20   -19.042   -19.079    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.084e-20   8.333e-20   -19.042   -19.079    -0.037     (0)  
    Ca[14C]O2[18O]   1.494e-20   1.496e-20   -19.826   -19.825     0.001     (0)  
+   H[14C][18O]O[18O]-   8.583e-21   7.852e-21   -20.066   -20.105    -0.039     (0)  
    H[14C]O[18O]2-   8.583e-21   7.852e-21   -20.066   -20.105    -0.039     (0)  
    H[14C][18O]2O-   8.583e-21   7.852e-21   -20.066   -20.105    -0.039     (0)  
-   H[14C][18O]O[18O]-   8.583e-21   7.852e-21   -20.066   -20.105    -0.039     (0)  
    [14C]O2[18O]-2   7.664e-21   5.369e-21   -20.116   -20.270    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.447   -68.447     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.448   -71.448     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.092   -68.092     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.093   -71.093     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -17.78    -20.64   -2.86  [13C]H4
+  [13C]H4(g)      -18.49    -21.35   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.24    -20.75   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.16    -31.02   -2.86  [14C]H4
+  [14C]H4(g)      -28.87    -31.73   -2.86  [14C]H4
   [14C]O2(g)      -13.88    -15.35   -1.47  [14C]O2
   [14C]O[18O](g)  -16.26    -18.05   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.16    -71.45   -2.29  [18O]2
+  [18O]2(g)       -68.80    -71.09   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -2962,14 +2964,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -15.82    -18.68   -2.86  CH4
+  CH4(g)          -16.53    -19.39   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.02    -13.17   -3.15  H2
+  H2(g)           -10.19    -13.34   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.16    -66.05   -2.89  O2
-  O[18O](g)       -65.86    -68.75   -2.89  O[18O]
+  O2(g)           -62.80    -65.69   -2.89  O2
+  O[18O](g)       -65.50    -68.39   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3078,14 +3080,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7083e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7113e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.5099e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.3434e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3101e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     4.885e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -3103,16 +3105,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.882      Adjusted to redox equilibrium
+                                       pe  =  -1.781      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.828e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  56
+                               Iterations  =  86
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -3124,25 +3126,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.521e-20
-   CH4             3.521e-20   3.527e-20   -19.453   -19.453     0.001     (0)  
+C(-4)         5.433e-21
+   CH4             5.433e-21   5.442e-21   -20.265   -20.264     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -3150,50 +3152,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.051e-08   6.061e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.698e-14
-   H2              4.349e-14   4.356e-14   -13.362   -13.361     0.001     (0)  
+H(0)          5.451e-14
+   H2              2.726e-14   2.730e-14   -13.565   -13.564     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.661   -65.660     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.060   -68.059     0.001     (0)  
-[13C](-4)     3.874e-22
-   [13C]H4         3.874e-22   3.881e-22   -21.412   -21.411     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.255   -65.254     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.654   -67.653     0.001     (0)  
+[13C](-4)     5.977e-23
+   [13C]H4         5.977e-23   5.987e-23   -22.224   -22.223     0.001     (0)  
 [13C](4)      6.471e-05
    H[13C]O3-       5.220e-05   4.776e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.096e-05   1.097e-05    -4.960    -4.960     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.041e-07   9.528e-08    -6.982    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.041e-07   9.528e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.041e-07   9.528e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.041e-07   9.528e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.041e-07   9.528e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.051e-08   6.061e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.556e-08   4.563e-08    -7.341    -7.341     0.001     (0)  
    [13C]O3-2       3.104e-08   2.175e-08    -7.508    -7.663    -0.155     (0)  
+   CaH[13C][18O]O2+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O2[18O]+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
-   CaH[13C][18O]O2+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.622e-10   3.628e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.858e-10   1.302e-10    -9.731    -9.886    -0.155     (0)  
-[14C](-4)     1.461e-32
-   [14C]H4         1.461e-32   1.464e-32   -31.835   -31.835     0.001     (0)  
+[14C](-4)     2.255e-33
+   [14C]H4         2.255e-33   2.258e-33   -32.647   -32.646     0.001     (0)  
 [14C](4)      2.459e-15
    H[14C]O3-       1.986e-15   1.817e-15   -14.702   -14.741    -0.039     (0)  
    [14C]O2         4.133e-16   4.140e-16   -15.384   -15.383     0.001     (0)  
    CaH[14C]O3+     4.194e-17   3.847e-17   -16.377   -16.415    -0.037     (0)  
-   H[14C]O2[18O]-   3.963e-18   3.625e-18   -17.402   -17.441    -0.039     (0)  
-   H[14C]O[18O]O-   3.963e-18   3.625e-18   -17.402   -17.441    -0.039     (0)  
    H[14C][18O]O2-   3.963e-18   3.625e-18   -17.402   -17.441    -0.039     (0)  
+   H[14C]O[18O]O-   3.963e-18   3.625e-18   -17.402   -17.441    -0.039     (0)  
+   H[14C]O2[18O]-   3.963e-18   3.625e-18   -17.402   -17.441    -0.039     (0)  
    Ca[14C]O3       2.299e-18   2.303e-18   -17.638   -17.638     0.001     (0)  
    [14C]O[18O]     1.719e-18   1.721e-18   -17.765   -17.764     0.001     (0)  
    [14C]O3-2       1.179e-18   8.263e-19   -17.928   -18.083    -0.155     (0)  
    CaH[14C]O2[18O]+   8.368e-20   7.676e-20   -19.077   -19.115    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.368e-20   7.676e-20   -19.077   -19.115    -0.037     (0)  
    CaH[14C][18O]O2+   8.368e-20   7.676e-20   -19.077   -19.115    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.368e-20   7.676e-20   -19.077   -19.115    -0.037     (0)  
    Ca[14C]O2[18O]   1.376e-20   1.379e-20   -19.861   -19.861     0.001     (0)  
    H[14C]O[18O]2-   7.907e-21   7.233e-21   -20.102   -20.141    -0.039     (0)  
    H[14C][18O]2O-   7.907e-21   7.233e-21   -20.102   -20.141    -0.039     (0)  
@@ -3202,29 +3204,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.060   -68.059     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.061   -71.060     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.654   -67.653     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.655   -70.654     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.55    -21.41   -2.86  [13C]H4
+  [13C]H4(g)      -19.36    -22.22   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.28    -20.78   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.97    -31.83   -2.86  [14C]H4
+  [14C]H4(g)      -29.79    -32.65   -2.86  [14C]H4
   [14C]O2(g)      -13.91    -15.38   -1.47  [14C]O2
   [14C]O[18O](g)  -16.30    -18.08   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.77    -71.06   -2.29  [18O]2
+  [18O]2(g)       -68.36    -70.65   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -3238,14 +3240,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.59    -19.45   -2.86  CH4
+  CH4(g)          -17.40    -20.26   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.21    -13.36   -3.15  H2
+  H2(g)           -10.41    -13.56   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.77    -65.66   -2.89  O2
-  O[18O](g)       -65.47    -68.36   -2.89  O[18O]
+  O2(g)           -62.36    -65.25   -2.89  O2
+  O[18O](g)       -65.06    -67.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3269,6 +3271,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 18.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -3354,14 +3362,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1             0             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.4409e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5409e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6107e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1     9.992e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     1.843e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -3379,16 +3387,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.901      Adjusted to redox equilibrium
+                                       pe  =  -1.754      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.828e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  77
+                               Iterations  =  99 (200 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -3400,14 +3408,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         5.008e-20
-   CH4             5.008e-20   5.016e-20   -19.300   -19.300     0.001     (0)  
+C(-4)         3.311e-21
+   CH4             3.311e-21   3.316e-21   -20.480   -20.479     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -3416,9 +3424,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -3426,23 +3434,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.055e-08   6.065e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.499e-14
-   H2              4.749e-14   4.757e-14   -13.323   -13.323     0.001     (0)  
+H(0)          4.817e-14
+   H2              2.408e-14   2.412e-14   -13.618   -13.618     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.737   -65.736     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.136   -68.135     0.001     (0)  
-[13C](-4)     5.513e-22
-   [13C]H4         5.513e-22   5.522e-22   -21.259   -21.258     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.147   -65.147     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.546   -67.546     0.001     (0)  
+[13C](-4)     3.644e-23
+   [13C]H4         3.644e-23   3.650e-23   -22.438   -22.438     0.001     (0)  
 [13C](4)      6.475e-05
    H[13C]O3-       5.223e-05   4.778e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.096e-05   1.098e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.042e-07   9.534e-08    -6.982    -7.021    -0.039     (0)  
    H[13C]O[18O]O-   1.042e-07   9.534e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.042e-07   9.534e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.042e-07   9.534e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.055e-08   6.065e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.559e-08   4.566e-08    -7.341    -7.340     0.001     (0)  
@@ -3451,56 +3459,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.201e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.201e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.624e-10   3.630e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.859e-10   1.302e-10    -9.731    -9.885    -0.155     (0)  
-[14C](-4)     1.915e-32
-   [14C]H4         1.915e-32   1.918e-32   -31.718   -31.717     0.001     (0)  
+[14C](-4)     1.266e-33
+   [14C]H4         1.266e-33   1.268e-33   -32.898   -32.897     0.001     (0)  
 [14C](4)      2.265e-15
    H[14C]O3-       1.830e-15   1.674e-15   -14.738   -14.776    -0.039     (0)  
    [14C]O2         3.807e-16   3.814e-16   -15.419   -15.419     0.001     (0)  
    CaH[14C]O3+     3.864e-17   3.544e-17   -16.413   -16.450    -0.037     (0)  
-   H[14C]O2[18O]-   3.651e-18   3.340e-18   -17.438   -17.476    -0.039     (0)  
-   H[14C]O[18O]O-   3.651e-18   3.340e-18   -17.438   -17.476    -0.039     (0)  
    H[14C][18O]O2-   3.651e-18   3.340e-18   -17.438   -17.476    -0.039     (0)  
+   H[14C]O[18O]O-   3.651e-18   3.340e-18   -17.438   -17.476    -0.039     (0)  
+   H[14C]O2[18O]-   3.651e-18   3.340e-18   -17.438   -17.476    -0.039     (0)  
    Ca[14C]O3       2.118e-18   2.122e-18   -17.674   -17.673     0.001     (0)  
    [14C]O[18O]     1.583e-18   1.586e-18   -17.800   -17.800     0.001     (0)  
    [14C]O3-2       1.087e-18   7.612e-19   -17.964   -18.118    -0.155     (0)  
    CaH[14C]O2[18O]+   7.709e-20   7.072e-20   -19.113   -19.150    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.709e-20   7.072e-20   -19.113   -19.150    -0.037     (0)  
    CaH[14C][18O]O2+   7.709e-20   7.072e-20   -19.113   -19.150    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.709e-20   7.072e-20   -19.113   -19.150    -0.037     (0)  
    Ca[14C]O2[18O]   1.268e-20   1.270e-20   -19.897   -19.896     0.001     (0)  
-   H[14C]O[18O]2-   7.284e-21   6.664e-21   -20.138   -20.176    -0.039     (0)  
    H[14C][18O]2O-   7.284e-21   6.664e-21   -20.138   -20.176    -0.039     (0)  
    H[14C][18O]O[18O]-   7.284e-21   6.664e-21   -20.138   -20.176    -0.039     (0)  
+   H[14C]O[18O]2-   7.284e-21   6.664e-21   -20.138   -20.176    -0.039     (0)  
    [14C]O2[18O]-2   6.504e-21   4.556e-21   -20.187   -20.341    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.136   -68.135     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.137   -71.137     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.546   -67.546     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.547   -70.547     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.40    -21.26   -2.86  [13C]H4
+  [13C]H4(g)      -19.58    -22.44   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.32    -20.82   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.86    -31.72   -2.86  [14C]H4
+  [14C]H4(g)      -30.04    -32.90   -2.86  [14C]H4
   [14C]O2(g)      -13.95    -15.42   -1.47  [14C]O2
   [14C]O[18O](g)  -16.33    -18.12   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.85    -71.14   -2.29  [18O]2
+  [18O]2(g)       -68.26    -70.55   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -3514,14 +3522,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.44    -19.30   -2.86  CH4
+  CH4(g)          -17.62    -20.48   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.17    -13.32   -3.15  H2
+  H2(g)           -10.47    -13.62   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.84    -65.74   -2.89  O2
-  O[18O](g)       -65.54    -68.44   -2.89  O[18O]
+  O2(g)           -62.25    -65.15   -2.89  O2
+  O[18O](g)       -64.95    -67.85   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3545,6 +3553,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 19.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -3630,14 +3644,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6324e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7043e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    4.6629e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -3655,16 +3669,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.911      Adjusted to redox equilibrium
+                                       pe  =  -1.824      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.828e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  97
+                               Iterations  =  98 (199 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -3676,25 +3690,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         6.028e-20
-   CH4             6.028e-20   6.038e-20   -19.220   -19.219     0.001     (0)  
+C(-4)         1.204e-20
+   CH4             1.204e-20   1.206e-20   -19.919   -19.919     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -3702,81 +3716,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.058e-08   6.068e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.950e-14
-   H2              4.975e-14   4.983e-14   -13.303   -13.303     0.001     (0)  
+H(0)          6.651e-14
+   H2              3.326e-14   3.331e-14   -13.478   -13.477     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.777   -65.777     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.176   -68.176     0.001     (0)  
-[13C](-4)     6.640e-22
-   [13C]H4         6.640e-22   6.651e-22   -21.178   -21.177     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.428   -65.427     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.827   -67.826     0.001     (0)  
+[13C](-4)     1.326e-22
+   [13C]H4         1.326e-22   1.328e-22   -21.878   -21.877     0.001     (0)  
 [13C](4)      6.479e-05
    H[13C]O3-       5.226e-05   4.781e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.097e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    H[13C]O2[18O]-   1.043e-07   9.539e-08    -6.982    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.043e-07   9.539e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.539e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.043e-07   9.539e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.058e-08   6.068e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.561e-08   4.568e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.108e-08   2.177e-08    -7.508    -7.662    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.626e-10   3.632e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.860e-10   1.303e-10    -9.730    -9.885    -0.155     (0)  
-[14C](-4)     2.123e-32
-   [14C]H4         2.123e-32   2.127e-32   -31.673   -31.672     0.001     (0)  
+[14C](-4)     4.239e-33
+   [14C]H4         4.239e-33   4.246e-33   -32.373   -32.372     0.001     (0)  
 [14C](4)      2.087e-15
    H[14C]O3-       1.686e-15   1.542e-15   -14.773   -14.812    -0.039     (0)  
    [14C]O2         3.507e-16   3.513e-16   -15.455   -15.454     0.001     (0)  
    CaH[14C]O3+     3.559e-17   3.265e-17   -16.449   -16.486    -0.037     (0)  
-   H[14C]O2[18O]-   3.363e-18   3.077e-18   -17.473   -17.512    -0.039     (0)  
-   H[14C]O[18O]O-   3.363e-18   3.077e-18   -17.473   -17.512    -0.039     (0)  
    H[14C][18O]O2-   3.363e-18   3.077e-18   -17.473   -17.512    -0.039     (0)  
+   H[14C]O[18O]O-   3.363e-18   3.077e-18   -17.473   -17.512    -0.039     (0)  
+   H[14C]O2[18O]-   3.363e-18   3.077e-18   -17.473   -17.512    -0.039     (0)  
    Ca[14C]O3       1.951e-18   1.955e-18   -17.710   -17.709     0.001     (0)  
    [14C]O[18O]     1.458e-18   1.461e-18   -17.836   -17.835     0.001     (0)  
    [14C]O3-2       1.001e-18   7.012e-19   -18.000   -18.154    -0.155     (0)  
    CaH[14C]O2[18O]+   7.102e-20   6.515e-20   -19.149   -19.186    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.102e-20   6.515e-20   -19.149   -19.186    -0.037     (0)  
    CaH[14C][18O]O2+   7.102e-20   6.515e-20   -19.149   -19.186    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.102e-20   6.515e-20   -19.149   -19.186    -0.037     (0)  
    Ca[14C]O2[18O]   1.168e-20   1.170e-20   -19.933   -19.932     0.001     (0)  
+   H[14C][18O]O[18O]-   6.710e-21   6.139e-21   -20.173   -20.212    -0.039     (0)  
    H[14C]O[18O]2-   6.710e-21   6.139e-21   -20.173   -20.212    -0.039     (0)  
    H[14C][18O]2O-   6.710e-21   6.139e-21   -20.173   -20.212    -0.039     (0)  
-   H[14C][18O]O[18O]-   6.710e-21   6.139e-21   -20.173   -20.212    -0.039     (0)  
    [14C]O2[18O]-2   5.991e-21   4.197e-21   -20.222   -20.377    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.176   -68.176     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.177   -71.177     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.827   -67.826     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.828   -70.827     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.32    -21.18   -2.86  [13C]H4
+  [13C]H4(g)      -19.02    -21.88   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.35    -20.85   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.81    -31.67   -2.86  [14C]H4
+  [14C]H4(g)      -29.51    -32.37   -2.86  [14C]H4
   [14C]O2(g)      -13.99    -15.45   -1.47  [14C]O2
   [14C]O[18O](g)  -16.37    -18.15   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.89    -71.18   -2.29  [18O]2
+  [18O]2(g)       -68.54    -70.83   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -3790,14 +3804,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.36    -19.22   -2.86  CH4
+  CH4(g)          -17.06    -19.92   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.15    -13.30   -3.15  H2
+  H2(g)           -10.33    -13.48   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.88    -65.78   -2.89  O2
-  O[18O](g)       -65.58    -68.48   -2.89  O[18O]
+  O2(g)           -62.53    -65.43   -2.89  O2
+  O[18O](g)       -65.23    -68.13   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3912,14 +3926,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.9944e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7133e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.65e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.9984e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.8541e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -3.1086e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    6.8834e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -3937,16 +3951,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.943      Adjusted to redox equilibrium
+                                       pe  =  -1.903      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.828e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  93 (194 overall)
+                               Iterations  = 104 (205 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -3958,15 +3972,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.074e-19
-   CH4             1.074e-19   1.076e-19   -18.969   -18.968     0.001     (0)  
+C(-4)         5.185e-20
+   CH4             5.185e-20   5.194e-20   -19.285   -19.285     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -3974,9 +3988,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -3984,50 +3998,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.061e-08   6.071e-08    -7.217    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.149e-13
-   H2              5.747e-14   5.757e-14   -13.241   -13.240     0.001     (0)  
+H(0)          9.582e-14
+   H2              4.791e-14   4.799e-14   -13.320   -13.319     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.903   -65.902     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.302   -68.301     0.001     (0)  
-[13C](-4)     1.183e-21
-   [13C]H4         1.183e-21   1.185e-21   -20.927   -20.926     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.745   -65.744     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.144   -68.143     0.001     (0)  
+[13C](-4)     5.714e-22
+   [13C]H4         5.714e-22   5.723e-22   -21.243   -21.242     0.001     (0)  
 [13C](4)      6.482e-05
    H[13C]O3-       5.228e-05   4.783e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.097e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
    Ca[13C]O3       6.061e-08   6.071e-08    -7.217    -7.217     0.001     (0)  
    [13C]O[18O]     4.563e-08   4.571e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.109e-08   2.178e-08    -7.507    -7.662    -0.155     (0)  
+   CaH[13C][18O]O2+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.628e-10   3.634e-10    -9.440    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.861e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
-[14C](-4)     3.485e-32
-   [14C]H4         3.485e-32   3.490e-32   -31.458   -31.457     0.001     (0)  
+[14C](-4)     1.682e-32
+   [14C]H4         1.682e-32   1.685e-32   -31.774   -31.773     0.001     (0)  
 [14C](4)      1.922e-15
    H[14C]O3-       1.553e-15   1.421e-15   -14.809   -14.848    -0.039     (0)  
    [14C]O2         3.231e-16   3.236e-16   -15.491   -15.490     0.001     (0)  
    CaH[14C]O3+     3.279e-17   3.008e-17   -16.484   -16.522    -0.037     (0)  
-   H[14C]O2[18O]-   3.098e-18   2.834e-18   -17.509   -17.548    -0.039     (0)  
-   H[14C]O[18O]O-   3.098e-18   2.834e-18   -17.509   -17.548    -0.039     (0)  
    H[14C][18O]O2-   3.098e-18   2.834e-18   -17.509   -17.548    -0.039     (0)  
+   H[14C]O[18O]O-   3.098e-18   2.834e-18   -17.509   -17.548    -0.039     (0)  
+   H[14C]O2[18O]-   3.098e-18   2.834e-18   -17.509   -17.548    -0.039     (0)  
    Ca[14C]O3       1.798e-18   1.801e-18   -17.745   -17.745     0.001     (0)  
    [14C]O[18O]     1.344e-18   1.346e-18   -17.872   -17.871     0.001     (0)  
    [14C]O3-2       9.221e-19   6.460e-19   -18.035   -18.190    -0.155     (0)  
    CaH[14C]O2[18O]+   6.542e-20   6.002e-20   -19.184   -19.222    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.542e-20   6.002e-20   -19.184   -19.222    -0.037     (0)  
    CaH[14C][18O]O2+   6.542e-20   6.002e-20   -19.184   -19.222    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.542e-20   6.002e-20   -19.184   -19.222    -0.037     (0)  
    Ca[14C]O2[18O]   1.076e-20   1.078e-20   -19.968   -19.967     0.001     (0)  
    H[14C]O[18O]2-   6.181e-21   5.655e-21   -20.209   -20.248    -0.039     (0)  
    H[14C][18O]2O-   6.181e-21   5.655e-21   -20.209   -20.248    -0.039     (0)  
@@ -4036,29 +4050,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.302   -68.301     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.303   -71.302     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.144   -68.143     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.145   -71.144     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.07    -20.93   -2.86  [13C]H4
+  [13C]H4(g)      -18.38    -21.24   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.39    -20.89   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.60    -31.46   -2.86  [14C]H4
+  [14C]H4(g)      -28.91    -31.77   -2.86  [14C]H4
   [14C]O2(g)      -14.02    -15.49   -1.47  [14C]O2
   [14C]O[18O](g)  -16.40    -18.19   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.01    -71.30   -2.29  [18O]2
+  [18O]2(g)       -68.85    -71.14   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -4072,14 +4086,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.11    -18.97   -2.86  CH4
+  CH4(g)          -16.42    -19.28   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.09    -13.24   -3.15  H2
+  H2(g)           -10.17    -13.32   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.01    -65.90   -2.89  O2
-  O[18O](g)       -65.71    -68.60   -2.89  O[18O]
+  O2(g)           -62.85    -65.74   -2.89  O2
+  O[18O](g)       -65.55    -68.44   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4103,6 +4117,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 21.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -4188,14 +4208,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6426e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.567e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.8874e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    7.7716e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.9984e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -4213,16 +4233,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.923      Adjusted to redox equilibrium
+                                       pe  =  -1.728      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.844e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  44
+                               Iterations  = 132 (233 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -4234,25 +4254,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         7.443e-20
-   CH4             7.443e-20   7.455e-20   -19.128   -19.128     0.001     (0)  
+C(-4)         2.058e-21
+   CH4             2.058e-21   2.062e-21   -20.687   -20.686     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -4260,23 +4280,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.064e-08   6.074e-08    -7.217    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.049e-13
-   H2              5.244e-14   5.253e-14   -13.280   -13.280     0.001     (0)  
+H(0)          4.277e-14
+   H2              2.138e-14   2.142e-14   -13.670   -13.669     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.823   -65.823     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.222   -68.222     0.001     (0)  
-[13C](-4)     8.206e-22
-   [13C]H4         8.206e-22   8.219e-22   -21.086   -21.085     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.044   -65.043     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.443   -67.442     0.001     (0)  
+[13C](-4)     2.269e-23
+   [13C]H4         2.269e-23   2.273e-23   -22.644   -22.643     0.001     (0)  
 [13C](4)      6.485e-05
    H[13C]O3-       5.231e-05   4.786e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.959     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.064e-08   6.074e-08    -7.217    -7.217     0.001     (0)  
    [13C]O[18O]     4.565e-08   4.573e-08    -7.341    -7.340     0.001     (0)  
@@ -4285,56 +4305,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.630e-10   3.636e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.862e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
-[14C](-4)     2.225e-32
-   [14C]H4         2.225e-32   2.228e-32   -31.653   -31.652     0.001     (0)  
+[14C](-4)     6.152e-34
+   [14C]H4         6.152e-34   6.162e-34   -33.211   -33.210     0.001     (0)  
 [14C](4)      1.771e-15
    H[14C]O3-       1.431e-15   1.309e-15   -14.845   -14.883    -0.039     (0)  
    [14C]O2         2.977e-16   2.981e-16   -15.526   -15.526     0.001     (0)  
    CaH[14C]O3+     3.021e-17   2.771e-17   -16.520   -16.557    -0.037     (0)  
-   H[14C]O2[18O]-   2.854e-18   2.611e-18   -17.545   -17.583    -0.039     (0)  
-   H[14C]O[18O]O-   2.854e-18   2.611e-18   -17.545   -17.583    -0.039     (0)  
    H[14C][18O]O2-   2.854e-18   2.611e-18   -17.545   -17.583    -0.039     (0)  
+   H[14C]O[18O]O-   2.854e-18   2.611e-18   -17.545   -17.583    -0.039     (0)  
+   H[14C]O2[18O]-   2.854e-18   2.611e-18   -17.545   -17.583    -0.039     (0)  
    Ca[14C]O3       1.656e-18   1.659e-18   -17.781   -17.780     0.001     (0)  
    [14C]O[18O]     1.238e-18   1.240e-18   -17.907   -17.907     0.001     (0)  
    [14C]O3-2       8.495e-19   5.951e-19   -18.071   -18.225    -0.155     (0)  
    CaH[14C]O2[18O]+   6.027e-20   5.529e-20   -19.220   -19.257    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.027e-20   5.529e-20   -19.220   -19.257    -0.037     (0)  
    CaH[14C][18O]O2+   6.027e-20   5.529e-20   -19.220   -19.257    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.027e-20   5.529e-20   -19.220   -19.257    -0.037     (0)  
    Ca[14C]O2[18O]   9.912e-21   9.928e-21   -20.004   -20.003     0.001     (0)  
-   H[14C]O[18O]2-   5.695e-21   5.210e-21   -20.245   -20.283    -0.039     (0)  
    H[14C][18O]2O-   5.695e-21   5.210e-21   -20.245   -20.283    -0.039     (0)  
    H[14C][18O]O[18O]-   5.695e-21   5.210e-21   -20.245   -20.283    -0.039     (0)  
+   H[14C]O[18O]2-   5.695e-21   5.210e-21   -20.245   -20.283    -0.039     (0)  
    [14C]O2[18O]-2   5.085e-21   3.562e-21   -20.294   -20.448    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.222   -68.222     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.223   -71.223     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.443   -67.442     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.444   -70.443     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.23    -21.09   -2.86  [13C]H4
+  [13C]H4(g)      -19.78    -22.64   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.42    -20.93   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.79    -31.65   -2.86  [14C]H4
+  [14C]H4(g)      -30.35    -33.21   -2.86  [14C]H4
   [14C]O2(g)      -14.06    -15.53   -1.47  [14C]O2
   [14C]O[18O](g)  -16.44    -18.23   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.93    -71.22   -2.29  [18O]2
+  [18O]2(g)       -68.15    -70.44   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -4348,14 +4368,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.27    -19.13   -2.86  CH4
+  CH4(g)          -17.83    -20.69   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.13    -13.28   -3.15  H2
+  H2(g)           -10.52    -13.67   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.93    -65.82   -2.89  O2
-  O[18O](g)       -65.63    -68.52   -2.89  O[18O]
+  O2(g)           -62.15    -65.04   -2.89  O2
+  O[18O](g)       -64.85    -67.74   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4446,6 +4466,7 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99518e-03	        -4.9955  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
+     R(18O) O2(aq)       	 1.99518e-03	        -4.9955  permil    
      R(13C) CO2(aq)      	 1.10294e-02	        -13.486  permil    
      R(14C) CO2(aq)      	 2.75358e-13	         23.417  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
@@ -4455,8 +4476,6 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99518e-03	        -4.9955  permil    
      R(13C) CO3-2        	 1.11094e-02	        -6.3315  permil    
      R(14C) CO3-2        	 2.79366e-13	         23.758  pmc       
-     R(13C) CH4(aq)      	 1.10294e-02	        -13.486  permil    
-     R(14C) CH4(aq)      	 2.75358e-13	         23.417  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.651  permil    
      R(13C) Calcite      	 1.11474e-02	        -2.9325  permil    
      R(14C) Calcite      	 2.81281e-13	         23.921  pmc       
@@ -4469,15 +4488,14 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2684e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6652e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8585e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    4.2188e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -4495,16 +4513,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.837      Adjusted to redox equilibrium
+                                       pe  =  10.737      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.844e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  90 (191 overall)
+                               Iterations  = 134 (235 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -4516,15 +4534,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.531e-20
-   CH4             1.531e-20   1.533e-20   -19.815   -19.814     0.001     (0)  
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -120.404  -120.403     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -4532,9 +4550,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -4542,81 +4560,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.067e-08   6.077e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.063e-14
-   H2              3.531e-14   3.537e-14   -13.452   -13.451     0.001     (0)  
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.480   -65.479     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.879   -67.878     0.001     (0)  
-[13C](-4)     1.688e-22
-   [13C]H4         1.688e-22   1.691e-22   -21.773   -21.772     0.001     (0)  
+H(0)          5.032e-39
+   H2              2.516e-39   2.520e-39   -38.599   -38.599     0.001     (0)  
+O(0)          1.311e-15
+   O2              6.527e-16   6.537e-16   -15.185   -15.185     0.001     (0)  
+   O[18O]          2.604e-18   2.609e-18   -17.584   -17.584     0.001     (0)  
+[13C](-4)     0.000e+00
+   [13C]H4         0.000e+00   0.000e+00  -122.362  -122.361     0.001     (0)  
 [13C](4)      6.488e-05
    H[13C]O3-       5.233e-05   4.788e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.959     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.067e-08   6.077e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.567e-08   4.575e-08    -7.340    -7.340     0.001     (0)  
    [13C]O3-2       3.112e-08   2.180e-08    -7.507    -7.662    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.631e-10   3.637e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.863e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
-[14C](-4)     4.215e-33
-   [14C]H4         4.215e-33   4.222e-33   -32.375   -32.374     0.001     (0)  
+[14C](-4)     0.000e+00
+   [14C]H4         0.000e+00   0.000e+00  -132.964  -132.963     0.001     (0)  
 [14C](4)      1.631e-15
    H[14C]O3-       1.318e-15   1.206e-15   -14.880   -14.919    -0.039     (0)  
    [14C]O2         2.742e-16   2.747e-16   -15.562   -15.561     0.001     (0)  
    CaH[14C]O3+     2.783e-17   2.553e-17   -16.556   -16.593    -0.037     (0)  
-   H[14C]O2[18O]-   2.629e-18   2.405e-18   -17.580   -17.619    -0.039     (0)  
-   H[14C]O[18O]O-   2.629e-18   2.405e-18   -17.580   -17.619    -0.039     (0)  
    H[14C][18O]O2-   2.629e-18   2.405e-18   -17.580   -17.619    -0.039     (0)  
+   H[14C]O[18O]O-   2.629e-18   2.405e-18   -17.580   -17.619    -0.039     (0)  
+   H[14C]O2[18O]-   2.629e-18   2.405e-18   -17.580   -17.619    -0.039     (0)  
    Ca[14C]O3       1.526e-18   1.528e-18   -17.817   -17.816     0.001     (0)  
    [14C]O[18O]     1.140e-18   1.142e-18   -17.943   -17.942     0.001     (0)  
    [14C]O3-2       7.826e-19   5.482e-19   -18.106   -18.261    -0.155     (0)  
    CaH[14C]O2[18O]+   5.552e-20   5.093e-20   -19.256   -19.293    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.552e-20   5.093e-20   -19.256   -19.293    -0.037     (0)  
    CaH[14C][18O]O2+   5.552e-20   5.093e-20   -19.256   -19.293    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.552e-20   5.093e-20   -19.256   -19.293    -0.037     (0)  
    Ca[14C]O2[18O]   9.131e-21   9.146e-21   -20.039   -20.039     0.001     (0)  
+   H[14C][18O]O[18O]-   5.246e-21   4.799e-21   -20.280   -20.319    -0.039     (0)  
    H[14C]O[18O]2-   5.246e-21   4.799e-21   -20.280   -20.319    -0.039     (0)  
    H[14C][18O]2O-   5.246e-21   4.799e-21   -20.280   -20.319    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.246e-21   4.799e-21   -20.280   -20.319    -0.039     (0)  
    [14C]O2[18O]-2   4.684e-21   3.282e-21   -20.329   -20.484    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.879   -67.878     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.880   -70.879     0.001     (0)  
+[18O](0)      2.610e-18
+   O[18O]          2.604e-18   2.609e-18   -17.584   -17.584     0.001     (0)  
+   [18O]2          2.598e-21   2.602e-21   -20.585   -20.585     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.91    -21.77   -2.86  [13C]H4
+  [13C]H4(g)     -119.50   -122.36   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.46    -20.96   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.51    -32.37   -2.86  [14C]H4
+  [14C]H4(g)     -130.10   -132.96   -2.86  [14C]H4
   [14C]O2(g)      -14.09    -15.56   -1.47  [14C]O2
   [14C]O[18O](g)  -16.47    -18.26   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.59    -70.88   -2.29  [18O]2
+  [18O]2(g)       -18.29    -20.58   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -4630,14 +4648,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.95    -19.81   -2.86  CH4
+  CH4(g)         -117.54   -120.40   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.30    -13.45   -3.15  H2
+  H2(g)           -35.45    -38.60   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.59    -65.48   -2.89  O2
-  O[18O](g)       -65.29    -68.18   -2.89  O[18O]
+  O2(g)           -12.29    -15.18   -2.89  O2
+  O[18O](g)       -14.99    -17.88   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4661,6 +4679,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 23.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -4746,14 +4770,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.9936e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6596e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5774e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1102e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -2.7756e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.3767e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -4771,16 +4795,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.891      Adjusted to redox equilibrium
+                                       pe  =  -1.621      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  94
+                               Iterations  =  92 (193 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -4792,25 +4816,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.135e-20
-   CH4             4.135e-20   4.142e-20   -19.384   -19.383     0.001     (0)  
+C(-4)         2.835e-22
+   CH4             2.835e-22   2.840e-22   -21.547   -21.547     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -4818,50 +4842,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.069e-08   6.079e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.055e-14
-   H2              4.527e-14   4.535e-14   -13.344   -13.343     0.001     (0)  
+H(0)          2.606e-14
+   H2              1.303e-14   1.305e-14   -13.885   -13.884     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.696   -65.695     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.095   -68.094     0.001     (0)  
-[13C](-4)     4.563e-22
-   [13C]H4         4.563e-22   4.570e-22   -21.341   -21.340     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.614   -64.613     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.013   -67.012     0.001     (0)  
+[13C](-4)     3.128e-24
+   [13C]H4         3.128e-24   3.133e-24   -23.505   -23.504     0.001     (0)  
 [13C](4)      6.490e-05
    H[13C]O3-       5.235e-05   4.789e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.044e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.044e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.069e-08   6.079e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.569e-08   4.577e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.113e-08   2.181e-08    -7.507    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.633e-10   3.639e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.863e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
-[14C](-4)     1.049e-32
-   [14C]H4         1.049e-32   1.051e-32   -31.979   -31.979     0.001     (0)  
+[14C](-4)     7.191e-35
+   [14C]H4         7.191e-35   7.203e-35   -34.143   -34.142     0.001     (0)  
 [14C](4)      1.503e-15
    H[14C]O3-       1.214e-15   1.111e-15   -14.916   -14.954    -0.039     (0)  
    [14C]O2         2.526e-16   2.530e-16   -15.598   -15.597     0.001     (0)  
    CaH[14C]O3+     2.564e-17   2.352e-17   -16.591   -16.629    -0.037     (0)  
-   H[14C]O2[18O]-   2.422e-18   2.216e-18   -17.616   -17.654    -0.039     (0)  
-   H[14C]O[18O]O-   2.422e-18   2.216e-18   -17.616   -17.654    -0.039     (0)  
    H[14C][18O]O2-   2.422e-18   2.216e-18   -17.616   -17.654    -0.039     (0)  
+   H[14C]O[18O]O-   2.422e-18   2.216e-18   -17.616   -17.654    -0.039     (0)  
+   H[14C]O2[18O]-   2.422e-18   2.216e-18   -17.616   -17.654    -0.039     (0)  
    Ca[14C]O3       1.405e-18   1.408e-18   -17.852   -17.851     0.001     (0)  
    [14C]O[18O]     1.050e-18   1.052e-18   -17.979   -17.978     0.001     (0)  
    [14C]O3-2       7.209e-19   5.051e-19   -18.142   -18.297    -0.155     (0)  
    CaH[14C]O2[18O]+   5.115e-20   4.692e-20   -19.291   -19.329    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.115e-20   4.692e-20   -19.291   -19.329    -0.037     (0)  
    CaH[14C][18O]O2+   5.115e-20   4.692e-20   -19.291   -19.329    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.115e-20   4.692e-20   -19.291   -19.329    -0.037     (0)  
    Ca[14C]O2[18O]   8.412e-21   8.426e-21   -20.075   -20.074     0.001     (0)  
    H[14C]O[18O]2-   4.833e-21   4.421e-21   -20.316   -20.354    -0.039     (0)  
    H[14C][18O]2O-   4.833e-21   4.421e-21   -20.316   -20.354    -0.039     (0)  
@@ -4870,29 +4894,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.095   -68.094     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.096   -71.095     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.013   -67.012     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.014   -70.013     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.48    -21.34   -2.86  [13C]H4
+  [13C]H4(g)      -20.64    -23.50   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.49    -21.00   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.12    -31.98   -2.86  [14C]H4
+  [14C]H4(g)      -31.28    -34.14   -2.86  [14C]H4
   [14C]O2(g)      -14.13    -15.60   -1.47  [14C]O2
   [14C]O[18O](g)  -16.51    -18.30   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.80    -71.09   -2.29  [18O]2
+  [18O]2(g)       -67.72    -70.01   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -4906,14 +4930,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.52    -19.38   -2.86  CH4
+  CH4(g)          -18.69    -21.55   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.19    -13.34   -3.15  H2
+  H2(g)           -10.73    -13.88   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.80    -65.69   -2.89  O2
-  O[18O](g)       -65.50    -68.39   -2.89  O[18O]
+  O2(g)           -61.72    -64.61   -2.89  O2
+  O[18O](g)       -64.42    -67.31   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4937,12 +4961,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 24.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -5028,14 +5046,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7513e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.535e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1             0             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -5053,16 +5071,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.767      Adjusted to redox equilibrium
+                                       pe  =  -1.735      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  98 (199 overall)
+                               Iterations  =  77
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -5074,14 +5092,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.221e-21
-   CH4             4.221e-21   4.228e-21   -20.375   -20.374     0.001     (0)  
+C(-4)         2.331e-21
+   CH4             2.331e-21   2.334e-21   -20.633   -20.632     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -5090,9 +5108,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -5100,23 +5118,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.071e-08   6.081e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.118e-14
-   H2              2.559e-14   2.563e-14   -13.592   -13.591     0.001     (0)  
+H(0)          4.412e-14
+   H2              2.206e-14   2.210e-14   -13.656   -13.656     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.200   -65.199     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.599   -67.598     0.001     (0)  
-[13C](-4)     4.659e-23
-   [13C]H4         4.659e-23   4.667e-23   -22.332   -22.331     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.071   -65.070     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.470   -67.469     0.001     (0)  
+[13C](-4)     2.572e-23
+   [13C]H4         2.572e-23   2.577e-23   -22.590   -22.589     0.001     (0)  
 [13C](4)      6.493e-05
    H[13C]O3-       5.237e-05   4.791e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.071e-08   6.081e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.571e-08   4.578e-08    -7.340    -7.339     0.001     (0)  
@@ -5125,56 +5143,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.634e-10   3.640e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.306e-10    -9.730    -9.884    -0.155     (0)  
-[14C](-4)     9.864e-34
-   [14C]H4         9.864e-34   9.880e-34   -33.006   -33.005     0.001     (0)  
+[14C](-4)     5.446e-34
+   [14C]H4         5.446e-34   5.455e-34   -33.264   -33.263     0.001     (0)  
 [14C](4)      1.385e-15
    H[14C]O3-       1.118e-15   1.023e-15   -14.951   -14.990    -0.039     (0)  
    [14C]O2         2.327e-16   2.331e-16   -15.633   -15.632     0.001     (0)  
    CaH[14C]O3+     2.362e-17   2.166e-17   -16.627   -16.664    -0.037     (0)  
-   H[14C]O2[18O]-   2.231e-18   2.041e-18   -17.651   -17.690    -0.039     (0)  
-   H[14C]O[18O]O-   2.231e-18   2.041e-18   -17.651   -17.690    -0.039     (0)  
    H[14C][18O]O2-   2.231e-18   2.041e-18   -17.651   -17.690    -0.039     (0)  
+   H[14C]O[18O]O-   2.231e-18   2.041e-18   -17.651   -17.690    -0.039     (0)  
+   H[14C]O2[18O]-   2.231e-18   2.041e-18   -17.651   -17.690    -0.039     (0)  
    Ca[14C]O3       1.295e-18   1.297e-18   -17.888   -17.887     0.001     (0)  
    [14C]O[18O]     9.677e-19   9.693e-19   -18.014   -18.014     0.001     (0)  
    [14C]O3-2       6.641e-19   4.653e-19   -18.178   -18.332    -0.155     (0)  
    CaH[14C]O2[18O]+   4.712e-20   4.322e-20   -19.327   -19.364    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.712e-20   4.322e-20   -19.327   -19.364    -0.037     (0)  
    CaH[14C][18O]O2+   4.712e-20   4.322e-20   -19.327   -19.364    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.712e-20   4.322e-20   -19.327   -19.364    -0.037     (0)  
    Ca[14C]O2[18O]   7.749e-21   7.762e-21   -20.111   -20.110     0.001     (0)  
-   H[14C]O[18O]2-   4.452e-21   4.073e-21   -20.351   -20.390    -0.039     (0)  
    H[14C][18O]2O-   4.452e-21   4.073e-21   -20.351   -20.390    -0.039     (0)  
    H[14C][18O]O[18O]-   4.452e-21   4.073e-21   -20.351   -20.390    -0.039     (0)  
+   H[14C]O[18O]2-   4.452e-21   4.073e-21   -20.351   -20.390    -0.039     (0)  
    [14C]O2[18O]-2   3.975e-21   2.785e-21   -20.401   -20.555    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.599   -67.598     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.600   -70.599     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.470   -67.469     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.471   -70.470     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.47    -22.33   -2.86  [13C]H4
+  [13C]H4(g)      -19.73    -22.59   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.53    -21.03   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.15    -33.01   -2.86  [14C]H4
+  [14C]H4(g)      -30.40    -33.26   -2.86  [14C]H4
   [14C]O2(g)      -14.16    -15.63   -1.47  [14C]O2
   [14C]O[18O](g)  -16.55    -18.33   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.31    -70.60   -2.29  [18O]2
+  [18O]2(g)       -68.18    -70.47   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -5188,14 +5206,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.51    -20.37   -2.86  CH4
+  CH4(g)          -17.77    -20.63   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.44    -13.59   -3.15  H2
+  H2(g)           -10.51    -13.66   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.31    -65.20   -2.89  O2
-  O[18O](g)       -65.01    -67.90   -2.89  O[18O]
+  O2(g)           -62.18    -65.07   -2.89  O2
+  O[18O](g)       -64.88    -67.77   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5280,6 +5298,7 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99518e-03	        -4.9951  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
+     R(18O) O2(aq)       	 1.99518e-03	        -4.9951  permil    
      R(13C) CO2(aq)      	 1.10415e-02	        -12.409  permil    
      R(14C) CO2(aq)      	 2.15280e-13	         18.308  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
@@ -5289,8 +5308,6 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99518e-03	        -4.9951  permil    
      R(13C) CO3-2        	 1.11215e-02	        -5.2466  permil    
      R(14C) CO3-2        	 2.18414e-13	         18.574  pmc       
-     R(13C) CH4(aq)      	 1.10415e-02	        -12.409  permil    
-     R(14C) CH4(aq)      	 2.15280e-13	         18.308  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.651  permil    
      R(13C) Calcite      	 1.11596e-02	        -1.8439  permil    
      R(14C) Calcite      	 2.19911e-13	         18.702  pmc       
@@ -5303,15 +5320,14 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2516e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6316e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.69e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    6.2172e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -5329,16 +5345,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.633      Adjusted to redox equilibrium
+                                       pe  =  10.863      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.844e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  77
+                               Iterations  =  95
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -5350,25 +5366,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.551e-22
-   CH4             3.551e-22   3.556e-22   -21.450   -21.449     0.001     (0)  
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -121.419  -121.419     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -5376,81 +5392,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.073e-08   6.083e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          2.756e-14
-   H2              1.378e-14   1.380e-14   -13.861   -13.860     0.001     (0)  
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.663   -64.662     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.062   -67.061     0.001     (0)  
-[13C](-4)     3.920e-24
-   [13C]H4         3.920e-24   3.927e-24   -23.407   -23.406     0.001     (0)  
+H(0)          2.805e-39
+   H2              1.402e-39   1.405e-39   -38.853   -38.852     0.001     (0)  
+O(0)          4.218e-15
+   O2              2.101e-15   2.104e-15   -14.678   -14.677     0.001     (0)  
+   O[18O]          8.383e-18   8.397e-18   -17.077   -17.076     0.001     (0)  
+[13C](-4)     0.000e+00
+   [13C]H4         0.000e+00   0.000e+00  -123.376  -123.376     0.001     (0)  
 [13C](4)      6.495e-05
    H[13C]O3-       5.239e-05   4.793e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.073e-08   6.083e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.572e-08   4.580e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.115e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.635e-10   3.641e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.306e-10    -9.729    -9.884    -0.155     (0)  
-[14C](-4)     7.644e-35
-   [14C]H4         7.644e-35   7.656e-35   -34.117   -34.116     0.001     (0)  
+[14C](-4)     0.000e+00
+   [14C]H4         0.000e+00   0.000e+00  -134.086  -134.086     0.001     (0)  
 [14C](4)      1.275e-15
    H[14C]O3-       1.030e-15   9.426e-16   -14.987   -15.026    -0.039     (0)  
    [14C]O2         2.144e-16   2.147e-16   -15.669   -15.668     0.001     (0)  
    CaH[14C]O3+     2.176e-17   1.996e-17   -16.662   -16.700    -0.037     (0)  
-   H[14C]O2[18O]-   2.056e-18   1.881e-18   -17.687   -17.726    -0.039     (0)  
-   H[14C]O[18O]O-   2.056e-18   1.881e-18   -17.687   -17.726    -0.039     (0)  
    H[14C][18O]O2-   2.056e-18   1.881e-18   -17.687   -17.726    -0.039     (0)  
+   H[14C]O[18O]O-   2.056e-18   1.881e-18   -17.687   -17.726    -0.039     (0)  
+   H[14C]O2[18O]-   2.056e-18   1.881e-18   -17.687   -17.726    -0.039     (0)  
    Ca[14C]O3       1.193e-18   1.195e-18   -17.923   -17.923     0.001     (0)  
    [14C]O[18O]     8.915e-19   8.929e-19   -18.050   -18.049     0.001     (0)  
    [14C]O3-2       6.118e-19   4.286e-19   -18.213   -18.368    -0.155     (0)  
    CaH[14C]O2[18O]+   4.341e-20   3.982e-20   -19.362   -19.400    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.341e-20   3.982e-20   -19.362   -19.400    -0.037     (0)  
    CaH[14C][18O]O2+   4.341e-20   3.982e-20   -19.362   -19.400    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.341e-20   3.982e-20   -19.362   -19.400    -0.037     (0)  
    Ca[14C]O2[18O]   7.139e-21   7.151e-21   -20.146   -20.146     0.001     (0)  
+   H[14C][18O]O[18O]-   4.101e-21   3.752e-21   -20.387   -20.426    -0.039     (0)  
    H[14C]O[18O]2-   4.101e-21   3.752e-21   -20.387   -20.426    -0.039     (0)  
    H[14C][18O]2O-   4.101e-21   3.752e-21   -20.387   -20.426    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.101e-21   3.752e-21   -20.387   -20.426    -0.039     (0)  
    [14C]O2[18O]-2   3.662e-21   2.566e-21   -20.436   -20.591    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.062   -67.061     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.063   -70.062     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      8.400e-18
+   O[18O]          8.383e-18   8.397e-18   -17.077   -17.076     0.001     (0)  
+   [18O]2          8.363e-21   8.377e-21   -20.078   -20.077     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -20.55    -23.41   -2.86  [13C]H4
+  [13C]H4(g)     -120.52   -123.38   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.56    -21.07   -1.50  [14C][18O]2
-  [14C]H4(g)      -31.26    -34.12   -2.86  [14C]H4
+  [14C]H4(g)     -131.23   -134.09   -2.86  [14C]H4
   [14C]O2(g)      -14.20    -15.67   -1.47  [14C]O2
   [14C]O[18O](g)  -16.58    -18.37   -1.79  [14C]O[18O]
-  [18O]2(g)       -67.77    -70.06   -2.29  [18O]2
+  [18O]2(g)       -17.79    -20.08   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -5464,14 +5480,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -18.59    -21.45   -2.86  CH4
+  CH4(g)         -118.56   -121.42   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.71    -13.86   -3.15  H2
+  H2(g)           -35.70    -38.85   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -61.77    -64.66   -2.89  O2
-  O[18O](g)       -64.47    -67.36   -2.89  O[18O]
+  O2(g)           -11.78    -14.68   -2.89  O2
+  O[18O](g)       -14.48    -17.38   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5495,6 +5511,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 26.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -5578,12 +5600,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2489e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2614e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.1102e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7759e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.9051e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -5603,16 +5625,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.895      Adjusted to redox equilibrium
+                                       pe  =  10.954      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  59
+                               Iterations  =  92 (193 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -5625,14 +5647,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -121.670  -121.669     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.147  -122.147     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -5640,9 +5662,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -5650,50 +5672,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          2.428e-39
-   H2              1.214e-39   1.216e-39   -38.916   -38.915     0.001     (0)  
-O(0)          5.627e-15
-   O2              2.803e-15   2.807e-15   -14.552   -14.552     0.001     (0)  
-   O[18O]          1.118e-17   1.120e-17   -16.951   -16.951     0.001     (0)  
+H(0)          1.845e-39
+   H2              9.224e-40   9.239e-40   -39.035   -39.034     0.001     (0)  
+O(0)          9.751e-15
+   O2              4.856e-15   4.864e-15   -14.314   -14.313     0.001     (0)  
+   O[18O]          1.938e-17   1.941e-17   -16.713   -16.712     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -123.627  -123.626     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.104  -124.103     0.001     (0)  
 [13C](4)      6.497e-05
    H[13C]O3-       5.240e-05   4.794e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.574e-08   4.581e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.116e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.636e-10   3.642e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.372  -134.372     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.850  -134.849     0.001     (0)  
 [14C](4)      1.175e-15
    H[14C]O3-       9.491e-16   8.683e-16   -15.023   -15.061    -0.039     (0)  
    [14C]O2         1.975e-16   1.978e-16   -15.704   -15.704     0.001     (0)  
    CaH[14C]O3+     2.004e-17   1.839e-17   -16.698   -16.736    -0.037     (0)  
-   H[14C]O2[18O]-   1.894e-18   1.732e-18   -17.723   -17.761    -0.039     (0)  
-   H[14C]O[18O]O-   1.894e-18   1.732e-18   -17.723   -17.761    -0.039     (0)  
    H[14C][18O]O2-   1.894e-18   1.732e-18   -17.723   -17.761    -0.039     (0)  
+   H[14C]O[18O]O-   1.894e-18   1.732e-18   -17.723   -17.761    -0.039     (0)  
+   H[14C]O2[18O]-   1.894e-18   1.732e-18   -17.723   -17.761    -0.039     (0)  
    Ca[14C]O3       1.099e-18   1.101e-18   -17.959   -17.958     0.001     (0)  
    [14C]O[18O]     8.212e-19   8.226e-19   -18.086   -18.085     0.001     (0)  
    [14C]O3-2       5.636e-19   3.949e-19   -18.249   -18.404    -0.155     (0)  
    CaH[14C]O2[18O]+   3.999e-20   3.668e-20   -19.398   -19.436    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.999e-20   3.668e-20   -19.398   -19.436    -0.037     (0)  
    CaH[14C][18O]O2+   3.999e-20   3.668e-20   -19.398   -19.436    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.999e-20   3.668e-20   -19.398   -19.436    -0.037     (0)  
    Ca[14C]O2[18O]   6.577e-21   6.587e-21   -20.182   -20.181     0.001     (0)  
    H[14C]O[18O]2-   3.778e-21   3.457e-21   -20.423   -20.461    -0.039     (0)  
    H[14C][18O]2O-   3.778e-21   3.457e-21   -20.423   -20.461    -0.039     (0)  
@@ -5702,29 +5724,29 @@ O(0)          5.627e-15
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.121e-17
-   O[18O]          1.118e-17   1.120e-17   -16.951   -16.951     0.001     (0)  
-   [18O]2          1.116e-20   1.117e-20   -19.952   -19.952     0.001     (0)  
+[18O](0)      1.942e-17
+   O[18O]          1.938e-17   1.941e-17   -16.713   -16.712     0.001     (0)  
+   [18O]2          1.933e-20   1.936e-20   -19.714   -19.713     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -120.77   -123.63   -2.86  [13C]H4
+  [13C]H4(g)     -121.24   -124.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.60    -21.10   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.51   -134.37   -2.86  [14C]H4
+  [14C]H4(g)     -131.99   -134.85   -2.86  [14C]H4
   [14C]O2(g)      -14.24    -15.70   -1.47  [14C]O2
   [14C]O[18O](g)  -16.62    -18.40   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.66    -19.95   -2.29  [18O]2
+  [18O]2(g)       -17.42    -19.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -5738,14 +5760,14 @@ O(0)          5.627e-15
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -118.81   -121.67   -2.86  CH4
+  CH4(g)         -119.29   -122.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.77    -38.92   -3.15  H2
+  H2(g)           -35.88    -39.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.66    -14.55   -2.89  O2
-  O[18O](g)       -14.36    -17.25   -2.89  O[18O]
+  O2(g)           -11.42    -14.31   -2.89  O2
+  O[18O](g)       -14.12    -17.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5852,12 +5874,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2571e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1     -2.27e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7135e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7033e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -5877,16 +5899,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.019      Adjusted to redox equilibrium
+                                       pe  =  10.999      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  87
+                               Iterations  =  95
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -5899,24 +5921,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.665  -122.664     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.504  -122.503     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -5924,23 +5946,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.370e-39
-   H2              6.848e-40   6.859e-40   -39.164   -39.164     0.001     (0)  
-O(0)          1.769e-14
-   O2              8.810e-15   8.824e-15   -14.055   -14.054     0.001     (0)  
-   O[18O]          3.515e-17   3.521e-17   -16.454   -16.453     0.001     (0)  
+H(0)          1.503e-39
+   H2              7.513e-40   7.525e-40   -39.124   -39.123     0.001     (0)  
+O(0)          1.470e-14
+   O2              7.320e-15   7.332e-15   -14.136   -14.135     0.001     (0)  
+   O[18O]          2.921e-17   2.926e-17   -16.534   -16.534     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.621  -124.621     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.460  -124.460     0.001     (0)  
 [13C](4)      6.499e-05
    H[13C]O3-       5.242e-05   4.796e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.575e-08   4.582e-08    -7.340    -7.339     0.001     (0)  
@@ -5949,56 +5971,56 @@ O(0)          1.769e-14
    CaH[13C]O[18O]O+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.637e-10   3.643e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -135.403  -135.402     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -135.242  -135.241     0.001     (0)  
 [14C](4)      1.082e-15
    H[14C]O3-       8.744e-16   7.999e-16   -15.058   -15.097    -0.039     (0)  
    [14C]O2         1.819e-16   1.822e-16   -15.740   -15.739     0.001     (0)  
    CaH[14C]O3+     1.846e-17   1.694e-17   -16.734   -16.771    -0.037     (0)  
-   H[14C]O2[18O]-   1.745e-18   1.596e-18   -17.758   -17.797    -0.039     (0)  
-   H[14C]O[18O]O-   1.745e-18   1.596e-18   -17.758   -17.797    -0.039     (0)  
    H[14C][18O]O2-   1.745e-18   1.596e-18   -17.758   -17.797    -0.039     (0)  
+   H[14C]O[18O]O-   1.745e-18   1.596e-18   -17.758   -17.797    -0.039     (0)  
+   H[14C]O2[18O]-   1.745e-18   1.596e-18   -17.758   -17.797    -0.039     (0)  
    Ca[14C]O3       1.012e-18   1.014e-18   -17.995   -17.994     0.001     (0)  
    [14C]O[18O]     7.565e-19   7.578e-19   -18.121   -18.120     0.001     (0)  
    [14C]O3-2       5.192e-19   3.638e-19   -18.285   -18.439    -0.155     (0)  
    CaH[14C]O2[18O]+   3.684e-20   3.379e-20   -19.434   -19.471    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.684e-20   3.379e-20   -19.434   -19.471    -0.037     (0)  
    CaH[14C][18O]O2+   3.684e-20   3.379e-20   -19.434   -19.471    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.684e-20   3.379e-20   -19.434   -19.471    -0.037     (0)  
    Ca[14C]O2[18O]   6.059e-21   6.068e-21   -20.218   -20.217     0.001     (0)  
-   H[14C]O[18O]2-   3.481e-21   3.184e-21   -20.458   -20.497    -0.039     (0)  
    H[14C][18O]2O-   3.481e-21   3.184e-21   -20.458   -20.497    -0.039     (0)  
    H[14C][18O]O[18O]-   3.481e-21   3.184e-21   -20.458   -20.497    -0.039     (0)  
+   H[14C]O[18O]2-   3.481e-21   3.184e-21   -20.458   -20.497    -0.039     (0)  
    [14C]O2[18O]-2   3.108e-21   2.177e-21   -20.508   -20.662    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.522e-17
-   O[18O]          3.515e-17   3.521e-17   -16.454   -16.453     0.001     (0)  
-   [18O]2          3.507e-20   3.513e-20   -19.455   -19.454     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.927e-17
+   O[18O]          2.921e-17   2.926e-17   -16.534   -16.534     0.001     (0)  
+   [18O]2          2.914e-20   2.919e-20   -19.536   -19.535     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.76   -124.62   -2.86  [13C]H4
+  [13C]H4(g)     -121.60   -124.46   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.64    -21.14   -1.50  [14C][18O]2
-  [14C]H4(g)     -132.54   -135.40   -2.86  [14C]H4
+  [14C]H4(g)     -132.38   -135.24   -2.86  [14C]H4
   [14C]O2(g)      -14.27    -15.74   -1.47  [14C]O2
   [14C]O[18O](g)  -16.65    -18.44   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.16    -19.45   -2.29  [18O]2
+  [18O]2(g)       -17.24    -19.53   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -6012,14 +6034,14 @@ O(0)          1.769e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.80   -122.66   -2.86  CH4
+  CH4(g)         -119.64   -122.50   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.01    -39.16   -3.15  H2
+  H2(g)           -35.97    -39.12   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.16    -14.05   -2.89  O2
-  O[18O](g)       -13.86    -16.75   -2.89  O[18O]
+  O2(g)           -11.24    -14.13   -2.89  O2
+  O[18O](g)       -13.94    -16.83   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6043,6 +6065,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 28.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -6126,12 +6154,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2639e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2777e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.4385e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1     -1.72e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7817e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -6151,16 +6179,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.020      Adjusted to redox equilibrium
+                                       pe  =  11.044      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.844e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  73
+                               Iterations  =  78 (179 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -6173,14 +6201,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.673  -122.673     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.860  -122.859     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -6188,9 +6216,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -6198,81 +6226,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.363e-39
-   H2              6.814e-40   6.825e-40   -39.167   -39.166     0.001     (0)  
-O(0)          1.787e-14
-   O2              8.897e-15   8.912e-15   -14.051   -14.050     0.001     (0)  
-   O[18O]          3.550e-17   3.556e-17   -16.450   -16.449     0.001     (0)  
+H(0)          1.224e-39
+   H2              6.120e-40   6.130e-40   -39.213   -39.213     0.001     (0)  
+O(0)          2.215e-14
+   O2              1.103e-14   1.105e-14   -13.957   -13.957     0.001     (0)  
+   O[18O]          4.402e-17   4.409e-17   -16.356   -16.356     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.630  -124.629     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.817  -124.816     0.001     (0)  
 [13C](4)      6.500e-05
    H[13C]O3-       5.243e-05   4.797e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.576e-08   4.584e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.118e-08   2.184e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -135.447  -135.446     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -135.634  -135.633     0.001     (0)  
 [14C](4)      9.972e-16
    H[14C]O3-       8.055e-16   7.369e-16   -15.094   -15.133    -0.039     (0)  
    [14C]O2         1.676e-16   1.679e-16   -15.776   -15.775     0.001     (0)  
    CaH[14C]O3+     1.701e-17   1.560e-17   -16.769   -16.807    -0.037     (0)  
-   H[14C]O2[18O]-   1.607e-18   1.470e-18   -17.794   -17.833    -0.039     (0)  
-   H[14C]O[18O]O-   1.607e-18   1.470e-18   -17.794   -17.833    -0.039     (0)  
    H[14C][18O]O2-   1.607e-18   1.470e-18   -17.794   -17.833    -0.039     (0)  
+   H[14C]O[18O]O-   1.607e-18   1.470e-18   -17.794   -17.833    -0.039     (0)  
+   H[14C]O2[18O]-   1.607e-18   1.470e-18   -17.794   -17.833    -0.039     (0)  
    Ca[14C]O3       9.325e-19   9.340e-19   -18.030   -18.030     0.001     (0)  
    [14C]O[18O]     6.970e-19   6.981e-19   -18.157   -18.156     0.001     (0)  
    [14C]O3-2       4.783e-19   3.351e-19   -18.320   -18.475    -0.155     (0)  
    CaH[14C]O2[18O]+   3.394e-20   3.113e-20   -19.469   -19.507    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.394e-20   3.113e-20   -19.469   -19.507    -0.037     (0)  
    CaH[14C][18O]O2+   3.394e-20   3.113e-20   -19.469   -19.507    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.394e-20   3.113e-20   -19.469   -19.507    -0.037     (0)  
    Ca[14C]O2[18O]   5.581e-21   5.590e-21   -20.253   -20.253     0.001     (0)  
+   H[14C][18O]O[18O]-   3.206e-21   2.934e-21   -20.494   -20.533    -0.039     (0)  
    H[14C]O[18O]2-   3.206e-21   2.934e-21   -20.494   -20.533    -0.039     (0)  
    H[14C][18O]2O-   3.206e-21   2.934e-21   -20.494   -20.533    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.206e-21   2.934e-21   -20.494   -20.533    -0.039     (0)  
    [14C]O2[18O]-2   2.863e-21   2.006e-21   -20.543   -20.698    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.557e-17
-   O[18O]          3.550e-17   3.556e-17   -16.450   -16.449     0.001     (0)  
-   [18O]2          3.542e-20   3.548e-20   -19.451   -19.450     0.001     (0)  
+[18O](0)      4.411e-17
+   O[18O]          4.402e-17   4.409e-17   -16.356   -16.356     0.001     (0)  
+   [18O]2          4.391e-20   4.399e-20   -19.357   -19.357     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.77   -124.63   -2.86  [13C]H4
+  [13C]H4(g)     -121.96   -124.82   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.67    -21.18   -1.50  [14C][18O]2
-  [14C]H4(g)     -132.59   -135.45   -2.86  [14C]H4
+  [14C]H4(g)     -132.77   -135.63   -2.86  [14C]H4
   [14C]O2(g)      -14.31    -15.77   -1.47  [14C]O2
   [14C]O[18O](g)  -16.69    -18.48   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.16    -19.45   -2.29  [18O]2
+  [18O]2(g)       -17.07    -19.36   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -6286,14 +6314,14 @@ O(0)          1.787e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.81   -122.67   -2.86  CH4
+  CH4(g)         -120.00   -122.86   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.02    -39.17   -3.15  H2
+  H2(g)           -36.06    -39.21   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.16    -14.05   -2.89  O2
-  O[18O](g)       -13.86    -16.75   -2.89  O[18O]
+  O2(g)           -11.06    -13.96   -2.89  O2
+  O[18O](g)       -13.76    -16.66   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6317,12 +6345,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 29.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -6406,12 +6428,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2684e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2504e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.663e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5867e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -6431,16 +6453,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.972      Adjusted to redox equilibrium
+                                       pe  =  10.751      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 112 (213 overall)
+                               Iterations  =  70
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -6453,24 +6475,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.285  -122.284     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -120.523  -120.522     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -6478,50 +6500,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.704e-39
-   H2              8.522e-40   8.536e-40   -39.069   -39.069     0.001     (0)  
-O(0)          1.142e-14
-   O2              5.689e-15   5.698e-15   -14.245   -14.244     0.001     (0)  
-   O[18O]          2.270e-17   2.274e-17   -16.644   -16.643     0.001     (0)  
+H(0)          4.699e-39
+   H2              2.349e-39   2.353e-39   -38.629   -38.628     0.001     (0)  
+O(0)          1.503e-15
+   O2              7.485e-16   7.497e-16   -15.126   -15.125     0.001     (0)  
+   O[18O]          2.987e-18   2.992e-18   -17.525   -17.524     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.241  -124.241     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -122.480  -122.479     0.001     (0)  
 [13C](4)      6.502e-05
    H[13C]O3-       5.244e-05   4.798e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.577e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.119e-08   2.185e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -135.094  -135.094     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -133.333  -133.332     0.001     (0)  
 [14C](4)      9.186e-16
    H[14C]O3-       7.420e-16   6.789e-16   -15.130   -15.168    -0.039     (0)  
    [14C]O2         1.544e-16   1.547e-16   -15.811   -15.811     0.001     (0)  
    CaH[14C]O3+     1.567e-17   1.437e-17   -16.805   -16.842    -0.037     (0)  
-   H[14C]O2[18O]-   1.481e-18   1.354e-18   -17.830   -17.868    -0.039     (0)  
-   H[14C]O[18O]O-   1.481e-18   1.354e-18   -17.830   -17.868    -0.039     (0)  
    H[14C][18O]O2-   1.481e-18   1.354e-18   -17.830   -17.868    -0.039     (0)  
+   H[14C]O[18O]O-   1.481e-18   1.354e-18   -17.830   -17.868    -0.039     (0)  
+   H[14C]O2[18O]-   1.481e-18   1.354e-18   -17.830   -17.868    -0.039     (0)  
    Ca[14C]O3       8.590e-19   8.604e-19   -18.066   -18.065     0.001     (0)  
    [14C]O[18O]     6.421e-19   6.431e-19   -18.192   -18.192     0.001     (0)  
    [14C]O3-2       4.407e-19   3.087e-19   -18.356   -18.510    -0.155     (0)  
    CaH[14C]O2[18O]+   3.126e-20   2.868e-20   -19.505   -19.542    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.126e-20   2.868e-20   -19.505   -19.542    -0.037     (0)  
    CaH[14C][18O]O2+   3.126e-20   2.868e-20   -19.505   -19.542    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.126e-20   2.868e-20   -19.505   -19.542    -0.037     (0)  
    Ca[14C]O2[18O]   5.142e-21   5.150e-21   -20.289   -20.288     0.001     (0)  
    H[14C]O[18O]2-   2.954e-21   2.702e-21   -20.530   -20.568    -0.039     (0)  
    H[14C][18O]2O-   2.954e-21   2.702e-21   -20.530   -20.568    -0.039     (0)  
@@ -6530,29 +6552,29 @@ O(0)          1.142e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.274e-17
-   O[18O]          2.270e-17   2.274e-17   -16.644   -16.643     0.001     (0)  
-   [18O]2          2.264e-20   2.268e-20   -19.645   -19.644     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.993e-18
+   O[18O]          2.987e-18   2.992e-18   -17.525   -17.524     0.001     (0)  
+   [18O]2          2.980e-21   2.984e-21   -20.526   -20.525     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.38   -124.24   -2.86  [13C]H4
+  [13C]H4(g)     -119.62   -122.48   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.71    -21.21   -1.50  [14C][18O]2
-  [14C]H4(g)     -132.23   -135.09   -2.86  [14C]H4
+  [14C]H4(g)     -130.47   -133.33   -2.86  [14C]H4
   [14C]O2(g)      -14.34    -15.81   -1.47  [14C]O2
   [14C]O[18O](g)  -16.72    -18.51   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.35    -19.64   -2.29  [18O]2
+  [18O]2(g)       -18.23    -20.53   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -6566,14 +6588,14 @@ O(0)          1.142e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.42   -122.28   -2.86  CH4
+  CH4(g)         -117.66   -120.52   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.92    -39.07   -3.15  H2
+  H2(g)           -35.48    -38.63   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.35    -14.24   -2.89  O2
-  O[18O](g)       -14.05    -16.94   -2.89  O[18O]
+  O2(g)           -12.23    -15.13   -2.89  O2
+  O[18O](g)       -14.93    -17.83   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6658,6 +6680,7 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99519e-03	        -4.9944  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
+     R(18O) O2(aq)       	 1.99519e-03	        -4.9944  permil    
      R(13C) CO2(aq)      	 1.10560e-02	        -11.109  permil    
      R(14C) CO2(aq)      	 1.42838e-13	         12.147  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
@@ -6667,8 +6690,6 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99519e-03	        -4.9944  permil    
      R(13C) CO3-2        	 1.11362e-02	         -3.937  permil    
      R(14C) CO3-2        	 1.44918e-13	         12.324  pmc       
-     R(13C) CH4(aq)      	 1.10560e-02	        -11.109  permil    
-     R(14C) CH4(aq)      	 1.42838e-13	         12.147  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11743e-02	       -0.52978  permil    
      R(14C) Calcite      	 1.45911e-13	         12.409  pmc       
@@ -6681,15 +6702,14 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2877e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7228e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7185e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    6.4393e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -6707,16 +6727,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.294      Adjusted to redox equilibrium
+                                       pe  =  10.739      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  77
+                               Iterations  =  74
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -6728,14 +6748,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         6.922e-25
-   CH4             6.922e-25   6.933e-25   -24.160   -24.159     0.001     (0)  
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -120.427  -120.426     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -6744,9 +6764,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -6754,23 +6774,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.792e-15
-   H2              2.896e-15   2.901e-15   -14.538   -14.537     0.001     (0)  
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.307   -63.307     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -65.706   -65.706     0.001     (0)  
-[13C](-4)     7.653e-27
-   [13C]H4         7.653e-27   7.665e-27   -26.116   -26.115     0.001     (0)  
+H(0)          4.967e-39
+   H2              2.483e-39   2.488e-39   -38.605   -38.604     0.001     (0)  
+O(0)          1.345e-15
+   O2              6.699e-16   6.710e-16   -15.174   -15.173     0.001     (0)  
+   O[18O]          2.673e-18   2.677e-18   -17.573   -17.572     0.001     (0)  
+[13C](-4)     0.000e+00
+   [13C]H4         0.000e+00   0.000e+00  -122.383  -122.382     0.001     (0)  
 [13C](4)      6.503e-05
    H[13C]O3-       5.245e-05   4.799e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.578e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
@@ -6779,56 +6799,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
-[14C](-4)     9.887e-38
-   [14C]H4         9.887e-38   9.903e-38   -37.005   -37.004     0.001     (0)  
+[14C](-4)     0.000e+00
+   [14C]H4         0.000e+00   0.000e+00  -133.272  -133.271     0.001     (0)  
 [14C](4)      8.462e-16
    H[14C]O3-       6.836e-16   6.254e-16   -15.165   -15.204    -0.039     (0)  
    [14C]O2         1.422e-16   1.425e-16   -15.847   -15.846     0.001     (0)  
    CaH[14C]O3+     1.444e-17   1.324e-17   -16.841   -16.878    -0.037     (0)  
-   H[14C]O2[18O]-   1.364e-18   1.248e-18   -17.865   -17.904    -0.039     (0)  
-   H[14C]O[18O]O-   1.364e-18   1.248e-18   -17.865   -17.904    -0.039     (0)  
    H[14C][18O]O2-   1.364e-18   1.248e-18   -17.865   -17.904    -0.039     (0)  
+   H[14C]O[18O]O-   1.364e-18   1.248e-18   -17.865   -17.904    -0.039     (0)  
+   H[14C]O2[18O]-   1.364e-18   1.248e-18   -17.865   -17.904    -0.039     (0)  
    Ca[14C]O3       7.913e-19   7.926e-19   -18.102   -18.101     0.001     (0)  
    [14C]O[18O]     5.915e-19   5.925e-19   -18.228   -18.227     0.001     (0)  
    [14C]O3-2       4.059e-19   2.844e-19   -18.392   -18.546    -0.155     (0)  
    CaH[14C]O2[18O]+   2.880e-20   2.642e-20   -19.541   -19.578    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.880e-20   2.642e-20   -19.541   -19.578    -0.037     (0)  
    CaH[14C][18O]O2+   2.880e-20   2.642e-20   -19.541   -19.578    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.880e-20   2.642e-20   -19.541   -19.578    -0.037     (0)  
    Ca[14C]O2[18O]   4.737e-21   4.744e-21   -20.325   -20.324     0.001     (0)  
-   H[14C]O[18O]2-   2.721e-21   2.490e-21   -20.565   -20.604    -0.039     (0)  
    H[14C][18O]2O-   2.721e-21   2.490e-21   -20.565   -20.604    -0.039     (0)  
    H[14C][18O]O[18O]-   2.721e-21   2.490e-21   -20.565   -20.604    -0.039     (0)  
+   H[14C]O[18O]2-   2.721e-21   2.490e-21   -20.565   -20.604    -0.039     (0)  
    [14C]O2[18O]-2   2.430e-21   1.702e-21   -20.614   -20.769    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -65.706   -65.706     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -68.708   -68.707     0.001     (0)  
+[18O](0)      2.678e-18
+   O[18O]          2.673e-18   2.677e-18   -17.573   -17.572     0.001     (0)  
+   [18O]2          2.667e-21   2.671e-21   -20.574   -20.573     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -23.26    -26.12   -2.86  [13C]H4
+  [13C]H4(g)     -119.52   -122.38   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.74    -21.25   -1.50  [14C][18O]2
-  [14C]H4(g)      -34.14    -37.00   -2.86  [14C]H4
+  [14C]H4(g)     -130.41   -133.27   -2.86  [14C]H4
   [14C]O2(g)      -14.38    -15.85   -1.47  [14C]O2
   [14C]O[18O](g)  -16.76    -18.55   -1.79  [14C]O[18O]
-  [18O]2(g)       -66.42    -68.71   -2.29  [18O]2
+  [18O]2(g)       -18.28    -20.57   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -6842,14 +6862,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -21.30    -24.16   -2.86  CH4
+  CH4(g)         -117.57   -120.43   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -11.39    -14.54   -3.15  H2
+  H2(g)           -35.45    -38.60   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -60.41    -63.31   -2.89  O2
-  O[18O](g)       -63.11    -66.01   -2.89  O[18O]
+  O2(g)           -12.28    -15.17   -2.89  O2
+  O[18O](g)       -14.98    -17.87   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6873,12 +6893,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 31.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -6964,14 +6978,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5865e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5808e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -7.3275e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -7.1054e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.0325e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -6989,16 +7003,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.706      Adjusted to redox equilibrium
+                                       pe  =  -1.504      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.396e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  86 (187 overall)
+                               Iterations  =  77
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -7010,25 +7024,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.370e-21
-   CH4             1.370e-21   1.373e-21   -20.863   -20.862     0.001     (0)  
+C(-4)         3.301e-23
+   CH4             3.301e-23   3.306e-23   -22.481   -22.481     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -7036,81 +7050,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.863e-14
-   H2              1.932e-14   1.935e-14   -13.714   -13.713     0.001     (0)  
+H(0)          1.522e-14
+   H2              7.610e-15   7.622e-15   -14.119   -14.118     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.956   -64.955     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.355   -67.354     0.001     (0)  
-[13C](-4)     1.515e-23
-   [13C]H4         1.515e-23   1.518e-23   -22.819   -22.819     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.147   -64.146     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.546   -66.545     0.001     (0)  
+[13C](-4)     3.650e-25
+   [13C]H4         3.650e-25   3.656e-25   -24.438   -24.437     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.587e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.120e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
-[14C](-4)     1.803e-34
-   [14C]H4         1.803e-34   1.806e-34   -33.744   -33.743     0.001     (0)  
+[14C](-4)     4.343e-36
+   [14C]H4         4.343e-36   4.350e-36   -35.362   -35.361     0.001     (0)  
 [14C](4)      7.796e-16
    H[14C]O3-       6.297e-16   5.761e-16   -15.201   -15.239    -0.039     (0)  
    [14C]O2         1.310e-16   1.313e-16   -15.883   -15.882     0.001     (0)  
    CaH[14C]O3+     1.330e-17   1.220e-17   -16.876   -16.914    -0.037     (0)  
-   H[14C]O2[18O]-   1.256e-18   1.149e-18   -17.901   -17.939    -0.039     (0)  
-   H[14C]O[18O]O-   1.256e-18   1.149e-18   -17.901   -17.939    -0.039     (0)  
    H[14C][18O]O2-   1.256e-18   1.149e-18   -17.901   -17.939    -0.039     (0)  
+   H[14C]O[18O]O-   1.256e-18   1.149e-18   -17.901   -17.939    -0.039     (0)  
+   H[14C]O2[18O]-   1.256e-18   1.149e-18   -17.901   -17.939    -0.039     (0)  
    Ca[14C]O3       7.290e-19   7.302e-19   -18.137   -18.137     0.001     (0)  
    [14C]O[18O]     5.449e-19   5.458e-19   -18.264   -18.263     0.001     (0)  
    [14C]O3-2       3.740e-19   2.620e-19   -18.427   -18.582    -0.155     (0)  
    CaH[14C]O2[18O]+   2.653e-20   2.434e-20   -19.576   -19.614    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.653e-20   2.434e-20   -19.576   -19.614    -0.037     (0)  
    CaH[14C][18O]O2+   2.653e-20   2.434e-20   -19.576   -19.614    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.653e-20   2.434e-20   -19.576   -19.614    -0.037     (0)  
    Ca[14C]O2[18O]   4.364e-21   4.371e-21   -20.360   -20.359     0.001     (0)  
+   H[14C][18O]O[18O]-   2.507e-21   2.293e-21   -20.601   -20.640    -0.039     (0)  
    H[14C]O[18O]2-   2.507e-21   2.293e-21   -20.601   -20.640    -0.039     (0)  
    H[14C][18O]2O-   2.507e-21   2.293e-21   -20.601   -20.640    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.507e-21   2.293e-21   -20.601   -20.640    -0.039     (0)  
    [14C]O2[18O]-2   2.238e-21   1.568e-21   -20.650   -20.805    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.355   -67.354     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.356   -70.355     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.546   -66.545     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.547   -69.546     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.96    -22.82   -2.86  [13C]H4
+  [13C]H4(g)      -21.58    -24.44   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.78    -21.28   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.88    -33.74   -2.86  [14C]H4
+  [14C]H4(g)      -32.50    -35.36   -2.86  [14C]H4
   [14C]O2(g)      -14.41    -15.88   -1.47  [14C]O2
   [14C]O[18O](g)  -16.79    -18.58   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.06    -70.36   -2.29  [18O]2
+  [18O]2(g)       -67.26    -69.55   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -7124,14 +7138,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -18.00    -20.86   -2.86  CH4
+  CH4(g)          -19.62    -22.48   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.56    -13.71   -3.15  H2
+  H2(g)           -10.97    -14.12   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.06    -64.96   -2.89  O2
-  O[18O](g)       -64.76    -67.66   -2.89  O[18O]
+  O2(g)           -61.25    -64.15   -2.89  O2
+  O[18O](g)       -63.95    -66.85   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7240,14 +7254,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7131e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6409e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.0214e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.8541e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1102e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.3545e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -7265,16 +7279,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.821      Adjusted to redox equilibrium
+                                       pe  =  -1.474      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.843e-13
+                  Electrical balance (eq)  =   5.396e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  92
+                               Iterations  = 100
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -7286,15 +7300,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.143e-20
-   CH4             1.143e-20   1.145e-20   -19.942   -19.941     0.001     (0)  
+C(-4)         1.896e-23
+   CH4             1.896e-23   1.899e-23   -22.722   -22.721     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -7302,9 +7316,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -7312,50 +7326,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.566e-14
-   H2              3.283e-14   3.288e-14   -13.484   -13.483     0.001     (0)  
+H(0)          1.325e-14
+   H2              6.625e-15   6.636e-15   -14.179   -14.178     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.416   -65.416     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.815   -67.815     0.001     (0)  
-[13C](-4)     1.264e-22
-   [13C]H4         1.264e-22   1.266e-22   -21.898   -21.897     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.026   -64.026     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.425   -66.425     0.001     (0)  
+[13C](-4)     2.097e-25
+   [13C]H4         2.097e-25   2.101e-25   -24.678   -24.678     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.248e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
-[14C](-4)     1.386e-33
-   [14C]H4         1.386e-33   1.388e-33   -32.858   -32.858     0.001     (0)  
+[14C](-4)     2.299e-36
+   [14C]H4         2.299e-36   2.303e-36   -35.639   -35.638     0.001     (0)  
 [14C](4)      7.182e-16
    H[14C]O3-       5.801e-16   5.307e-16   -15.236   -15.275    -0.039     (0)  
    [14C]O2         1.207e-16   1.209e-16   -15.918   -15.918     0.001     (0)  
    CaH[14C]O3+     1.225e-17   1.124e-17   -16.912   -16.949    -0.037     (0)  
-   H[14C]O2[18O]-   1.157e-18   1.059e-18   -17.936   -17.975    -0.039     (0)  
-   H[14C]O[18O]O-   1.157e-18   1.059e-18   -17.936   -17.975    -0.039     (0)  
    H[14C][18O]O2-   1.157e-18   1.059e-18   -17.936   -17.975    -0.039     (0)  
+   H[14C]O[18O]O-   1.157e-18   1.059e-18   -17.936   -17.975    -0.039     (0)  
+   H[14C]O2[18O]-   1.157e-18   1.059e-18   -17.936   -17.975    -0.039     (0)  
    Ca[14C]O3       6.716e-19   6.727e-19   -18.173   -18.172     0.001     (0)  
    [14C]O[18O]     5.020e-19   5.028e-19   -18.299   -18.299     0.001     (0)  
    [14C]O3-2       3.445e-19   2.413e-19   -18.463   -18.617    -0.155     (0)  
    CaH[14C]O2[18O]+   2.444e-20   2.242e-20   -19.612   -19.649    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.444e-20   2.242e-20   -19.612   -19.649    -0.037     (0)  
    CaH[14C][18O]O2+   2.444e-20   2.242e-20   -19.612   -19.649    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.444e-20   2.242e-20   -19.612   -19.649    -0.037     (0)  
    Ca[14C]O2[18O]   4.020e-21   4.026e-21   -20.396   -20.395     0.001     (0)  
    H[14C]O[18O]2-   2.309e-21   2.113e-21   -20.637   -20.675    -0.039     (0)  
    H[14C][18O]2O-   2.309e-21   2.113e-21   -20.637   -20.675    -0.039     (0)  
@@ -7364,29 +7378,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.815   -67.815     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.816   -70.816     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.425   -66.425     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.426   -69.426     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.04    -21.90   -2.86  [13C]H4
+  [13C]H4(g)      -21.82    -24.68   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.81    -21.32   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.00    -32.86   -2.86  [14C]H4
+  [14C]H4(g)      -32.78    -35.64   -2.86  [14C]H4
   [14C]O2(g)      -14.45    -15.92   -1.47  [14C]O2
   [14C]O[18O](g)  -16.83    -18.62   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.53    -70.82   -2.29  [18O]2
+  [18O]2(g)       -67.14    -69.43   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -7400,14 +7414,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.08    -19.94   -2.86  CH4
+  CH4(g)          -19.86    -22.72   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.33    -13.48   -3.15  H2
+  H2(g)           -11.03    -14.18   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.52    -65.42   -2.89  O2
-  O[18O](g)       -65.22    -68.12   -2.89  O[18O]
+  O2(g)           -61.13    -64.03   -2.89  O2
+  O[18O](g)       -63.83    -66.73   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7431,12 +7445,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 33.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -7522,14 +7530,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6374e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6317e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -9.2149e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.3291e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3101e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -5.5511e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -7547,16 +7555,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.829      Adjusted to redox equilibrium
+                                       pe  =  -1.842      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.296e-13
+                  Electrical balance (eq)  =   5.396e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  51 (152 overall)
+                               Iterations  =  79
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -7568,25 +7576,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.310e-20
-   CH4             1.310e-20   1.312e-20   -19.883   -19.882     0.001     (0)  
+C(-4)         1.673e-20
+   CH4             1.673e-20   1.676e-20   -19.777   -19.776     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -7594,23 +7602,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.793e-14
-   H2              3.397e-14   3.402e-14   -13.469   -13.468     0.001     (0)  
+H(0)          7.222e-14
+   H2              3.611e-14   3.617e-14   -13.442   -13.442     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.446   -65.445     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.845   -67.844     0.001     (0)  
-[13C](-4)     1.449e-22
-   [13C]H4         1.449e-22   1.452e-22   -21.839   -21.838     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.499   -65.498     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.898   -67.897     0.001     (0)  
+[13C](-4)     1.851e-22
+   [13C]H4         1.851e-22   1.854e-22   -21.733   -21.732     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.248e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
@@ -7619,56 +7627,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
-[14C](-4)     1.463e-33
-   [14C]H4         1.463e-33   1.465e-33   -32.835   -32.834     0.001     (0)  
+[14C](-4)     1.868e-33
+   [14C]H4         1.868e-33   1.871e-33   -32.729   -32.728     0.001     (0)  
 [14C](4)      6.616e-16
    H[14C]O3-       5.344e-16   4.889e-16   -15.272   -15.311    -0.039     (0)  
    [14C]O2         1.112e-16   1.114e-16   -15.954   -15.953     0.001     (0)  
    CaH[14C]O3+     1.129e-17   1.035e-17   -16.947   -16.985    -0.037     (0)  
-   H[14C]O2[18O]-   1.066e-18   9.755e-19   -17.972   -18.011    -0.039     (0)  
-   H[14C]O[18O]O-   1.066e-18   9.755e-19   -17.972   -18.011    -0.039     (0)  
    H[14C][18O]O2-   1.066e-18   9.755e-19   -17.972   -18.011    -0.039     (0)  
+   H[14C]O[18O]O-   1.066e-18   9.755e-19   -17.972   -18.011    -0.039     (0)  
+   H[14C]O2[18O]-   1.066e-18   9.755e-19   -17.972   -18.011    -0.039     (0)  
    Ca[14C]O3       6.187e-19   6.197e-19   -18.209   -18.208     0.001     (0)  
    [14C]O[18O]     4.624e-19   4.632e-19   -18.335   -18.334     0.001     (0)  
    [14C]O3-2       3.174e-19   2.223e-19   -18.498   -18.653    -0.155     (0)  
    CaH[14C]O2[18O]+   2.252e-20   2.066e-20   -19.647   -19.685    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.252e-20   2.066e-20   -19.647   -19.685    -0.037     (0)  
    CaH[14C][18O]O2+   2.252e-20   2.066e-20   -19.647   -19.685    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.252e-20   2.066e-20   -19.647   -19.685    -0.037     (0)  
    Ca[14C]O2[18O]   3.703e-21   3.709e-21   -20.431   -20.431     0.001     (0)  
-   H[14C]O[18O]2-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
    H[14C][18O]2O-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
    H[14C][18O]O[18O]-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
+   H[14C]O[18O]2-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
    [14C]O2[18O]-2   1.900e-21   1.331e-21   -20.721   -20.876    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.845   -67.844     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.846   -70.845     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.898   -67.897     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.899   -70.898     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.98    -21.84   -2.86  [13C]H4
+  [13C]H4(g)      -18.87    -21.73   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.85    -21.35   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.97    -32.83   -2.86  [14C]H4
+  [14C]H4(g)      -29.87    -32.73   -2.86  [14C]H4
   [14C]O2(g)      -14.48    -15.95   -1.47  [14C]O2
   [14C]O[18O](g)  -16.87    -18.65   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.56    -70.85   -2.29  [18O]2
+  [18O]2(g)       -68.61    -70.90   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -7682,14 +7690,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.02    -19.88   -2.86  CH4
+  CH4(g)          -16.92    -19.78   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.32    -13.47   -3.15  H2
+  H2(g)           -10.29    -13.44   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.55    -65.45   -2.89  O2
-  O[18O](g)       -65.25    -68.15   -2.89  O[18O]
+  O2(g)           -62.61    -65.50   -2.89  O2
+  O[18O](g)       -65.31    -68.20   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7713,12 +7721,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 34.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -7804,14 +7806,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6239e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.512e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -8.4377e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.2546e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1      9.77e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.7748e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -7829,16 +7831,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.784      Adjusted to redox equilibrium
+                                       pe  =  -1.823      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 118 (219 overall)
+                               Iterations  =  84
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -7850,15 +7852,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         5.806e-21
-   CH4             5.806e-21   5.815e-21   -20.236   -20.235     0.001     (0)  
+C(-4)         1.175e-20
+   CH4             1.175e-20   1.177e-20   -19.930   -19.929     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -7866,9 +7868,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -7876,81 +7878,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.543e-14
-   H2              2.771e-14   2.776e-14   -13.557   -13.557     0.001     (0)  
+H(0)          6.611e-14
+   H2              3.305e-14   3.311e-14   -13.481   -13.480     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.269   -65.269     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.668   -67.668     0.001     (0)  
-[13C](-4)     6.423e-23
-   [13C]H4         6.423e-23   6.434e-23   -22.192   -22.192     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.422   -65.422     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.821   -67.821     0.001     (0)  
+[13C](-4)     1.300e-22
+   [13C]H4         1.300e-22   1.302e-22   -21.886   -21.885     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
-[14C](-4)     5.973e-34
-   [14C]H4         5.973e-34   5.983e-34   -33.224   -33.223     0.001     (0)  
+[14C](-4)     1.208e-33
+   [14C]H4         1.208e-33   1.210e-33   -32.918   -32.917     0.001     (0)  
 [14C](4)      6.095e-16
    H[14C]O3-       4.923e-16   4.504e-16   -15.308   -15.346    -0.039     (0)  
    [14C]O2         1.024e-16   1.026e-16   -15.990   -15.989     0.001     (0)  
    CaH[14C]O3+     1.040e-17   9.537e-18   -16.983   -17.021    -0.037     (0)  
-   H[14C]O2[18O]-   9.823e-19   8.987e-19   -18.008   -18.046    -0.039     (0)  
-   H[14C]O[18O]O-   9.823e-19   8.987e-19   -18.008   -18.046    -0.039     (0)  
    H[14C][18O]O2-   9.823e-19   8.987e-19   -18.008   -18.046    -0.039     (0)  
+   H[14C]O[18O]O-   9.823e-19   8.987e-19   -18.008   -18.046    -0.039     (0)  
+   H[14C]O2[18O]-   9.823e-19   8.987e-19   -18.008   -18.046    -0.039     (0)  
    Ca[14C]O3       5.699e-19   5.709e-19   -18.244   -18.243     0.001     (0)  
    [14C]O[18O]     4.260e-19   4.267e-19   -18.371   -18.370     0.001     (0)  
    [14C]O3-2       2.924e-19   2.048e-19   -18.534   -18.689    -0.155     (0)  
    CaH[14C]O2[18O]+   2.074e-20   1.903e-20   -19.683   -19.721    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.074e-20   1.903e-20   -19.683   -19.721    -0.037     (0)  
    CaH[14C][18O]O2+   2.074e-20   1.903e-20   -19.683   -19.721    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.074e-20   1.903e-20   -19.683   -19.721    -0.037     (0)  
    Ca[14C]O2[18O]   3.411e-21   3.417e-21   -20.467   -20.466     0.001     (0)  
+   H[14C][18O]O[18O]-   1.960e-21   1.793e-21   -20.708   -20.746    -0.039     (0)  
    H[14C]O[18O]2-   1.960e-21   1.793e-21   -20.708   -20.746    -0.039     (0)  
    H[14C][18O]2O-   1.960e-21   1.793e-21   -20.708   -20.746    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.960e-21   1.793e-21   -20.708   -20.746    -0.039     (0)  
    [14C]O2[18O]-2   1.750e-21   1.226e-21   -20.757   -20.912    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.668   -67.668     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.669   -70.669     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.821   -67.821     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.822   -70.822     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.33    -22.19   -2.86  [13C]H4
+  [13C]H4(g)      -19.03    -21.89   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.89    -21.39   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.36    -33.22   -2.86  [14C]H4
+  [14C]H4(g)      -30.06    -32.92   -2.86  [14C]H4
   [14C]O2(g)      -14.52    -15.99   -1.47  [14C]O2
   [14C]O[18O](g)  -16.90    -18.69   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.38    -70.67   -2.29  [18O]2
+  [18O]2(g)       -68.53    -70.82   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -7964,14 +7966,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.38    -20.24   -2.86  CH4
+  CH4(g)          -17.07    -19.93   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.41    -13.56   -3.15  H2
+  H2(g)           -10.33    -13.48   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.38    -65.27   -2.89  O2
-  O[18O](g)       -65.08    -67.97   -2.89  O[18O]
+  O2(g)           -62.53    -65.42   -2.89  O2
+  O[18O](g)       -65.23    -68.12   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8086,14 +8088,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6355e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5896e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -4.996e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1213e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2212e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    8.8818e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -8111,16 +8113,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.775      Adjusted to redox equilibrium
+                                       pe  =  -1.807      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 113 (214 overall)
+                               Iterations  =  67 (168 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -8132,25 +8134,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.840e-21
-   CH4             4.840e-21   4.848e-21   -20.315   -20.314     0.001     (0)  
+C(-4)         8.738e-21
+   CH4             8.738e-21   8.753e-21   -20.059   -20.058     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -8158,50 +8160,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.296e-14
-   H2              2.648e-14   2.653e-14   -13.577   -13.576     0.001     (0)  
+H(0)          6.139e-14
+   H2              3.070e-14   3.075e-14   -13.513   -13.512     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.230   -65.229     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.629   -67.628     0.001     (0)  
-[13C](-4)     5.356e-23
-   [13C]H4         5.356e-23   5.365e-23   -22.271   -22.270     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.358   -65.357     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.757   -67.756     0.001     (0)  
+[13C](-4)     9.670e-23
+   [13C]H4         9.670e-23   9.686e-23   -22.015   -22.014     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     4.587e-34
-   [14C]H4         4.587e-34   4.595e-34   -33.338   -33.338     0.001     (0)  
+[14C](-4)     8.282e-34
+   [14C]H4         8.282e-34   8.295e-34   -33.082   -33.081     0.001     (0)  
 [14C](4)      5.615e-16
    H[14C]O3-       4.536e-16   4.149e-16   -15.343   -15.382    -0.039     (0)  
    [14C]O2         9.438e-17   9.453e-17   -16.025   -16.024     0.001     (0)  
    CaH[14C]O3+     9.578e-18   8.786e-18   -17.019   -17.056    -0.037     (0)  
-   H[14C]O2[18O]-   9.049e-19   8.279e-19   -18.043   -18.082    -0.039     (0)  
-   H[14C]O[18O]O-   9.049e-19   8.279e-19   -18.043   -18.082    -0.039     (0)  
    H[14C][18O]O2-   9.049e-19   8.279e-19   -18.043   -18.082    -0.039     (0)  
+   H[14C]O[18O]O-   9.049e-19   8.279e-19   -18.043   -18.082    -0.039     (0)  
+   H[14C]O2[18O]-   9.049e-19   8.279e-19   -18.043   -18.082    -0.039     (0)  
    Ca[14C]O3       5.250e-19   5.259e-19   -18.280   -18.279     0.001     (0)  
    [14C]O[18O]     3.924e-19   3.931e-19   -18.406   -18.406     0.001     (0)  
    [14C]O3-2       2.693e-19   1.887e-19   -18.570   -18.724    -0.155     (0)  
    CaH[14C]O2[18O]+   1.911e-20   1.753e-20   -19.719   -19.756    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.911e-20   1.753e-20   -19.719   -19.756    -0.037     (0)  
    CaH[14C][18O]O2+   1.911e-20   1.753e-20   -19.719   -19.756    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.911e-20   1.753e-20   -19.719   -19.756    -0.037     (0)  
    Ca[14C]O2[18O]   3.143e-21   3.148e-21   -20.503   -20.502     0.001     (0)  
    H[14C]O[18O]2-   1.805e-21   1.652e-21   -20.743   -20.782    -0.039     (0)  
    H[14C][18O]2O-   1.805e-21   1.652e-21   -20.743   -20.782    -0.039     (0)  
@@ -8210,29 +8212,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.629   -67.628     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.630   -70.629     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.757   -67.756     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.758   -70.757     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.41    -22.27   -2.86  [13C]H4
+  [13C]H4(g)      -19.15    -22.01   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.92    -21.42   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.48    -33.34   -2.86  [14C]H4
+  [14C]H4(g)      -30.22    -33.08   -2.86  [14C]H4
   [14C]O2(g)      -14.56    -16.02   -1.47  [14C]O2
   [14C]O[18O](g)  -16.94    -18.72   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.34    -70.63   -2.29  [18O]2
+  [18O]2(g)       -68.47    -70.76   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -8246,14 +8248,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.45    -20.31   -2.86  CH4
+  CH4(g)          -17.20    -20.06   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.43    -13.58   -3.15  H2
+  H2(g)           -10.36    -13.51   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.34    -65.23   -2.89  O2
-  O[18O](g)       -65.04    -67.93   -2.89  O[18O]
+  O2(g)           -62.47    -65.36   -2.89  O2
+  O[18O](g)       -65.17    -68.06   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8344,7 +8346,6 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99519e-03	        -4.9936  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
-     R(18O) O2(aq)       	 1.99519e-03	        -4.9936  permil    
      R(13C) CO2(aq)      	 1.10672e-02	        -10.111  permil    
      R(14C) CO2(aq)      	 8.73076e-14	         7.4248  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
@@ -8354,6 +8355,8 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99519e-03	        -4.9936  permil    
      R(13C) CO3-2        	 1.11474e-02	        -2.9316  permil    
      R(14C) CO3-2        	 8.85785e-14	         7.5329  pmc       
+     R(13C) CH4(aq)      	 1.10672e-02	        -10.111  permil    
+     R(14C) CH4(aq)      	 8.73076e-14	         7.4248  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11856e-02	        0.47905  permil    
      R(14C) Calcite      	 8.91855e-14	         7.5845  pmc       
@@ -8366,14 +8369,15 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2539e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.7716e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6162e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5654e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
+Alpha 13C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -9.1038e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -8391,16 +8395,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.740      Adjusted to redox equilibrium
+                                       pe  =  -1.759      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  81 (182 overall)
+                               Iterations  = 118 (219 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -8412,14 +8416,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.436  -120.435     0.001     (0)  
+C(-4)         3.600e-21
+   CH4             3.600e-21   3.606e-21   -20.444   -20.443     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -8428,9 +8432,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -8438,23 +8442,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.942e-39
-   H2              2.471e-39   2.475e-39   -38.607   -38.606     0.001     (0)  
-O(0)          1.359e-15
-   O2              6.767e-16   6.779e-16   -15.170   -15.169     0.001     (0)  
-   O[18O]          2.700e-18   2.705e-18   -17.569   -17.568     0.001     (0)  
-[13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -122.392  -122.391     0.001     (0)  
+H(0)          4.919e-14
+   H2              2.459e-14   2.463e-14   -13.609   -13.608     0.001     (0)  
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -65.166   -65.165     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.565   -67.564     0.001     (0)  
+[13C](-4)     3.985e-23
+   [13C]H4         3.985e-23   3.991e-23   -22.400   -22.399     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
@@ -8463,56 +8467,56 @@ O(0)          1.359e-15
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -133.495  -133.494     0.001     (0)  
+[14C](-4)     3.143e-34
+   [14C]H4         3.143e-34   3.149e-34   -33.503   -33.502     0.001     (0)  
 [14C](4)      5.172e-16
    H[14C]O3-       4.178e-16   3.823e-16   -15.379   -15.418    -0.039     (0)  
    [14C]O2         8.694e-17   8.708e-17   -16.061   -16.060     0.001     (0)  
    CaH[14C]O3+     8.823e-18   8.094e-18   -17.054   -17.092    -0.037     (0)  
-   H[14C]O2[18O]-   8.336e-19   7.627e-19   -18.079   -18.118    -0.039     (0)  
-   H[14C]O[18O]O-   8.336e-19   7.627e-19   -18.079   -18.118    -0.039     (0)  
    H[14C][18O]O2-   8.336e-19   7.627e-19   -18.079   -18.118    -0.039     (0)  
+   H[14C]O[18O]O-   8.336e-19   7.627e-19   -18.079   -18.118    -0.039     (0)  
+   H[14C]O2[18O]-   8.336e-19   7.627e-19   -18.079   -18.118    -0.039     (0)  
    Ca[14C]O3       4.837e-19   4.845e-19   -18.315   -18.315     0.001     (0)  
    [14C]O[18O]     3.615e-19   3.621e-19   -18.442   -18.441     0.001     (0)  
    [14C]O3-2       2.481e-19   1.738e-19   -18.605   -18.760    -0.155     (0)  
    CaH[14C]O2[18O]+   1.760e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.760e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
    CaH[14C][18O]O2+   1.760e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.760e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
    Ca[14C]O2[18O]   2.895e-21   2.900e-21   -20.538   -20.538     0.001     (0)  
-   H[14C]O[18O]2-   1.663e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    H[14C][18O]2O-   1.663e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    H[14C][18O]O[18O]-   1.663e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
+   H[14C]O[18O]2-   1.663e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    [14C]O2[18O]-2   1.485e-21   1.040e-21   -20.828   -20.983    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.706e-18
-   O[18O]          2.700e-18   2.705e-18   -17.569   -17.568     0.001     (0)  
-   [18O]2          2.694e-21   2.698e-21   -20.570   -20.569     0.001     (0)  
+[18O](0)      0.000e+00
+   O[18O]          0.000e+00   0.000e+00   -67.565   -67.564     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.566   -70.565     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -119.53   -122.39   -2.86  [13C]H4
+  [13C]H4(g)      -19.54    -22.40   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.96    -21.46   -1.50  [14C][18O]2
-  [14C]H4(g)     -130.63   -133.49   -2.86  [14C]H4
+  [14C]H4(g)      -30.64    -33.50   -2.86  [14C]H4
   [14C]O2(g)      -14.59    -16.06   -1.47  [14C]O2
   [14C]O[18O](g)  -16.97    -18.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -18.28    -20.57   -2.29  [18O]2
+  [18O]2(g)       -68.27    -70.56   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -8526,14 +8530,14 @@ O(0)          1.359e-15
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -117.57   -120.43   -2.86  CH4
+  CH4(g)          -17.58    -20.44   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.46    -38.61   -3.15  H2
+  H2(g)           -10.46    -13.61   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -12.28    -15.17   -2.89  O2
-  O[18O](g)       -14.98    -17.87   -2.89  O[18O]
+  O2(g)           -62.27    -65.16   -2.89  O2
+  O[18O](g)       -64.97    -67.86   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8645,11 +8649,11 @@ Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6684e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7498e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    9.3259e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -7.8826e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -7.9936e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -8667,16 +8671,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.375      Adjusted to redox equilibrium
+                                       pe  =  -1.545      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  71
+                               Iterations  =  95
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -8688,25 +8692,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.093e-24
-   CH4             3.093e-24   3.099e-24   -23.510   -23.509     0.001     (0)  
+C(-4)         7.068e-23
+   CH4             7.068e-23   7.079e-23   -22.151   -22.150     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -8714,81 +8718,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.421e-15
-   H2              4.211e-15   4.218e-15   -14.376   -14.375     0.001     (0)  
+H(0)          1.841e-14
+   H2              9.206e-15   9.221e-15   -14.036   -14.035     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.633   -63.632     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -66.032   -66.031     0.001     (0)  
-[13C](-4)     3.424e-26
-   [13C]H4         3.424e-26   3.430e-26   -25.465   -25.465     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.312   -64.311     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.711   -66.710     0.001     (0)  
+[13C](-4)     7.823e-25
+   [13C]H4         7.823e-25   7.836e-25   -24.107   -24.106     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     2.488e-37
-   [14C]H4         2.488e-37   2.492e-37   -36.604   -36.603     0.001     (0)  
+[14C](-4)     5.685e-36
+   [14C]H4         5.685e-36   5.694e-36   -35.245   -35.245     0.001     (0)  
 [14C](4)      4.765e-16
    H[14C]O3-       3.849e-16   3.521e-16   -15.415   -15.453    -0.039     (0)  
    [14C]O2         8.009e-17   8.022e-17   -16.096   -16.096     0.001     (0)  
    CaH[14C]O3+     8.128e-18   7.456e-18   -17.090   -17.127    -0.037     (0)  
-   H[14C]O2[18O]-   7.680e-19   7.026e-19   -18.115   -18.153    -0.039     (0)  
-   H[14C]O[18O]O-   7.680e-19   7.026e-19   -18.115   -18.153    -0.039     (0)  
    H[14C][18O]O2-   7.680e-19   7.026e-19   -18.115   -18.153    -0.039     (0)  
+   H[14C]O[18O]O-   7.680e-19   7.026e-19   -18.115   -18.153    -0.039     (0)  
+   H[14C]O2[18O]-   7.680e-19   7.026e-19   -18.115   -18.153    -0.039     (0)  
    Ca[14C]O3       4.456e-19   4.463e-19   -18.351   -18.350     0.001     (0)  
    [14C]O[18O]     3.330e-19   3.336e-19   -18.477   -18.477     0.001     (0)  
    [14C]O3-2       2.286e-19   1.601e-19   -18.641   -18.796    -0.155     (0)  
    CaH[14C]O2[18O]+   1.622e-20   1.488e-20   -19.790   -19.827    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.622e-20   1.488e-20   -19.790   -19.827    -0.037     (0)  
    CaH[14C][18O]O2+   1.622e-20   1.488e-20   -19.790   -19.827    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.622e-20   1.488e-20   -19.790   -19.827    -0.037     (0)  
    Ca[14C]O2[18O]   2.667e-21   2.671e-21   -20.574   -20.573     0.001     (0)  
+   H[14C][18O]O[18O]-   1.532e-21   1.402e-21   -20.815   -20.853    -0.039     (0)  
    H[14C]O[18O]2-   1.532e-21   1.402e-21   -20.815   -20.853    -0.039     (0)  
    H[14C][18O]2O-   1.532e-21   1.402e-21   -20.815   -20.853    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.532e-21   1.402e-21   -20.815   -20.853    -0.039     (0)  
    [14C]O2[18O]-2   1.368e-21   9.585e-22   -20.864   -21.018    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -66.032   -66.031     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -69.033   -69.032     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.711   -66.710     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.712   -69.711     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -22.60    -25.46   -2.86  [13C]H4
+  [13C]H4(g)      -21.25    -24.11   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.99    -21.50   -1.50  [14C][18O]2
-  [14C]H4(g)      -33.74    -36.60   -2.86  [14C]H4
+  [14C]H4(g)      -32.38    -35.24   -2.86  [14C]H4
   [14C]O2(g)      -14.63    -16.10   -1.47  [14C]O2
   [14C]O[18O](g)  -17.01    -18.80   -1.79  [14C]O[18O]
-  [18O]2(g)       -66.74    -69.03   -2.29  [18O]2
+  [18O]2(g)       -67.42    -69.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -8802,14 +8806,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -20.65    -23.51   -2.86  CH4
+  CH4(g)          -19.29    -22.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -11.22    -14.37   -3.15  H2
+  H2(g)           -10.89    -14.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -60.74    -63.63   -2.89  O2
-  O[18O](g)       -63.44    -66.33   -2.89  O[18O]
+  O2(g)           -61.42    -64.31   -2.89  O2
+  O[18O](g)       -64.12    -67.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8916,12 +8920,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2675e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1    -2.245e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6194e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6309e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -8941,16 +8945,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.034      Adjusted to redox equilibrium
+                                       pe  =  10.690      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.296e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 100
+                               Iterations  =  98
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -8963,14 +8967,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.787  -122.786     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -120.033  -120.032     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -8978,9 +8982,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -8988,50 +8992,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.089e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.277e-39
-   H2              6.384e-40   6.394e-40   -39.195   -39.194     0.001     (0)  
-O(0)          2.036e-14
-   O2              1.014e-14   1.015e-14   -13.994   -13.993     0.001     (0)  
-   O[18O]          4.045e-17   4.052e-17   -16.393   -16.392     0.001     (0)  
+H(0)          6.232e-39
+   H2              3.116e-39   3.121e-39   -38.506   -38.506     0.001     (0)  
+O(0)          8.545e-16
+   O2              4.255e-16   4.262e-16   -15.371   -15.370     0.001     (0)  
+   O[18O]          1.698e-18   1.701e-18   -17.770   -17.769     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.742  -124.742     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -121.988  -121.988     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.089e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -135.917  -135.916     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -133.163  -133.162     0.001     (0)  
 [14C](4)      4.390e-16
    H[14C]O3-       3.546e-16   3.244e-16   -15.450   -15.489    -0.039     (0)  
    [14C]O2         7.378e-17   7.390e-17   -16.132   -16.131     0.001     (0)  
    CaH[14C]O3+     7.488e-18   6.869e-18   -17.126   -17.163    -0.037     (0)  
-   H[14C]O2[18O]-   7.075e-19   6.473e-19   -18.150   -18.189    -0.039     (0)  
-   H[14C]O[18O]O-   7.075e-19   6.473e-19   -18.150   -18.189    -0.039     (0)  
    H[14C][18O]O2-   7.075e-19   6.473e-19   -18.150   -18.189    -0.039     (0)  
+   H[14C]O[18O]O-   7.075e-19   6.473e-19   -18.150   -18.189    -0.039     (0)  
+   H[14C]O2[18O]-   7.075e-19   6.473e-19   -18.150   -18.189    -0.039     (0)  
    Ca[14C]O3       4.105e-19   4.112e-19   -18.387   -18.386     0.001     (0)  
    [14C]O[18O]     3.068e-19   3.073e-19   -18.513   -18.512     0.001     (0)  
    [14C]O3-2       2.106e-19   1.475e-19   -18.677   -18.831    -0.155     (0)  
    CaH[14C]O2[18O]+   1.494e-20   1.370e-20   -19.826   -19.863    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.494e-20   1.370e-20   -19.826   -19.863    -0.037     (0)  
    CaH[14C][18O]O2+   1.494e-20   1.370e-20   -19.826   -19.863    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.494e-20   1.370e-20   -19.826   -19.863    -0.037     (0)  
    Ca[14C]O2[18O]   2.457e-21   2.461e-21   -20.610   -20.609     0.001     (0)  
    H[14C]O[18O]2-   1.412e-21   1.291e-21   -20.850   -20.889    -0.039     (0)  
    H[14C][18O]2O-   1.412e-21   1.291e-21   -20.850   -20.889    -0.039     (0)  
@@ -9040,29 +9044,29 @@ O(0)          2.036e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.053e-17
-   O[18O]          4.045e-17   4.052e-17   -16.393   -16.392     0.001     (0)  
-   [18O]2          4.035e-20   4.042e-20   -19.394   -19.393     0.001     (0)  
+[18O](0)      1.701e-18
+   O[18O]          1.698e-18   1.701e-18   -17.770   -17.769     0.001     (0)  
+   [18O]2          1.694e-21   1.697e-21   -20.771   -20.770     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.88   -124.74   -2.86  [13C]H4
+  [13C]H4(g)     -119.13   -121.99   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.03    -21.53   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.06   -135.92   -2.86  [14C]H4
+  [14C]H4(g)     -130.30   -133.16   -2.86  [14C]H4
   [14C]O2(g)      -14.66    -16.13   -1.47  [14C]O2
   [14C]O[18O](g)  -17.04    -18.83   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.10    -19.39   -2.29  [18O]2
+  [18O]2(g)       -18.48    -20.77   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -9076,14 +9080,14 @@ O(0)          2.036e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.93   -122.79   -2.86  CH4
+  CH4(g)         -117.17   -120.03   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.04    -39.19   -3.15  H2
+  H2(g)           -35.36    -38.51   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.10    -13.99   -2.89  O2
-  O[18O](g)       -13.80    -16.69   -2.89  O[18O]
+  O2(g)           -12.48    -15.37   -2.89  O2
+  O[18O](g)       -15.18    -18.07   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9107,6 +9111,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 39.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -9190,12 +9200,12 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.241e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2448e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.758e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6954e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -9215,16 +9225,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.084      Adjusted to redox equilibrium
+                                       pe  =  10.980      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  70
+                               Iterations  =  70 (171 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -9237,24 +9247,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.182  -123.181     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.356  -122.355     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -9262,23 +9272,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.089e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.017e-39
-   H2              5.084e-40   5.093e-40   -39.294   -39.293     0.001     (0)  
-O(0)          3.209e-14
-   O2              1.598e-14   1.601e-14   -13.796   -13.796     0.001     (0)  
-   O[18O]          6.377e-17   6.388e-17   -16.195   -16.195     0.001     (0)  
+H(0)          1.636e-39
+   H2              8.182e-40   8.195e-40   -39.087   -39.086     0.001     (0)  
+O(0)          1.239e-14
+   O2              6.172e-15   6.182e-15   -14.210   -14.209     0.001     (0)  
+   O[18O]          2.463e-17   2.467e-17   -16.609   -16.608     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.138  -125.137     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.311  -124.311     0.001     (0)  
 [13C](4)      6.512e-05
    H[13C]O3-       5.253e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.588e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.588e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.588e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.588e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.089e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.592e-08    -7.339    -7.338     0.001     (0)  
@@ -9287,56 +9297,56 @@ O(0)          3.209e-14
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.645e-10   3.651e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.348  -136.347     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -135.521  -135.521     0.001     (0)  
 [14C](4)      4.044e-16
    H[14C]O3-       3.267e-16   2.989e-16   -15.486   -15.525    -0.039     (0)  
    [14C]O2         6.797e-17   6.808e-17   -16.168   -16.167     0.001     (0)  
    CaH[14C]O3+     6.898e-18   6.328e-18   -17.161   -17.199    -0.037     (0)  
-   H[14C]O2[18O]-   6.518e-19   5.963e-19   -18.186   -18.225    -0.039     (0)  
-   H[14C]O[18O]O-   6.518e-19   5.963e-19   -18.186   -18.225    -0.039     (0)  
    H[14C][18O]O2-   6.518e-19   5.963e-19   -18.186   -18.225    -0.039     (0)  
+   H[14C]O[18O]O-   6.518e-19   5.963e-19   -18.186   -18.225    -0.039     (0)  
+   H[14C]O2[18O]-   6.518e-19   5.963e-19   -18.186   -18.225    -0.039     (0)  
    Ca[14C]O3       3.782e-19   3.788e-19   -18.422   -18.422     0.001     (0)  
    [14C]O[18O]     2.826e-19   2.831e-19   -18.549   -18.548     0.001     (0)  
    [14C]O3-2       1.940e-19   1.359e-19   -18.712   -18.867    -0.155     (0)  
    CaH[14C]O2[18O]+   1.376e-20   1.263e-20   -19.861   -19.899    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.376e-20   1.263e-20   -19.861   -19.899    -0.037     (0)  
    CaH[14C][18O]O2+   1.376e-20   1.263e-20   -19.861   -19.899    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.376e-20   1.263e-20   -19.861   -19.899    -0.037     (0)  
    Ca[14C]O2[18O]   2.263e-21   2.267e-21   -20.645   -20.645     0.001     (0)  
-   H[14C]O[18O]2-   1.300e-21   1.190e-21   -20.886   -20.925    -0.039     (0)  
    H[14C][18O]2O-   1.300e-21   1.190e-21   -20.886   -20.925    -0.039     (0)  
    H[14C][18O]O[18O]-   1.300e-21   1.190e-21   -20.886   -20.925    -0.039     (0)  
+   H[14C]O[18O]2-   1.300e-21   1.190e-21   -20.886   -20.925    -0.039     (0)  
    [14C]O2[18O]-2   1.161e-21   8.134e-22   -20.935   -21.090    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.390e-17
-   O[18O]          6.377e-17   6.388e-17   -16.195   -16.195     0.001     (0)  
-   [18O]2          6.362e-20   6.372e-20   -19.196   -19.196     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.468e-17
+   O[18O]          2.463e-17   2.467e-17   -16.609   -16.608     0.001     (0)  
+   [18O]2          2.457e-20   2.461e-20   -19.610   -19.609     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.28   -125.14   -2.86  [13C]H4
+  [13C]H4(g)     -121.45   -124.31   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.06    -21.57   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.49   -136.35   -2.86  [14C]H4
+  [14C]H4(g)     -132.66   -135.52   -2.86  [14C]H4
   [14C]O2(g)      -14.70    -16.17   -1.47  [14C]O2
   [14C]O[18O](g)  -17.08    -18.87   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.91    -19.20   -2.29  [18O]2
+  [18O]2(g)       -17.32    -19.61   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -9350,14 +9360,14 @@ O(0)          3.209e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.32   -123.18   -2.86  CH4
+  CH4(g)         -119.49   -122.35   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.14    -39.29   -3.15  H2
+  H2(g)           -35.94    -39.09   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.90    -13.80   -2.89  O2
-  O[18O](g)       -13.60    -16.50   -2.89  O[18O]
+  O2(g)           -11.32    -14.21   -2.89  O2
+  O[18O](g)       -14.02    -16.91   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9381,12 +9391,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 40.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -9448,7 +9452,6 @@ Calcite                                     5.00e-04
      R(18O) H2O(l)       	 1.99519e-03	         -4.993  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
-     R(18O) O2(aq)       	 1.99519e-03	         -4.993  permil    
      R(13C) CO2(aq)      	 1.10721e-02	        -9.6709  permil    
      R(14C) CO2(aq)      	 6.28814e-14	         5.3476  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
@@ -9458,6 +9461,8 @@ Calcite                                     5.00e-04
      R(18O) CO3-2        	 1.99519e-03	         -4.993  permil    
      R(13C) CO3-2        	 1.11524e-02	        -2.4887  permil    
      R(14C) CO3-2        	 6.37967e-14	         5.4254  pmc       
+     R(13C) CH4(aq)      	 1.10721e-02	        -9.6709  permil    
+     R(14C) CH4(aq)      	 6.28814e-14	         5.3476  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11905e-02	        0.92343  permil    
      R(14C) Calcite      	 6.42339e-14	         5.4626  pmc       
@@ -9470,14 +9475,15 @@ Calcite                                     5.00e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2811e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.753e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5644e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
+Alpha 13C CH4(aq)/CO2(aq)                         1    6.2172e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.6653e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -9495,16 +9501,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.786      Adjusted to redox equilibrium
+                                       pe  =  -1.371      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 163 (264 overall)
+                               Iterations  =  83
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -9516,15 +9522,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.803  -120.802     0.001     (0)  
+C(-4)         2.861e-24
+   CH4             2.861e-24   2.865e-24   -23.544   -23.543     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -9532,9 +9538,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -9542,81 +9548,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.090e-08   6.100e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.000e-39
-   H2              2.000e-39   2.003e-39   -38.699   -38.698     0.001     (0)  
-O(0)          2.074e-15
-   O2              1.033e-15   1.035e-15   -14.986   -14.985     0.001     (0)  
-   O[18O]          4.122e-18   4.129e-18   -17.385   -17.384     0.001     (0)  
-[13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -122.759  -122.758     0.001     (0)  
+H(0)          8.258e-15
+   H2              4.129e-15   4.136e-15   -14.384   -14.383     0.001     (0)  
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -63.616   -63.615     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.015   -66.014     0.001     (0)  
+[13C](-4)     3.167e-26
+   [13C]H4         3.167e-26   3.172e-26   -25.499   -25.499     0.001     (0)  
 [13C](4)      6.513e-05
    H[13C]O3-       5.253e-05   4.806e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.090e-08   6.100e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.585e-08   4.592e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.124e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.645e-10   3.651e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.004  -134.004     0.001     (0)  
+[14C](-4)     1.799e-37
+   [14C]H4         1.799e-37   1.802e-37   -36.745   -36.744     0.001     (0)  
 [14C](4)      3.725e-16
    H[14C]O3-       3.009e-16   2.753e-16   -15.522   -15.560    -0.039     (0)  
    [14C]O2         6.262e-17   6.272e-17   -16.203   -16.203     0.001     (0)  
    CaH[14C]O3+     6.355e-18   5.829e-18   -17.197   -17.234    -0.037     (0)  
-   H[14C]O2[18O]-   6.004e-19   5.493e-19   -18.222   -18.260    -0.039     (0)  
-   H[14C]O[18O]O-   6.004e-19   5.493e-19   -18.222   -18.260    -0.039     (0)  
    H[14C][18O]O2-   6.004e-19   5.493e-19   -18.222   -18.260    -0.039     (0)  
+   H[14C]O[18O]O-   6.004e-19   5.493e-19   -18.222   -18.260    -0.039     (0)  
+   H[14C]O2[18O]-   6.004e-19   5.493e-19   -18.222   -18.260    -0.039     (0)  
    Ca[14C]O3       3.484e-19   3.489e-19   -18.458   -18.457     0.001     (0)  
    [14C]O[18O]     2.604e-19   2.608e-19   -18.584   -18.584     0.001     (0)  
    [14C]O3-2       1.787e-19   1.252e-19   -18.748   -18.902    -0.155     (0)  
    CaH[14C]O2[18O]+   1.268e-20   1.163e-20   -19.897   -19.934    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.268e-20   1.163e-20   -19.897   -19.934    -0.037     (0)  
    CaH[14C][18O]O2+   1.268e-20   1.163e-20   -19.897   -19.934    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.268e-20   1.163e-20   -19.897   -19.934    -0.037     (0)  
    Ca[14C]O2[18O]   2.085e-21   2.089e-21   -20.681   -20.680     0.001     (0)  
+   H[14C][18O]O[18O]-   1.198e-21   1.096e-21   -20.922   -20.960    -0.039     (0)  
    H[14C]O[18O]2-   1.198e-21   1.096e-21   -20.922   -20.960    -0.039     (0)  
    H[14C][18O]2O-   1.198e-21   1.096e-21   -20.922   -20.960    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.198e-21   1.096e-21   -20.922   -20.960    -0.039     (0)  
    [14C]O2[18O]-2   1.070e-21   7.493e-22   -20.971   -21.125    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.131e-18
-   O[18O]          4.122e-18   4.129e-18   -17.385   -17.384     0.001     (0)  
-   [18O]2          4.112e-21   4.119e-21   -20.386   -20.385     0.001     (0)  
+[18O](0)      0.000e+00
+   O[18O]          0.000e+00   0.000e+00   -66.015   -66.014     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.016   -69.015     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -119.90   -122.76   -2.86  [13C]H4
+  [13C]H4(g)      -22.64    -25.50   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.10    -21.60   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.14   -134.00   -2.86  [14C]H4
+  [14C]H4(g)      -33.88    -36.74   -2.86  [14C]H4
   [14C]O2(g)      -14.73    -16.20   -1.47  [14C]O2
   [14C]O[18O](g)  -17.12    -18.90   -1.79  [14C]O[18O]
-  [18O]2(g)       -18.09    -20.39   -2.29  [18O]2
+  [18O]2(g)       -66.72    -69.01   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -9630,14 +9636,14 @@ O(0)          2.074e-15
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -117.94   -120.80   -2.86  CH4
+  CH4(g)          -20.68    -23.54   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.55    -38.70   -3.15  H2
+  H2(g)           -11.23    -14.38   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -12.09    -14.99   -2.89  O2
-  O[18O](g)       -14.79    -17.69   -2.89  O[18O]
+  O2(g)           -60.72    -63.61   -2.89  O2
+  O[18O](g)       -63.42    -66.31   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9661,12 +9667,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 41.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -9752,14 +9752,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7878e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6539e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.4988e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1324e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    3.7748e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    4.4409e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -9777,16 +9777,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.842      Adjusted to redox equilibrium
+                                       pe  =  -1.748      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  65 (166 overall)
+                               Iterations  = 100
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -9798,25 +9798,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.685e-20
-   CH4             1.685e-20   1.687e-20   -19.774   -19.773     0.001     (0)  
+C(-4)         2.946e-21
+   CH4             2.946e-21   2.951e-21   -20.531   -20.530     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -9824,50 +9824,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.090e-08   6.100e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.234e-14
-   H2              3.617e-14   3.623e-14   -13.442   -13.441     0.001     (0)  
+H(0)          4.678e-14
+   H2              2.339e-14   2.343e-14   -13.631   -13.630     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.501   -65.500     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.900   -67.899     0.001     (0)  
-[13C](-4)     1.865e-22
-   [13C]H4         1.865e-22   1.868e-22   -21.729   -21.729     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.122   -65.121     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.521   -67.520     0.001     (0)  
+[13C](-4)     3.262e-23
+   [13C]H4         3.262e-23   3.267e-23   -22.487   -22.486     0.001     (0)  
 [13C](4)      6.513e-05
    H[13C]O3-       5.253e-05   4.806e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.589e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.090e-08   6.100e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.585e-08   4.593e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.124e-08   2.189e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.645e-10   3.651e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     9.758e-34
-   [14C]H4         9.758e-34   9.774e-34   -33.011   -33.010     0.001     (0)  
+[14C](-4)     1.706e-34
+   [14C]H4         1.706e-34   1.709e-34   -33.768   -33.767     0.001     (0)  
 [14C](4)      3.432e-16
    H[14C]O3-       2.772e-16   2.536e-16   -15.557   -15.596    -0.039     (0)  
    [14C]O2         5.768e-17   5.778e-17   -16.239   -16.238     0.001     (0)  
    CaH[14C]O3+     5.854e-18   5.370e-18   -17.233   -17.270    -0.037     (0)  
-   H[14C]O2[18O]-   5.531e-19   5.060e-19   -18.257   -18.296    -0.039     (0)  
-   H[14C]O[18O]O-   5.531e-19   5.060e-19   -18.257   -18.296    -0.039     (0)  
    H[14C][18O]O2-   5.531e-19   5.060e-19   -18.257   -18.296    -0.039     (0)  
+   H[14C]O[18O]O-   5.531e-19   5.060e-19   -18.257   -18.296    -0.039     (0)  
+   H[14C]O2[18O]-   5.531e-19   5.060e-19   -18.257   -18.296    -0.039     (0)  
    Ca[14C]O3       3.209e-19   3.215e-19   -18.494   -18.493     0.001     (0)  
    [14C]O[18O]     2.399e-19   2.403e-19   -18.620   -18.619     0.001     (0)  
    [14C]O3-2       1.646e-19   1.153e-19   -18.783   -18.938    -0.155     (0)  
    CaH[14C]O2[18O]+   1.168e-20   1.071e-20   -19.933   -19.970    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.168e-20   1.071e-20   -19.933   -19.970    -0.037     (0)  
    CaH[14C][18O]O2+   1.168e-20   1.071e-20   -19.933   -19.970    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.168e-20   1.071e-20   -19.933   -19.970    -0.037     (0)  
    Ca[14C]O2[18O]   1.921e-21   1.924e-21   -20.716   -20.716     0.001     (0)  
    H[14C]O[18O]2-   1.104e-21   1.010e-21   -20.957   -20.996    -0.039     (0)  
    H[14C][18O]2O-   1.104e-21   1.010e-21   -20.957   -20.996    -0.039     (0)  
@@ -9876,29 +9876,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.900   -67.899     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.901   -70.900     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.521   -67.520     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.522   -70.521     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.87    -21.73   -2.86  [13C]H4
+  [13C]H4(g)      -19.63    -22.49   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.13    -21.64   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.15    -33.01   -2.86  [14C]H4
+  [14C]H4(g)      -30.91    -33.77   -2.86  [14C]H4
   [14C]O2(g)      -14.77    -16.24   -1.47  [14C]O2
   [14C]O[18O](g)  -17.15    -18.94   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.61    -70.90   -2.29  [18O]2
+  [18O]2(g)       -68.23    -70.52   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -9912,14 +9912,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.91    -19.77   -2.86  CH4
+  CH4(g)          -17.67    -20.53   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.29    -13.44   -3.15  H2
+  H2(g)           -10.48    -13.63   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.61    -65.50   -2.89  O2
-  O[18O](g)       -65.31    -68.20   -2.89  O[18O]
+  O2(g)           -62.23    -65.12   -2.89  O2
+  O[18O](g)       -64.93    -67.82   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9943,6 +9943,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 42.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -10028,14 +10034,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6321e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6174e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -9.992e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.4322e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3545e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    7.5495e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -10053,16 +10059,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.910      Adjusted to redox equilibrium
+                                       pe  =  -1.651      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  57
+                               Iterations  =  90 (191 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -10074,14 +10080,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         5.915e-20
-   CH4             5.915e-20   5.925e-20   -19.228   -19.227     0.001     (0)  
+C(-4)         4.946e-22
+   CH4             4.946e-22   4.954e-22   -21.306   -21.305     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -10090,9 +10096,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -10100,23 +10106,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.091e-08   6.101e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.903e-14
-   H2              4.951e-14   4.960e-14   -13.305   -13.305     0.001     (0)  
+H(0)          2.995e-14
+   H2              1.497e-14   1.500e-14   -13.825   -13.824     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.773   -65.773     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.172   -68.172     0.001     (0)  
-[13C](-4)     6.551e-22
-   [13C]H4         6.551e-22   6.561e-22   -21.184   -21.183     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.735   -64.734     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.133   -67.133     0.001     (0)  
+[13C](-4)     5.477e-24
+   [13C]H4         5.477e-24   5.486e-24   -23.261   -23.261     0.001     (0)  
 [13C](4)      6.514e-05
    H[13C]O3-       5.254e-05   4.807e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.590e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.590e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.590e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.590e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.091e-08   6.101e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.586e-08   4.593e-08    -7.339    -7.338     0.001     (0)  
@@ -10125,56 +10131,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.646e-10   3.652e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     3.157e-33
-   [14C]H4         3.157e-33   3.162e-33   -32.501   -32.500     0.001     (0)  
+[14C](-4)     2.640e-35
+   [14C]H4         2.640e-35   2.644e-35   -34.578   -34.578     0.001     (0)  
 [14C](4)      3.162e-16
    H[14C]O3-       2.554e-16   2.336e-16   -15.593   -15.631    -0.039     (0)  
    [14C]O2         5.314e-17   5.323e-17   -16.275   -16.274     0.001     (0)  
    CaH[14C]O3+     5.393e-18   4.947e-18   -17.268   -17.306    -0.037     (0)  
-   H[14C]O2[18O]-   5.095e-19   4.662e-19   -18.293   -18.331    -0.039     (0)  
-   H[14C]O[18O]O-   5.095e-19   4.662e-19   -18.293   -18.331    -0.039     (0)  
    H[14C][18O]O2-   5.095e-19   4.662e-19   -18.293   -18.331    -0.039     (0)  
+   H[14C]O[18O]O-   5.095e-19   4.662e-19   -18.293   -18.331    -0.039     (0)  
+   H[14C]O2[18O]-   5.095e-19   4.662e-19   -18.293   -18.331    -0.039     (0)  
    Ca[14C]O3       2.956e-19   2.961e-19   -18.529   -18.529     0.001     (0)  
    [14C]O[18O]     2.210e-19   2.213e-19   -18.656   -18.655     0.001     (0)  
    [14C]O3-2       1.517e-19   1.062e-19   -18.819   -18.974    -0.155     (0)  
    CaH[14C]O2[18O]+   1.076e-20   9.870e-21   -19.968   -20.006    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.076e-20   9.870e-21   -19.968   -20.006    -0.037     (0)  
    CaH[14C][18O]O2+   1.076e-20   9.870e-21   -19.968   -20.006    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.076e-20   9.870e-21   -19.968   -20.006    -0.037     (0)  
    Ca[14C]O2[18O]   1.770e-21   1.773e-21   -20.752   -20.751     0.001     (0)  
-   H[14C]O[18O]2-   1.017e-21   9.301e-22   -20.993   -21.031    -0.039     (0)  
    H[14C][18O]2O-   1.017e-21   9.301e-22   -20.993   -21.031    -0.039     (0)  
    H[14C][18O]O[18O]-   1.017e-21   9.301e-22   -20.993   -21.031    -0.039     (0)  
+   H[14C]O[18O]2-   1.017e-21   9.301e-22   -20.993   -21.031    -0.039     (0)  
    [14C]O2[18O]-2   9.078e-22   6.359e-22   -21.042   -21.197    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.172   -68.172     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.173   -71.173     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.133   -67.133     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.135   -70.134     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.32    -21.18   -2.86  [13C]H4
+  [13C]H4(g)      -20.40    -23.26   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.17    -21.67   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.64    -32.50   -2.86  [14C]H4
+  [14C]H4(g)      -31.72    -34.58   -2.86  [14C]H4
   [14C]O2(g)      -14.81    -16.27   -1.47  [14C]O2
   [14C]O[18O](g)  -17.19    -18.97   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.88    -71.17   -2.29  [18O]2
+  [18O]2(g)       -67.84    -70.13   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -10188,14 +10194,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.37    -19.23   -2.86  CH4
+  CH4(g)          -18.45    -21.31   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.15    -13.30   -3.15  H2
+  H2(g)           -10.67    -13.82   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.88    -65.77   -2.89  O2
-  O[18O](g)       -65.58    -68.47   -2.89  O[18O]
+  O2(g)           -61.84    -64.73   -2.89  O2
+  O[18O](g)       -64.54    -67.43   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10219,12 +10225,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 43.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -10310,14 +10310,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7408e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6641e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.4433e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -8.1046e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -6.3283e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -10335,16 +10335,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.907      Adjusted to redox equilibrium
+                                       pe  =  -1.804      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.395e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  96 (197 overall)
+                               Iterations  =  54
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -10356,25 +10356,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         5.580e-20
-   CH4             5.580e-20   5.589e-20   -19.253   -19.253     0.001     (0)  
+C(-4)         8.270e-21
+   CH4             8.270e-21   8.283e-21   -20.083   -20.082     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -10382,81 +10382,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.091e-08   6.101e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.759e-14
-   H2              4.880e-14   4.888e-14   -13.312   -13.311     0.001     (0)  
+H(0)          6.055e-14
+   H2              3.028e-14   3.033e-14   -13.519   -13.518     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.761   -65.760     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.160   -68.159     0.001     (0)  
-[13C](-4)     6.179e-22
-   [13C]H4         6.179e-22   6.189e-22   -21.209   -21.208     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.346   -65.345     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.745   -67.744     0.001     (0)  
+[13C](-4)     9.158e-23
+   [13C]H4         9.158e-23   9.174e-23   -22.038   -22.037     0.001     (0)  
 [13C](4)      6.514e-05
    H[13C]O3-       5.254e-05   4.807e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.591e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.591e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.591e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.591e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.091e-08   6.101e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.586e-08   4.593e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.125e-08   2.189e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.646e-10   3.652e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     2.743e-33
-   [14C]H4         2.743e-33   2.748e-33   -32.562   -32.561     0.001     (0)  
+[14C](-4)     4.065e-34
+   [14C]H4         4.065e-34   4.072e-34   -33.391   -33.390     0.001     (0)  
 [14C](4)      2.913e-16
    H[14C]O3-       2.353e-16   2.152e-16   -15.628   -15.667    -0.039     (0)  
    [14C]O2         4.895e-17   4.904e-17   -16.310   -16.309     0.001     (0)  
    CaH[14C]O3+     4.968e-18   4.557e-18   -17.304   -17.341    -0.037     (0)  
-   H[14C]O2[18O]-   4.694e-19   4.294e-19   -18.328   -18.367    -0.039     (0)  
-   H[14C]O[18O]O-   4.694e-19   4.294e-19   -18.328   -18.367    -0.039     (0)  
    H[14C][18O]O2-   4.694e-19   4.294e-19   -18.328   -18.367    -0.039     (0)  
+   H[14C]O[18O]O-   4.694e-19   4.294e-19   -18.328   -18.367    -0.039     (0)  
+   H[14C]O2[18O]-   4.694e-19   4.294e-19   -18.328   -18.367    -0.039     (0)  
    Ca[14C]O3       2.724e-19   2.728e-19   -18.565   -18.564     0.001     (0)  
    [14C]O[18O]     2.036e-19   2.039e-19   -18.691   -18.691     0.001     (0)  
    [14C]O3-2       1.397e-19   9.788e-20   -18.855   -19.009    -0.155     (0)  
    CaH[14C]O2[18O]+   9.912e-21   9.093e-21   -20.004   -20.041    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.912e-21   9.093e-21   -20.004   -20.041    -0.037     (0)  
    CaH[14C][18O]O2+   9.912e-21   9.093e-21   -20.004   -20.041    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.912e-21   9.093e-21   -20.004   -20.041    -0.037     (0)  
    Ca[14C]O2[18O]   1.630e-21   1.633e-21   -20.788   -20.787     0.001     (0)  
+   H[14C][18O]O[18O]-   9.366e-22   8.568e-22   -21.028   -21.067    -0.039     (0)  
    H[14C]O[18O]2-   9.366e-22   8.568e-22   -21.028   -21.067    -0.039     (0)  
    H[14C][18O]2O-   9.366e-22   8.568e-22   -21.028   -21.067    -0.039     (0)  
-   H[14C][18O]O[18O]-   9.366e-22   8.568e-22   -21.028   -21.067    -0.039     (0)  
    [14C]O2[18O]-2   8.363e-22   5.858e-22   -21.078   -21.232    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.160   -68.159     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.161   -71.160     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.745   -67.744     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.746   -70.745     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.35    -21.21   -2.86  [13C]H4
+  [13C]H4(g)      -19.18    -22.04   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.21    -21.71   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.70    -32.56   -2.86  [14C]H4
+  [14C]H4(g)      -30.53    -33.39   -2.86  [14C]H4
   [14C]O2(g)      -14.84    -16.31   -1.47  [14C]O2
   [14C]O[18O](g)  -17.22    -19.01   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.87    -71.16   -2.29  [18O]2
+  [18O]2(g)       -68.46    -70.75   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -10470,14 +10470,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.39    -19.25   -2.86  CH4
+  CH4(g)          -17.22    -20.08   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.16    -13.31   -3.15  H2
+  H2(g)           -10.37    -13.52   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.87    -65.76   -2.89  O2
-  O[18O](g)       -65.57    -68.46   -2.89  O[18O]
+  O2(g)           -62.45    -65.35   -2.89  O2
+  O[18O](g)       -65.15    -68.05   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10501,12 +10501,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 44.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -10592,14 +10586,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6745e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.66e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    4.4409e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -10617,16 +10611,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.847      Adjusted to redox equilibrium
+                                       pe  =  -1.687      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 115 (216 overall)
+                               Iterations  =  51
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -10638,15 +10632,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.831e-20
-   CH4             1.831e-20   1.834e-20   -19.737   -19.737     0.001     (0)  
+C(-4)         9.647e-22
+   CH4             9.647e-22   9.663e-22   -21.016   -21.015     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -10654,9 +10648,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -10664,50 +10658,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.387e-14
-   H2              3.693e-14   3.699e-14   -13.433   -13.432     0.001     (0)  
+H(0)          3.539e-14
+   H2              1.769e-14   1.772e-14   -13.752   -13.751     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.519   -65.518     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.918   -67.917     0.001     (0)  
-[13C](-4)     2.028e-22
-   [13C]H4         2.028e-22   2.032e-22   -21.693   -21.692     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.880   -64.879     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.279   -67.278     0.001     (0)  
+[13C](-4)     1.069e-23
+   [13C]H4         1.069e-23   1.070e-23   -22.971   -22.971     0.001     (0)  
 [13C](4)      6.515e-05
    H[13C]O3-       5.255e-05   4.807e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.586e-08   4.594e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.125e-08   2.189e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.646e-10   3.652e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.870e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     8.294e-34
-   [14C]H4         8.294e-34   8.308e-34   -33.081   -33.081     0.001     (0)  
+[14C](-4)     4.369e-35
+   [14C]H4         4.369e-35   4.376e-35   -34.360   -34.359     0.001     (0)  
 [14C](4)      2.683e-16
    H[14C]O3-       2.167e-16   1.983e-16   -15.664   -15.703    -0.039     (0)  
    [14C]O2         4.510e-17   4.517e-17   -16.346   -16.345     0.001     (0)  
    CaH[14C]O3+     4.577e-18   4.198e-18   -17.339   -17.377    -0.037     (0)  
-   H[14C]O2[18O]-   4.324e-19   3.956e-19   -18.364   -18.403    -0.039     (0)  
-   H[14C]O[18O]O-   4.324e-19   3.956e-19   -18.364   -18.403    -0.039     (0)  
    H[14C][18O]O2-   4.324e-19   3.956e-19   -18.364   -18.403    -0.039     (0)  
+   H[14C]O[18O]O-   4.324e-19   3.956e-19   -18.364   -18.403    -0.039     (0)  
+   H[14C]O2[18O]-   4.324e-19   3.956e-19   -18.364   -18.403    -0.039     (0)  
    Ca[14C]O3       2.509e-19   2.513e-19   -18.600   -18.600     0.001     (0)  
    [14C]O[18O]     1.875e-19   1.878e-19   -18.727   -18.726     0.001     (0)  
    [14C]O3-2       1.287e-19   9.017e-20   -18.890   -19.045    -0.155     (0)  
    CaH[14C]O2[18O]+   9.132e-21   8.377e-21   -20.039   -20.077    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.132e-21   8.377e-21   -20.039   -20.077    -0.037     (0)  
    CaH[14C][18O]O2+   9.132e-21   8.377e-21   -20.039   -20.077    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.132e-21   8.377e-21   -20.039   -20.077    -0.037     (0)  
    Ca[14C]O2[18O]   1.502e-21   1.504e-21   -20.823   -20.823     0.001     (0)  
    H[14C]O[18O]2-   8.628e-22   7.893e-22   -21.064   -21.103    -0.039     (0)  
    H[14C][18O]2O-   8.628e-22   7.893e-22   -21.064   -21.103    -0.039     (0)  
@@ -10716,29 +10710,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.918   -67.917     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.919   -70.918     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.279   -67.278     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.280   -70.279     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.83    -21.69   -2.86  [13C]H4
+  [13C]H4(g)      -20.11    -22.97   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.24    -21.75   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.22    -33.08   -2.86  [14C]H4
+  [14C]H4(g)      -31.50    -34.36   -2.86  [14C]H4
   [14C]O2(g)      -14.88    -16.35   -1.47  [14C]O2
   [14C]O[18O](g)  -17.26    -19.05   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.63    -70.92   -2.29  [18O]2
+  [18O]2(g)       -67.99    -70.28   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -10752,14 +10746,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.88    -19.74   -2.86  CH4
+  CH4(g)          -18.15    -21.01   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.28    -13.43   -3.15  H2
+  H2(g)           -10.60    -13.75   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.63    -65.52   -2.89  O2
-  O[18O](g)       -65.33    -68.22   -2.89  O[18O]
+  O2(g)           -61.99    -64.88   -2.89  O2
+  O[18O](g)       -64.69    -67.58   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10783,6 +10777,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 45.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -10868,14 +10868,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6444e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5635e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    4.2188e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.6613e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.7319e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -10893,16 +10893,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.882      Adjusted to redox equilibrium
+                                       pe  =  -1.736      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  49
+                               Iterations  =  74 (175 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -10914,25 +10914,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.534e-20
-   CH4             3.534e-20   3.540e-20   -19.452   -19.451     0.001     (0)  
+C(-4)         2.387e-21
+   CH4             2.387e-21   2.391e-21   -20.622   -20.621     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -10940,23 +10940,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.706e-14
-   H2              4.353e-14   4.360e-14   -13.361   -13.360     0.001     (0)  
+H(0)          4.438e-14
+   H2              2.219e-14   2.223e-14   -13.654   -13.653     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.661   -65.661     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.060   -68.060     0.001     (0)  
-[13C](-4)     3.914e-22
-   [13C]H4         3.914e-22   3.921e-22   -21.407   -21.407     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.076   -65.076     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.475   -67.475     0.001     (0)  
+[13C](-4)     2.644e-23
+   [13C]H4         2.644e-23   2.648e-23   -22.578   -22.577     0.001     (0)  
 [13C](4)      6.515e-05
    H[13C]O3-       5.255e-05   4.808e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.592e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.587e-08   4.594e-08    -7.339    -7.338     0.001     (0)  
@@ -10965,56 +10965,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.646e-10   3.652e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     1.474e-33
-   [14C]H4         1.474e-33   1.477e-33   -32.831   -32.831     0.001     (0)  
+[14C](-4)     9.959e-35
+   [14C]H4         9.959e-35   9.975e-35   -34.002   -34.001     0.001     (0)  
 [14C](4)      2.472e-16
    H[14C]O3-       1.997e-16   1.827e-16   -15.700   -15.738    -0.039     (0)  
    [14C]O2         4.155e-17   4.161e-17   -16.381   -16.381     0.001     (0)  
    CaH[14C]O3+     4.216e-18   3.868e-18   -17.375   -17.413    -0.037     (0)  
-   H[14C]O2[18O]-   3.984e-19   3.645e-19   -18.400   -18.438    -0.039     (0)  
-   H[14C]O[18O]O-   3.984e-19   3.645e-19   -18.400   -18.438    -0.039     (0)  
    H[14C][18O]O2-   3.984e-19   3.645e-19   -18.400   -18.438    -0.039     (0)  
+   H[14C]O[18O]O-   3.984e-19   3.645e-19   -18.400   -18.438    -0.039     (0)  
+   H[14C]O2[18O]-   3.984e-19   3.645e-19   -18.400   -18.438    -0.039     (0)  
    Ca[14C]O3       2.311e-19   2.315e-19   -18.636   -18.635     0.001     (0)  
    [14C]O[18O]     1.728e-19   1.730e-19   -18.763   -18.762     0.001     (0)  
    [14C]O3-2       1.186e-19   8.306e-20   -18.926   -19.081    -0.155     (0)  
    CaH[14C]O2[18O]+   8.412e-21   7.717e-21   -20.075   -20.113    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.412e-21   7.717e-21   -20.075   -20.113    -0.037     (0)  
    CaH[14C][18O]O2+   8.412e-21   7.717e-21   -20.075   -20.113    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.412e-21   7.717e-21   -20.075   -20.113    -0.037     (0)  
    Ca[14C]O2[18O]   1.383e-21   1.386e-21   -20.859   -20.858     0.001     (0)  
-   H[14C]O[18O]2-   7.948e-22   7.272e-22   -21.100   -21.138    -0.039     (0)  
    H[14C][18O]2O-   7.948e-22   7.272e-22   -21.100   -21.138    -0.039     (0)  
    H[14C][18O]O[18O]-   7.948e-22   7.272e-22   -21.100   -21.138    -0.039     (0)  
+   H[14C]O[18O]2-   7.948e-22   7.272e-22   -21.100   -21.138    -0.039     (0)  
    [14C]O2[18O]-2   7.097e-22   4.972e-22   -21.149   -21.303    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.060   -68.060     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.062   -71.061     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.475   -67.475     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.476   -70.476     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.55    -21.41   -2.86  [13C]H4
+  [13C]H4(g)      -19.72    -22.58   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.28    -21.78   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.97    -32.83   -2.86  [14C]H4
+  [14C]H4(g)      -31.14    -34.00   -2.86  [14C]H4
   [14C]O2(g)      -14.91    -16.38   -1.47  [14C]O2
   [14C]O[18O](g)  -17.29    -19.08   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.77    -71.06   -2.29  [18O]2
+  [18O]2(g)       -68.19    -70.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -11028,14 +11028,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.59    -19.45   -2.86  CH4
+  CH4(g)          -17.76    -20.62   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.21    -13.36   -3.15  H2
+  H2(g)           -10.50    -13.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.77    -65.66   -2.89  O2
-  O[18O](g)       -65.47    -68.36   -2.89  O[18O]
+  O2(g)           -62.18    -65.08   -2.89  O2
+  O[18O](g)       -64.88    -67.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -11059,6 +11059,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 46.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -11144,14 +11150,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6011e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7528e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.9984e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    9.3259e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     2.176e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -11169,16 +11175,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.928      Adjusted to redox equilibrium
+                                       pe  =  -1.663      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.295e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  58
+                               Iterations  = 141 (242 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -11190,15 +11196,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         8.216e-20
-   CH4             8.216e-20   8.229e-20   -19.085   -19.085     0.001     (0)  
+C(-4)         6.150e-22
+   CH4             6.150e-22   6.160e-22   -21.211   -21.210     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -11206,9 +11212,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -11216,81 +11222,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.075e-13
-   H2              5.375e-14   5.384e-14   -13.270   -13.269     0.001     (0)  
+H(0)          3.162e-14
+   H2              1.581e-14   1.584e-14   -13.801   -13.800     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.845   -65.844     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.244   -68.243     0.001     (0)  
-[13C](-4)     9.101e-22
-   [13C]H4         9.101e-22   9.116e-22   -21.041   -21.040     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.782   -64.781     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.181   -67.180     0.001     (0)  
+[13C](-4)     6.812e-24
+   [13C]H4         6.812e-24   6.824e-24   -23.167   -23.166     0.001     (0)  
 [13C](4)      6.515e-05
    H[13C]O3-       5.255e-05   4.808e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.092e-08   6.102e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.587e-08   4.594e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.125e-08   2.189e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.647e-10   3.653e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     3.158e-33
-   [14C]H4         3.158e-33   3.163e-33   -32.501   -32.500     0.001     (0)  
+[14C](-4)     2.364e-35
+   [14C]H4         2.364e-35   2.368e-35   -34.626   -34.626     0.001     (0)  
 [14C](4)      2.277e-16
    H[14C]O3-       1.839e-16   1.683e-16   -15.735   -15.774    -0.039     (0)  
    [14C]O2         3.827e-17   3.834e-17   -16.417   -16.416     0.001     (0)  
    CaH[14C]O3+     3.884e-18   3.563e-18   -17.411   -17.448    -0.037     (0)  
-   H[14C]O2[18O]-   3.670e-19   3.357e-19   -18.435   -18.474    -0.039     (0)  
-   H[14C]O[18O]O-   3.670e-19   3.357e-19   -18.435   -18.474    -0.039     (0)  
    H[14C][18O]O2-   3.670e-19   3.357e-19   -18.435   -18.474    -0.039     (0)  
+   H[14C]O[18O]O-   3.670e-19   3.357e-19   -18.435   -18.474    -0.039     (0)  
+   H[14C]O2[18O]-   3.670e-19   3.357e-19   -18.435   -18.474    -0.039     (0)  
    Ca[14C]O3       2.129e-19   2.133e-19   -18.672   -18.671     0.001     (0)  
    [14C]O[18O]     1.592e-19   1.594e-19   -18.798   -18.797     0.001     (0)  
    [14C]O3-2       1.092e-19   7.652e-20   -18.962   -19.116    -0.155     (0)  
    CaH[14C]O2[18O]+   7.750e-21   7.109e-21   -20.111   -20.148    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.750e-21   7.109e-21   -20.111   -20.148    -0.037     (0)  
    CaH[14C][18O]O2+   7.750e-21   7.109e-21   -20.111   -20.148    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.750e-21   7.109e-21   -20.111   -20.148    -0.037     (0)  
    Ca[14C]O2[18O]   1.275e-21   1.277e-21   -20.895   -20.894     0.001     (0)  
+   H[14C][18O]O[18O]-   7.322e-22   6.699e-22   -21.135   -21.174    -0.039     (0)  
    H[14C]O[18O]2-   7.322e-22   6.699e-22   -21.135   -21.174    -0.039     (0)  
    H[14C][18O]2O-   7.322e-22   6.699e-22   -21.135   -21.174    -0.039     (0)  
-   H[14C][18O]O[18O]-   7.322e-22   6.699e-22   -21.135   -21.174    -0.039     (0)  
    [14C]O2[18O]-2   6.538e-22   4.580e-22   -21.185   -21.339    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.244   -68.243     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.245   -71.244     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.181   -67.180     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.182   -70.181     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.18    -21.04   -2.86  [13C]H4
+  [13C]H4(g)      -20.31    -23.17   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.31    -21.82   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.64    -32.50   -2.86  [14C]H4
+  [14C]H4(g)      -31.77    -34.63   -2.86  [14C]H4
   [14C]O2(g)      -14.95    -16.42   -1.47  [14C]O2
   [14C]O[18O](g)  -17.33    -19.12   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.95    -71.24   -2.29  [18O]2
+  [18O]2(g)       -67.89    -70.18   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -11304,14 +11310,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.22    -19.08   -2.86  CH4
+  CH4(g)          -18.35    -21.21   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.12    -13.27   -3.15  H2
+  H2(g)           -10.65    -13.80   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.95    -65.84   -2.89  O2
-  O[18O](g)       -65.65    -68.54   -2.89  O[18O]
+  O2(g)           -61.89    -64.78   -2.89  O2
+  O[18O](g)       -64.59    -67.48   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -11420,14 +11426,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1             0             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6854e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6772e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 13C CH4(aq)/CO2(aq)                         1    4.2188e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -11445,16 +11451,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.845      Adjusted to redox equilibrium
+                                       pe  =  -1.739      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.316e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  55
+                               Iterations  =  85
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -11466,25 +11472,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.773e-20
-   CH4             1.773e-20   1.775e-20   -19.751   -19.751     0.001     (0)  
+C(-4)         2.532e-21
+   CH4             2.532e-21   2.536e-21   -20.597   -20.596     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -11492,50 +11498,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.327e-14
-   H2              3.663e-14   3.669e-14   -13.436   -13.435     0.001     (0)  
+H(0)          4.504e-14
+   H2              2.252e-14   2.256e-14   -13.647   -13.647     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.512   -65.511     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.911   -67.910     0.001     (0)  
-[13C](-4)     1.964e-22
-   [13C]H4         1.964e-22   1.967e-22   -21.707   -21.706     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.089   -65.088     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.488   -67.487     0.001     (0)  
+[13C](-4)     2.805e-23
+   [13C]H4         2.805e-23   2.810e-23   -22.552   -22.551     0.001     (0)  
 [13C](4)      6.516e-05
    H[13C]O3-       5.256e-05   4.808e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.593e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.587e-08   4.595e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.647e-10   3.653e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     6.276e-34
-   [14C]H4         6.276e-34   6.286e-34   -33.202   -33.202     0.001     (0)  
+[14C](-4)     8.965e-35
+   [14C]H4         8.965e-35   8.980e-35   -34.047   -34.047     0.001     (0)  
 [14C](4)      2.098e-16
    H[14C]O3-       1.694e-16   1.550e-16   -15.771   -15.810    -0.039     (0)  
    [14C]O2         3.526e-17   3.532e-17   -16.453   -16.452     0.001     (0)  
    CaH[14C]O3+     3.578e-18   3.282e-18   -17.446   -17.484    -0.037     (0)  
-   H[14C]O2[18O]-   3.381e-19   3.093e-19   -18.471   -18.510    -0.039     (0)  
-   H[14C]O[18O]O-   3.381e-19   3.093e-19   -18.471   -18.510    -0.039     (0)  
    H[14C][18O]O2-   3.381e-19   3.093e-19   -18.471   -18.510    -0.039     (0)  
+   H[14C]O[18O]O-   3.381e-19   3.093e-19   -18.471   -18.510    -0.039     (0)  
+   H[14C]O2[18O]-   3.381e-19   3.093e-19   -18.471   -18.510    -0.039     (0)  
    Ca[14C]O3       1.962e-19   1.965e-19   -18.707   -18.707     0.001     (0)  
    [14C]O[18O]     1.466e-19   1.469e-19   -18.834   -18.833     0.001     (0)  
    [14C]O3-2       1.006e-19   7.049e-20   -18.997   -19.152    -0.155     (0)  
    CaH[14C]O2[18O]+   7.139e-21   6.549e-21   -20.146   -20.184    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.139e-21   6.549e-21   -20.146   -20.184    -0.037     (0)  
    CaH[14C][18O]O2+   7.139e-21   6.549e-21   -20.146   -20.184    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.139e-21   6.549e-21   -20.146   -20.184    -0.037     (0)  
    Ca[14C]O2[18O]   1.174e-21   1.176e-21   -20.930   -20.930     0.001     (0)  
    H[14C]O[18O]2-   6.745e-22   6.171e-22   -21.171   -21.210    -0.039     (0)  
    H[14C][18O]2O-   6.745e-22   6.171e-22   -21.171   -21.210    -0.039     (0)  
@@ -11544,29 +11550,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.911   -67.910     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.912   -70.911     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.488   -67.487     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.489   -70.488     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.85    -21.71   -2.86  [13C]H4
+  [13C]H4(g)      -19.69    -22.55   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.35    -21.85   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.34    -33.20   -2.86  [14C]H4
+  [14C]H4(g)      -31.19    -34.05   -2.86  [14C]H4
   [14C]O2(g)      -14.98    -16.45   -1.47  [14C]O2
   [14C]O[18O](g)  -17.36    -19.15   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.62    -70.91   -2.29  [18O]2
+  [18O]2(g)       -68.20    -70.49   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -11580,14 +11586,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.89    -19.75   -2.86  CH4
+  CH4(g)          -17.74    -20.60   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.29    -13.44   -3.15  H2
+  H2(g)           -10.50    -13.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.62    -65.51   -2.89  O2
-  O[18O](g)       -65.32    -68.21   -2.89  O[18O]
+  O2(g)           -62.20    -65.09   -2.89  O2
+  O[18O](g)       -64.90    -67.79   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -11611,12 +11617,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 48.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -11702,14 +11702,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6611e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.719e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.5527e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.7732e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.8866e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -7.5495e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -11727,16 +11727,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.895      Adjusted to redox equilibrium
+                                       pe  =  -1.898      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  65 (166 overall)
+                               Iterations  =  62
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -11748,14 +11748,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.432e-20
-   CH4             4.432e-20   4.439e-20   -19.353   -19.353     0.001     (0)  
+C(-4)         4.671e-20
+   CH4             4.671e-20   4.679e-20   -19.331   -19.330     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -11764,9 +11764,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -11774,23 +11774,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.213e-14
-   H2              4.607e-14   4.614e-14   -13.337   -13.336     0.001     (0)  
+H(0)          9.335e-14
+   H2              4.668e-14   4.675e-14   -13.331   -13.330     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.711   -65.710     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.110   -68.109     0.001     (0)  
-[13C](-4)     4.910e-22
-   [13C]H4         4.910e-22   4.918e-22   -21.309   -21.308     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.722   -65.721     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.121   -68.120     0.001     (0)  
+[13C](-4)     5.175e-22
+   [13C]H4         5.175e-22   5.184e-22   -21.286   -21.285     0.001     (0)  
 [13C](4)      6.516e-05
    H[13C]O3-       5.256e-05   4.808e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.587e-08   4.595e-08    -7.338    -7.338     0.001     (0)  
@@ -11799,56 +11799,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.214e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.647e-10   3.653e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.883    -0.155     (0)  
-[14C](-4)     1.446e-33
-   [14C]H4         1.446e-33   1.448e-33   -32.840   -32.839     0.001     (0)  
+[14C](-4)     1.524e-33
+   [14C]H4         1.524e-33   1.526e-33   -32.817   -32.816     0.001     (0)  
 [14C](4)      1.932e-16
    H[14C]O3-       1.561e-16   1.428e-16   -15.807   -15.845    -0.039     (0)  
    [14C]O2         3.248e-17   3.253e-17   -16.488   -16.488     0.001     (0)  
    CaH[14C]O3+     3.296e-18   3.024e-18   -17.482   -17.519    -0.037     (0)  
-   H[14C]O2[18O]-   3.114e-19   2.849e-19   -18.507   -18.545    -0.039     (0)  
-   H[14C]O[18O]O-   3.114e-19   2.849e-19   -18.507   -18.545    -0.039     (0)  
    H[14C][18O]O2-   3.114e-19   2.849e-19   -18.507   -18.545    -0.039     (0)  
+   H[14C]O[18O]O-   3.114e-19   2.849e-19   -18.507   -18.545    -0.039     (0)  
+   H[14C]O2[18O]-   3.114e-19   2.849e-19   -18.507   -18.545    -0.039     (0)  
    Ca[14C]O3       1.807e-19   1.810e-19   -18.743   -18.742     0.001     (0)  
    [14C]O[18O]     1.351e-19   1.353e-19   -18.869   -18.869     0.001     (0)  
    [14C]O3-2       9.270e-20   6.494e-20   -19.033   -19.187    -0.155     (0)  
    CaH[14C]O2[18O]+   6.577e-21   6.033e-21   -20.182   -20.219    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.577e-21   6.033e-21   -20.182   -20.219    -0.037     (0)  
    CaH[14C][18O]O2+   6.577e-21   6.033e-21   -20.182   -20.219    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.577e-21   6.033e-21   -20.182   -20.219    -0.037     (0)  
    Ca[14C]O2[18O]   1.082e-21   1.083e-21   -20.966   -20.965     0.001     (0)  
-   H[14C]O[18O]2-   6.214e-22   5.685e-22   -21.207   -21.245    -0.039     (0)  
    H[14C][18O]2O-   6.214e-22   5.685e-22   -21.207   -21.245    -0.039     (0)  
    H[14C][18O]O[18O]-   6.214e-22   5.685e-22   -21.207   -21.245    -0.039     (0)  
+   H[14C]O[18O]2-   6.214e-22   5.685e-22   -21.207   -21.245    -0.039     (0)  
    [14C]O2[18O]-2   5.549e-22   3.887e-22   -21.256   -21.410    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.110   -68.109     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.111   -71.110     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.121   -68.120     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.122   -71.121     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.45    -21.31   -2.86  [13C]H4
+  [13C]H4(g)      -18.43    -21.29   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.38    -21.89   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.98    -32.84   -2.86  [14C]H4
+  [14C]H4(g)      -29.96    -32.82   -2.86  [14C]H4
   [14C]O2(g)      -15.02    -16.49   -1.47  [14C]O2
   [14C]O[18O](g)  -17.40    -19.19   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.82    -71.11   -2.29  [18O]2
+  [18O]2(g)       -68.83    -71.12   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -11862,14 +11862,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.49    -19.35   -2.86  CH4
+  CH4(g)          -16.47    -19.33   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.19    -13.34   -3.15  H2
+  H2(g)           -10.18    -13.33   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.82    -65.71   -2.89  O2
-  O[18O](g)       -65.52    -68.41   -2.89  O[18O]
+  O2(g)           -62.83    -65.72   -2.89  O2
+  O[18O](g)       -65.53    -68.42   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -11893,6 +11893,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 49.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -11978,14 +11984,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.8272e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7465e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.6209e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    6.2172e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -12003,16 +12009,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.930      Adjusted to redox equilibrium
+                                       pe  =  -1.856      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  62
+                               Iterations  = 120 (221 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -12024,25 +12030,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         8.431e-20
-   CH4             8.431e-20   8.445e-20   -19.074   -19.073     0.001     (0)  
+C(-4)         2.172e-20
+   CH4             2.172e-20   2.176e-20   -19.663   -19.662     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -12050,81 +12056,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.082e-13
-   H2              5.410e-14   5.419e-14   -13.267   -13.266     0.001     (0)  
+H(0)          7.709e-14
+   H2              3.854e-14   3.861e-14   -13.414   -13.413     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.850   -65.850     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.249   -68.249     0.001     (0)  
-[13C](-4)     9.341e-22
-   [13C]H4         9.341e-22   9.356e-22   -21.030   -21.029     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.556   -65.555     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.955   -67.954     0.001     (0)  
+[13C](-4)     2.407e-22
+   [13C]H4         2.407e-22   2.411e-22   -21.619   -21.618     0.001     (0)  
 [13C](4)      6.516e-05
    H[13C]O3-       5.256e-05   4.809e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.594e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.093e-08   6.103e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.587e-08   4.595e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.031e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.647e-10   3.653e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.533e-33
-   [14C]H4         2.533e-33   2.538e-33   -32.596   -32.596     0.001     (0)  
+[14C](-4)     6.528e-34
+   [14C]H4         6.528e-34   6.538e-34   -33.185   -33.185     0.001     (0)  
 [14C](4)      1.780e-16
    H[14C]O3-       1.438e-16   1.316e-16   -15.842   -15.881    -0.039     (0)  
    [14C]O2         2.992e-17   2.997e-17   -16.524   -16.523     0.001     (0)  
    CaH[14C]O3+     3.037e-18   2.786e-18   -17.518   -17.555    -0.037     (0)  
-   H[14C]O2[18O]-   2.869e-19   2.625e-19   -18.542   -18.581    -0.039     (0)  
-   H[14C]O[18O]O-   2.869e-19   2.625e-19   -18.542   -18.581    -0.039     (0)  
    H[14C][18O]O2-   2.869e-19   2.625e-19   -18.542   -18.581    -0.039     (0)  
+   H[14C]O[18O]O-   2.869e-19   2.625e-19   -18.542   -18.581    -0.039     (0)  
+   H[14C]O2[18O]-   2.869e-19   2.625e-19   -18.542   -18.581    -0.039     (0)  
    Ca[14C]O3       1.665e-19   1.667e-19   -18.779   -18.778     0.001     (0)  
    [14C]O[18O]     1.244e-19   1.246e-19   -18.905   -18.904     0.001     (0)  
    [14C]O3-2       8.540e-20   5.982e-20   -19.069   -19.223    -0.155     (0)  
    CaH[14C]O2[18O]+   6.059e-21   5.558e-21   -20.218   -20.255    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.059e-21   5.558e-21   -20.218   -20.255    -0.037     (0)  
    CaH[14C][18O]O2+   6.059e-21   5.558e-21   -20.218   -20.255    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.059e-21   5.558e-21   -20.218   -20.255    -0.037     (0)  
    Ca[14C]O2[18O]   9.964e-22   9.981e-22   -21.002   -21.001     0.001     (0)  
+   H[14C][18O]O[18O]-   5.724e-22   5.237e-22   -21.242   -21.281    -0.039     (0)  
    H[14C]O[18O]2-   5.724e-22   5.237e-22   -21.242   -21.281    -0.039     (0)  
    H[14C][18O]2O-   5.724e-22   5.237e-22   -21.242   -21.281    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.724e-22   5.237e-22   -21.242   -21.281    -0.039     (0)  
    [14C]O2[18O]-2   5.111e-22   3.581e-22   -21.291   -21.446    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.249   -68.249     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.250   -71.250     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.955   -67.954     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.956   -70.955     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.17    -21.03   -2.86  [13C]H4
+  [13C]H4(g)      -18.76    -21.62   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.42    -21.92   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.74    -32.60   -2.86  [14C]H4
+  [14C]H4(g)      -30.32    -33.18   -2.86  [14C]H4
   [14C]O2(g)      -15.05    -16.52   -1.47  [14C]O2
   [14C]O[18O](g)  -17.44    -19.22   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.96    -71.25   -2.29  [18O]2
+  [18O]2(g)       -68.66    -70.96   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -12138,14 +12144,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.21    -19.07   -2.86  CH4
+  CH4(g)          -16.80    -19.66   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.12    -13.27   -3.15  H2
+  H2(g)           -10.26    -13.41   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.96    -65.85   -2.89  O2
-  O[18O](g)       -65.66    -68.55   -2.89  O[18O]
+  O2(g)           -62.66    -65.56   -2.89  O2
+  O[18O](g)       -65.36    -68.26   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -12254,14 +12260,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6657e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7226e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.4544e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.6542e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    6.2172e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -12279,16 +12285,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.851      Adjusted to redox equilibrium
+                                       pe  =  -1.653      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  51
+                               Iterations  =  84
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -12300,15 +12306,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.973e-20
-   CH4             1.973e-20   1.976e-20   -19.705   -19.704     0.001     (0)  
+C(-4)         5.161e-22
+   CH4             5.161e-22   5.170e-22   -21.287   -21.287     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -12316,9 +12322,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -12326,50 +12332,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.526e-14
-   H2              3.763e-14   3.769e-14   -13.424   -13.424     0.001     (0)  
+H(0)          3.027e-14
+   H2              1.513e-14   1.516e-14   -13.820   -13.819     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.535   -65.534     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.934   -67.933     0.001     (0)  
-[13C](-4)     2.186e-22
-   [13C]H4         2.186e-22   2.189e-22   -21.660   -21.660     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.744   -64.743     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.143   -67.142     0.001     (0)  
+[13C](-4)     5.718e-24
+   [13C]H4         5.718e-24   5.728e-24   -23.243   -23.242     0.001     (0)  
 [13C](4)      6.517e-05
    H[13C]O3-       5.256e-05   4.809e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.595e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.647e-10   3.653e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.092e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     5.461e-34
-   [14C]H4         5.461e-34   5.470e-34   -33.263   -33.262     0.001     (0)  
+[14C](-4)     1.429e-35
+   [14C]H4         1.429e-35   1.431e-35   -34.845   -34.844     0.001     (0)  
 [14C](4)      1.640e-16
    H[14C]O3-       1.325e-16   1.212e-16   -15.878   -15.917    -0.039     (0)  
    [14C]O2         2.757e-17   2.761e-17   -16.560   -16.559     0.001     (0)  
    CaH[14C]O3+     2.797e-18   2.566e-18   -17.553   -17.591    -0.037     (0)  
-   H[14C]O2[18O]-   2.643e-19   2.418e-19   -18.578   -18.617    -0.039     (0)  
-   H[14C]O[18O]O-   2.643e-19   2.418e-19   -18.578   -18.617    -0.039     (0)  
    H[14C][18O]O2-   2.643e-19   2.418e-19   -18.578   -18.617    -0.039     (0)  
+   H[14C]O[18O]O-   2.643e-19   2.418e-19   -18.578   -18.617    -0.039     (0)  
+   H[14C]O2[18O]-   2.643e-19   2.418e-19   -18.578   -18.617    -0.039     (0)  
    Ca[14C]O3       1.534e-19   1.536e-19   -18.814   -18.814     0.001     (0)  
    [14C]O[18O]     1.146e-19   1.148e-19   -18.941   -18.940     0.001     (0)  
    [14C]O3-2       7.867e-20   5.511e-20   -19.104   -19.259    -0.155     (0)  
    CaH[14C]O2[18O]+   5.581e-21   5.120e-21   -20.253   -20.291    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.581e-21   5.120e-21   -20.253   -20.291    -0.037     (0)  
    CaH[14C][18O]O2+   5.581e-21   5.120e-21   -20.253   -20.291    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.581e-21   5.120e-21   -20.253   -20.291    -0.037     (0)  
    Ca[14C]O2[18O]   9.179e-22   9.194e-22   -21.037   -21.036     0.001     (0)  
    H[14C]O[18O]2-   5.274e-22   4.825e-22   -21.278   -21.317    -0.039     (0)  
    H[14C][18O]2O-   5.274e-22   4.825e-22   -21.278   -21.317    -0.039     (0)  
@@ -12378,29 +12384,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.934   -67.933     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.935   -70.934     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.143   -67.142     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.144   -70.143     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.80    -21.66   -2.86  [13C]H4
+  [13C]H4(g)      -20.38    -23.24   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.46    -21.96   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.40    -33.26   -2.86  [14C]H4
+  [14C]H4(g)      -31.98    -34.84   -2.86  [14C]H4
   [14C]O2(g)      -15.09    -16.56   -1.47  [14C]O2
   [14C]O[18O](g)  -17.47    -19.26   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.64    -70.93   -2.29  [18O]2
+  [18O]2(g)       -67.85    -70.14   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -12414,14 +12420,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.84    -19.70   -2.86  CH4
+  CH4(g)          -18.43    -21.29   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.27    -13.42   -3.15  H2
+  H2(g)           -10.67    -13.82   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.64    -65.53   -2.89  O2
-  O[18O](g)       -65.34    -68.23   -2.89  O[18O]
+  O2(g)           -61.85    -64.74   -2.89  O2
+  O[18O](g)       -64.55    -67.44   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -12445,6 +12451,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 51.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -12530,14 +12542,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6761e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7342e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -2.3315e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.0325e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1     1.954e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.3323e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -12555,16 +12567,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.884      Adjusted to redox equilibrium
+                                       pe  =  -1.729      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  53
+                               Iterations  = 130 (231 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -12576,25 +12588,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.605e-20
-   CH4             3.605e-20   3.610e-20   -19.443   -19.442     0.001     (0)  
+C(-4)         2.072e-21
+   CH4             2.072e-21   2.075e-21   -20.684   -20.683     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -12602,23 +12614,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.749e-14
-   H2              4.375e-14   4.382e-14   -13.359   -13.358     0.001     (0)  
+H(0)          4.284e-14
+   H2              2.142e-14   2.146e-14   -13.669   -13.668     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.666   -65.665     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.065   -68.064     0.001     (0)  
-[13C](-4)     3.994e-22
-   [13C]H4         3.994e-22   4.000e-22   -21.399   -21.398     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.046   -65.045     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.445   -67.444     0.001     (0)  
+[13C](-4)     2.296e-23
+   [13C]H4         2.296e-23   2.299e-23   -22.639   -22.638     0.001     (0)  
 [13C](4)      6.517e-05
    H[13C]O3-       5.257e-05   4.809e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.595e-08    -7.338    -7.338     0.001     (0)  
@@ -12627,56 +12639,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     9.192e-34
-   [14C]H4         9.192e-34   9.207e-34   -33.037   -33.036     0.001     (0)  
+[14C](-4)     5.284e-35
+   [14C]H4         5.284e-35   5.293e-35   -34.277   -34.276     0.001     (0)  
 [14C](4)      1.511e-16
    H[14C]O3-       1.220e-16   1.117e-16   -15.913   -15.952    -0.039     (0)  
    [14C]O2         2.539e-17   2.544e-17   -16.595   -16.595     0.001     (0)  
    CaH[14C]O3+     2.577e-18   2.364e-18   -17.589   -17.626    -0.037     (0)  
-   H[14C]O2[18O]-   2.435e-19   2.228e-19   -18.614   -18.652    -0.039     (0)  
-   H[14C]O[18O]O-   2.435e-19   2.228e-19   -18.614   -18.652    -0.039     (0)  
    H[14C][18O]O2-   2.435e-19   2.228e-19   -18.614   -18.652    -0.039     (0)  
+   H[14C]O[18O]O-   2.435e-19   2.228e-19   -18.614   -18.652    -0.039     (0)  
+   H[14C]O2[18O]-   2.435e-19   2.228e-19   -18.614   -18.652    -0.039     (0)  
    Ca[14C]O3       1.413e-19   1.415e-19   -18.850   -18.849     0.001     (0)  
    [14C]O[18O]     1.056e-19   1.058e-19   -18.976   -18.976     0.001     (0)  
    [14C]O3-2       7.247e-20   5.077e-20   -19.140   -19.294    -0.155     (0)  
    CaH[14C]O2[18O]+   5.142e-21   4.717e-21   -20.289   -20.326    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.142e-21   4.717e-21   -20.289   -20.326    -0.037     (0)  
    CaH[14C][18O]O2+   5.142e-21   4.717e-21   -20.289   -20.326    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.142e-21   4.717e-21   -20.289   -20.326    -0.037     (0)  
    Ca[14C]O2[18O]   8.456e-22   8.470e-22   -21.073   -21.072     0.001     (0)  
-   H[14C]O[18O]2-   4.858e-22   4.445e-22   -21.314   -21.352    -0.039     (0)  
    H[14C][18O]2O-   4.858e-22   4.445e-22   -21.314   -21.352    -0.039     (0)  
    H[14C][18O]O[18O]-   4.858e-22   4.445e-22   -21.314   -21.352    -0.039     (0)  
+   H[14C]O[18O]2-   4.858e-22   4.445e-22   -21.314   -21.352    -0.039     (0)  
    [14C]O2[18O]-2   4.338e-22   3.039e-22   -21.363   -21.517    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.065   -68.064     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.066   -71.065     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.445   -67.444     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.446   -70.445     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.54    -21.40   -2.86  [13C]H4
+  [13C]H4(g)      -19.78    -22.64   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.49    -21.99   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.18    -33.04   -2.86  [14C]H4
+  [14C]H4(g)      -31.42    -34.28   -2.86  [14C]H4
   [14C]O2(g)      -15.13    -16.59   -1.47  [14C]O2
   [14C]O[18O](g)  -17.51    -19.29   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.77    -71.07   -2.29  [18O]2
+  [18O]2(g)       -68.15    -70.44   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -12690,14 +12702,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.58    -19.44   -2.86  CH4
+  CH4(g)          -17.82    -20.68   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.21    -13.36   -3.15  H2
+  H2(g)           -10.52    -13.67   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.77    -65.67   -2.89  O2
-  O[18O](g)       -65.47    -68.37   -2.89  O[18O]
+  O2(g)           -62.15    -65.04   -2.89  O2
+  O[18O](g)       -64.85    -67.74   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -12721,6 +12733,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 52.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -12806,14 +12824,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6332e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7574e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    6.8834e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    9.1038e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.8866e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -7.4385e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -12831,16 +12849,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.808      Adjusted to redox equilibrium
+                                       pe  =  -1.658      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  91
+                               Iterations  =  69 (170 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -12852,15 +12870,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         9.033e-21
-   CH4             9.033e-21   9.048e-21   -20.044   -20.043     0.001     (0)  
+C(-4)         5.618e-22
+   CH4             5.618e-22   5.628e-22   -21.250   -21.250     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -12868,9 +12886,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -12878,81 +12896,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.190e-14
-   H2              3.095e-14   3.100e-14   -13.509   -13.509     0.001     (0)  
+H(0)          3.091e-14
+   H2              1.546e-14   1.548e-14   -13.811   -13.810     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.365   -65.365     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.764   -67.764     0.001     (0)  
-[13C](-4)     1.001e-22
-   [13C]H4         1.001e-22   1.002e-22   -22.000   -21.999     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.762   -64.761     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.161   -67.160     0.001     (0)  
+[13C](-4)     6.225e-24
+   [13C]H4         6.225e-24   6.235e-24   -23.206   -23.205     0.001     (0)  
 [13C](4)      6.517e-05
    H[13C]O3-       5.257e-05   4.809e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.595e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.914e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.122e-34
-   [14C]H4         2.122e-34   2.126e-34   -33.673   -33.673     0.001     (0)  
+[14C](-4)     1.320e-35
+   [14C]H4         1.320e-35   1.322e-35   -34.879   -34.879     0.001     (0)  
 [14C](4)      1.392e-16
    H[14C]O3-       1.124e-16   1.029e-16   -15.949   -15.988    -0.039     (0)  
    [14C]O2         2.339e-17   2.343e-17   -16.631   -16.630     0.001     (0)  
    CaH[14C]O3+     2.374e-18   2.178e-18   -17.625   -17.662    -0.037     (0)  
-   H[14C]O2[18O]-   2.243e-19   2.052e-19   -18.649   -18.688    -0.039     (0)  
-   H[14C]O[18O]O-   2.243e-19   2.052e-19   -18.649   -18.688    -0.039     (0)  
    H[14C][18O]O2-   2.243e-19   2.052e-19   -18.649   -18.688    -0.039     (0)  
+   H[14C]O[18O]O-   2.243e-19   2.052e-19   -18.649   -18.688    -0.039     (0)  
+   H[14C]O2[18O]-   2.243e-19   2.052e-19   -18.649   -18.688    -0.039     (0)  
    Ca[14C]O3       1.301e-19   1.304e-19   -18.886   -18.885     0.001     (0)  
    [14C]O[18O]     9.728e-20   9.744e-20   -19.012   -19.011     0.001     (0)  
    [14C]O3-2       6.676e-20   4.677e-20   -19.175   -19.330    -0.155     (0)  
    CaH[14C]O2[18O]+   4.737e-21   4.345e-21   -20.325   -20.362    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.737e-21   4.345e-21   -20.325   -20.362    -0.037     (0)  
    CaH[14C][18O]O2+   4.737e-21   4.345e-21   -20.325   -20.362    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.737e-21   4.345e-21   -20.325   -20.362    -0.037     (0)  
    Ca[14C]O2[18O]   7.790e-22   7.803e-22   -21.108   -21.108     0.001     (0)  
+   H[14C][18O]O[18O]-   4.475e-22   4.094e-22   -21.349   -21.388    -0.039     (0)  
    H[14C]O[18O]2-   4.475e-22   4.094e-22   -21.349   -21.388    -0.039     (0)  
    H[14C][18O]2O-   4.475e-22   4.094e-22   -21.349   -21.388    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.475e-22   4.094e-22   -21.349   -21.388    -0.039     (0)  
    [14C]O2[18O]-2   3.996e-22   2.800e-22   -21.398   -21.553    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.764   -67.764     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.765   -70.765     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.161   -67.160     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.162   -70.161     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.14    -22.00   -2.86  [13C]H4
+  [13C]H4(g)      -20.35    -23.21   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.53    -22.03   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.81    -33.67   -2.86  [14C]H4
+  [14C]H4(g)      -32.02    -34.88   -2.86  [14C]H4
   [14C]O2(g)      -15.16    -16.63   -1.47  [14C]O2
   [14C]O[18O](g)  -17.54    -19.33   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.47    -70.76   -2.29  [18O]2
+  [18O]2(g)       -67.87    -70.16   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -12966,14 +12984,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.18    -20.04   -2.86  CH4
+  CH4(g)          -18.39    -21.25   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.36    -13.51   -3.15  H2
+  H2(g)           -10.66    -13.81   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.47    -65.36   -2.89  O2
-  O[18O](g)       -65.17    -68.06   -2.89  O[18O]
+  O2(g)           -61.87    -64.76   -2.89  O2
+  O[18O](g)       -64.57    -67.46   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -12997,12 +13015,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 53.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -13088,14 +13100,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.8842e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.4409e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5992e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5854e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -4.996e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1102e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    5.3291e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    -5.107e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -13113,16 +13125,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.821      Adjusted to redox equilibrium
+                                       pe  =  -1.323      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 102 (203 overall)
+                               Iterations  =  65
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -13134,25 +13146,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.138e-20
-   CH4             1.138e-20   1.140e-20   -19.944   -19.943     0.001     (0)  
+C(-4)         1.189e-24
+   CH4             1.189e-24   1.191e-24   -23.925   -23.924     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -13160,50 +13172,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.559e-14
-   H2              3.279e-14   3.285e-14   -13.484   -13.484     0.001     (0)  
+H(0)          6.630e-15
+   H2              3.315e-15   3.321e-15   -14.480   -14.479     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.415   -65.415     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.814   -67.814     0.001     (0)  
-[13C](-4)     1.261e-22
-   [13C]H4         1.261e-22   1.263e-22   -21.899   -21.899     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -63.425   -63.424     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -65.824   -65.823     0.001     (0)  
+[13C](-4)     1.317e-26
+   [13C]H4         1.317e-26   1.319e-26   -25.880   -25.880     0.001     (0)  
 [13C](4)      6.517e-05
    H[13C]O3-       5.257e-05   4.809e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.094e-08   6.104e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.463e-34
-   [14C]H4         2.463e-34   2.467e-34   -33.609   -33.608     0.001     (0)  
+[14C](-4)     2.572e-38
+   [14C]H4         2.572e-38   2.577e-38   -37.590   -37.589     0.001     (0)  
 [14C](4)      1.282e-16
    H[14C]O3-       1.036e-16   9.475e-17   -15.985   -16.023    -0.039     (0)  
    [14C]O2         2.155e-17   2.159e-17   -16.667   -16.666     0.001     (0)  
    CaH[14C]O3+     2.187e-18   2.006e-18   -17.660   -17.698    -0.037     (0)  
-   H[14C]O2[18O]-   2.066e-19   1.891e-19   -18.685   -18.723    -0.039     (0)  
-   H[14C]O[18O]O-   2.066e-19   1.891e-19   -18.685   -18.723    -0.039     (0)  
    H[14C][18O]O2-   2.066e-19   1.891e-19   -18.685   -18.723    -0.039     (0)  
+   H[14C]O[18O]O-   2.066e-19   1.891e-19   -18.685   -18.723    -0.039     (0)  
+   H[14C]O2[18O]-   2.066e-19   1.891e-19   -18.685   -18.723    -0.039     (0)  
    Ca[14C]O3       1.199e-19   1.201e-19   -18.921   -18.920     0.001     (0)  
    [14C]O[18O]     8.962e-20   8.976e-20   -19.048   -19.047     0.001     (0)  
    [14C]O3-2       6.150e-20   4.309e-20   -19.211   -19.366    -0.155     (0)  
    CaH[14C]O2[18O]+   4.364e-21   4.003e-21   -20.360   -20.398    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.364e-21   4.003e-21   -20.360   -20.398    -0.037     (0)  
    CaH[14C][18O]O2+   4.364e-21   4.003e-21   -20.360   -20.398    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.364e-21   4.003e-21   -20.360   -20.398    -0.037     (0)  
    Ca[14C]O2[18O]   7.176e-22   7.188e-22   -21.144   -21.143     0.001     (0)  
    H[14C]O[18O]2-   4.123e-22   3.772e-22   -21.385   -21.423    -0.039     (0)  
    H[14C][18O]2O-   4.123e-22   3.772e-22   -21.385   -21.423    -0.039     (0)  
@@ -13212,29 +13224,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.814   -67.814     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.815   -70.815     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -65.824   -65.823     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -68.825   -68.824     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -19.04    -21.90   -2.86  [13C]H4
+  [13C]H4(g)      -23.02    -25.88   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.56    -22.07   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.75    -33.61   -2.86  [14C]H4
+  [14C]H4(g)      -34.73    -37.59   -2.86  [14C]H4
   [14C]O2(g)      -15.20    -16.67   -1.47  [14C]O2
   [14C]O[18O](g)  -17.58    -19.37   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.52    -70.81   -2.29  [18O]2
+  [18O]2(g)       -66.53    -68.82   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -13248,14 +13260,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -17.08    -19.94   -2.86  CH4
+  CH4(g)          -21.06    -23.92   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.33    -13.48   -3.15  H2
+  H2(g)           -11.33    -14.48   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.52    -65.41   -2.89  O2
-  O[18O](g)       -65.22    -68.11   -2.89  O[18O]
+  O2(g)           -60.53    -63.42   -2.89  O2
+  O[18O](g)       -63.23    -66.12   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -13279,6 +13291,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 54.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -13364,14 +13382,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7167e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.57e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    8.8818e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.2212e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -2.2204e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -13389,16 +13407,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.862      Adjusted to redox equilibrium
+                                       pe  =  -1.682      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  98
+                               Iterations  =  57 (158 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -13410,14 +13428,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.418e-20
-   CH4             2.418e-20   2.422e-20   -19.617   -19.616     0.001     (0)  
+C(-4)         8.730e-22
+   CH4             8.730e-22   8.745e-22   -21.059   -21.058     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -13426,9 +13444,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -13436,23 +13454,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.918e-14
-   H2              3.959e-14   3.966e-14   -13.402   -13.402     0.001     (0)  
+H(0)          3.452e-14
+   H2              1.726e-14   1.729e-14   -13.763   -13.762     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.579   -65.578     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -67.978   -67.977     0.001     (0)  
-[13C](-4)     2.679e-22
-   [13C]H4         2.679e-22   2.684e-22   -21.572   -21.571     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.858   -64.857     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.257   -67.256     0.001     (0)  
+[13C](-4)     9.674e-24
+   [13C]H4         9.674e-24   9.690e-24   -23.014   -23.014     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.257e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
@@ -13461,56 +13479,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     4.821e-34
-   [14C]H4         4.821e-34   4.829e-34   -33.317   -33.316     0.001     (0)  
+[14C](-4)     1.741e-35
+   [14C]H4         1.741e-35   1.743e-35   -34.759   -34.759     0.001     (0)  
 [14C](4)      1.181e-16
    H[14C]O3-       9.541e-17   8.729e-17   -16.020   -16.059    -0.039     (0)  
    [14C]O2         1.985e-17   1.989e-17   -16.702   -16.701     0.001     (0)  
    CaH[14C]O3+     2.015e-18   1.848e-18   -17.696   -17.733    -0.037     (0)  
-   H[14C]O2[18O]-   1.904e-19   1.742e-19   -18.720   -18.759    -0.039     (0)  
-   H[14C]O[18O]O-   1.904e-19   1.742e-19   -18.720   -18.759    -0.039     (0)  
    H[14C][18O]O2-   1.904e-19   1.742e-19   -18.720   -18.759    -0.039     (0)  
+   H[14C]O[18O]O-   1.904e-19   1.742e-19   -18.720   -18.759    -0.039     (0)  
+   H[14C]O2[18O]-   1.904e-19   1.742e-19   -18.720   -18.759    -0.039     (0)  
    Ca[14C]O3       1.105e-19   1.106e-19   -18.957   -18.956     0.001     (0)  
    [14C]O[18O]     8.256e-20   8.269e-20   -19.083   -19.083     0.001     (0)  
    [14C]O3-2       5.666e-20   3.969e-20   -19.247   -19.401    -0.155     (0)  
    CaH[14C]O2[18O]+   4.020e-21   3.688e-21   -20.396   -20.433    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.020e-21   3.688e-21   -20.396   -20.433    -0.037     (0)  
    CaH[14C][18O]O2+   4.020e-21   3.688e-21   -20.396   -20.433    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.020e-21   3.688e-21   -20.396   -20.433    -0.037     (0)  
    Ca[14C]O2[18O]   6.611e-22   6.622e-22   -21.180   -21.179     0.001     (0)  
-   H[14C]O[18O]2-   3.798e-22   3.475e-22   -21.420   -21.459    -0.039     (0)  
    H[14C][18O]2O-   3.798e-22   3.475e-22   -21.420   -21.459    -0.039     (0)  
    H[14C][18O]O[18O]-   3.798e-22   3.475e-22   -21.420   -21.459    -0.039     (0)  
+   H[14C]O[18O]2-   3.798e-22   3.475e-22   -21.420   -21.459    -0.039     (0)  
    [14C]O2[18O]-2   3.391e-22   2.376e-22   -21.470   -21.624    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -67.978   -67.977     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -70.979   -70.978     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.257   -67.256     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.258   -70.257     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.71    -21.57   -2.86  [13C]H4
+  [13C]H4(g)      -20.15    -23.01   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.60    -22.10   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.46    -33.32   -2.86  [14C]H4
+  [14C]H4(g)      -31.90    -34.76   -2.86  [14C]H4
   [14C]O2(g)      -15.23    -16.70   -1.47  [14C]O2
   [14C]O[18O](g)  -17.61    -19.40   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.69    -70.98   -2.29  [18O]2
+  [18O]2(g)       -67.97    -70.26   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -13524,14 +13542,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.76    -19.62   -2.86  CH4
+  CH4(g)          -18.20    -21.06   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.25    -13.40   -3.15  H2
+  H2(g)           -10.61    -13.76   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.69    -65.58   -2.89  O2
-  O[18O](g)       -65.39    -68.28   -2.89  O[18O]
+  O2(g)           -61.96    -64.86   -2.89  O2
+  O[18O](g)       -64.66    -67.56   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -13555,6 +13573,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 55.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -13640,14 +13664,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6732e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6622e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    -9.992e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1102e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -13665,16 +13689,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.893      Adjusted to redox equilibrium
+                                       pe  =  -1.671      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  96
+                               Iterations  =  90 (191 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -13686,25 +13710,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.323e-20
-   CH4             4.323e-20   4.330e-20   -19.364   -19.363     0.001     (0)  
+C(-4)         7.222e-22
+   CH4             7.222e-22   7.234e-22   -21.141   -21.141     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -13712,81 +13736,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.156e-14
-   H2              4.578e-14   4.586e-14   -13.339   -13.339     0.001     (0)  
+H(0)          3.292e-14
+   H2              1.646e-14   1.649e-14   -13.784   -13.783     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -65.705   -65.705     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.104   -68.104     0.001     (0)  
-[13C](-4)     4.791e-22
-   [13C]H4         4.791e-22   4.799e-22   -21.320   -21.319     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -64.817   -64.816     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.216   -67.215     0.001     (0)  
+[13C](-4)     8.003e-24
+   [13C]H4         8.003e-24   8.016e-24   -23.097   -23.096     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.257e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.596e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.588e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.126e-08   2.190e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     7.941e-34
-   [14C]H4         7.941e-34   7.954e-34   -33.100   -33.099     0.001     (0)  
+[14C](-4)     1.326e-35
+   [14C]H4         1.326e-35   1.329e-35   -34.877   -34.877     0.001     (0)  
 [14C](4)      1.088e-16
    H[14C]O3-       8.790e-17   8.041e-17   -16.056   -16.095    -0.039     (0)  
    [14C]O2         1.829e-17   1.832e-17   -16.738   -16.737     0.001     (0)  
    CaH[14C]O3+     1.856e-18   1.703e-18   -17.731   -17.769    -0.037     (0)  
-   H[14C]O2[18O]-   1.754e-19   1.604e-19   -18.756   -18.795    -0.039     (0)  
-   H[14C]O[18O]O-   1.754e-19   1.604e-19   -18.756   -18.795    -0.039     (0)  
    H[14C][18O]O2-   1.754e-19   1.604e-19   -18.756   -18.795    -0.039     (0)  
+   H[14C]O[18O]O-   1.754e-19   1.604e-19   -18.756   -18.795    -0.039     (0)  
+   H[14C]O2[18O]-   1.754e-19   1.604e-19   -18.756   -18.795    -0.039     (0)  
    Ca[14C]O3       1.018e-19   1.019e-19   -18.992   -18.992     0.001     (0)  
    [14C]O[18O]     7.605e-20   7.618e-20   -19.119   -19.118     0.001     (0)  
    [14C]O3-2       5.220e-20   3.657e-20   -19.282   -19.437    -0.155     (0)  
    CaH[14C]O2[18O]+   3.703e-21   3.397e-21   -20.431   -20.469    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.703e-21   3.397e-21   -20.431   -20.469    -0.037     (0)  
    CaH[14C][18O]O2+   3.703e-21   3.397e-21   -20.431   -20.469    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.703e-21   3.397e-21   -20.431   -20.469    -0.037     (0)  
    Ca[14C]O2[18O]   6.090e-22   6.100e-22   -21.215   -21.215     0.001     (0)  
+   H[14C][18O]O[18O]-   3.499e-22   3.201e-22   -21.456   -21.495    -0.039     (0)  
    H[14C]O[18O]2-   3.499e-22   3.201e-22   -21.456   -21.495    -0.039     (0)  
    H[14C][18O]2O-   3.499e-22   3.201e-22   -21.456   -21.495    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.499e-22   3.201e-22   -21.456   -21.495    -0.039     (0)  
    [14C]O2[18O]-2   3.124e-22   2.189e-22   -21.505   -21.660    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.104   -68.104     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.105   -71.105     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.216   -67.215     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.217   -70.216     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -18.46    -21.32   -2.86  [13C]H4
+  [13C]H4(g)      -20.24    -23.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.63    -22.14   -1.50  [14C][18O]2
-  [14C]H4(g)      -30.24    -33.10   -2.86  [14C]H4
+  [14C]H4(g)      -32.02    -34.88   -2.86  [14C]H4
   [14C]O2(g)      -15.27    -16.74   -1.47  [14C]O2
   [14C]O[18O](g)  -17.65    -19.44   -1.79  [14C]O[18O]
-  [18O]2(g)       -68.81    -71.10   -2.29  [18O]2
+  [18O]2(g)       -67.93    -70.22   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -13800,14 +13824,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -16.50    -19.36   -2.86  CH4
+  CH4(g)          -18.28    -21.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -10.19    -13.34   -3.15  H2
+  H2(g)           -10.63    -13.78   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -62.81    -65.70   -2.89  O2
-  O[18O](g)       -65.51    -68.40   -2.89  O[18O]
+  O2(g)           -61.92    -64.82   -2.89  O2
+  O[18O](g)       -64.62    -67.52   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -13831,6 +13855,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 56.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -13916,14 +13946,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6446e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7669e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -1.632e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.6431e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -13941,16 +13971,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -1.993      Adjusted to redox equilibrium
+                                       pe  =  -1.881      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  79
+                               Iterations  =  75 (176 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -13962,15 +13992,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.725e-19
-   CH4             2.725e-19   2.730e-19   -18.565   -18.564     0.001     (0)  
+C(-4)         3.469e-20
+   CH4             3.469e-20   3.475e-20   -19.460   -19.459     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -13978,9 +14008,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -13988,50 +14018,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.451e-13
-   H2              7.254e-14   7.266e-14   -13.139   -13.139     0.001     (0)  
+H(0)          8.666e-14
+   H2              4.333e-14   4.340e-14   -13.363   -13.362     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.105   -66.104     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.504   -68.503     0.001     (0)  
-[13C](-4)     3.020e-21
-   [13C]H4         3.020e-21   3.025e-21   -20.520   -20.519     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.657   -65.657     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.056   -68.056     0.001     (0)  
+[13C](-4)     3.844e-22
+   [13C]H4         3.844e-22   3.851e-22   -21.415   -21.414     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.257e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.190e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     4.611e-33
-   [14C]H4         4.611e-33   4.619e-33   -32.336   -32.335     0.001     (0)  
+[14C](-4)     5.870e-34
+   [14C]H4         5.870e-34   5.880e-34   -33.231   -33.231     0.001     (0)  
 [14C](4)      1.002e-16
    H[14C]O3-       8.097e-17   7.408e-17   -16.092   -16.130    -0.039     (0)  
    [14C]O2         1.685e-17   1.688e-17   -16.773   -16.773     0.001     (0)  
    CaH[14C]O3+     1.710e-18   1.569e-18   -17.767   -17.805    -0.037     (0)  
-   H[14C]O2[18O]-   1.616e-19   1.478e-19   -18.792   -18.830    -0.039     (0)  
-   H[14C]O[18O]O-   1.616e-19   1.478e-19   -18.792   -18.830    -0.039     (0)  
    H[14C][18O]O2-   1.616e-19   1.478e-19   -18.792   -18.830    -0.039     (0)  
+   H[14C]O[18O]O-   1.616e-19   1.478e-19   -18.792   -18.830    -0.039     (0)  
+   H[14C]O2[18O]-   1.616e-19   1.478e-19   -18.792   -18.830    -0.039     (0)  
    Ca[14C]O3       9.374e-20   9.389e-20   -19.028   -19.027     0.001     (0)  
    [14C]O[18O]     7.006e-20   7.018e-20   -19.155   -19.154     0.001     (0)  
    [14C]O3-2       4.808e-20   3.369e-20   -19.318   -19.473    -0.155     (0)  
    CaH[14C]O2[18O]+   3.412e-21   3.129e-21   -20.467   -20.505    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.412e-21   3.129e-21   -20.467   -20.505    -0.037     (0)  
    CaH[14C][18O]O2+   3.412e-21   3.129e-21   -20.467   -20.505    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.412e-21   3.129e-21   -20.467   -20.505    -0.037     (0)  
    Ca[14C]O2[18O]   5.611e-22   5.620e-22   -21.251   -21.250     0.001     (0)  
    H[14C]O[18O]2-   3.223e-22   2.949e-22   -21.492   -21.530    -0.039     (0)  
    H[14C][18O]2O-   3.223e-22   2.949e-22   -21.492   -21.530    -0.039     (0)  
@@ -14040,29 +14070,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.504   -68.503     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.505   -71.504     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.056   -68.056     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.058   -71.057     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -17.66    -20.52   -2.86  [13C]H4
+  [13C]H4(g)      -18.55    -21.41   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.67    -22.17   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.48    -32.34   -2.86  [14C]H4
+  [14C]H4(g)      -30.37    -33.23   -2.86  [14C]H4
   [14C]O2(g)      -15.30    -16.77   -1.47  [14C]O2
   [14C]O[18O](g)  -17.69    -19.47   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.21    -71.50   -2.29  [18O]2
+  [18O]2(g)       -68.77    -71.06   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -14076,14 +14106,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -15.70    -18.56   -2.86  CH4
+  CH4(g)          -16.60    -19.46   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.99    -13.14   -3.15  H2
+  H2(g)           -10.21    -13.36   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.21    -66.10   -2.89  O2
-  O[18O](g)       -65.91    -68.80   -2.89  O[18O]
+  O2(g)           -62.76    -65.66   -2.89  O2
+  O[18O](g)       -65.46    -68.36   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -14192,14 +14222,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5483e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5987e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.7764e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    3.7748e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -7.3275e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -14217,16 +14247,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.040      Adjusted to redox equilibrium
+                                       pe  =  -1.862      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  99
+                               Iterations  =  52
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -14238,25 +14268,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         6.455e-19
-   CH4             6.455e-19   6.466e-19   -18.190   -18.189     0.001     (0)  
+C(-4)         2.404e-20
+   CH4             2.404e-20   2.408e-20   -19.619   -19.618     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -14264,23 +14294,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.800e-13
-   H2              8.999e-14   9.014e-14   -13.046   -13.045     0.001     (0)  
+H(0)          7.907e-14
+   H2              3.953e-14   3.960e-14   -13.403   -13.402     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.292   -66.292     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -68.691   -68.691     0.001     (0)  
-[13C](-4)     7.154e-21
-   [13C]H4         7.154e-21   7.165e-21   -20.145   -20.145     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -65.578   -65.577     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.977   -67.976     0.001     (0)  
+[13C](-4)     2.664e-22
+   [13C]H4         2.664e-22   2.668e-22   -21.575   -21.574     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.103e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
@@ -14289,56 +14319,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.871e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.006e-32
-   [14C]H4         1.006e-32   1.008e-32   -31.997   -31.997     0.001     (0)  
+[14C](-4)     3.747e-34
+   [14C]H4         3.747e-34   3.753e-34   -33.426   -33.426     0.001     (0)  
 [14C](4)      9.234e-17
    H[14C]O3-       7.459e-17   6.824e-17   -16.127   -16.166    -0.039     (0)  
    [14C]O2         1.552e-17   1.555e-17   -16.809   -16.808     0.001     (0)  
    CaH[14C]O3+     1.575e-18   1.445e-18   -17.803   -17.840    -0.037     (0)  
-   H[14C]O2[18O]-   1.488e-19   1.362e-19   -18.827   -18.866    -0.039     (0)  
-   H[14C]O[18O]O-   1.488e-19   1.362e-19   -18.827   -18.866    -0.039     (0)  
    H[14C][18O]O2-   1.488e-19   1.362e-19   -18.827   -18.866    -0.039     (0)  
+   H[14C]O[18O]O-   1.488e-19   1.362e-19   -18.827   -18.866    -0.039     (0)  
+   H[14C]O2[18O]-   1.488e-19   1.362e-19   -18.827   -18.866    -0.039     (0)  
    Ca[14C]O3       8.635e-20   8.649e-20   -19.064   -19.063     0.001     (0)  
    [14C]O[18O]     6.454e-20   6.465e-20   -19.190   -19.189     0.001     (0)  
    [14C]O3-2       4.430e-20   3.103e-20   -19.354   -19.508    -0.155     (0)  
    CaH[14C]O2[18O]+   3.143e-21   2.883e-21   -20.503   -20.540    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.143e-21   2.883e-21   -20.503   -20.540    -0.037     (0)  
    CaH[14C][18O]O2+   3.143e-21   2.883e-21   -20.503   -20.540    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.143e-21   2.883e-21   -20.503   -20.540    -0.037     (0)  
    Ca[14C]O2[18O]   5.169e-22   5.177e-22   -21.287   -21.286     0.001     (0)  
-   H[14C]O[18O]2-   2.969e-22   2.717e-22   -21.527   -21.566    -0.039     (0)  
    H[14C][18O]2O-   2.969e-22   2.717e-22   -21.527   -21.566    -0.039     (0)  
    H[14C][18O]O[18O]-   2.969e-22   2.717e-22   -21.527   -21.566    -0.039     (0)  
+   H[14C]O[18O]2-   2.969e-22   2.717e-22   -21.527   -21.566    -0.039     (0)  
    [14C]O2[18O]-2   2.651e-22   1.857e-22   -21.577   -21.731    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -68.691   -68.691     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -71.692   -71.692     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -67.977   -67.976     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -70.978   -70.977     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -17.28    -20.14   -2.86  [13C]H4
+  [13C]H4(g)      -18.71    -21.57   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.70    -22.21   -1.50  [14C][18O]2
-  [14C]H4(g)      -29.14    -32.00   -2.86  [14C]H4
+  [14C]H4(g)      -30.57    -33.43   -2.86  [14C]H4
   [14C]O2(g)      -15.34    -16.81   -1.47  [14C]O2
   [14C]O[18O](g)  -17.72    -19.51   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.40    -71.69   -2.29  [18O]2
+  [18O]2(g)       -68.69    -70.98   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -14352,14 +14382,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -15.33    -18.19   -2.86  CH4
+  CH4(g)          -16.76    -19.62   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.90    -13.05   -3.15  H2
+  H2(g)           -10.25    -13.40   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.40    -66.29   -2.89  O2
-  O[18O](g)       -66.10    -68.99   -2.89  O[18O]
+  O2(g)           -62.68    -65.58   -2.89  O2
+  O[18O](g)       -65.38    -68.28   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -14383,6 +14413,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 58.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -14468,14 +14504,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5798e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5461e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -4.3299e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -8.3267e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1435e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.1102e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -14493,16 +14529,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.143      Adjusted to redox equilibrium
+                                       pe  =  -1.995      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  96
+                               Iterations  =  57 (158 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -14514,15 +14550,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.282e-18
-   CH4             4.282e-18   4.289e-18   -17.368   -17.368     0.001     (0)  
+C(-4)         2.793e-19
+   CH4             2.793e-19   2.798e-19   -18.554   -18.553     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -14530,9 +14566,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -14540,81 +14576,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          2.889e-13
-   H2              1.444e-13   1.447e-13   -12.840   -12.840     0.001     (0)  
+H(0)          1.460e-13
+   H2              7.299e-14   7.311e-14   -13.137   -13.136     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.703   -66.702     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.102   -69.101     0.001     (0)  
-[13C](-4)     4.746e-20
-   [13C]H4         4.746e-20   4.753e-20   -19.324   -19.323     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.110   -66.110     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.509   -68.509     0.001     (0)  
+[13C](-4)     3.095e-21
+   [13C]H4         3.095e-21   3.101e-21   -20.509   -20.509     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.957     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.190e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     6.149e-32
-   [14C]H4         6.149e-32   6.159e-32   -31.211   -31.210     0.001     (0)  
+[14C](-4)     4.011e-33
+   [14C]H4         4.011e-33   4.018e-33   -32.397   -32.396     0.001     (0)  
 [14C](4)      8.507e-17
    H[14C]O3-       6.872e-17   6.287e-17   -16.163   -16.202    -0.039     (0)  
    [14C]O2         1.430e-17   1.432e-17   -16.845   -16.844     0.001     (0)  
    CaH[14C]O3+     1.451e-18   1.331e-18   -17.838   -17.876    -0.037     (0)  
-   H[14C]O2[18O]-   1.371e-19   1.254e-19   -18.863   -18.902    -0.039     (0)  
-   H[14C]O[18O]O-   1.371e-19   1.254e-19   -18.863   -18.902    -0.039     (0)  
    H[14C][18O]O2-   1.371e-19   1.254e-19   -18.863   -18.902    -0.039     (0)  
+   H[14C]O[18O]O-   1.371e-19   1.254e-19   -18.863   -18.902    -0.039     (0)  
+   H[14C]O2[18O]-   1.371e-19   1.254e-19   -18.863   -18.902    -0.039     (0)  
    Ca[14C]O3       7.955e-20   7.968e-20   -19.099   -19.099     0.001     (0)  
    [14C]O[18O]     5.946e-20   5.956e-20   -19.226   -19.225     0.001     (0)  
    [14C]O3-2       4.081e-20   2.859e-20   -19.389   -19.544    -0.155     (0)  
    CaH[14C]O2[18O]+   2.895e-21   2.656e-21   -20.538   -20.576    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.895e-21   2.656e-21   -20.538   -20.576    -0.037     (0)  
    CaH[14C][18O]O2+   2.895e-21   2.656e-21   -20.538   -20.576    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.895e-21   2.656e-21   -20.538   -20.576    -0.037     (0)  
    Ca[14C]O2[18O]   4.762e-22   4.769e-22   -21.322   -21.322     0.001     (0)  
+   H[14C][18O]O[18O]-   2.736e-22   2.503e-22   -21.563   -21.602    -0.039     (0)  
    H[14C]O[18O]2-   2.736e-22   2.503e-22   -21.563   -21.602    -0.039     (0)  
    H[14C][18O]2O-   2.736e-22   2.503e-22   -21.563   -21.602    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.736e-22   2.503e-22   -21.563   -21.602    -0.039     (0)  
    [14C]O2[18O]-2   2.443e-22   1.711e-22   -21.612   -21.767    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.102   -69.101     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.103   -72.103     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.509   -68.509     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.510   -71.510     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -16.46    -19.32   -2.86  [13C]H4
+  [13C]H4(g)      -17.65    -20.51   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.74    -22.24   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.35    -31.21   -2.86  [14C]H4
+  [14C]H4(g)      -29.54    -32.40   -2.86  [14C]H4
   [14C]O2(g)      -15.38    -16.84   -1.47  [14C]O2
   [14C]O[18O](g)  -17.76    -19.54   -1.79  [14C]O[18O]
-  [18O]2(g)       -69.81    -72.10   -2.29  [18O]2
+  [18O]2(g)       -69.22    -71.51   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -14628,14 +14664,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -14.51    -17.37   -2.86  CH4
+  CH4(g)          -15.69    -18.55   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.69    -12.84   -3.15  H2
+  H2(g)            -9.99    -13.14   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -63.81    -66.70   -2.89  O2
-  O[18O](g)       -66.51    -69.40   -2.89  O[18O]
+  O2(g)           -63.22    -66.11   -2.89  O2
+  O[18O](g)       -65.92    -68.81   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -14659,12 +14695,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 59.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -14750,14 +14780,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    6.6613e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.9936e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6852e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6446e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    8.8818e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.5543e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1102e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -14775,16 +14805,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.193      Adjusted to redox equilibrium
+                                       pe  =  -2.042      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 113 (214 overall)
+                               Iterations  =  64
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -14796,25 +14826,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.078e-17
-   CH4             1.078e-17   1.080e-17   -16.967   -16.967     0.001     (0)  
+C(-4)         6.713e-19
+   CH4             6.713e-19   6.724e-19   -18.173   -18.172     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -14822,50 +14852,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.639e-13
-   H2              1.819e-13   1.822e-13   -12.740   -12.739     0.001     (0)  
+H(0)          1.818e-13
+   H2              9.088e-14   9.103e-14   -13.042   -13.041     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.904   -66.903     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.303   -69.302     0.001     (0)  
-[13C](-4)     1.195e-19
-   [13C]H4         1.195e-19   1.197e-19   -18.923   -18.922     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.301   -66.300     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.700   -68.699     0.001     (0)  
+[13C](-4)     7.439e-21
+   [13C]H4         7.439e-21   7.451e-21   -20.128   -20.128     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.596e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.190e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.426e-31
-   [14C]H4         1.426e-31   1.428e-31   -30.846   -30.845     0.001     (0)  
+[14C](-4)     8.880e-33
+   [14C]H4         8.880e-33   8.894e-33   -32.052   -32.051     0.001     (0)  
 [14C](4)      7.837e-17
    H[14C]O3-       6.330e-17   5.792e-17   -16.199   -16.237    -0.039     (0)  
    [14C]O2         1.317e-17   1.319e-17   -16.880   -16.880     0.001     (0)  
    CaH[14C]O3+     1.337e-18   1.226e-18   -17.874   -17.911    -0.037     (0)  
-   H[14C]O2[18O]-   1.263e-19   1.156e-19   -18.899   -18.937    -0.039     (0)  
-   H[14C]O[18O]O-   1.263e-19   1.156e-19   -18.899   -18.937    -0.039     (0)  
    H[14C][18O]O2-   1.263e-19   1.156e-19   -18.899   -18.937    -0.039     (0)  
+   H[14C]O[18O]O-   1.263e-19   1.156e-19   -18.899   -18.937    -0.039     (0)  
+   H[14C]O2[18O]-   1.263e-19   1.156e-19   -18.899   -18.937    -0.039     (0)  
    Ca[14C]O3       7.328e-20   7.340e-20   -19.135   -19.134     0.001     (0)  
    [14C]O[18O]     5.478e-20   5.487e-20   -19.261   -19.261     0.001     (0)  
    [14C]O3-2       3.759e-20   2.634e-20   -19.425   -19.579    -0.155     (0)  
    CaH[14C]O2[18O]+   2.667e-21   2.447e-21   -20.574   -20.611    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.667e-21   2.447e-21   -20.574   -20.611    -0.037     (0)  
    CaH[14C][18O]O2+   2.667e-21   2.447e-21   -20.574   -20.611    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.667e-21   2.447e-21   -20.574   -20.611    -0.037     (0)  
    Ca[14C]O2[18O]   4.386e-22   4.394e-22   -21.358   -21.357     0.001     (0)  
    H[14C]O[18O]2-   2.520e-22   2.306e-22   -21.599   -21.637    -0.039     (0)  
    H[14C][18O]2O-   2.520e-22   2.306e-22   -21.599   -21.637    -0.039     (0)  
@@ -14874,29 +14904,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.303   -69.302     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.304   -72.303     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.700   -68.699     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.701   -71.700     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -16.06    -18.92   -2.86  [13C]H4
+  [13C]H4(g)      -17.27    -20.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.78    -22.28   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.99    -30.85   -2.86  [14C]H4
+  [14C]H4(g)      -29.19    -32.05   -2.86  [14C]H4
   [14C]O2(g)      -15.41    -16.88   -1.47  [14C]O2
   [14C]O[18O](g)  -17.79    -19.58   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.01    -72.30   -2.29  [18O]2
+  [18O]2(g)       -69.41    -71.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -14910,14 +14940,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -14.11    -16.97   -2.86  CH4
+  CH4(g)          -15.31    -18.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.59    -12.74   -3.15  H2
+  H2(g)            -9.89    -13.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.01    -66.90   -2.89  O2
-  O[18O](g)       -66.71    -69.60   -2.89  O[18O]
+  O2(g)           -63.41    -66.30   -2.89  O2
+  O[18O](g)       -66.11    -69.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -14941,12 +14971,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 60.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -15032,14 +15056,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.4385e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7426e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.565e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.7748e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    4.4409e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.2434e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    5.9952e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -15057,16 +15081,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.201      Adjusted to redox equilibrium
+                                       pe  =  -2.059      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 128 (229 overall)
+                               Iterations  =  98
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -15078,14 +15102,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.246e-17
-   CH4             1.246e-17   1.248e-17   -16.905   -16.904     0.001     (0)  
+C(-4)         9.176e-19
+   CH4             9.176e-19   9.191e-19   -18.037   -18.037     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -15094,9 +15118,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -15104,23 +15128,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.772e-13
-   H2              1.886e-13   1.889e-13   -12.724   -12.724     0.001     (0)  
+H(0)          1.965e-13
+   H2              9.826e-14   9.843e-14   -13.008   -13.007     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.935   -66.934     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.334   -69.333     0.001     (0)  
-[13C](-4)     1.381e-19
-   [13C]H4         1.381e-19   1.383e-19   -18.860   -18.859     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.369   -66.368     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.768   -68.767     0.001     (0)  
+[13C](-4)     1.017e-20
+   [13C]H4         1.017e-20   1.019e-20   -19.993   -19.992     0.001     (0)  
 [13C](4)      6.518e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.018e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.597e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -15129,56 +15153,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.518e-31
-   [14C]H4         1.518e-31   1.521e-31   -30.819   -30.818     0.001     (0)  
+[14C](-4)     1.118e-32
+   [14C]H4         1.118e-32   1.120e-32   -31.952   -31.951     0.001     (0)  
 [14C](4)      7.219e-17
    H[14C]O3-       5.832e-17   5.335e-17   -16.234   -16.273    -0.039     (0)  
    [14C]O2         1.213e-17   1.215e-17   -16.916   -16.915     0.001     (0)  
    CaH[14C]O3+     1.231e-18   1.130e-18   -17.910   -17.947    -0.037     (0)  
-   H[14C]O2[18O]-   1.164e-19   1.065e-19   -18.934   -18.973    -0.039     (0)  
-   H[14C]O[18O]O-   1.164e-19   1.065e-19   -18.934   -18.973    -0.039     (0)  
    H[14C][18O]O2-   1.164e-19   1.065e-19   -18.934   -18.973    -0.039     (0)  
+   H[14C]O[18O]O-   1.164e-19   1.065e-19   -18.934   -18.973    -0.039     (0)  
+   H[14C]O2[18O]-   1.164e-19   1.065e-19   -18.934   -18.973    -0.039     (0)  
    Ca[14C]O3       6.751e-20   6.762e-20   -19.171   -19.170     0.001     (0)  
    [14C]O[18O]     5.046e-20   5.054e-20   -19.297   -19.296     0.001     (0)  
    [14C]O3-2       3.463e-20   2.426e-20   -19.461   -19.615    -0.155     (0)  
    CaH[14C]O2[18O]+   2.457e-21   2.254e-21   -20.610   -20.647    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.457e-21   2.254e-21   -20.610   -20.647    -0.037     (0)  
    CaH[14C][18O]O2+   2.457e-21   2.254e-21   -20.610   -20.647    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.457e-21   2.254e-21   -20.610   -20.647    -0.037     (0)  
    Ca[14C]O2[18O]   4.041e-22   4.048e-22   -21.394   -21.393     0.001     (0)  
-   H[14C]O[18O]2-   2.322e-22   2.124e-22   -21.634   -21.673    -0.039     (0)  
    H[14C][18O]2O-   2.322e-22   2.124e-22   -21.634   -21.673    -0.039     (0)  
    H[14C][18O]O[18O]-   2.322e-22   2.124e-22   -21.634   -21.673    -0.039     (0)  
+   H[14C]O[18O]2-   2.322e-22   2.124e-22   -21.634   -21.673    -0.039     (0)  
    [14C]O2[18O]-2   2.073e-22   1.452e-22   -21.683   -21.838    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.334   -69.333     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.335   -72.334     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.768   -68.767     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.769   -71.768     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -16.00    -18.86   -2.86  [13C]H4
+  [13C]H4(g)      -17.13    -19.99   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.81    -22.32   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.96    -30.82   -2.86  [14C]H4
+  [14C]H4(g)      -29.09    -31.95   -2.86  [14C]H4
   [14C]O2(g)      -15.45    -16.92   -1.47  [14C]O2
   [14C]O[18O](g)  -17.83    -19.62   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.04    -72.33   -2.29  [18O]2
+  [18O]2(g)       -69.48    -71.77   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -15192,14 +15216,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -14.04    -16.90   -2.86  CH4
+  CH4(g)          -15.18    -18.04   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.57    -12.72   -3.15  H2
+  H2(g)            -9.86    -13.01   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.04    -66.93   -2.89  O2
-  O[18O](g)       -66.74    -69.63   -2.89  O[18O]
+  O2(g)           -63.48    -66.37   -2.89  O2
+  O[18O](g)       -66.18    -69.07   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -15223,12 +15247,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 61.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -15314,14 +15332,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5726e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5291e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -8.1046e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -2.9976e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -15339,16 +15357,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.198      Adjusted to redox equilibrium
+                                       pe  =  -2.038      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  97 (198 overall)
+                               Iterations  =  96
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -15360,25 +15378,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.184e-17
-   CH4             1.184e-17   1.185e-17   -16.927   -16.926     0.001     (0)  
+C(-4)         6.172e-19
+   CH4             6.172e-19   6.182e-19   -18.210   -18.209     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -15386,81 +15404,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.724e-13
-   H2              1.862e-13   1.865e-13   -12.730   -12.729     0.001     (0)  
+H(0)          1.780e-13
+   H2              8.899e-14   8.914e-14   -13.051   -13.050     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.924   -66.923     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.323   -69.322     0.001     (0)  
-[13C](-4)     1.312e-19
-   [13C]H4         1.312e-19   1.314e-19   -18.882   -18.881     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.283   -66.282     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.682   -68.681     0.001     (0)  
+[13C](-4)     6.840e-21
+   [13C]H4         6.840e-21   6.851e-21   -20.165   -20.164     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.095e-08   6.105e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.648e-10   3.654e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.329e-31
-   [14C]H4         1.329e-31   1.331e-31   -30.877   -30.876     0.001     (0)  
+[14C](-4)     6.929e-33
+   [14C]H4         6.929e-33   6.940e-33   -32.159   -32.159     0.001     (0)  
 [14C](4)      6.651e-17
    H[14C]O3-       5.372e-17   4.915e-17   -16.270   -16.308    -0.039     (0)  
    [14C]O2         1.118e-17   1.120e-17   -16.952   -16.951     0.001     (0)  
    CaH[14C]O3+     1.134e-18   1.041e-18   -17.945   -17.983    -0.037     (0)  
-   H[14C]O2[18O]-   1.072e-19   9.807e-20   -18.970   -19.008    -0.039     (0)  
-   H[14C]O[18O]O-   1.072e-19   9.807e-20   -18.970   -19.008    -0.039     (0)  
    H[14C][18O]O2-   1.072e-19   9.807e-20   -18.970   -19.008    -0.039     (0)  
+   H[14C]O[18O]O-   1.072e-19   9.807e-20   -18.970   -19.008    -0.039     (0)  
+   H[14C]O2[18O]-   1.072e-19   9.807e-20   -18.970   -19.008    -0.039     (0)  
    Ca[14C]O3       6.219e-20   6.230e-20   -19.206   -19.206     0.001     (0)  
    [14C]O[18O]     4.649e-20   4.656e-20   -19.333   -19.332     0.001     (0)  
    [14C]O3-2       3.190e-20   2.235e-20   -19.496   -19.651    -0.155     (0)  
    CaH[14C]O2[18O]+   2.264e-21   2.076e-21   -20.645   -20.683    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.264e-21   2.076e-21   -20.645   -20.683    -0.037     (0)  
    CaH[14C][18O]O2+   2.264e-21   2.076e-21   -20.645   -20.683    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.264e-21   2.076e-21   -20.645   -20.683    -0.037     (0)  
    Ca[14C]O2[18O]   3.723e-22   3.729e-22   -21.429   -21.428     0.001     (0)  
+   H[14C][18O]O[18O]-   2.139e-22   1.957e-22   -21.670   -21.708    -0.039     (0)  
    H[14C]O[18O]2-   2.139e-22   1.957e-22   -21.670   -21.708    -0.039     (0)  
    H[14C][18O]2O-   2.139e-22   1.957e-22   -21.670   -21.708    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.139e-22   1.957e-22   -21.670   -21.708    -0.039     (0)  
    [14C]O2[18O]-2   1.910e-22   1.338e-22   -21.719   -21.874    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.323   -69.322     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.324   -72.323     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.682   -68.681     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.683   -71.682     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -16.02    -18.88   -2.86  [13C]H4
+  [13C]H4(g)      -17.30    -20.16   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.85    -22.35   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.02    -30.88   -2.86  [14C]H4
+  [14C]H4(g)      -29.30    -32.16   -2.86  [14C]H4
   [14C]O2(g)      -15.48    -16.95   -1.47  [14C]O2
   [14C]O[18O](g)  -17.86    -19.65   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.03    -72.32   -2.29  [18O]2
+  [18O]2(g)       -69.39    -71.68   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -15474,14 +15492,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -14.07    -16.93   -2.86  CH4
+  CH4(g)          -15.35    -18.21   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.58    -12.73   -3.15  H2
+  H2(g)            -9.90    -13.05   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.03    -66.92   -2.89  O2
-  O[18O](g)       -66.73    -69.62   -2.89  O[18O]
+  O2(g)           -63.39    -66.28   -2.89  O2
+  O[18O](g)       -66.09    -68.98   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -15505,6 +15523,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 62.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -15590,14 +15614,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.9944e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.623e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6459e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -1.521e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -9.1038e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -4.1078e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -15615,16 +15639,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.200      Adjusted to redox equilibrium
+                                       pe  =  -2.004      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  77
+                               Iterations  =  98 (199 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -15636,15 +15660,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.220e-17
-   CH4             1.220e-17   1.222e-17   -16.914   -16.913     0.001     (0)  
+C(-4)         3.344e-19
+   CH4             3.344e-19   3.349e-19   -18.476   -18.475     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -15652,9 +15676,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -15662,50 +15686,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.753e-13
-   H2              1.876e-13   1.880e-13   -12.727   -12.726     0.001     (0)  
+H(0)          1.527e-13
+   H2              7.635e-14   7.647e-14   -13.117   -13.117     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -66.931   -66.930     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.330   -69.329     0.001     (0)  
-[13C](-4)     1.352e-19
-   [13C]H4         1.352e-19   1.354e-19   -18.869   -18.868     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.149   -66.149     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.548   -68.548     0.001     (0)  
+[13C](-4)     3.706e-21
+   [13C]H4         3.706e-21   3.712e-21   -20.431   -20.430     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.262e-31
-   [14C]H4         1.262e-31   1.264e-31   -30.899   -30.898     0.001     (0)  
+[14C](-4)     3.458e-33
+   [14C]H4         3.458e-33   3.464e-33   -32.461   -32.460     0.001     (0)  
 [14C](4)      6.127e-17
    H[14C]O3-       4.949e-17   4.528e-17   -16.305   -16.344    -0.039     (0)  
    [14C]O2         1.030e-17   1.032e-17   -16.987   -16.987     0.001     (0)  
    CaH[14C]O3+     1.045e-18   9.587e-19   -17.981   -18.018    -0.037     (0)  
-   H[14C]O2[18O]-   9.875e-20   9.034e-20   -19.005   -19.044    -0.039     (0)  
-   H[14C]O[18O]O-   9.875e-20   9.034e-20   -19.005   -19.044    -0.039     (0)  
    H[14C][18O]O2-   9.875e-20   9.034e-20   -19.005   -19.044    -0.039     (0)  
+   H[14C]O[18O]O-   9.875e-20   9.034e-20   -19.005   -19.044    -0.039     (0)  
+   H[14C]O2[18O]-   9.875e-20   9.034e-20   -19.005   -19.044    -0.039     (0)  
    Ca[14C]O3       5.729e-20   5.739e-20   -19.242   -19.241     0.001     (0)  
    [14C]O[18O]     4.282e-20   4.289e-20   -19.368   -19.368     0.001     (0)  
    [14C]O3-2       2.939e-20   2.059e-20   -19.532   -19.686    -0.155     (0)  
    CaH[14C]O2[18O]+   2.085e-21   1.913e-21   -20.681   -20.718    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.085e-21   1.913e-21   -20.681   -20.718    -0.037     (0)  
    CaH[14C][18O]O2+   2.085e-21   1.913e-21   -20.681   -20.718    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.085e-21   1.913e-21   -20.681   -20.718    -0.037     (0)  
    Ca[14C]O2[18O]   3.429e-22   3.435e-22   -21.465   -21.464     0.001     (0)  
    H[14C]O[18O]2-   1.970e-22   1.802e-22   -21.705   -21.744    -0.039     (0)  
    H[14C][18O]2O-   1.970e-22   1.802e-22   -21.705   -21.744    -0.039     (0)  
@@ -15714,29 +15738,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.330   -69.329     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.331   -72.330     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.548   -68.548     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.550   -71.549     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -16.01    -18.87   -2.86  [13C]H4
+  [13C]H4(g)      -17.57    -20.43   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.88    -22.39   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.04    -30.90   -2.86  [14C]H4
+  [14C]H4(g)      -29.60    -32.46   -2.86  [14C]H4
   [14C]O2(g)      -15.52    -16.99   -1.47  [14C]O2
   [14C]O[18O](g)  -17.90    -19.69   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.04    -72.33   -2.29  [18O]2
+  [18O]2(g)       -69.26    -71.55   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -15750,14 +15774,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -14.05    -16.91   -2.86  CH4
+  CH4(g)          -15.62    -18.48   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.58    -12.73   -3.15  H2
+  H2(g)            -9.97    -13.12   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.04    -66.93   -2.89  O2
-  O[18O](g)       -66.74    -69.63   -2.89  O[18O]
+  O2(g)           -63.26    -66.15   -2.89  O2
+  O[18O](g)       -65.96    -68.85   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -15872,14 +15896,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6628e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5477e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1213e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.5543e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     4.885e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -15897,16 +15921,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.227      Adjusted to redox equilibrium
+                                       pe  =  -2.051      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  78 (179 overall)
+                               Iterations  = 118 (219 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -15918,25 +15942,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.004e-17
-   CH4             2.004e-17   2.007e-17   -16.698   -16.697     0.001     (0)  
+C(-4)         7.807e-19
+   CH4             7.807e-19   7.820e-19   -18.107   -18.107     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -15944,23 +15968,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.248e-13
-   H2              2.124e-13   2.128e-13   -12.673   -12.672     0.001     (0)  
+H(0)          1.888e-13
+   H2              9.438e-14   9.453e-14   -13.025   -13.024     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.038   -67.038     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.437   -69.437     0.001     (0)  
-[13C](-4)     2.221e-19
-   [13C]H4         2.221e-19   2.224e-19   -18.653   -18.653     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.334   -66.333     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.733   -68.732     0.001     (0)  
+[13C](-4)     8.653e-21
+   [13C]H4         8.653e-21   8.667e-21   -20.063   -20.062     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.810e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -15969,56 +15993,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.909e-31
-   [14C]H4         1.909e-31   1.912e-31   -30.719   -30.718     0.001     (0)  
+[14C](-4)     7.438e-33
+   [14C]H4         7.438e-33   7.451e-33   -32.129   -32.128     0.001     (0)  
 [14C](4)      5.644e-17
    H[14C]O3-       4.559e-17   4.171e-17   -16.341   -16.380    -0.039     (0)  
    [14C]O2         9.487e-18   9.503e-18   -17.023   -17.022     0.001     (0)  
    CaH[14C]O3+     9.628e-19   8.832e-19   -18.016   -18.054    -0.037     (0)  
-   H[14C]O2[18O]-   9.097e-20   8.322e-20   -19.041   -19.080    -0.039     (0)  
-   H[14C]O[18O]O-   9.097e-20   8.322e-20   -19.041   -19.080    -0.039     (0)  
    H[14C][18O]O2-   9.097e-20   8.322e-20   -19.041   -19.080    -0.039     (0)  
+   H[14C]O[18O]O-   9.097e-20   8.322e-20   -19.041   -19.080    -0.039     (0)  
+   H[14C]O2[18O]-   9.097e-20   8.322e-20   -19.041   -19.080    -0.039     (0)  
    Ca[14C]O3       5.278e-20   5.287e-20   -19.278   -19.277     0.001     (0)  
    [14C]O[18O]     3.945e-20   3.952e-20   -19.404   -19.403     0.001     (0)  
    [14C]O3-2       2.708e-20   1.897e-20   -19.567   -19.722    -0.155     (0)  
    CaH[14C]O2[18O]+   1.921e-21   1.762e-21   -20.716   -20.754    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.921e-21   1.762e-21   -20.716   -20.754    -0.037     (0)  
    CaH[14C][18O]O2+   1.921e-21   1.762e-21   -20.716   -20.754    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.921e-21   1.762e-21   -20.716   -20.754    -0.037     (0)  
    Ca[14C]O2[18O]   3.159e-22   3.164e-22   -21.500   -21.500     0.001     (0)  
-   H[14C]O[18O]2-   1.815e-22   1.660e-22   -21.741   -21.780    -0.039     (0)  
    H[14C][18O]2O-   1.815e-22   1.660e-22   -21.741   -21.780    -0.039     (0)  
    H[14C][18O]O[18O]-   1.815e-22   1.660e-22   -21.741   -21.780    -0.039     (0)  
+   H[14C]O[18O]2-   1.815e-22   1.660e-22   -21.741   -21.780    -0.039     (0)  
    [14C]O2[18O]-2   1.621e-22   1.135e-22   -21.790   -21.945    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.437   -69.437     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.438   -72.438     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.733   -68.732     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.734   -71.733     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.79    -18.65   -2.86  [13C]H4
+  [13C]H4(g)      -17.20    -20.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.92    -22.42   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.86    -30.72   -2.86  [14C]H4
+  [14C]H4(g)      -29.27    -32.13   -2.86  [14C]H4
   [14C]O2(g)      -15.55    -17.02   -1.47  [14C]O2
   [14C]O[18O](g)  -17.94    -19.72   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.15    -72.44   -2.29  [18O]2
+  [18O]2(g)       -69.44    -71.73   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -16032,14 +16056,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.84    -16.70   -2.86  CH4
+  CH4(g)          -15.25    -18.11   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.52    -12.67   -3.15  H2
+  H2(g)            -9.87    -13.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.15    -67.04   -2.89  O2
-  O[18O](g)       -66.85    -69.74   -2.89  O[18O]
+  O2(g)           -63.44    -66.33   -2.89  O2
+  O[18O](g)       -66.14    -69.03   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -16148,14 +16172,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6089e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5606e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    8.2157e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1     5.107e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     5.107e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -16173,16 +16197,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.256      Adjusted to redox equilibrium
+                                       pe  =  -2.145      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  51
+                               Iterations  =  89
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -16194,15 +16218,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.407e-17
-   CH4             3.407e-17   3.413e-17   -16.468   -16.467     0.001     (0)  
+C(-4)         4.479e-18
+   CH4             4.479e-18   4.486e-18   -17.349   -17.348     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -16210,9 +16234,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -16220,81 +16244,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.851e-13
-   H2              2.426e-13   2.430e-13   -12.615   -12.614     0.001     (0)  
+H(0)          2.921e-13
+   H2              1.461e-13   1.463e-13   -12.835   -12.835     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.154   -67.153     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.553   -69.552     0.001     (0)  
-[13C](-4)     3.776e-19
-   [13C]H4         3.776e-19   3.782e-19   -18.423   -18.422     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.713   -66.712     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.112   -69.111     0.001     (0)  
+[13C](-4)     4.964e-20
+   [13C]H4         4.964e-20   4.972e-20   -19.304   -19.303     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.990e-31
-   [14C]H4         2.990e-31   2.995e-31   -30.524   -30.524     0.001     (0)  
+[14C](-4)     3.931e-32
+   [14C]H4         3.931e-32   3.938e-32   -31.405   -31.405     0.001     (0)  
 [14C](4)      5.200e-17
    H[14C]O3-       4.200e-17   3.843e-17   -16.377   -16.415    -0.039     (0)  
    [14C]O2         8.740e-18   8.754e-18   -17.058   -17.058     0.001     (0)  
    CaH[14C]O3+     8.870e-19   8.136e-19   -18.052   -18.090    -0.037     (0)  
-   H[14C]O2[18O]-   8.380e-20   7.667e-20   -19.077   -19.115    -0.039     (0)  
-   H[14C]O[18O]O-   8.380e-20   7.667e-20   -19.077   -19.115    -0.039     (0)  
    H[14C][18O]O2-   8.380e-20   7.667e-20   -19.077   -19.115    -0.039     (0)  
+   H[14C]O[18O]O-   8.380e-20   7.667e-20   -19.077   -19.115    -0.039     (0)  
+   H[14C]O2[18O]-   8.380e-20   7.667e-20   -19.077   -19.115    -0.039     (0)  
    Ca[14C]O3       4.862e-20   4.870e-20   -19.313   -19.312     0.001     (0)  
    [14C]O[18O]     3.634e-20   3.640e-20   -19.440   -19.439     0.001     (0)  
    [14C]O3-2       2.494e-20   1.747e-20   -19.603   -19.758    -0.155     (0)  
    CaH[14C]O2[18O]+   1.770e-21   1.623e-21   -20.752   -20.790    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.770e-21   1.623e-21   -20.752   -20.790    -0.037     (0)  
    CaH[14C][18O]O2+   1.770e-21   1.623e-21   -20.752   -20.790    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.770e-21   1.623e-21   -20.752   -20.790    -0.037     (0)  
    Ca[14C]O2[18O]   2.910e-22   2.915e-22   -21.536   -21.535     0.001     (0)  
+   H[14C][18O]O[18O]-   1.672e-22   1.530e-22   -21.777   -21.815    -0.039     (0)  
    H[14C]O[18O]2-   1.672e-22   1.530e-22   -21.777   -21.815    -0.039     (0)  
    H[14C][18O]2O-   1.672e-22   1.530e-22   -21.777   -21.815    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.672e-22   1.530e-22   -21.777   -21.815    -0.039     (0)  
    [14C]O2[18O]-2   1.493e-22   1.046e-22   -21.826   -21.981    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.553   -69.552     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.554   -72.553     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.112   -69.111     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.113   -72.112     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.56    -18.42   -2.86  [13C]H4
+  [13C]H4(g)      -16.44    -19.30   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.95    -22.46   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.66    -30.52   -2.86  [14C]H4
+  [14C]H4(g)      -28.54    -31.40   -2.86  [14C]H4
   [14C]O2(g)      -15.59    -17.06   -1.47  [14C]O2
   [14C]O[18O](g)  -17.97    -19.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.26    -72.55   -2.29  [18O]2
+  [18O]2(g)       -69.82    -72.11   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -16308,14 +16332,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.61    -16.47   -2.86  CH4
+  CH4(g)          -14.49    -17.35   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.46    -12.61   -3.15  H2
+  H2(g)            -9.68    -12.83   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.26    -67.15   -2.89  O2
-  O[18O](g)       -66.96    -69.85   -2.89  O[18O]
+  O2(g)           -63.82    -66.71   -2.89  O2
+  O[18O](g)       -66.52    -69.41   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -16430,14 +16454,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7167e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7349e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    8.8818e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.5543e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -16455,16 +16479,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.217      Adjusted to redox equilibrium
+                                       pe  =  -2.029      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 119 (220 overall)
+                               Iterations  = 178 (279 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -16476,25 +16500,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.684e-17
-   CH4             1.684e-17   1.687e-17   -16.774   -16.773     0.001     (0)  
+C(-4)         5.279e-19
+   CH4             5.279e-19   5.287e-19   -18.277   -18.277     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -16502,50 +16526,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.068e-13
-   H2              2.034e-13   2.037e-13   -12.692   -12.691     0.001     (0)  
+H(0)          1.712e-13
+   H2              8.558e-14   8.572e-14   -13.068   -13.067     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.001   -67.000     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.400   -69.399     0.001     (0)  
-[13C](-4)     1.866e-19
-   [13C]H4         1.866e-19   1.869e-19   -18.729   -18.728     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.249   -66.248     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.648   -68.647     0.001     (0)  
+[13C](-4)     5.850e-21
+   [13C]H4         5.850e-21   5.860e-21   -20.233   -20.232     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.362e-31
-   [14C]H4         1.362e-31   1.364e-31   -30.866   -30.865     0.001     (0)  
+[14C](-4)     4.268e-33
+   [14C]H4         4.268e-33   4.275e-33   -32.370   -32.369     0.001     (0)  
 [14C](4)      4.790e-17
    H[14C]O3-       3.869e-17   3.540e-17   -16.412   -16.451    -0.039     (0)  
    [14C]O2         8.051e-18   8.065e-18   -17.094   -17.093     0.001     (0)  
    CaH[14C]O3+     8.171e-19   7.495e-19   -18.088   -18.125    -0.037     (0)  
-   H[14C]O2[18O]-   7.720e-20   7.063e-20   -19.112   -19.151    -0.039     (0)  
-   H[14C]O[18O]O-   7.720e-20   7.063e-20   -19.112   -19.151    -0.039     (0)  
    H[14C][18O]O2-   7.720e-20   7.063e-20   -19.112   -19.151    -0.039     (0)  
+   H[14C]O[18O]O-   7.720e-20   7.063e-20   -19.112   -19.151    -0.039     (0)  
+   H[14C]O2[18O]-   7.720e-20   7.063e-20   -19.112   -19.151    -0.039     (0)  
    Ca[14C]O3       4.479e-20   4.487e-20   -19.349   -19.348     0.001     (0)  
    [14C]O[18O]     3.348e-20   3.354e-20   -19.475   -19.475     0.001     (0)  
    [14C]O3-2       2.298e-20   1.610e-20   -19.639   -19.793    -0.155     (0)  
    CaH[14C]O2[18O]+   1.630e-21   1.495e-21   -20.788   -20.825    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.630e-21   1.495e-21   -20.788   -20.825    -0.037     (0)  
    CaH[14C][18O]O2+   1.630e-21   1.495e-21   -20.788   -20.825    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.630e-21   1.495e-21   -20.788   -20.825    -0.037     (0)  
    Ca[14C]O2[18O]   2.681e-22   2.686e-22   -21.572   -21.571     0.001     (0)  
    H[14C]O[18O]2-   1.540e-22   1.409e-22   -21.812   -21.851    -0.039     (0)  
    H[14C][18O]2O-   1.540e-22   1.409e-22   -21.812   -21.851    -0.039     (0)  
@@ -16554,29 +16578,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.400   -69.399     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.401   -72.400     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.648   -68.647     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.649   -71.648     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.87    -18.73   -2.86  [13C]H4
+  [13C]H4(g)      -17.37    -20.23   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.99    -22.49   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.01    -30.87   -2.86  [14C]H4
+  [14C]H4(g)      -29.51    -32.37   -2.86  [14C]H4
   [14C]O2(g)      -15.62    -17.09   -1.47  [14C]O2
   [14C]O[18O](g)  -18.01    -19.79   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.11    -72.40   -2.29  [18O]2
+  [18O]2(g)       -69.36    -71.65   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -16590,14 +16614,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.91    -16.77   -2.86  CH4
+  CH4(g)          -15.42    -18.28   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.54    -12.69   -3.15  H2
+  H2(g)            -9.92    -13.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.11    -67.00   -2.89  O2
-  O[18O](g)       -66.81    -69.70   -2.89  O[18O]
+  O2(g)           -63.36    -66.25   -2.89  O2
+  O[18O](g)       -66.06    -68.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -16712,14 +16736,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.785e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7299e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.3291e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.1102e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -16737,16 +16761,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.218      Adjusted to redox equilibrium
+                                       pe  =  -2.064      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  59 (160 overall)
+                               Iterations  =  75 (176 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -16758,14 +16782,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.697e-17
-   CH4             1.697e-17   1.699e-17   -16.770   -16.770     0.001     (0)  
+C(-4)         9.984e-19
+   CH4             9.984e-19   1.000e-18   -18.001   -18.000     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -16774,9 +16798,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -16784,23 +16808,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.075e-13
-   H2              2.038e-13   2.041e-13   -12.691   -12.690     0.001     (0)  
+H(0)          2.007e-13
+   H2              1.004e-13   1.005e-13   -12.998   -12.998     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.002   -67.001     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.401   -69.400     0.001     (0)  
-[13C](-4)     1.880e-19
-   [13C]H4         1.880e-19   1.883e-19   -18.726   -18.725     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.387   -66.386     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.786   -68.785     0.001     (0)  
+[13C](-4)     1.107e-20
+   [13C]H4         1.107e-20   1.108e-20   -19.956   -19.955     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -16809,56 +16833,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.264e-31
-   [14C]H4         1.264e-31   1.266e-31   -30.898   -30.898     0.001     (0)  
+[14C](-4)     7.436e-33
+   [14C]H4         7.436e-33   7.449e-33   -32.129   -32.128     0.001     (0)  
 [14C](4)      4.413e-17
    H[14C]O3-       3.565e-17   3.261e-17   -16.448   -16.487    -0.039     (0)  
    [14C]O2         7.417e-18   7.429e-18   -17.130   -17.129     0.001     (0)  
    CaH[14C]O3+     7.527e-19   6.905e-19   -18.123   -18.161    -0.037     (0)  
-   H[14C]O2[18O]-   7.112e-20   6.507e-20   -19.148   -19.187    -0.039     (0)  
-   H[14C]O[18O]O-   7.112e-20   6.507e-20   -19.148   -19.187    -0.039     (0)  
    H[14C][18O]O2-   7.112e-20   6.507e-20   -19.148   -19.187    -0.039     (0)  
+   H[14C]O[18O]O-   7.112e-20   6.507e-20   -19.148   -19.187    -0.039     (0)  
+   H[14C]O2[18O]-   7.112e-20   6.507e-20   -19.148   -19.187    -0.039     (0)  
    Ca[14C]O3       4.126e-20   4.133e-20   -19.384   -19.384     0.001     (0)  
    [14C]O[18O]     3.084e-20   3.089e-20   -19.511   -19.510     0.001     (0)  
    [14C]O3-2       2.117e-20   1.483e-20   -19.674   -19.829    -0.155     (0)  
    CaH[14C]O2[18O]+   1.502e-21   1.378e-21   -20.823   -20.861    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.502e-21   1.378e-21   -20.823   -20.861    -0.037     (0)  
    CaH[14C][18O]O2+   1.502e-21   1.378e-21   -20.823   -20.861    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.502e-21   1.378e-21   -20.823   -20.861    -0.037     (0)  
    Ca[14C]O2[18O]   2.470e-22   2.474e-22   -21.607   -21.607     0.001     (0)  
-   H[14C]O[18O]2-   1.419e-22   1.298e-22   -21.848   -21.887    -0.039     (0)  
    H[14C][18O]2O-   1.419e-22   1.298e-22   -21.848   -21.887    -0.039     (0)  
    H[14C][18O]O[18O]-   1.419e-22   1.298e-22   -21.848   -21.887    -0.039     (0)  
+   H[14C]O[18O]2-   1.419e-22   1.298e-22   -21.848   -21.887    -0.039     (0)  
    [14C]O2[18O]-2   1.267e-22   8.876e-23   -21.897   -22.052    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.401   -69.400     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.402   -72.401     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.786   -68.785     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.787   -71.786     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.87    -18.73   -2.86  [13C]H4
+  [13C]H4(g)      -17.10    -19.96   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.03    -22.53   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.04    -30.90   -2.86  [14C]H4
+  [14C]H4(g)      -29.27    -32.13   -2.86  [14C]H4
   [14C]O2(g)      -15.66    -17.13   -1.47  [14C]O2
   [14C]O[18O](g)  -18.04    -19.83   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.11    -72.40   -2.29  [18O]2
+  [18O]2(g)       -69.50    -71.79   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -16872,14 +16896,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.91    -16.77   -2.86  CH4
+  CH4(g)          -15.14    -18.00   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.54    -12.69   -3.15  H2
+  H2(g)            -9.85    -13.00   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.11    -67.00   -2.89  O2
-  O[18O](g)       -66.81    -69.70   -2.89  O[18O]
+  O2(g)           -63.49    -66.39   -2.89  O2
+  O[18O](g)       -66.19    -69.09   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -16903,6 +16927,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 67.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -16988,14 +17018,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.9936e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6065e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7544e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -4.1078e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.9944e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    -1.521e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -17013,16 +17043,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.245      Adjusted to redox equilibrium
+                                       pe  =  -2.179      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  54
+                               Iterations  = 127 (228 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -17034,25 +17064,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.803e-17
-   CH4             2.803e-17   2.808e-17   -16.552   -16.552     0.001     (0)  
+C(-4)         8.337e-18
+   CH4             8.337e-18   8.350e-18   -17.079   -17.078     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -17060,81 +17090,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.620e-13
-   H2              2.310e-13   2.314e-13   -12.636   -12.636     0.001     (0)  
+H(0)          3.412e-13
+   H2              1.706e-13   1.709e-13   -12.768   -12.767     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.111   -67.110     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.510   -69.509     0.001     (0)  
-[13C](-4)     3.107e-19
-   [13C]H4         3.107e-19   3.112e-19   -18.508   -18.507     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.848   -66.847     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.247   -69.246     0.001     (0)  
+[13C](-4)     9.240e-20
+   [13C]H4         9.240e-20   9.255e-20   -19.034   -19.034     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.924e-31
-   [14C]H4         1.924e-31   1.927e-31   -30.716   -30.715     0.001     (0)  
+[14C](-4)     5.720e-32
+   [14C]H4         5.720e-32   5.730e-32   -31.243   -31.242     0.001     (0)  
 [14C](4)      4.065e-17
    H[14C]O3-       3.284e-17   3.004e-17   -16.484   -16.522    -0.039     (0)  
    [14C]O2         6.833e-18   6.844e-18   -17.165   -17.165     0.001     (0)  
    CaH[14C]O3+     6.934e-19   6.361e-19   -18.159   -18.196    -0.037     (0)  
-   H[14C]O2[18O]-   6.552e-20   5.994e-20   -19.184   -19.222    -0.039     (0)  
-   H[14C]O[18O]O-   6.552e-20   5.994e-20   -19.184   -19.222    -0.039     (0)  
    H[14C][18O]O2-   6.552e-20   5.994e-20   -19.184   -19.222    -0.039     (0)  
+   H[14C]O[18O]O-   6.552e-20   5.994e-20   -19.184   -19.222    -0.039     (0)  
+   H[14C]O2[18O]-   6.552e-20   5.994e-20   -19.184   -19.222    -0.039     (0)  
    Ca[14C]O3       3.801e-20   3.808e-20   -19.420   -19.419     0.001     (0)  
    [14C]O[18O]     2.841e-20   2.846e-20   -19.546   -19.546     0.001     (0)  
    [14C]O3-2       1.950e-20   1.366e-20   -19.710   -19.865    -0.155     (0)  
    CaH[14C]O2[18O]+   1.384e-21   1.269e-21   -20.859   -20.896    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.384e-21   1.269e-21   -20.859   -20.896    -0.037     (0)  
    CaH[14C][18O]O2+   1.384e-21   1.269e-21   -20.859   -20.896    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.384e-21   1.269e-21   -20.859   -20.896    -0.037     (0)  
    Ca[14C]O2[18O]   2.275e-22   2.279e-22   -21.643   -21.642     0.001     (0)  
+   H[14C][18O]O[18O]-   1.307e-22   1.196e-22   -21.884   -21.922    -0.039     (0)  
    H[14C]O[18O]2-   1.307e-22   1.196e-22   -21.884   -21.922    -0.039     (0)  
    H[14C][18O]2O-   1.307e-22   1.196e-22   -21.884   -21.922    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.307e-22   1.196e-22   -21.884   -21.922    -0.039     (0)  
    [14C]O2[18O]-2   1.167e-22   8.177e-23   -21.933   -22.087    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.510   -69.509     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.511   -72.511     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.247   -69.246     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.248   -72.247     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.65    -18.51   -2.86  [13C]H4
+  [13C]H4(g)      -16.17    -19.03   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.06    -22.56   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.86    -30.72   -2.86  [14C]H4
+  [14C]H4(g)      -28.38    -31.24   -2.86  [14C]H4
   [14C]O2(g)      -15.70    -17.16   -1.47  [14C]O2
   [14C]O[18O](g)  -18.08    -19.86   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.22    -72.51   -2.29  [18O]2
+  [18O]2(g)       -69.96    -72.25   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -17148,14 +17178,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.69    -16.55   -2.86  CH4
+  CH4(g)          -14.22    -17.08   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.49    -12.64   -3.15  H2
+  H2(g)            -9.62    -12.77   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.22    -67.11   -2.89  O2
-  O[18O](g)       -66.92    -69.81   -2.89  O[18O]
+  O2(g)           -63.95    -66.85   -2.89  O2
+  O[18O](g)       -66.65    -69.55   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -17270,14 +17300,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    4.4409e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5252e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6076e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    5.3291e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -3.1086e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.3212e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -17295,16 +17325,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.243      Adjusted to redox equilibrium
+                                       pe  =  -2.211      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 128 (229 overall)
+                               Iterations  =  64 (165 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -17316,15 +17346,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.708e-17
-   CH4             2.708e-17   2.712e-17   -16.567   -16.567     0.001     (0)  
+C(-4)         1.490e-17
+   CH4             1.490e-17   1.493e-17   -16.827   -16.826     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -17332,9 +17362,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -17342,50 +17372,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.581e-13
-   H2              2.290e-13   2.294e-13   -12.640   -12.639     0.001     (0)  
+H(0)          3.945e-13
+   H2              1.973e-13   1.976e-13   -12.705   -12.704     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.104   -67.103     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.503   -69.502     0.001     (0)  
-[13C](-4)     3.001e-19
-   [13C]H4         3.001e-19   3.006e-19   -18.523   -18.522     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.974   -66.973     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.373   -69.372     0.001     (0)  
+[13C](-4)     1.652e-19
+   [13C]H4         1.652e-19   1.654e-19   -18.782   -18.781     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.105e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.712e-31
-   [14C]H4         1.712e-31   1.714e-31   -30.767   -30.766     0.001     (0)  
+[14C](-4)     9.419e-32
+   [14C]H4         9.419e-32   9.435e-32   -31.026   -31.025     0.001     (0)  
 [14C](4)      3.745e-17
    H[14C]O3-       3.025e-17   2.768e-17   -16.519   -16.558    -0.039     (0)  
    [14C]O2         6.295e-18   6.305e-18   -17.201   -17.200     0.001     (0)  
    CaH[14C]O3+     6.388e-19   5.860e-19   -18.195   -18.232    -0.037     (0)  
-   H[14C]O2[18O]-   6.036e-20   5.522e-20   -19.219   -19.258    -0.039     (0)  
-   H[14C]O[18O]O-   6.036e-20   5.522e-20   -19.219   -19.258    -0.039     (0)  
    H[14C][18O]O2-   6.036e-20   5.522e-20   -19.219   -19.258    -0.039     (0)  
+   H[14C]O[18O]O-   6.036e-20   5.522e-20   -19.219   -19.258    -0.039     (0)  
+   H[14C]O2[18O]-   6.036e-20   5.522e-20   -19.219   -19.258    -0.039     (0)  
    Ca[14C]O3       3.502e-20   3.508e-20   -19.456   -19.455     0.001     (0)  
    [14C]O[18O]     2.618e-20   2.622e-20   -19.582   -19.581     0.001     (0)  
    [14C]O3-2       1.796e-20   1.258e-20   -19.746   -19.900    -0.155     (0)  
    CaH[14C]O2[18O]+   1.275e-21   1.169e-21   -20.895   -20.932    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.275e-21   1.169e-21   -20.895   -20.932    -0.037     (0)  
    CaH[14C][18O]O2+   1.275e-21   1.169e-21   -20.895   -20.932    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.275e-21   1.169e-21   -20.895   -20.932    -0.037     (0)  
    Ca[14C]O2[18O]   2.096e-22   2.100e-22   -21.679   -21.678     0.001     (0)  
    H[14C]O[18O]2-   1.204e-22   1.102e-22   -21.919   -21.958    -0.039     (0)  
    H[14C][18O]2O-   1.204e-22   1.102e-22   -21.919   -21.958    -0.039     (0)  
@@ -17394,29 +17424,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.503   -69.502     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.504   -72.503     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.373   -69.372     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.374   -72.373     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.66    -18.52   -2.86  [13C]H4
+  [13C]H4(g)      -15.92    -18.78   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.10    -22.60   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.91    -30.77   -2.86  [14C]H4
+  [14C]H4(g)      -28.17    -31.03   -2.86  [14C]H4
   [14C]O2(g)      -15.73    -17.20   -1.47  [14C]O2
   [14C]O[18O](g)  -18.11    -19.90   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.21    -72.50   -2.29  [18O]2
+  [18O]2(g)       -70.08    -72.37   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -17430,14 +17460,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.71    -16.57   -2.86  CH4
+  CH4(g)          -13.97    -16.83   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.49    -12.64   -3.15  H2
+  H2(g)            -9.55    -12.70   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.21    -67.10   -2.89  O2
-  O[18O](g)       -66.91    -69.80   -2.89  O[18O]
+  O2(g)           -64.08    -66.97   -2.89  O2
+  O[18O](g)       -66.78    -69.67   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -17546,14 +17576,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6285e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6371e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -6.2172e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1             0             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    5.9952e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -17571,16 +17601,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.272      Adjusted to redox equilibrium
+                                       pe  =  -2.238      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 100
+                               Iterations  =  99
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -17592,25 +17622,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.638e-17
-   CH4             4.638e-17   4.646e-17   -16.334   -16.333     0.001     (0)  
+C(-4)         2.453e-17
+   CH4             2.453e-17   2.457e-17   -16.610   -16.610     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -17618,23 +17648,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.240e-13
-   H2              2.620e-13   2.624e-13   -12.582   -12.581     0.001     (0)  
+H(0)          4.469e-13
+   H2              2.234e-13   2.238e-13   -12.651   -12.650     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.221   -67.220     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.620   -69.619     0.001     (0)  
-[13C](-4)     5.141e-19
-   [13C]H4         5.141e-19   5.149e-19   -18.289   -18.288     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.082   -67.082     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.481   -69.480     0.001     (0)  
+[13C](-4)     2.719e-19
+   [13C]H4         2.719e-19   2.723e-19   -18.566   -18.565     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.598e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.589e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -17643,56 +17673,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.215e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.701e-31
-   [14C]H4         2.701e-31   2.705e-31   -30.568   -30.568     0.001     (0)  
+[14C](-4)     1.429e-31
+   [14C]H4         1.429e-31   1.431e-31   -30.845   -30.844     0.001     (0)  
 [14C](4)      3.450e-17
    H[14C]O3-       2.787e-17   2.550e-17   -16.555   -16.594    -0.039     (0)  
    [14C]O2         5.799e-18   5.808e-18   -17.237   -17.236     0.001     (0)  
    CaH[14C]O3+     5.885e-19   5.398e-19   -18.230   -18.268    -0.037     (0)  
-   H[14C]O2[18O]-   5.560e-20   5.087e-20   -19.255   -19.294    -0.039     (0)  
-   H[14C]O[18O]O-   5.560e-20   5.087e-20   -19.255   -19.294    -0.039     (0)  
    H[14C][18O]O2-   5.560e-20   5.087e-20   -19.255   -19.294    -0.039     (0)  
+   H[14C]O[18O]O-   5.560e-20   5.087e-20   -19.255   -19.294    -0.039     (0)  
+   H[14C]O2[18O]-   5.560e-20   5.087e-20   -19.255   -19.294    -0.039     (0)  
    Ca[14C]O3       3.226e-20   3.231e-20   -19.491   -19.491     0.001     (0)  
    [14C]O[18O]     2.411e-20   2.415e-20   -19.618   -19.617     0.001     (0)  
    [14C]O3-2       1.655e-20   1.159e-20   -19.781   -19.936    -0.155     (0)  
    CaH[14C]O2[18O]+   1.174e-21   1.077e-21   -20.930   -20.968    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.174e-21   1.077e-21   -20.930   -20.968    -0.037     (0)  
    CaH[14C][18O]O2+   1.174e-21   1.077e-21   -20.930   -20.968    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.174e-21   1.077e-21   -20.930   -20.968    -0.037     (0)  
    Ca[14C]O2[18O]   1.931e-22   1.934e-22   -21.714   -21.714     0.001     (0)  
-   H[14C]O[18O]2-   1.109e-22   1.015e-22   -21.955   -21.994    -0.039     (0)  
    H[14C][18O]2O-   1.109e-22   1.015e-22   -21.955   -21.994    -0.039     (0)  
    H[14C][18O]O[18O]-   1.109e-22   1.015e-22   -21.955   -21.994    -0.039     (0)  
+   H[14C]O[18O]2-   1.109e-22   1.015e-22   -21.955   -21.994    -0.039     (0)  
    [14C]O2[18O]-2   9.906e-23   6.939e-23   -22.004   -22.159    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.620   -69.619     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.621   -72.620     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.481   -69.480     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.482   -72.482     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.43    -18.29   -2.86  [13C]H4
+  [13C]H4(g)      -15.70    -18.56   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.13    -22.64   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.71    -30.57   -2.86  [14C]H4
+  [14C]H4(g)      -27.98    -30.84   -2.86  [14C]H4
   [14C]O2(g)      -15.77    -17.24   -1.47  [14C]O2
   [14C]O[18O](g)  -18.15    -19.94   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.33    -72.62   -2.29  [18O]2
+  [18O]2(g)       -70.19    -72.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -17706,14 +17736,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.47    -16.33   -2.86  CH4
+  CH4(g)          -13.75    -16.61   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.43    -12.58   -3.15  H2
+  H2(g)            -9.50    -12.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.33    -67.22   -2.89  O2
-  O[18O](g)       -67.03    -69.92   -2.89  O[18O]
+  O2(g)           -64.19    -67.08   -2.89  O2
+  O[18O](g)       -66.89    -69.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -17828,14 +17858,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6535e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7274e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.4211e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -4.2188e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -6.8834e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -9.1038e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -17853,16 +17883,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.275      Adjusted to redox equilibrium
+                                       pe  =  -2.242      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  78 (179 overall)
+                               Iterations  =  97 (198 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -17874,15 +17904,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.914e-17
-   CH4             4.914e-17   4.923e-17   -16.309   -16.308     0.001     (0)  
+C(-4)         2.640e-17
+   CH4             2.640e-17   2.644e-17   -16.578   -16.578     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -17890,9 +17920,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -17900,81 +17930,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.317e-13
-   H2              2.658e-13   2.663e-13   -12.575   -12.575     0.001     (0)  
+H(0)          4.551e-13
+   H2              2.276e-13   2.279e-13   -12.643   -12.642     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.233   -67.232     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.632   -69.631     0.001     (0)  
-[13C](-4)     5.447e-19
-   [13C]H4         5.447e-19   5.456e-19   -18.264   -18.263     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.098   -67.097     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.497   -69.496     0.001     (0)  
+[13C](-4)     2.926e-19
+   [13C]H4         2.926e-19   2.931e-19   -18.534   -18.533     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.258e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.636e-31
-   [14C]H4         2.636e-31   2.641e-31   -30.579   -30.578     0.001     (0)  
+[14C](-4)     1.416e-31
+   [14C]H4         1.416e-31   1.418e-31   -30.849   -30.848     0.001     (0)  
 [14C](4)      3.178e-17
    H[14C]O3-       2.567e-17   2.349e-17   -16.591   -16.629    -0.039     (0)  
    [14C]O2         5.342e-18   5.351e-18   -17.272   -17.272     0.001     (0)  
    CaH[14C]O3+     5.421e-19   4.973e-19   -18.266   -18.303    -0.037     (0)  
-   H[14C]O2[18O]-   5.122e-20   4.686e-20   -19.291   -19.329    -0.039     (0)  
-   H[14C]O[18O]O-   5.122e-20   4.686e-20   -19.291   -19.329    -0.039     (0)  
    H[14C][18O]O2-   5.122e-20   4.686e-20   -19.291   -19.329    -0.039     (0)  
+   H[14C]O[18O]O-   5.122e-20   4.686e-20   -19.291   -19.329    -0.039     (0)  
+   H[14C]O2[18O]-   5.122e-20   4.686e-20   -19.291   -19.329    -0.039     (0)  
    Ca[14C]O3       2.972e-20   2.977e-20   -19.527   -19.526     0.001     (0)  
    [14C]O[18O]     2.221e-20   2.225e-20   -19.653   -19.653     0.001     (0)  
    [14C]O3-2       1.525e-20   1.068e-20   -19.817   -19.971    -0.155     (0)  
    CaH[14C]O2[18O]+   1.082e-21   9.922e-22   -20.966   -21.003    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.082e-21   9.922e-22   -20.966   -21.003    -0.037     (0)  
    CaH[14C][18O]O2+   1.082e-21   9.922e-22   -20.966   -21.003    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.082e-21   9.922e-22   -20.966   -21.003    -0.037     (0)  
    Ca[14C]O2[18O]   1.779e-22   1.782e-22   -21.750   -21.749     0.001     (0)  
+   H[14C][18O]O[18O]-   1.022e-22   9.350e-23   -21.991   -22.029    -0.039     (0)  
    H[14C]O[18O]2-   1.022e-22   9.350e-23   -21.991   -22.029    -0.039     (0)  
    H[14C][18O]2O-   1.022e-22   9.350e-23   -21.991   -22.029    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.022e-22   9.350e-23   -21.991   -22.029    -0.039     (0)  
    [14C]O2[18O]-2   9.125e-23   6.393e-23   -22.040   -22.194    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.632   -69.631     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.633   -72.632     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.497   -69.496     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.498   -72.497     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.40    -18.26   -2.86  [13C]H4
+  [13C]H4(g)      -15.67    -18.53   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.17    -22.67   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.72    -30.58   -2.86  [14C]H4
+  [14C]H4(g)      -27.99    -30.85   -2.86  [14C]H4
   [14C]O2(g)      -15.80    -17.27   -1.47  [14C]O2
   [14C]O[18O](g)  -18.18    -19.97   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.34    -72.63   -2.29  [18O]2
+  [18O]2(g)       -70.21    -72.50   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -17988,14 +18018,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.45    -16.31   -2.86  CH4
+  CH4(g)          -13.72    -16.58   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.42    -12.57   -3.15  H2
+  H2(g)            -9.49    -12.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.34    -67.23   -2.89  O2
-  O[18O](g)       -67.04    -69.93   -2.89  O[18O]
+  O2(g)           -64.21    -67.10   -2.89  O2
+  O[18O](g)       -66.91    -69.80   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -18019,6 +18049,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 71.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -18104,14 +18140,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.9936e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7574e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6915e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.5321e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    8.8818e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3101e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    8.8818e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -18129,16 +18165,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.265      Adjusted to redox equilibrium
+                                       pe  =  -2.215      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  76
+                               Iterations  =  71 (172 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -18150,25 +18186,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.078e-17
-   CH4             4.078e-17   4.085e-17   -16.390   -16.389     0.001     (0)  
+C(-4)         1.623e-17
+   CH4             1.623e-17   1.626e-17   -16.790   -16.789     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -18176,50 +18212,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.074e-13
-   H2              2.537e-13   2.541e-13   -12.596   -12.595     0.001     (0)  
+H(0)          4.031e-13
+   H2              2.015e-13   2.019e-13   -12.696   -12.695     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.193   -67.192     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.592   -69.591     0.001     (0)  
-[13C](-4)     4.520e-19
-   [13C]H4         4.520e-19   4.528e-19   -18.345   -18.344     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.993   -66.992     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.392   -69.391     0.001     (0)  
+[13C](-4)     1.799e-19
+   [13C]H4         1.799e-19   1.802e-19   -18.745   -18.744     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.016e-31
-   [14C]H4         2.016e-31   2.019e-31   -30.696   -30.695     0.001     (0)  
+[14C](-4)     8.022e-32
+   [14C]H4         8.022e-32   8.035e-32   -31.096   -31.095     0.001     (0)  
 [14C](4)      2.928e-17
    H[14C]O3-       2.365e-17   2.164e-17   -16.626   -16.665    -0.039     (0)  
    [14C]O2         4.921e-18   4.929e-18   -17.308   -17.307     0.001     (0)  
    CaH[14C]O3+     4.994e-19   4.581e-19   -18.302   -18.339    -0.037     (0)  
-   H[14C]O2[18O]-   4.719e-20   4.317e-20   -19.326   -19.365    -0.039     (0)  
-   H[14C]O[18O]O-   4.719e-20   4.317e-20   -19.326   -19.365    -0.039     (0)  
    H[14C][18O]O2-   4.719e-20   4.317e-20   -19.326   -19.365    -0.039     (0)  
+   H[14C]O[18O]O-   4.719e-20   4.317e-20   -19.326   -19.365    -0.039     (0)  
+   H[14C]O2[18O]-   4.719e-20   4.317e-20   -19.326   -19.365    -0.039     (0)  
    Ca[14C]O3       2.738e-20   2.742e-20   -19.563   -19.562     0.001     (0)  
    [14C]O[18O]     2.046e-20   2.050e-20   -19.689   -19.688     0.001     (0)  
    [14C]O3-2       1.404e-20   9.839e-21   -19.852   -20.007    -0.155     (0)  
    CaH[14C]O2[18O]+   9.964e-22   9.141e-22   -21.002   -21.039    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.964e-22   9.141e-22   -21.002   -21.039    -0.037     (0)  
    CaH[14C][18O]O2+   9.964e-22   9.141e-22   -21.002   -21.039    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.964e-22   9.141e-22   -21.002   -21.039    -0.037     (0)  
    Ca[14C]O2[18O]   1.639e-22   1.641e-22   -21.785   -21.785     0.001     (0)  
    H[14C]O[18O]2-   9.415e-23   8.613e-23   -22.026   -22.065    -0.039     (0)  
    H[14C][18O]2O-   9.415e-23   8.613e-23   -22.026   -22.065    -0.039     (0)  
@@ -18228,29 +18264,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.592   -69.591     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.593   -72.592     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.392   -69.391     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.393   -72.392     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.48    -18.34   -2.86  [13C]H4
+  [13C]H4(g)      -15.88    -18.74   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.20    -22.71   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.83    -30.69   -2.86  [14C]H4
+  [14C]H4(g)      -28.23    -31.09   -2.86  [14C]H4
   [14C]O2(g)      -15.84    -17.31   -1.47  [14C]O2
   [14C]O[18O](g)  -18.22    -20.01   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.30    -72.59   -2.29  [18O]2
+  [18O]2(g)       -70.10    -72.39   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -18264,14 +18300,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.53    -16.39   -2.86  CH4
+  CH4(g)          -13.93    -16.79   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.44    -12.59   -3.15  H2
+  H2(g)            -9.54    -12.69   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.30    -67.19   -2.89  O2
-  O[18O](g)       -67.00    -69.89   -2.89  O[18O]
+  O2(g)           -64.10    -66.99   -2.89  O2
+  O[18O](g)       -66.80    -69.69   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -18386,14 +18422,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -8.4377e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6239e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5591e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -2.7756e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -2.9976e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1102e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    -9.992e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -18411,16 +18447,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.259      Adjusted to redox equilibrium
+                                       pe  =  -2.199      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  69 (170 overall)
+                               Iterations  = 151 (252 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -18432,14 +18468,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.600e-17
-   CH4             3.600e-17   3.606e-17   -16.444   -16.443     0.001     (0)  
+C(-4)         1.198e-17
+   CH4             1.198e-17   1.200e-17   -16.921   -16.921     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -18448,9 +18484,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -18458,23 +18494,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.919e-13
-   H2              2.459e-13   2.463e-13   -12.609   -12.608     0.001     (0)  
+H(0)          3.736e-13
+   H2              1.868e-13   1.871e-13   -12.729   -12.728     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.166   -67.165     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.565   -69.564     0.001     (0)  
-[13C](-4)     3.990e-19
-   [13C]H4         3.990e-19   3.997e-19   -18.399   -18.398     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.927   -66.926     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.326   -69.325     0.001     (0)  
+[13C](-4)     1.328e-19
+   [13C]H4         1.328e-19   1.330e-19   -18.877   -18.876     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -18483,56 +18519,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.639e-31
-   [14C]H4         1.639e-31   1.642e-31   -30.785   -30.785     0.001     (0)  
+[14C](-4)     5.455e-32
+   [14C]H4         5.455e-32   5.464e-32   -31.263   -31.262     0.001     (0)  
 [14C](4)      2.697e-17
    H[14C]O3-       2.179e-17   1.993e-17   -16.662   -16.700    -0.039     (0)  
    [14C]O2         4.534e-18   4.541e-18   -17.344   -17.343     0.001     (0)  
    CaH[14C]O3+     4.601e-19   4.220e-19   -18.337   -18.375    -0.037     (0)  
-   H[14C]O2[18O]-   4.347e-20   3.977e-20   -19.362   -19.400    -0.039     (0)  
-   H[14C]O[18O]O-   4.347e-20   3.977e-20   -19.362   -19.400    -0.039     (0)  
    H[14C][18O]O2-   4.347e-20   3.977e-20   -19.362   -19.400    -0.039     (0)  
+   H[14C]O[18O]O-   4.347e-20   3.977e-20   -19.362   -19.400    -0.039     (0)  
+   H[14C]O2[18O]-   4.347e-20   3.977e-20   -19.362   -19.400    -0.039     (0)  
    Ca[14C]O3       2.522e-20   2.526e-20   -19.598   -19.598     0.001     (0)  
    [14C]O[18O]     1.885e-20   1.888e-20   -19.725   -19.724     0.001     (0)  
    [14C]O3-2       1.294e-20   9.064e-21   -19.888   -20.043    -0.155     (0)  
    CaH[14C]O2[18O]+   9.180e-22   8.421e-22   -21.037   -21.075    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.180e-22   8.421e-22   -21.037   -21.075    -0.037     (0)  
    CaH[14C][18O]O2+   9.180e-22   8.421e-22   -21.037   -21.075    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.180e-22   8.421e-22   -21.037   -21.075    -0.037     (0)  
    Ca[14C]O2[18O]   1.510e-22   1.512e-22   -21.821   -21.820     0.001     (0)  
-   H[14C]O[18O]2-   8.673e-23   7.935e-23   -22.062   -22.100    -0.039     (0)  
    H[14C][18O]2O-   8.673e-23   7.935e-23   -22.062   -22.100    -0.039     (0)  
    H[14C][18O]O[18O]-   8.673e-23   7.935e-23   -22.062   -22.100    -0.039     (0)  
+   H[14C]O[18O]2-   8.673e-23   7.935e-23   -22.062   -22.100    -0.039     (0)  
    [14C]O2[18O]-2   7.744e-23   5.425e-23   -22.111   -22.266    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.565   -69.564     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.566   -72.565     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.326   -69.325     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.327   -72.326     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.54    -18.40   -2.86  [13C]H4
+  [13C]H4(g)      -16.02    -18.88   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.24    -22.74   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.92    -30.78   -2.86  [14C]H4
+  [14C]H4(g)      -28.40    -31.26   -2.86  [14C]H4
   [14C]O2(g)      -15.87    -17.34   -1.47  [14C]O2
   [14C]O[18O](g)  -18.26    -20.04   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.27    -72.56   -2.29  [18O]2
+  [18O]2(g)       -70.04    -72.33   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -18546,14 +18582,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.58    -16.44   -2.86  CH4
+  CH4(g)          -14.06    -16.92   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.46    -12.61   -3.15  H2
+  H2(g)            -9.58    -12.73   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.27    -67.16   -2.89  O2
-  O[18O](g)       -66.97    -69.86   -2.89  O[18O]
+  O2(g)           -64.03    -66.93   -2.89  O2
+  O[18O](g)       -66.73    -69.63   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -18668,14 +18704,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.8842e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
 Alpha 18O CO3-2/H2O(l)                            1   -1.5529e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    9.3259e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -3.2196e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     -9.77e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -18693,16 +18729,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.247      Adjusted to redox equilibrium
+                                       pe  =  -2.165      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 117 (218 overall)
+                               Iterations  =  98 (199 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -18714,25 +18750,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.910e-17
-   CH4             2.910e-17   2.915e-17   -16.536   -16.535     0.001     (0)  
+C(-4)         6.407e-18
+   CH4             6.407e-18   6.417e-18   -17.193   -17.193     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -18740,81 +18776,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.664e-13
-   H2              2.332e-13   2.336e-13   -12.632   -12.632     0.001     (0)  
+H(0)          3.195e-13
+   H2              1.597e-13   1.600e-13   -12.797   -12.796     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.119   -67.119     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.518   -69.518     0.001     (0)  
-[13C](-4)     3.226e-19
-   [13C]H4         3.226e-19   3.231e-19   -18.491   -18.491     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.791   -66.790     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.190   -69.189     0.001     (0)  
+[13C](-4)     7.101e-20
+   [13C]H4         7.101e-20   7.113e-20   -19.149   -19.148     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.221e-31
-   [14C]H4         1.221e-31   1.223e-31   -30.913   -30.913     0.001     (0)  
+[14C](-4)     2.687e-32
+   [14C]H4         2.687e-32   2.691e-32   -31.571   -31.570     0.001     (0)  
 [14C](4)      2.485e-17
    H[14C]O3-       2.007e-17   1.836e-17   -16.697   -16.736    -0.039     (0)  
    [14C]O2         4.176e-18   4.183e-18   -17.379   -17.378     0.001     (0)  
    CaH[14C]O3+     4.238e-19   3.888e-19   -18.373   -18.410    -0.037     (0)  
-   H[14C]O2[18O]-   4.005e-20   3.664e-20   -19.397   -19.436    -0.039     (0)  
-   H[14C]O[18O]O-   4.005e-20   3.664e-20   -19.397   -19.436    -0.039     (0)  
    H[14C][18O]O2-   4.005e-20   3.664e-20   -19.397   -19.436    -0.039     (0)  
+   H[14C]O[18O]O-   4.005e-20   3.664e-20   -19.397   -19.436    -0.039     (0)  
+   H[14C]O2[18O]-   4.005e-20   3.664e-20   -19.397   -19.436    -0.039     (0)  
    Ca[14C]O3       2.324e-20   2.327e-20   -19.634   -19.633     0.001     (0)  
    [14C]O[18O]     1.737e-20   1.740e-20   -19.760   -19.760     0.001     (0)  
    [14C]O3-2       1.192e-20   8.350e-21   -19.924   -20.078    -0.155     (0)  
    CaH[14C]O2[18O]+   8.456e-22   7.757e-22   -21.073   -21.110    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.456e-22   7.757e-22   -21.073   -21.110    -0.037     (0)  
    CaH[14C][18O]O2+   8.456e-22   7.757e-22   -21.073   -21.110    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.456e-22   7.757e-22   -21.073   -21.110    -0.037     (0)  
    Ca[14C]O2[18O]   1.391e-22   1.393e-22   -21.857   -21.856     0.001     (0)  
+   H[14C][18O]O[18O]-   7.990e-23   7.310e-23   -22.097   -22.136    -0.039     (0)  
    H[14C]O[18O]2-   7.990e-23   7.310e-23   -22.097   -22.136    -0.039     (0)  
    H[14C][18O]2O-   7.990e-23   7.310e-23   -22.097   -22.136    -0.039     (0)  
-   H[14C][18O]O[18O]-   7.990e-23   7.310e-23   -22.097   -22.136    -0.039     (0)  
    [14C]O2[18O]-2   7.134e-23   4.998e-23   -22.147   -22.301    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.518   -69.518     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.519   -72.519     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.190   -69.189     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.191   -72.190     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.63    -18.49   -2.86  [13C]H4
+  [13C]H4(g)      -16.29    -19.15   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.27    -22.78   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.05    -30.91   -2.86  [14C]H4
+  [14C]H4(g)      -28.71    -31.57   -2.86  [14C]H4
   [14C]O2(g)      -15.91    -17.38   -1.47  [14C]O2
   [14C]O[18O](g)  -18.29    -20.08   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.23    -72.52   -2.29  [18O]2
+  [18O]2(g)       -69.90    -72.19   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -18828,14 +18864,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.68    -16.54   -2.86  CH4
+  CH4(g)          -14.33    -17.19   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.48    -12.63   -3.15  H2
+  H2(g)            -9.65    -12.80   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.23    -67.12   -2.89  O2
-  O[18O](g)       -66.93    -69.82   -2.89  O[18O]
+  O2(g)           -63.90    -66.79   -2.89  O2
+  O[18O](g)       -66.60    -69.49   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -18950,14 +18986,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7137e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6414e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -5.218e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.7319e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2212e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.8874e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -18975,16 +19011,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.273      Adjusted to redox equilibrium
+                                       pe  =  -2.176      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 128 (229 overall)
+                               Iterations  = 112 (213 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -18996,15 +19032,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.715e-17
-   CH4             4.715e-17   4.723e-17   -16.326   -16.326     0.001     (0)  
+C(-4)         7.947e-18
+   CH4             7.947e-18   7.960e-18   -17.100   -17.099     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -19012,9 +19048,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -19022,50 +19058,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.262e-13
-   H2              2.631e-13   2.635e-13   -12.580   -12.579     0.001     (0)  
+H(0)          3.371e-13
+   H2              1.686e-13   1.688e-13   -12.773   -12.772     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.224   -67.223     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.623   -69.622     0.001     (0)  
-[13C](-4)     5.227e-19
-   [13C]H4         5.227e-19   5.235e-19   -18.282   -18.281     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.837   -66.837     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.236   -69.236     0.001     (0)  
+[13C](-4)     8.809e-20
+   [13C]H4         8.809e-20   8.823e-20   -19.055   -19.054     0.001     (0)  
 [13C](4)      6.519e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.955    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.822e-31
-   [14C]H4         1.822e-31   1.825e-31   -30.739   -30.739     0.001     (0)  
+[14C](-4)     3.071e-32
+   [14C]H4         3.071e-32   3.076e-32   -31.513   -31.512     0.001     (0)  
 [14C](4)      2.289e-17
    H[14C]O3-       1.849e-17   1.692e-17   -16.733   -16.772    -0.039     (0)  
    [14C]O2         3.847e-18   3.854e-18   -17.415   -17.414     0.001     (0)  
    CaH[14C]O3+     3.905e-19   3.582e-19   -18.408   -18.446    -0.037     (0)  
-   H[14C]O2[18O]-   3.689e-20   3.375e-20   -19.433   -19.472    -0.039     (0)  
-   H[14C]O[18O]O-   3.689e-20   3.375e-20   -19.433   -19.472    -0.039     (0)  
    H[14C][18O]O2-   3.689e-20   3.375e-20   -19.433   -19.472    -0.039     (0)  
+   H[14C]O[18O]O-   3.689e-20   3.375e-20   -19.433   -19.472    -0.039     (0)  
+   H[14C]O2[18O]-   3.689e-20   3.375e-20   -19.433   -19.472    -0.039     (0)  
    Ca[14C]O3       2.140e-20   2.144e-20   -19.669   -19.669     0.001     (0)  
    [14C]O[18O]     1.600e-20   1.603e-20   -19.796   -19.795     0.001     (0)  
    [14C]O3-2       1.098e-20   7.692e-21   -19.959   -20.114    -0.155     (0)  
    CaH[14C]O2[18O]+   7.790e-22   7.146e-22   -21.108   -21.146    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.790e-22   7.146e-22   -21.108   -21.146    -0.037     (0)  
    CaH[14C][18O]O2+   7.790e-22   7.146e-22   -21.108   -21.146    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.790e-22   7.146e-22   -21.108   -21.146    -0.037     (0)  
    Ca[14C]O2[18O]   1.281e-22   1.283e-22   -21.892   -21.892     0.001     (0)  
    H[14C]O[18O]2-   7.361e-23   6.734e-23   -22.133   -22.172    -0.039     (0)  
    H[14C][18O]2O-   7.361e-23   6.734e-23   -22.133   -22.172    -0.039     (0)  
@@ -19074,29 +19110,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.623   -69.622     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.624   -72.623     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.236   -69.236     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.238   -72.237     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.42    -18.28   -2.86  [13C]H4
+  [13C]H4(g)      -16.19    -19.05   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.31    -22.81   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.88    -30.74   -2.86  [14C]H4
+  [14C]H4(g)      -28.65    -31.51   -2.86  [14C]H4
   [14C]O2(g)      -15.95    -17.41   -1.47  [14C]O2
   [14C]O[18O](g)  -18.33    -20.11   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.33    -72.62   -2.29  [18O]2
+  [18O]2(g)       -69.95    -72.24   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -19110,14 +19146,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.47    -16.33   -2.86  CH4
+  CH4(g)          -14.24    -17.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.43    -12.58   -3.15  H2
+  H2(g)            -9.62    -12.77   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.33    -67.22   -2.89  O2
-  O[18O](g)       -67.03    -69.92   -2.89  O[18O]
+  O2(g)           -63.94    -66.84   -2.89  O2
+  O[18O](g)       -66.64    -69.54   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -19141,12 +19177,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 75.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -19232,14 +19262,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6207e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.584e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2101e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.7764e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -8.8818e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1102e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -19257,16 +19287,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.289      Adjusted to redox equilibrium
+                                       pe  =  -2.201      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  52 (153 overall)
+                               Iterations  =  73
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -19278,25 +19308,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         6.330e-17
-   CH4             6.330e-17   6.341e-17   -16.199   -16.198     0.001     (0)  
+C(-4)         1.254e-17
+   CH4             1.254e-17   1.256e-17   -16.902   -16.901     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -19304,23 +19334,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.664e-13
-   H2              2.832e-13   2.837e-13   -12.548   -12.547     0.001     (0)  
+H(0)          3.779e-13
+   H2              1.889e-13   1.892e-13   -12.724   -12.723     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.288   -67.287     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.687   -69.686     0.001     (0)  
-[13C](-4)     7.017e-19
-   [13C]H4         7.017e-19   7.028e-19   -18.154   -18.153     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.937   -66.936     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.336   -69.335     0.001     (0)  
+[13C](-4)     1.390e-19
+   [13C]H4         1.390e-19   1.392e-19   -18.857   -18.856     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
@@ -19329,56 +19359,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.253e-31
-   [14C]H4         2.253e-31   2.257e-31   -30.647   -30.646     0.001     (0)  
+[14C](-4)     4.464e-32
+   [14C]H4         4.464e-32   4.471e-32   -31.350   -31.350     0.001     (0)  
 [14C](4)      2.109e-17
    H[14C]O3-       1.703e-17   1.558e-17   -16.769   -16.807    -0.039     (0)  
    [14C]O2         3.544e-18   3.550e-18   -17.450   -17.450     0.001     (0)  
    CaH[14C]O3+     3.597e-19   3.300e-19   -18.444   -18.482    -0.037     (0)  
-   H[14C]O2[18O]-   3.399e-20   3.109e-20   -19.469   -19.507    -0.039     (0)  
-   H[14C]O[18O]O-   3.399e-20   3.109e-20   -19.469   -19.507    -0.039     (0)  
    H[14C][18O]O2-   3.399e-20   3.109e-20   -19.469   -19.507    -0.039     (0)  
+   H[14C]O[18O]O-   3.399e-20   3.109e-20   -19.469   -19.507    -0.039     (0)  
+   H[14C]O2[18O]-   3.399e-20   3.109e-20   -19.469   -19.507    -0.039     (0)  
    Ca[14C]O3       1.972e-20   1.975e-20   -19.705   -19.704     0.001     (0)  
    [14C]O[18O]     1.474e-20   1.476e-20   -19.832   -19.831     0.001     (0)  
    [14C]O3-2       1.012e-20   7.086e-21   -19.995   -20.150    -0.155     (0)  
    CaH[14C]O2[18O]+   7.177e-22   6.583e-22   -21.144   -21.182    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.177e-22   6.583e-22   -21.144   -21.182    -0.037     (0)  
    CaH[14C][18O]O2+   7.177e-22   6.583e-22   -21.144   -21.182    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.177e-22   6.583e-22   -21.144   -21.182    -0.037     (0)  
    Ca[14C]O2[18O]   1.180e-22   1.182e-22   -21.928   -21.927     0.001     (0)  
-   H[14C]O[18O]2-   6.781e-23   6.204e-23   -22.169   -22.207    -0.039     (0)  
    H[14C][18O]2O-   6.781e-23   6.204e-23   -22.169   -22.207    -0.039     (0)  
    H[14C][18O]O[18O]-   6.781e-23   6.204e-23   -22.169   -22.207    -0.039     (0)  
+   H[14C]O[18O]2-   6.781e-23   6.204e-23   -22.169   -22.207    -0.039     (0)  
    [14C]O2[18O]-2   6.055e-23   4.242e-23   -22.218   -22.372    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.687   -69.686     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.688   -72.687     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.336   -69.335     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.337   -72.336     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.29    -18.15   -2.86  [13C]H4
+  [13C]H4(g)      -16.00    -18.86   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.35    -22.85   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.79    -30.65   -2.86  [14C]H4
+  [14C]H4(g)      -28.49    -31.35   -2.86  [14C]H4
   [14C]O2(g)      -15.98    -17.45   -1.47  [14C]O2
   [14C]O[18O](g)  -18.36    -20.15   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.40    -72.69   -2.29  [18O]2
+  [18O]2(g)       -70.05    -72.34   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -19392,14 +19422,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.34    -16.20   -2.86  CH4
+  CH4(g)          -14.04    -16.90   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.40    -12.55   -3.15  H2
+  H2(g)            -9.57    -12.72   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.40    -67.29   -2.89  O2
-  O[18O](g)       -67.10    -69.99   -2.89  O[18O]
+  O2(g)           -64.04    -66.94   -2.89  O2
+  O[18O](g)       -66.74    -69.64   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -19423,12 +19453,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 76.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -19514,14 +19538,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6571e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8248e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1102e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.1102e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     4.885e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -19539,16 +19563,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.300      Adjusted to redox equilibrium
+                                       pe  =  -2.202      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 107 (208 overall)
+                               Iterations  =  82
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -19560,15 +19584,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         7.700e-17
-   CH4             7.700e-17   7.713e-17   -16.114   -16.113     0.001     (0)  
+C(-4)         1.269e-17
+   CH4             1.269e-17   1.271e-17   -16.897   -16.896     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -19576,9 +19600,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -19586,81 +19610,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.948e-13
-   H2              2.974e-13   2.979e-13   -12.527   -12.526     0.001     (0)  
+H(0)          3.790e-13
+   H2              1.895e-13   1.898e-13   -12.722   -12.722     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.331   -67.330     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.730   -69.729     0.001     (0)  
-[13C](-4)     8.535e-19
-   [13C]H4         8.535e-19   8.549e-19   -18.069   -18.068     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.939   -66.938     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.338   -69.337     0.001     (0)  
+[13C](-4)     1.406e-19
+   [13C]H4         1.406e-19   1.409e-19   -18.852   -18.851     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.338     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.525e-31
-   [14C]H4         2.525e-31   2.529e-31   -30.598   -30.597     0.001     (0)  
+[14C](-4)     4.160e-32
+   [14C]H4         4.160e-32   4.167e-32   -31.381   -31.380     0.001     (0)  
 [14C](4)      1.943e-17
    H[14C]O3-       1.569e-17   1.436e-17   -16.804   -16.843    -0.039     (0)  
    [14C]O2         3.265e-18   3.271e-18   -17.486   -17.485     0.001     (0)  
    CaH[14C]O3+     3.314e-19   3.040e-19   -18.480   -18.517    -0.037     (0)  
-   H[14C]O2[18O]-   3.131e-20   2.864e-20   -19.504   -19.543    -0.039     (0)  
-   H[14C]O[18O]O-   3.131e-20   2.864e-20   -19.504   -19.543    -0.039     (0)  
    H[14C][18O]O2-   3.131e-20   2.864e-20   -19.504   -19.543    -0.039     (0)  
+   H[14C]O[18O]O-   3.131e-20   2.864e-20   -19.504   -19.543    -0.039     (0)  
+   H[14C]O2[18O]-   3.131e-20   2.864e-20   -19.504   -19.543    -0.039     (0)  
    Ca[14C]O3       1.817e-20   1.820e-20   -19.741   -19.740     0.001     (0)  
    [14C]O[18O]     1.358e-20   1.360e-20   -19.867   -19.866     0.001     (0)  
    [14C]O3-2       9.319e-21   6.528e-21   -20.031   -20.185    -0.155     (0)  
    CaH[14C]O2[18O]+   6.611e-22   6.065e-22   -21.180   -21.217    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.611e-22   6.065e-22   -21.180   -21.217    -0.037     (0)  
    CaH[14C][18O]O2+   6.611e-22   6.065e-22   -21.180   -21.217    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.611e-22   6.065e-22   -21.180   -21.217    -0.037     (0)  
    Ca[14C]O2[18O]   1.087e-22   1.089e-22   -21.964   -21.963     0.001     (0)  
+   H[14C][18O]O[18O]-   6.247e-23   5.715e-23   -22.204   -22.243    -0.039     (0)  
    H[14C]O[18O]2-   6.247e-23   5.715e-23   -22.204   -22.243    -0.039     (0)  
    H[14C][18O]2O-   6.247e-23   5.715e-23   -22.204   -22.243    -0.039     (0)  
-   H[14C][18O]O[18O]-   6.247e-23   5.715e-23   -22.204   -22.243    -0.039     (0)  
    [14C]O2[18O]-2   5.578e-23   3.907e-23   -22.254   -22.408    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.730   -69.729     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.731   -72.730     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.338   -69.337     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.339   -72.338     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.21    -18.07   -2.86  [13C]H4
+  [13C]H4(g)      -15.99    -18.85   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.38    -22.89   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.74    -30.60   -2.86  [14C]H4
+  [14C]H4(g)      -28.52    -31.38   -2.86  [14C]H4
   [14C]O2(g)      -16.02    -17.49   -1.47  [14C]O2
   [14C]O[18O](g)  -18.40    -20.19   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.44    -72.73   -2.29  [18O]2
+  [18O]2(g)       -70.05    -72.34   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -19674,14 +19698,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.25    -16.11   -2.86  CH4
+  CH4(g)          -14.04    -16.90   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.38    -12.53   -3.15  H2
+  H2(g)            -9.57    -12.72   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.44    -67.33   -2.89  O2
-  O[18O](g)       -67.14    -70.03   -2.89  O[18O]
+  O2(g)           -64.05    -66.94   -2.89  O2
+  O[18O](g)       -66.75    -69.64   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -19796,14 +19820,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5545e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5835e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -8.1046e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.0214e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -4.4409e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -4.3299e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -19821,16 +19845,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.319      Adjusted to redox equilibrium
+                                       pe  =  -2.245      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  60 (161 overall)
+                               Iterations  = 104 (205 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -19842,25 +19866,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.091e-16
-   CH4             1.091e-16   1.093e-16   -15.962   -15.962     0.001     (0)  
+C(-4)         2.810e-17
+   CH4             2.810e-17   2.815e-17   -16.551   -16.551     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -19868,50 +19892,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.489e-13
-   H2              3.245e-13   3.250e-13   -12.489   -12.488     0.001     (0)  
+H(0)          4.623e-13
+   H2              2.312e-13   2.315e-13   -12.636   -12.635     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.406   -67.406     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.805   -69.805     0.001     (0)  
-[13C](-4)     1.209e-18
-   [13C]H4         1.209e-18   1.211e-18   -17.918   -17.917     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.112   -67.111     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.511   -69.510     0.001     (0)  
+[13C](-4)     3.115e-19
+   [13C]H4         3.115e-19   3.120e-19   -18.507   -18.506     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.295e-31
-   [14C]H4         3.295e-31   3.300e-31   -30.482   -30.481     0.001     (0)  
+[14C](-4)     8.490e-32
+   [14C]H4         8.490e-32   8.504e-32   -31.071   -31.070     0.001     (0)  
 [14C](4)      1.790e-17
    H[14C]O3-       1.446e-17   1.323e-17   -16.840   -16.879    -0.039     (0)  
    [14C]O2         3.008e-18   3.013e-18   -17.522   -17.521     0.001     (0)  
    CaH[14C]O3+     3.053e-19   2.800e-19   -18.515   -18.553    -0.037     (0)  
-   H[14C]O2[18O]-   2.884e-20   2.639e-20   -19.540   -19.579    -0.039     (0)  
-   H[14C]O[18O]O-   2.884e-20   2.639e-20   -19.540   -19.579    -0.039     (0)  
    H[14C][18O]O2-   2.884e-20   2.639e-20   -19.540   -19.579    -0.039     (0)  
+   H[14C]O[18O]O-   2.884e-20   2.639e-20   -19.540   -19.579    -0.039     (0)  
+   H[14C]O2[18O]-   2.884e-20   2.639e-20   -19.540   -19.579    -0.039     (0)  
    Ca[14C]O3       1.673e-20   1.676e-20   -19.776   -19.776     0.001     (0)  
    [14C]O[18O]     1.251e-20   1.253e-20   -19.903   -19.902     0.001     (0)  
    [14C]O3-2       8.585e-21   6.014e-21   -20.066   -20.221    -0.155     (0)  
    CaH[14C]O2[18O]+   6.091e-22   5.587e-22   -21.215   -21.253    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.091e-22   5.587e-22   -21.215   -21.253    -0.037     (0)  
    CaH[14C][18O]O2+   6.091e-22   5.587e-22   -21.215   -21.253    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.091e-22   5.587e-22   -21.215   -21.253    -0.037     (0)  
    Ca[14C]O2[18O]   1.002e-22   1.003e-22   -21.999   -21.999     0.001     (0)  
    H[14C]O[18O]2-   5.755e-23   5.265e-23   -22.240   -22.279    -0.039     (0)  
    H[14C][18O]2O-   5.755e-23   5.265e-23   -22.240   -22.279    -0.039     (0)  
@@ -19920,29 +19944,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.805   -69.805     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.806   -72.806     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.511   -69.510     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.512   -72.511     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.06    -17.92   -2.86  [13C]H4
+  [13C]H4(g)      -15.65    -18.51   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.42    -22.92   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.62    -30.48   -2.86  [14C]H4
+  [14C]H4(g)      -28.21    -31.07   -2.86  [14C]H4
   [14C]O2(g)      -16.05    -17.52   -1.47  [14C]O2
   [14C]O[18O](g)  -18.43    -20.22   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.52    -72.81   -2.29  [18O]2
+  [18O]2(g)       -70.22    -72.51   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -19956,14 +19980,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.10    -15.96   -2.86  CH4
+  CH4(g)          -13.69    -16.55   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.34    -12.49   -3.15  H2
+  H2(g)            -9.49    -12.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.51    -67.41   -2.89  O2
-  O[18O](g)       -67.21    -70.11   -2.89  O[18O]
+  O2(g)           -64.22    -67.11   -2.89  O2
+  O[18O](g)       -66.92    -69.81   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -19987,12 +20011,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 78.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -20078,14 +20096,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5581e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6689e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    3.3307e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -7.7716e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -7.8826e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -20103,16 +20121,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.337      Adjusted to redox equilibrium
+                                       pe  =  -2.252      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.720e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 154 (255 overall)
+                               Iterations  =  84
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -20124,14 +20142,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.533e-16
-   CH4             1.533e-16   1.535e-16   -15.814   -15.814     0.001     (0)  
+C(-4)         3.205e-17
+   CH4             3.205e-17   3.210e-17   -16.494   -16.494     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -20140,9 +20158,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -20150,23 +20168,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.066e-13
-   H2              3.533e-13   3.539e-13   -12.452   -12.451     0.001     (0)  
+H(0)          4.778e-13
+   H2              2.389e-13   2.393e-13   -12.622   -12.621     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.480   -67.479     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.879   -69.878     0.001     (0)  
-[13C](-4)     1.699e-18
-   [13C]H4         1.699e-18   1.702e-18   -17.770   -17.769     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.140   -67.140     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.539   -69.539     0.001     (0)  
+[13C](-4)     3.552e-19
+   [13C]H4         3.552e-19   3.558e-19   -18.450   -18.449     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -20175,56 +20193,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     4.266e-31
-   [14C]H4         4.266e-31   4.273e-31   -30.370   -30.369     0.001     (0)  
+[14C](-4)     8.917e-32
+   [14C]H4         8.917e-32   8.932e-32   -31.050   -31.049     0.001     (0)  
 [14C](4)      1.649e-17
    H[14C]O3-       1.332e-17   1.218e-17   -16.876   -16.914    -0.039     (0)  
    [14C]O2         2.771e-18   2.776e-18   -17.557   -17.557     0.001     (0)  
    CaH[14C]O3+     2.812e-19   2.580e-19   -18.551   -18.588    -0.037     (0)  
-   H[14C]O2[18O]-   2.657e-20   2.431e-20   -19.576   -19.614    -0.039     (0)  
-   H[14C]O[18O]O-   2.657e-20   2.431e-20   -19.576   -19.614    -0.039     (0)  
    H[14C][18O]O2-   2.657e-20   2.431e-20   -19.576   -19.614    -0.039     (0)  
+   H[14C]O[18O]O-   2.657e-20   2.431e-20   -19.576   -19.614    -0.039     (0)  
+   H[14C]O2[18O]-   2.657e-20   2.431e-20   -19.576   -19.614    -0.039     (0)  
    Ca[14C]O3       1.542e-20   1.544e-20   -19.812   -19.811     0.001     (0)  
    [14C]O[18O]     1.152e-20   1.154e-20   -19.938   -19.938     0.001     (0)  
    [14C]O3-2       7.908e-21   5.540e-21   -20.102   -20.256    -0.155     (0)  
    CaH[14C]O2[18O]+   5.611e-22   5.147e-22   -21.251   -21.288    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.611e-22   5.147e-22   -21.251   -21.288    -0.037     (0)  
    CaH[14C][18O]O2+   5.611e-22   5.147e-22   -21.251   -21.288    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.611e-22   5.147e-22   -21.251   -21.288    -0.037     (0)  
    Ca[14C]O2[18O]   9.228e-23   9.243e-23   -22.035   -22.034     0.001     (0)  
-   H[14C]O[18O]2-   5.301e-23   4.850e-23   -22.276   -22.314    -0.039     (0)  
    H[14C][18O]2O-   5.301e-23   4.850e-23   -22.276   -22.314    -0.039     (0)  
    H[14C][18O]O[18O]-   5.301e-23   4.850e-23   -22.276   -22.314    -0.039     (0)  
+   H[14C]O[18O]2-   5.301e-23   4.850e-23   -22.276   -22.314    -0.039     (0)  
    [14C]O2[18O]-2   4.734e-23   3.316e-23   -22.325   -22.479    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.879   -69.878     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.880   -72.879     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.539   -69.539     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.540   -72.540     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.91    -17.77   -2.86  [13C]H4
+  [13C]H4(g)      -15.59    -18.45   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.45    -22.96   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.51    -30.37   -2.86  [14C]H4
+  [14C]H4(g)      -28.19    -31.05   -2.86  [14C]H4
   [14C]O2(g)      -16.09    -17.56   -1.47  [14C]O2
   [14C]O[18O](g)  -18.47    -20.26   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.59    -72.88   -2.29  [18O]2
+  [18O]2(g)       -70.25    -72.54   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -20238,14 +20256,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.95    -15.81   -2.86  CH4
+  CH4(g)          -13.63    -16.49   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.30    -12.45   -3.15  H2
+  H2(g)            -9.47    -12.62   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.59    -67.48   -2.89  O2
-  O[18O](g)       -67.29    -70.18   -2.89  O[18O]
+  O2(g)           -64.25    -67.14   -2.89  O2
+  O[18O](g)       -66.95    -69.84   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -20360,14 +20378,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7081e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6559e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1546e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -9.2149e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.2204e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -3.8858e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -20385,16 +20403,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.340      Adjusted to redox equilibrium
+                                       pe  =  -2.236      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.774e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  54 (155 overall)
+                               Iterations  =  52 (153 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -20406,25 +20424,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.629e-16
-   CH4             1.629e-16   1.631e-16   -15.788   -15.787     0.001     (0)  
+C(-4)         2.384e-17
+   CH4             2.384e-17   2.388e-17   -16.623   -16.622     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -20432,81 +20450,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.173e-13
-   H2              3.587e-13   3.593e-13   -12.445   -12.445     0.001     (0)  
+H(0)          4.437e-13
+   H2              2.219e-13   2.222e-13   -12.654   -12.653     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.493   -67.493     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.892   -69.892     0.001     (0)  
-[13C](-4)     1.805e-18
-   [13C]H4         1.805e-18   1.808e-18   -17.743   -17.743     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.076   -67.075     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.475   -69.474     0.001     (0)  
+[13C](-4)     2.643e-19
+   [13C]H4         2.643e-19   2.647e-19   -18.578   -18.577     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     4.175e-31
-   [14C]H4         4.175e-31   4.182e-31   -30.379   -30.379     0.001     (0)  
+[14C](-4)     6.112e-32
+   [14C]H4         6.112e-32   6.122e-32   -31.214   -31.213     0.001     (0)  
 [14C](4)      1.519e-17
    H[14C]O3-       1.227e-17   1.122e-17   -16.911   -16.950    -0.039     (0)  
    [14C]O2         2.553e-18   2.557e-18   -17.593   -17.592     0.001     (0)  
    CaH[14C]O3+     2.591e-19   2.376e-19   -18.587   -18.624    -0.037     (0)  
-   H[14C]O2[18O]-   2.448e-20   2.239e-20   -19.611   -19.650    -0.039     (0)  
-   H[14C]O[18O]O-   2.448e-20   2.239e-20   -19.611   -19.650    -0.039     (0)  
    H[14C][18O]O2-   2.448e-20   2.239e-20   -19.611   -19.650    -0.039     (0)  
+   H[14C]O[18O]O-   2.448e-20   2.239e-20   -19.611   -19.650    -0.039     (0)  
+   H[14C]O2[18O]-   2.448e-20   2.239e-20   -19.611   -19.650    -0.039     (0)  
    Ca[14C]O3       1.420e-20   1.423e-20   -19.848   -19.847     0.001     (0)  
    [14C]O[18O]     1.062e-20   1.063e-20   -19.974   -19.973     0.001     (0)  
    [14C]O3-2       7.285e-21   5.104e-21   -20.138   -20.292    -0.155     (0)  
    CaH[14C]O2[18O]+   5.169e-22   4.742e-22   -21.287   -21.324    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.169e-22   4.742e-22   -21.287   -21.324    -0.037     (0)  
    CaH[14C][18O]O2+   5.169e-22   4.742e-22   -21.287   -21.324    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.169e-22   4.742e-22   -21.287   -21.324    -0.037     (0)  
    Ca[14C]O2[18O]   8.501e-23   8.515e-23   -22.071   -22.070     0.001     (0)  
+   H[14C][18O]O[18O]-   4.884e-23   4.468e-23   -22.311   -22.350    -0.039     (0)  
    H[14C]O[18O]2-   4.884e-23   4.468e-23   -22.311   -22.350    -0.039     (0)  
    H[14C][18O]2O-   4.884e-23   4.468e-23   -22.311   -22.350    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.884e-23   4.468e-23   -22.311   -22.350    -0.039     (0)  
    [14C]O2[18O]-2   4.361e-23   3.055e-23   -22.360   -22.515    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.892   -69.892     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.893   -72.893     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.475   -69.474     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.476   -72.475     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.88    -17.74   -2.86  [13C]H4
+  [13C]H4(g)      -15.72    -18.58   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.49    -22.99   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.52    -30.38   -2.86  [14C]H4
+  [14C]H4(g)      -28.35    -31.21   -2.86  [14C]H4
   [14C]O2(g)      -16.12    -17.59   -1.47  [14C]O2
   [14C]O[18O](g)  -18.51    -20.29   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.60    -72.89   -2.29  [18O]2
+  [18O]2(g)       -70.19    -72.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -20520,14 +20538,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.93    -15.79   -2.86  CH4
+  CH4(g)          -13.76    -16.62   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.29    -12.44   -3.15  H2
+  H2(g)            -9.50    -12.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.60    -67.49   -2.89  O2
-  O[18O](g)       -67.30    -70.19   -2.89  O[18O]
+  O2(g)           -64.18    -67.08   -2.89  O2
+  O[18O](g)       -66.88    -69.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -20551,12 +20569,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 80.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -20642,14 +20654,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6467e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7558e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    6.4393e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.7208e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -2.1427e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -20667,16 +20679,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.340      Adjusted to redox equilibrium
+                                       pe  =  -2.219      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.774e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  78 (179 overall)
+                               Iterations  =  64
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -20688,15 +20700,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.621e-16
-   CH4             1.621e-16   1.624e-16   -15.790   -15.789     0.001     (0)  
+C(-4)         1.737e-17
+   CH4             1.737e-17   1.740e-17   -16.760   -16.759     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -20704,9 +20716,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -20714,50 +20726,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.165e-13
-   H2              3.583e-13   3.588e-13   -12.446   -12.445     0.001     (0)  
+H(0)          4.100e-13
+   H2              2.050e-13   2.053e-13   -12.688   -12.688     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.492   -67.492     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.891   -69.891     0.001     (0)  
-[13C](-4)     1.797e-18
-   [13C]H4         1.797e-18   1.800e-18   -17.745   -17.745     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.007   -67.007     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.406   -69.406     0.001     (0)  
+[13C](-4)     1.926e-19
+   [13C]H4         1.926e-19   1.929e-19   -18.715   -18.715     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.829e-31
-   [14C]H4         3.829e-31   3.835e-31   -30.417   -30.416     0.001     (0)  
+[14C](-4)     4.103e-32
+   [14C]H4         4.103e-32   4.110e-32   -31.387   -31.386     0.001     (0)  
 [14C](4)      1.399e-17
    H[14C]O3-       1.130e-17   1.034e-17   -16.947   -16.985    -0.039     (0)  
    [14C]O2         2.352e-18   2.356e-18   -17.629   -17.628     0.001     (0)  
    CaH[14C]O3+     2.387e-19   2.189e-19   -18.622   -18.660    -0.037     (0)  
-   H[14C]O2[18O]-   2.255e-20   2.063e-20   -19.647   -19.686    -0.039     (0)  
-   H[14C]O[18O]O-   2.255e-20   2.063e-20   -19.647   -19.686    -0.039     (0)  
    H[14C][18O]O2-   2.255e-20   2.063e-20   -19.647   -19.686    -0.039     (0)  
+   H[14C]O[18O]O-   2.255e-20   2.063e-20   -19.647   -19.686    -0.039     (0)  
+   H[14C]O2[18O]-   2.255e-20   2.063e-20   -19.647   -19.686    -0.039     (0)  
    Ca[14C]O3       1.308e-20   1.310e-20   -19.883   -19.883     0.001     (0)  
    [14C]O[18O]     9.779e-21   9.795e-21   -20.010   -20.009     0.001     (0)  
    [14C]O3-2       6.711e-21   4.702e-21   -20.173   -20.328    -0.155     (0)  
    CaH[14C]O2[18O]+   4.762e-22   4.368e-22   -21.322   -21.360    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.762e-22   4.368e-22   -21.322   -21.360    -0.037     (0)  
    CaH[14C][18O]O2+   4.762e-22   4.368e-22   -21.322   -21.360    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.762e-22   4.368e-22   -21.322   -21.360    -0.037     (0)  
    Ca[14C]O2[18O]   7.831e-23   7.844e-23   -22.106   -22.105     0.001     (0)  
    H[14C]O[18O]2-   4.499e-23   4.116e-23   -22.347   -22.386    -0.039     (0)  
    H[14C][18O]2O-   4.499e-23   4.116e-23   -22.347   -22.386    -0.039     (0)  
@@ -20766,29 +20778,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.891   -69.891     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.892   -72.892     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.406   -69.406     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.407   -72.407     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.88    -17.74   -2.86  [13C]H4
+  [13C]H4(g)      -15.85    -18.71   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.52    -23.03   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.56    -30.42   -2.86  [14C]H4
+  [14C]H4(g)      -28.53    -31.39   -2.86  [14C]H4
   [14C]O2(g)      -16.16    -17.63   -1.47  [14C]O2
   [14C]O[18O](g)  -18.54    -20.33   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.60    -72.89   -2.29  [18O]2
+  [18O]2(g)       -70.12    -72.41   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -20802,14 +20814,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.93    -15.79   -2.86  CH4
+  CH4(g)          -13.90    -16.76   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.30    -12.45   -3.15  H2
+  H2(g)            -9.54    -12.69   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.60    -67.49   -2.89  O2
-  O[18O](g)       -67.30    -70.19   -2.89  O[18O]
+  O2(g)           -64.11    -67.01   -2.89  O2
+  O[18O](g)       -66.81    -69.71   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -20904,7 +20916,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 2.17557e-15	        0.18502  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9873  permil    
-     R(13C) HCO3-        	 1.11808e-02	       0.050964  permil    
+     R(13C) HCO3-        	 1.11808e-02	       0.050965  permil    
      R(14C) HCO3-        	 2.21359e-15	        0.18825  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9873  permil    
      R(13C) CO3-2        	 1.11647e-02	        -1.3842  permil    
@@ -20924,14 +20936,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.6613e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7571e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.658e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1     1.199e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.8208e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -20949,16 +20961,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.333      Adjusted to redox equilibrium
+                                       pe  =  -2.194      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.774e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 118 (219 overall)
+                               Iterations  =  81 (182 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -20970,25 +20982,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.426e-16
-   CH4             1.426e-16   1.429e-16   -15.846   -15.845     0.001     (0)  
+C(-4)         1.098e-17
+   CH4             1.098e-17   1.100e-17   -16.959   -16.959     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -20996,23 +21008,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.939e-13
-   H2              3.470e-13   3.475e-13   -12.460   -12.459     0.001     (0)  
+H(0)          3.655e-13
+   H2              1.828e-13   1.831e-13   -12.738   -12.737     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.464   -67.464     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.863   -69.863     0.001     (0)  
-[13C](-4)     1.581e-18
-   [13C]H4         1.581e-18   1.584e-18   -17.801   -17.800     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.908   -66.907     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.307   -69.306     0.001     (0)  
+[13C](-4)     1.217e-19
+   [13C]H4         1.217e-19   1.219e-19   -18.915   -18.914     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.106e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -21021,56 +21033,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.103e-31
-   [14C]H4         3.103e-31   3.108e-31   -30.508   -30.507     0.001     (0)  
+[14C](-4)     2.389e-32
+   [14C]H4         2.389e-32   2.393e-32   -31.622   -31.621     0.001     (0)  
 [14C](4)      1.289e-17
    H[14C]O3-       1.041e-17   9.525e-18   -16.982   -17.021    -0.039     (0)  
    [14C]O2         2.166e-18   2.170e-18   -17.664   -17.664     0.001     (0)  
    CaH[14C]O3+     2.199e-19   2.017e-19   -18.658   -18.695    -0.037     (0)  
-   H[14C]O2[18O]-   2.077e-20   1.900e-20   -19.683   -19.721    -0.039     (0)  
-   H[14C]O[18O]O-   2.077e-20   1.900e-20   -19.683   -19.721    -0.039     (0)  
    H[14C][18O]O2-   2.077e-20   1.900e-20   -19.683   -19.721    -0.039     (0)  
+   H[14C]O[18O]O-   2.077e-20   1.900e-20   -19.683   -19.721    -0.039     (0)  
+   H[14C]O2[18O]-   2.077e-20   1.900e-20   -19.683   -19.721    -0.039     (0)  
    Ca[14C]O3       1.205e-20   1.207e-20   -19.919   -19.918     0.001     (0)  
    [14C]O[18O]     9.009e-21   9.023e-21   -20.045   -20.045     0.001     (0)  
    [14C]O3-2       6.183e-21   4.331e-21   -20.209   -20.363    -0.155     (0)  
    CaH[14C]O2[18O]+   4.387e-22   4.024e-22   -21.358   -21.395    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.387e-22   4.024e-22   -21.358   -21.395    -0.037     (0)  
    CaH[14C][18O]O2+   4.387e-22   4.024e-22   -21.358   -21.395    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.387e-22   4.024e-22   -21.358   -21.395    -0.037     (0)  
    Ca[14C]O2[18O]   7.214e-23   7.226e-23   -22.142   -22.141     0.001     (0)  
-   H[14C]O[18O]2-   4.145e-23   3.792e-23   -22.383   -22.421    -0.039     (0)  
    H[14C][18O]2O-   4.145e-23   3.792e-23   -22.383   -22.421    -0.039     (0)  
    H[14C][18O]O[18O]-   4.145e-23   3.792e-23   -22.383   -22.421    -0.039     (0)  
+   H[14C]O[18O]2-   4.145e-23   3.792e-23   -22.383   -22.421    -0.039     (0)  
    [14C]O2[18O]-2   3.701e-23   2.593e-23   -22.432   -22.586    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.863   -69.863     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.865   -72.864     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.307   -69.306     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.308   -72.307     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.94    -17.80   -2.86  [13C]H4
+  [13C]H4(g)      -16.05    -18.91   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.56    -23.06   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.65    -30.51   -2.86  [14C]H4
+  [14C]H4(g)      -28.76    -31.62   -2.86  [14C]H4
   [14C]O2(g)      -16.19    -17.66   -1.47  [14C]O2
   [14C]O[18O](g)  -18.58    -20.36   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.57    -72.86   -2.29  [18O]2
+  [18O]2(g)       -70.02    -72.31   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -21084,14 +21096,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.99    -15.85   -2.86  CH4
+  CH4(g)          -14.10    -16.96   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.31    -12.46   -3.15  H2
+  H2(g)            -9.59    -12.74   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.57    -67.46   -2.89  O2
-  O[18O](g)       -67.27    -70.16   -2.89  O[18O]
+  O2(g)           -64.01    -66.91   -2.89  O2
+  O[18O](g)       -66.71    -69.61   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -21186,7 +21198,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 2.00420e-15	        0.17044  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9872  permil    
-     R(13C) HCO3-        	 1.11808e-02	       0.054113  permil    
+     R(13C) HCO3-        	 1.11808e-02	       0.054114  permil    
      R(14C) HCO3-        	 2.03922e-15	        0.17342  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9872  permil    
      R(13C) CO3-2        	 1.11648e-02	        -1.3811  permil    
@@ -21206,14 +21218,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6768e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7755e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    -9.992e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.0436e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    2.2204e-13             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -21231,16 +21243,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.335      Adjusted to redox equilibrium
+                                       pe  =  -2.179      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.774e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 111 (212 overall)
+                               Iterations  =  63 (164 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -21252,15 +21264,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.460e-16
-   CH4             1.460e-16   1.463e-16   -15.836   -15.835     0.001     (0)  
+C(-4)         8.305e-18
+   CH4             8.305e-18   8.319e-18   -17.081   -17.080     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -21268,9 +21280,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -21278,81 +21290,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.980e-13
-   H2              3.490e-13   3.496e-13   -12.457   -12.456     0.001     (0)  
+H(0)          3.409e-13
+   H2              1.704e-13   1.707e-13   -12.768   -12.768     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.470   -67.469     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.869   -69.868     0.001     (0)  
-[13C](-4)     1.619e-18
-   [13C]H4         1.619e-18   1.621e-18   -17.791   -17.790     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.847   -66.846     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.246   -69.245     0.001     (0)  
+[13C](-4)     9.205e-20
+   [13C]H4         9.205e-20   9.221e-20   -19.036   -19.035     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.655    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.927e-31
-   [14C]H4         2.927e-31   2.932e-31   -30.534   -30.533     0.001     (0)  
+[14C](-4)     1.664e-32
+   [14C]H4         1.664e-32   1.667e-32   -31.779   -31.778     0.001     (0)  
 [14C](4)      1.187e-17
    H[14C]O3-       9.591e-18   8.775e-18   -17.018   -17.057    -0.039     (0)  
    [14C]O2         1.996e-18   1.999e-18   -17.700   -17.699     0.001     (0)  
    CaH[14C]O3+     2.025e-19   1.858e-19   -18.693   -18.731    -0.037     (0)  
-   H[14C]O2[18O]-   1.914e-20   1.751e-20   -19.718   -19.757    -0.039     (0)  
-   H[14C]O[18O]O-   1.914e-20   1.751e-20   -19.718   -19.757    -0.039     (0)  
    H[14C][18O]O2-   1.914e-20   1.751e-20   -19.718   -19.757    -0.039     (0)  
+   H[14C]O[18O]O-   1.914e-20   1.751e-20   -19.718   -19.757    -0.039     (0)  
+   H[14C]O2[18O]-   1.914e-20   1.751e-20   -19.718   -19.757    -0.039     (0)  
    Ca[14C]O3       1.110e-20   1.112e-20   -19.955   -19.954     0.001     (0)  
    [14C]O[18O]     8.299e-21   8.313e-21   -20.081   -20.080     0.001     (0)  
    [14C]O3-2       5.696e-21   3.990e-21   -20.244   -20.399    -0.155     (0)  
    CaH[14C]O2[18O]+   4.041e-22   3.707e-22   -21.394   -21.431    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.041e-22   3.707e-22   -21.394   -21.431    -0.037     (0)  
    CaH[14C][18O]O2+   4.041e-22   3.707e-22   -21.394   -21.431    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.041e-22   3.707e-22   -21.394   -21.431    -0.037     (0)  
    Ca[14C]O2[18O]   6.646e-23   6.657e-23   -22.177   -22.177     0.001     (0)  
+   H[14C][18O]O[18O]-   3.818e-23   3.493e-23   -22.418   -22.457    -0.039     (0)  
    H[14C]O[18O]2-   3.818e-23   3.493e-23   -22.418   -22.457    -0.039     (0)  
    H[14C][18O]2O-   3.818e-23   3.493e-23   -22.418   -22.457    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.818e-23   3.493e-23   -22.418   -22.457    -0.039     (0)  
    [14C]O2[18O]-2   3.409e-23   2.388e-23   -22.467   -22.622    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.869   -69.868     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.870   -72.869     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.246   -69.245     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.247   -72.246     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.93    -17.79   -2.86  [13C]H4
+  [13C]H4(g)      -16.18    -19.04   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.60    -23.10   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.67    -30.53   -2.86  [14C]H4
+  [14C]H4(g)      -28.92    -31.78   -2.86  [14C]H4
   [14C]O2(g)      -16.23    -17.70   -1.47  [14C]O2
   [14C]O[18O](g)  -18.61    -20.40   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.58    -72.87   -2.29  [18O]2
+  [18O]2(g)       -69.96    -72.25   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -21366,14 +21378,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.97    -15.83   -2.86  CH4
+  CH4(g)          -14.22    -17.08   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.31    -12.46   -3.15  H2
+  H2(g)            -9.62    -12.77   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.58    -67.47   -2.89  O2
-  O[18O](g)       -67.28    -70.17   -2.89  O[18O]
+  O2(g)           -63.95    -66.85   -2.89  O2
+  O[18O](g)       -66.65    -69.55   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -21482,14 +21494,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6898e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7063e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.8874e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.9984e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3989e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -21507,16 +21519,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.349      Adjusted to redox equilibrium
+                                       pe  =  -2.209      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.835e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  59
+                               Iterations  =  50
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -21528,25 +21540,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.918e-16
-   CH4             1.918e-16   1.921e-16   -15.717   -15.716     0.001     (0)  
+C(-4)         1.444e-17
+   CH4             1.444e-17   1.447e-17   -16.840   -16.840     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -21554,50 +21566,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.096e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.473e-13
-   H2              3.736e-13   3.743e-13   -12.428   -12.427     0.001     (0)  
+H(0)          3.914e-13
+   H2              1.957e-13   1.960e-13   -12.708   -12.708     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.529   -67.528     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.928   -69.927     0.001     (0)  
-[13C](-4)     2.126e-18
-   [13C]H4         2.126e-18   2.130e-18   -17.672   -17.672     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.967   -66.966     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.366   -69.365     0.001     (0)  
+[13C](-4)     1.601e-19
+   [13C]H4         1.601e-19   1.603e-19   -18.796   -18.795     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.096e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.542e-31
-   [14C]H4         3.542e-31   3.547e-31   -30.451   -30.450     0.001     (0)  
+[14C](-4)     2.667e-32
+   [14C]H4         2.667e-32   2.671e-32   -31.574   -31.573     0.001     (0)  
 [14C](4)      1.094e-17
    H[14C]O3-       8.836e-18   8.084e-18   -17.054   -17.092    -0.039     (0)  
    [14C]O2         1.839e-18   1.842e-18   -17.736   -17.735     0.001     (0)  
    CaH[14C]O3+     1.866e-19   1.712e-19   -18.729   -18.767    -0.037     (0)  
-   H[14C]O2[18O]-   1.763e-20   1.613e-20   -19.754   -19.792    -0.039     (0)  
-   H[14C]O[18O]O-   1.763e-20   1.613e-20   -19.754   -19.792    -0.039     (0)  
    H[14C][18O]O2-   1.763e-20   1.613e-20   -19.754   -19.792    -0.039     (0)  
+   H[14C]O[18O]O-   1.763e-20   1.613e-20   -19.754   -19.792    -0.039     (0)  
+   H[14C]O2[18O]-   1.763e-20   1.613e-20   -19.754   -19.792    -0.039     (0)  
    Ca[14C]O3       1.023e-20   1.025e-20   -19.990   -19.989     0.001     (0)  
    [14C]O[18O]     7.645e-21   7.658e-21   -20.117   -20.116     0.001     (0)  
    [14C]O3-2       5.247e-21   3.676e-21   -20.280   -20.435    -0.155     (0)  
    CaH[14C]O2[18O]+   3.723e-22   3.415e-22   -21.429   -21.467    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.723e-22   3.415e-22   -21.429   -21.467    -0.037     (0)  
    CaH[14C][18O]O2+   3.723e-22   3.415e-22   -21.429   -21.467    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.723e-22   3.415e-22   -21.429   -21.467    -0.037     (0)  
    Ca[14C]O2[18O]   6.122e-23   6.132e-23   -22.213   -22.212     0.001     (0)  
    H[14C]O[18O]2-   3.517e-23   3.218e-23   -22.454   -22.492    -0.039     (0)  
    H[14C][18O]2O-   3.517e-23   3.218e-23   -22.454   -22.492    -0.039     (0)  
@@ -21606,29 +21618,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.928   -69.927     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.929   -72.928     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.366   -69.365     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.367   -72.367     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.81    -17.67   -2.86  [13C]H4
+  [13C]H4(g)      -15.93    -18.79   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.63    -23.13   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.59    -30.45   -2.86  [14C]H4
+  [14C]H4(g)      -28.71    -31.57   -2.86  [14C]H4
   [14C]O2(g)      -16.27    -17.73   -1.47  [14C]O2
   [14C]O[18O](g)  -18.65    -20.43   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.64    -72.93   -2.29  [18O]2
+  [18O]2(g)       -70.08    -72.37   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -21642,14 +21654,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.86    -15.72   -2.86  CH4
+  CH4(g)          -13.98    -16.84   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.28    -12.43   -3.15  H2
+  H2(g)            -9.56    -12.71   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.64    -67.53   -2.89  O2
-  O[18O](g)       -67.34    -70.23   -2.89  O[18O]
+  O2(g)           -64.07    -66.97   -2.89  O2
+  O[18O](g)       -66.77    -69.67   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -21673,12 +21685,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 84.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -21764,14 +21770,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7969e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7585e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2101e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1     5.107e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     5.107e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -21789,16 +21795,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.340      Adjusted to redox equilibrium
+                                       pe  =  -2.164      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.317e-13
+                  Electrical balance (eq)  =   5.835e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 111 (212 overall)
+                               Iterations  =  48
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -21810,14 +21816,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.604e-16
-   CH4             1.604e-16   1.607e-16   -15.795   -15.794     0.001     (0)  
+C(-4)         6.357e-18
+   CH4             6.357e-18   6.367e-18   -17.197   -17.196     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -21826,9 +21832,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -21836,23 +21842,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.146e-13
-   H2              3.573e-13   3.579e-13   -12.447   -12.446     0.001     (0)  
+H(0)          3.188e-13
+   H2              1.594e-13   1.597e-13   -12.797   -12.797     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.490   -67.489     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.889   -69.888     0.001     (0)  
-[13C](-4)     1.778e-18
-   [13C]H4         1.778e-18   1.781e-18   -17.750   -17.749     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.789   -66.788     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.188   -69.187     0.001     (0)  
+[13C](-4)     7.046e-20
+   [13C]H4         7.046e-20   7.057e-20   -19.152   -19.151     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -21861,56 +21867,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.729e-31
-   [14C]H4         2.729e-31   2.733e-31   -30.564   -30.563     0.001     (0)  
+[14C](-4)     1.081e-32
+   [14C]H4         1.081e-32   1.083e-32   -31.966   -31.965     0.001     (0)  
 [14C](4)      1.008e-17
    H[14C]O3-       8.140e-18   7.447e-18   -17.089   -17.128    -0.039     (0)  
    [14C]O2         1.694e-18   1.697e-18   -17.771   -17.770     0.001     (0)  
    CaH[14C]O3+     1.719e-19   1.577e-19   -18.765   -18.802    -0.037     (0)  
-   H[14C]O2[18O]-   1.624e-20   1.486e-20   -19.789   -19.828    -0.039     (0)  
-   H[14C]O[18O]O-   1.624e-20   1.486e-20   -19.789   -19.828    -0.039     (0)  
    H[14C][18O]O2-   1.624e-20   1.486e-20   -19.789   -19.828    -0.039     (0)  
+   H[14C]O[18O]O-   1.624e-20   1.486e-20   -19.789   -19.828    -0.039     (0)  
+   H[14C]O2[18O]-   1.624e-20   1.486e-20   -19.789   -19.828    -0.039     (0)  
    Ca[14C]O3       9.423e-21   9.438e-21   -20.026   -20.025     0.001     (0)  
    [14C]O[18O]     7.043e-21   7.055e-21   -20.152   -20.152     0.001     (0)  
    [14C]O3-2       4.834e-21   3.386e-21   -20.316   -20.470    -0.155     (0)  
    CaH[14C]O2[18O]+   3.429e-22   3.146e-22   -21.465   -21.502    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.429e-22   3.146e-22   -21.465   -21.502    -0.037     (0)  
    CaH[14C][18O]O2+   3.429e-22   3.146e-22   -21.465   -21.502    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.429e-22   3.146e-22   -21.465   -21.502    -0.037     (0)  
    Ca[14C]O2[18O]   5.640e-23   5.649e-23   -22.249   -22.248     0.001     (0)  
-   H[14C]O[18O]2-   3.240e-23   2.964e-23   -22.489   -22.528    -0.039     (0)  
    H[14C][18O]2O-   3.240e-23   2.964e-23   -22.489   -22.528    -0.039     (0)  
    H[14C][18O]O[18O]-   3.240e-23   2.964e-23   -22.489   -22.528    -0.039     (0)  
+   H[14C]O[18O]2-   3.240e-23   2.964e-23   -22.489   -22.528    -0.039     (0)  
    [14C]O2[18O]-2   2.893e-23   2.027e-23   -22.539   -22.693    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.889   -69.888     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.890   -72.889     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.188   -69.187     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.189   -72.188     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.89    -17.75   -2.86  [13C]H4
+  [13C]H4(g)      -16.29    -19.15   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.67    -23.17   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.70    -30.56   -2.86  [14C]H4
+  [14C]H4(g)      -29.11    -31.97   -2.86  [14C]H4
   [14C]O2(g)      -16.30    -17.77   -1.47  [14C]O2
   [14C]O[18O](g)  -18.68    -20.47   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.60    -72.89   -2.29  [18O]2
+  [18O]2(g)       -69.90    -72.19   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -21924,14 +21930,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.93    -15.79   -2.86  CH4
+  CH4(g)          -14.34    -17.20   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.30    -12.45   -3.15  H2
+  H2(g)            -9.65    -12.80   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.60    -67.49   -2.89  O2
-  O[18O](g)       -67.30    -70.19   -2.89  O[18O]
+  O2(g)           -63.90    -66.79   -2.89  O2
+  O[18O](g)       -66.60    -69.49   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -22020,7 +22026,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 1.56690e-15	        0.13325  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9868  permil    
-     R(13C) HCO3-        	 1.11809e-02	       0.062154  permil    
+     R(13C) HCO3-        	 1.11809e-02	       0.062153  permil    
      R(14C) HCO3-        	 1.59429e-15	        0.13558  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9868  permil    
      R(13C) CO3-2        	 1.11648e-02	         -1.373  permil    
@@ -22040,14 +22046,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5747e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5583e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    8.8818e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    2.8866e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1     5.107e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.3323e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -22065,16 +22071,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.339      Adjusted to redox equilibrium
+                                       pe  =  -2.173      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.392e-13
+                  Electrical balance (eq)  =   5.835e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  73
+                               Iterations  =  76
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -22086,25 +22092,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.575e-16
-   CH4             1.575e-16   1.577e-16   -15.803   -15.802     0.001     (0)  
+C(-4)         7.435e-18
+   CH4             7.435e-18   7.447e-18   -17.129   -17.128     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -22112,81 +22118,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.113e-13
-   H2              3.557e-13   3.562e-13   -12.449   -12.448     0.001     (0)  
+H(0)          3.316e-13
+   H2              1.658e-13   1.661e-13   -12.780   -12.780     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.486   -67.485     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.885   -69.884     0.001     (0)  
-[13C](-4)     1.746e-18
-   [13C]H4         1.746e-18   1.748e-18   -17.758   -17.757     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.823   -66.822     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.222   -69.221     0.001     (0)  
+[13C](-4)     8.241e-20
+   [13C]H4         8.241e-20   8.255e-20   -19.084   -19.083     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.032e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.467e-31
-   [14C]H4         2.467e-31   2.472e-31   -30.608   -30.607     0.001     (0)  
+[14C](-4)     1.165e-32
+   [14C]H4         1.165e-32   1.167e-32   -31.934   -31.933     0.001     (0)  
 [14C](4)      9.283e-18
    H[14C]O3-       7.499e-18   6.860e-18   -17.125   -17.164    -0.039     (0)  
    [14C]O2         1.560e-18   1.563e-18   -17.807   -17.806     0.001     (0)  
    CaH[14C]O3+     1.583e-19   1.453e-19   -18.800   -18.838    -0.037     (0)  
-   H[14C]O2[18O]-   1.496e-20   1.369e-20   -19.825   -19.864    -0.039     (0)  
-   H[14C]O[18O]O-   1.496e-20   1.369e-20   -19.825   -19.864    -0.039     (0)  
    H[14C][18O]O2-   1.496e-20   1.369e-20   -19.825   -19.864    -0.039     (0)  
+   H[14C]O[18O]O-   1.496e-20   1.369e-20   -19.825   -19.864    -0.039     (0)  
+   H[14C]O2[18O]-   1.496e-20   1.369e-20   -19.825   -19.864    -0.039     (0)  
    Ca[14C]O3       8.681e-21   8.695e-21   -20.061   -20.061     0.001     (0)  
    [14C]O[18O]     6.488e-21   6.499e-21   -20.188   -20.187     0.001     (0)  
    [14C]O3-2       4.453e-21   3.120e-21   -20.351   -20.506    -0.155     (0)  
    CaH[14C]O2[18O]+   3.159e-22   2.898e-22   -21.500   -21.538    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.159e-22   2.898e-22   -21.500   -21.538    -0.037     (0)  
    CaH[14C][18O]O2+   3.159e-22   2.898e-22   -21.500   -21.538    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.159e-22   2.898e-22   -21.500   -21.538    -0.037     (0)  
    Ca[14C]O2[18O]   5.196e-23   5.204e-23   -22.284   -22.284     0.001     (0)  
+   H[14C][18O]O[18O]-   2.985e-23   2.731e-23   -22.525   -22.564    -0.039     (0)  
    H[14C]O[18O]2-   2.985e-23   2.731e-23   -22.525   -22.564    -0.039     (0)  
    H[14C][18O]2O-   2.985e-23   2.731e-23   -22.525   -22.564    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.985e-23   2.731e-23   -22.525   -22.564    -0.039     (0)  
    [14C]O2[18O]-2   2.665e-23   1.867e-23   -22.574   -22.729    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.885   -69.884     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.886   -72.885     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.222   -69.221     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.223   -72.222     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.90    -17.76   -2.86  [13C]H4
+  [13C]H4(g)      -16.22    -19.08   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.70    -23.21   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.75    -30.61   -2.86  [14C]H4
+  [14C]H4(g)      -29.07    -31.93   -2.86  [14C]H4
   [14C]O2(g)      -16.34    -17.81   -1.47  [14C]O2
   [14C]O[18O](g)  -18.72    -20.51   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.59    -72.89   -2.29  [18O]2
+  [18O]2(g)       -69.93    -72.22   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -22200,14 +22206,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.94    -15.80   -2.86  CH4
+  CH4(g)          -14.27    -17.13   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.30    -12.45   -3.15  H2
+  H2(g)            -9.63    -12.78   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.59    -67.49   -2.89  O2
-  O[18O](g)       -67.29    -70.19   -2.89  O[18O]
+  O2(g)           -63.93    -66.82   -2.89  O2
+  O[18O](g)       -66.63    -69.52   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -22231,6 +22237,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 86.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -22316,14 +22328,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6341e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6543e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -6.1062e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    -1.843e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.5543e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.7748e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -22341,16 +22353,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.330      Adjusted to redox equilibrium
+                                       pe  =  -2.141      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.392e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  61
+                               Iterations  = 125 (226 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -22362,15 +22374,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.340e-16
-   CH4             1.340e-16   1.342e-16   -15.873   -15.872     0.001     (0)  
+C(-4)         4.115e-18
+   CH4             4.115e-18   4.122e-18   -17.386   -17.385     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -22378,9 +22390,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -22388,50 +22400,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.832e-13
-   H2              3.416e-13   3.422e-13   -12.466   -12.466     0.001     (0)  
+H(0)          2.860e-13
+   H2              1.430e-13   1.432e-13   -12.845   -12.844     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.451   -67.450     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.850   -69.849     0.001     (0)  
-[13C](-4)     1.485e-18
-   [13C]H4         1.485e-18   1.488e-18   -17.828   -17.827     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.695   -66.694     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.094   -69.093     0.001     (0)  
+[13C](-4)     4.561e-20
+   [13C]H4         4.561e-20   4.569e-20   -19.341   -19.340     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.110e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.934e-31
-   [14C]H4         1.934e-31   1.938e-31   -30.713   -30.713     0.001     (0)  
+[14C](-4)     5.940e-33
+   [14C]H4         5.940e-33   5.950e-33   -32.226   -32.225     0.001     (0)  
 [14C](4)      8.552e-18
    H[14C]O3-       6.908e-18   6.320e-18   -17.161   -17.199    -0.039     (0)  
    [14C]O2         1.437e-18   1.440e-18   -17.842   -17.842     0.001     (0)  
    CaH[14C]O3+     1.459e-19   1.338e-19   -18.836   -18.874    -0.037     (0)  
-   H[14C]O2[18O]-   1.378e-20   1.261e-20   -19.861   -19.899    -0.039     (0)  
-   H[14C]O[18O]O-   1.378e-20   1.261e-20   -19.861   -19.899    -0.039     (0)  
    H[14C][18O]O2-   1.378e-20   1.261e-20   -19.861   -19.899    -0.039     (0)  
+   H[14C]O[18O]O-   1.378e-20   1.261e-20   -19.861   -19.899    -0.039     (0)  
+   H[14C]O2[18O]-   1.378e-20   1.261e-20   -19.861   -19.899    -0.039     (0)  
    Ca[14C]O3       7.997e-21   8.010e-21   -20.097   -20.096     0.001     (0)  
    [14C]O[18O]     5.977e-21   5.987e-21   -20.224   -20.223     0.001     (0)  
    [14C]O3-2       4.102e-21   2.874e-21   -20.387   -20.542    -0.155     (0)  
    CaH[14C]O2[18O]+   2.910e-22   2.670e-22   -21.536   -21.574    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.910e-22   2.670e-22   -21.536   -21.574    -0.037     (0)  
    CaH[14C][18O]O2+   2.910e-22   2.670e-22   -21.536   -21.574    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.910e-22   2.670e-22   -21.536   -21.574    -0.037     (0)  
    Ca[14C]O2[18O]   4.787e-23   4.794e-23   -22.320   -22.319     0.001     (0)  
    H[14C]O[18O]2-   2.750e-23   2.516e-23   -22.561   -22.599    -0.039     (0)  
    H[14C][18O]2O-   2.750e-23   2.516e-23   -22.561   -22.599    -0.039     (0)  
@@ -22440,29 +22452,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.850   -69.849     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.851   -72.850     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.094   -69.093     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.095   -72.094     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.97    -17.83   -2.86  [13C]H4
+  [13C]H4(g)      -16.48    -19.34   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.74    -23.24   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.85    -30.71   -2.86  [14C]H4
+  [14C]H4(g)      -29.37    -32.23   -2.86  [14C]H4
   [14C]O2(g)      -16.37    -17.84   -1.47  [14C]O2
   [14C]O[18O](g)  -18.75    -20.54   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.56    -72.85   -2.29  [18O]2
+  [18O]2(g)       -69.80    -72.09   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -22476,14 +22488,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.01    -15.87   -2.86  CH4
+  CH4(g)          -14.52    -17.38   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.32    -12.47   -3.15  H2
+  H2(g)            -9.69    -12.84   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.56    -67.45   -2.89  O2
-  O[18O](g)       -67.26    -70.15   -2.89  O[18O]
+  O2(g)           -63.80    -66.69   -2.89  O2
+  O[18O](g)       -66.50    -69.39   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -22592,14 +22604,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6013e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6886e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.5099e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -2.1538e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -22617,16 +22629,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.319      Adjusted to redox equilibrium
+                                       pe  =  -2.093      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.392e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  91
+                               Iterations  = 100
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -22638,25 +22650,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.107e-16
-   CH4             1.107e-16   1.109e-16   -15.956   -15.955     0.001     (0)  
+C(-4)         1.714e-18
+   CH4             1.714e-18   1.717e-18   -17.766   -17.765     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -22664,23 +22676,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.514e-13
-   H2              3.257e-13   3.262e-13   -12.487   -12.486     0.001     (0)  
+H(0)          2.298e-13
+   H2              1.149e-13   1.151e-13   -12.940   -12.939     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.409   -67.409     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.808   -69.808     0.001     (0)  
-[13C](-4)     1.227e-18
-   [13C]H4         1.227e-18   1.229e-18   -17.911   -17.910     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.504   -66.504     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.903   -68.903     0.001     (0)  
+[13C](-4)     1.900e-20
+   [13C]H4         1.900e-20   1.903e-20   -19.721   -19.721     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -22689,56 +22701,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.472e-31
-   [14C]H4         1.472e-31   1.475e-31   -30.832   -30.831     0.001     (0)  
+[14C](-4)     2.279e-33
+   [14C]H4         2.279e-33   2.283e-33   -32.642   -32.641     0.001     (0)  
 [14C](4)      7.878e-18
    H[14C]O3-       6.364e-18   5.822e-18   -17.196   -17.235    -0.039     (0)  
    [14C]O2         1.324e-18   1.326e-18   -17.878   -17.877     0.001     (0)  
    CaH[14C]O3+     1.344e-19   1.233e-19   -18.872   -18.909    -0.037     (0)  
-   H[14C]O2[18O]-   1.270e-20   1.162e-20   -19.896   -19.935    -0.039     (0)  
-   H[14C]O[18O]O-   1.270e-20   1.162e-20   -19.896   -19.935    -0.039     (0)  
    H[14C][18O]O2-   1.270e-20   1.162e-20   -19.896   -19.935    -0.039     (0)  
+   H[14C]O[18O]O-   1.270e-20   1.162e-20   -19.896   -19.935    -0.039     (0)  
+   H[14C]O2[18O]-   1.270e-20   1.162e-20   -19.896   -19.935    -0.039     (0)  
    Ca[14C]O3       7.367e-21   7.379e-21   -20.133   -20.132     0.001     (0)  
    [14C]O[18O]     5.506e-21   5.515e-21   -20.259   -20.258     0.001     (0)  
    [14C]O3-2       3.779e-21   2.647e-21   -20.423   -20.577    -0.155     (0)  
    CaH[14C]O2[18O]+   2.681e-22   2.460e-22   -21.572   -21.609    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.681e-22   2.460e-22   -21.572   -21.609    -0.037     (0)  
    CaH[14C][18O]O2+   2.681e-22   2.460e-22   -21.572   -21.609    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.681e-22   2.460e-22   -21.572   -21.609    -0.037     (0)  
    Ca[14C]O2[18O]   4.410e-23   4.417e-23   -22.356   -22.355     0.001     (0)  
-   H[14C]O[18O]2-   2.533e-23   2.318e-23   -22.596   -22.635    -0.039     (0)  
    H[14C][18O]2O-   2.533e-23   2.318e-23   -22.596   -22.635    -0.039     (0)  
    H[14C][18O]O[18O]-   2.533e-23   2.318e-23   -22.596   -22.635    -0.039     (0)  
+   H[14C]O[18O]2-   2.533e-23   2.318e-23   -22.596   -22.635    -0.039     (0)  
    [14C]O2[18O]-2   2.262e-23   1.585e-23   -22.646   -22.800    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.808   -69.808     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.810   -72.809     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.903   -68.903     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.904   -71.904     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.05    -17.91   -2.86  [13C]H4
+  [13C]H4(g)      -16.86    -19.72   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.77    -23.28   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.97    -30.83   -2.86  [14C]H4
+  [14C]H4(g)      -29.78    -32.64   -2.86  [14C]H4
   [14C]O2(g)      -16.41    -17.88   -1.47  [14C]O2
   [14C]O[18O](g)  -18.79    -20.58   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.52    -72.81   -2.29  [18O]2
+  [18O]2(g)       -69.61    -71.90   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -22752,14 +22764,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.10    -15.96   -2.86  CH4
+  CH4(g)          -14.91    -17.77   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.34    -12.49   -3.15  H2
+  H2(g)            -9.79    -12.94   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.52    -67.41   -2.89  O2
-  O[18O](g)       -67.22    -70.11   -2.89  O[18O]
+  O2(g)           -63.61    -66.50   -2.89  O2
+  O[18O](g)       -66.31    -69.20   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -22868,14 +22880,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.4966e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6507e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1102e-13             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.0214e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.6209e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -6.3283e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -22893,16 +22905,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.322      Adjusted to redox equilibrium
+                                       pe  =  -2.101      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.392e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  78
+                               Iterations  =  80
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -22914,15 +22926,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.162e-16
-   CH4             1.162e-16   1.164e-16   -15.935   -15.934     0.001     (0)  
+C(-4)         1.972e-18
+   CH4             1.972e-18   1.975e-18   -17.705   -17.704     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -22930,9 +22942,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -22940,81 +22952,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.592e-13
-   H2              3.296e-13   3.302e-13   -12.482   -12.481     0.001     (0)  
+H(0)          2.379e-13
+   H2              1.190e-13   1.192e-13   -12.925   -12.924     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.420   -67.419     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.819   -69.818     0.001     (0)  
-[13C](-4)     1.288e-18
-   [13C]H4         1.288e-18   1.290e-18   -17.890   -17.889     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.535   -66.534     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.934   -68.933     0.001     (0)  
+[13C](-4)     2.185e-20
+   [13C]H4         2.185e-20   2.189e-20   -19.660   -19.660     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.423e-31
-   [14C]H4         1.423e-31   1.426e-31   -30.847   -30.846     0.001     (0)  
+[14C](-4)     2.415e-33
+   [14C]H4         2.415e-33   2.419e-33   -32.617   -32.616     0.001     (0)  
 [14C](4)      7.257e-18
    H[14C]O3-       5.862e-18   5.363e-18   -17.232   -17.271    -0.039     (0)  
    [14C]O2         1.220e-18   1.222e-18   -17.914   -17.913     0.001     (0)  
    CaH[14C]O3+     1.238e-19   1.136e-19   -18.907   -18.945    -0.037     (0)  
-   H[14C]O2[18O]-   1.170e-20   1.070e-20   -19.932   -19.971    -0.039     (0)  
-   H[14C]O[18O]O-   1.170e-20   1.070e-20   -19.932   -19.971    -0.039     (0)  
    H[14C][18O]O2-   1.170e-20   1.070e-20   -19.932   -19.971    -0.039     (0)  
+   H[14C]O[18O]O-   1.170e-20   1.070e-20   -19.932   -19.971    -0.039     (0)  
+   H[14C]O2[18O]-   1.170e-20   1.070e-20   -19.932   -19.971    -0.039     (0)  
    Ca[14C]O3       6.787e-21   6.798e-21   -20.168   -20.168     0.001     (0)  
    [14C]O[18O]     5.073e-21   5.081e-21   -20.295   -20.294     0.001     (0)  
    [14C]O3-2       3.481e-21   2.439e-21   -20.458   -20.613    -0.155     (0)  
    CaH[14C]O2[18O]+   2.470e-22   2.266e-22   -21.607   -21.645    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.470e-22   2.266e-22   -21.607   -21.645    -0.037     (0)  
    CaH[14C][18O]O2+   2.470e-22   2.266e-22   -21.607   -21.645    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.470e-22   2.266e-22   -21.607   -21.645    -0.037     (0)  
    Ca[14C]O2[18O]   4.062e-23   4.069e-23   -22.391   -22.391     0.001     (0)  
+   H[14C][18O]O[18O]-   2.334e-23   2.135e-23   -22.632   -22.671    -0.039     (0)  
    H[14C]O[18O]2-   2.334e-23   2.135e-23   -22.632   -22.671    -0.039     (0)  
    H[14C][18O]2O-   2.334e-23   2.135e-23   -22.632   -22.671    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.334e-23   2.135e-23   -22.632   -22.671    -0.039     (0)  
    [14C]O2[18O]-2   2.084e-23   1.460e-23   -22.681   -22.836    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.819   -69.818     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.820   -72.819     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.934   -68.933     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.935   -71.934     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.03    -17.89   -2.86  [13C]H4
+  [13C]H4(g)      -16.80    -19.66   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.81    -23.31   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.99    -30.85   -2.86  [14C]H4
+  [14C]H4(g)      -29.76    -32.62   -2.86  [14C]H4
   [14C]O2(g)      -16.44    -17.91   -1.47  [14C]O2
   [14C]O[18O](g)  -18.83    -20.61   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.53    -72.82   -2.29  [18O]2
+  [18O]2(g)       -69.64    -71.93   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -23028,14 +23040,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.07    -15.93   -2.86  CH4
+  CH4(g)          -14.84    -17.70   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.33    -12.48   -3.15  H2
+  H2(g)            -9.77    -12.92   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.53    -67.42   -2.89  O2
-  O[18O](g)       -67.23    -70.12   -2.89  O[18O]
+  O2(g)           -63.64    -66.53   -2.89  O2
+  O[18O](g)       -66.34    -69.23   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -23059,12 +23071,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 89.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -23130,7 +23136,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 1.12852e-15	       0.095972  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9862  permil    
-     R(13C) HCO3-        	 1.11810e-02	       0.070221  permil    
+     R(13C) HCO3-        	 1.11810e-02	        0.07022  permil    
      R(14C) HCO3-        	 1.14824e-15	       0.097649  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9862  permil    
      R(13C) CO3-2        	 1.11649e-02	         -1.365  permil    
@@ -23150,14 +23156,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7502e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6666e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.0436e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.6431e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.2212e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     1.199e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -23175,16 +23181,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.337      Adjusted to redox equilibrium
+                                       pe  =  -2.117      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.425e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  53 (154 overall)
+                               Iterations  =  84
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -23196,25 +23202,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.517e-16
-   CH4             1.517e-16   1.520e-16   -15.819   -15.818     0.001     (0)  
+C(-4)         2.636e-18
+   CH4             2.636e-18   2.640e-18   -17.579   -17.578     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -23222,50 +23228,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.047e-13
-   H2              3.524e-13   3.530e-13   -12.453   -12.452     0.001     (0)  
+H(0)          2.559e-13
+   H2              1.279e-13   1.281e-13   -12.893   -12.892     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.478   -67.477     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.877   -69.876     0.001     (0)  
-[13C](-4)     1.682e-18
-   [13C]H4         1.682e-18   1.685e-18   -17.774   -17.773     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.598   -66.597     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.997   -68.996     0.001     (0)  
+[13C](-4)     2.922e-20
+   [13C]H4         2.922e-20   2.927e-20   -19.534   -19.534     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.712e-31
-   [14C]H4         1.712e-31   1.715e-31   -30.766   -30.766     0.001     (0)  
+[14C](-4)     2.975e-33
+   [14C]H4         2.975e-33   2.980e-33   -32.527   -32.526     0.001     (0)  
 [14C](4)      6.686e-18
    H[14C]O3-       5.401e-18   4.941e-18   -17.268   -17.306    -0.039     (0)  
    [14C]O2         1.124e-18   1.126e-18   -17.949   -17.949     0.001     (0)  
    CaH[14C]O3+     1.140e-19   1.046e-19   -18.943   -18.980    -0.037     (0)  
-   H[14C]O2[18O]-   1.078e-20   9.858e-21   -19.968   -20.006    -0.039     (0)  
-   H[14C]O[18O]O-   1.078e-20   9.858e-21   -19.968   -20.006    -0.039     (0)  
    H[14C][18O]O2-   1.078e-20   9.858e-21   -19.968   -20.006    -0.039     (0)  
+   H[14C]O[18O]O-   1.078e-20   9.858e-21   -19.968   -20.006    -0.039     (0)  
+   H[14C]O2[18O]-   1.078e-20   9.858e-21   -19.968   -20.006    -0.039     (0)  
    Ca[14C]O3       6.252e-21   6.262e-21   -20.204   -20.203     0.001     (0)  
    [14C]O[18O]     4.673e-21   4.681e-21   -20.330   -20.330     0.001     (0)  
    [14C]O3-2       3.207e-21   2.247e-21   -20.494   -20.648    -0.155     (0)  
    CaH[14C]O2[18O]+   2.275e-22   2.087e-22   -21.643   -21.680    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.275e-22   2.087e-22   -21.643   -21.680    -0.037     (0)  
    CaH[14C][18O]O2+   2.275e-22   2.087e-22   -21.643   -21.680    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.275e-22   2.087e-22   -21.643   -21.680    -0.037     (0)  
    Ca[14C]O2[18O]   3.742e-23   3.748e-23   -22.427   -22.426     0.001     (0)  
    H[14C]O[18O]2-   2.150e-23   1.967e-23   -22.668   -22.706    -0.039     (0)  
    H[14C][18O]2O-   2.150e-23   1.967e-23   -22.668   -22.706    -0.039     (0)  
@@ -23274,29 +23280,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.877   -69.876     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.878   -72.877     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.997   -68.996     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.998   -71.997     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.91    -17.77   -2.86  [13C]H4
+  [13C]H4(g)      -16.67    -19.53   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.85    -23.35   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.91    -30.77   -2.86  [14C]H4
+  [14C]H4(g)      -29.67    -32.53   -2.86  [14C]H4
   [14C]O2(g)      -16.48    -17.95   -1.47  [14C]O2
   [14C]O[18O](g)  -18.86    -20.65   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.59    -72.88   -2.29  [18O]2
+  [18O]2(g)       -69.71    -72.00   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -23310,14 +23316,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.96    -15.82   -2.86  CH4
+  CH4(g)          -14.72    -17.58   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.30    -12.45   -3.15  H2
+  H2(g)            -9.74    -12.89   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.58    -67.48   -2.89  O2
-  O[18O](g)       -67.28    -70.18   -2.89  O[18O]
+  O2(g)           -63.70    -66.60   -2.89  O2
+  O[18O](g)       -66.40    -69.30   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -23341,12 +23347,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 90.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -23412,7 +23412,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 1.03963e-15	       0.088412  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9861  permil    
-     R(13C) HCO3-        	 1.11810e-02	       0.071858  permil    
+     R(13C) HCO3-        	 1.11810e-02	       0.071857  permil    
      R(14C) HCO3-        	 1.05779e-15	       0.089957  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9861  permil    
      R(13C) CO3-2        	 1.11650e-02	        -1.3633  permil    
@@ -23432,14 +23432,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.692e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.585e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.3323e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -5.3291e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -23457,16 +23457,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.315      Adjusted to redox equilibrium
+                                       pe  =  -2.079      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 122 (223 overall)
+                               Iterations  =  61
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -23478,14 +23478,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.020e-16
-   CH4             1.020e-16   1.022e-16   -15.991   -15.991     0.001     (0)  
+C(-4)         1.314e-18
+   CH4             1.314e-18   1.316e-18   -17.881   -17.881     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -23494,9 +23494,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -23504,23 +23504,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.381e-13
-   H2              3.191e-13   3.196e-13   -12.496   -12.495     0.001     (0)  
+H(0)          2.150e-13
+   H2              1.075e-13   1.077e-13   -12.969   -12.968     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.392   -67.391     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.791   -69.790     0.001     (0)  
-[13C](-4)     1.131e-18
-   [13C]H4         1.131e-18   1.132e-18   -17.947   -17.946     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.447   -66.446     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.846   -68.845     0.001     (0)  
+[13C](-4)     1.457e-20
+   [13C]H4         1.457e-20   1.459e-20   -19.837   -19.836     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -23529,56 +23529,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.060e-31
-   [14C]H4         1.060e-31   1.062e-31   -30.975   -30.974     0.001     (0)  
+[14C](-4)     1.366e-33
+   [14C]H4         1.366e-33   1.369e-33   -32.864   -32.864     0.001     (0)  
 [14C](4)      6.159e-18
    H[14C]O3-       4.975e-18   4.552e-18   -17.303   -17.342    -0.039     (0)  
    [14C]O2         1.035e-18   1.037e-18   -17.985   -17.984     0.001     (0)  
    CaH[14C]O3+     1.051e-19   9.638e-20   -18.979   -19.016    -0.037     (0)  
-   H[14C]O2[18O]-   9.927e-21   9.082e-21   -20.003   -20.042    -0.039     (0)  
-   H[14C]O[18O]O-   9.927e-21   9.082e-21   -20.003   -20.042    -0.039     (0)  
    H[14C][18O]O2-   9.927e-21   9.082e-21   -20.003   -20.042    -0.039     (0)  
+   H[14C]O[18O]O-   9.927e-21   9.082e-21   -20.003   -20.042    -0.039     (0)  
+   H[14C]O2[18O]-   9.927e-21   9.082e-21   -20.003   -20.042    -0.039     (0)  
    Ca[14C]O3       5.759e-21   5.769e-21   -20.240   -20.239     0.001     (0)  
    [14C]O[18O]     4.305e-21   4.312e-21   -20.366   -20.365     0.001     (0)  
    [14C]O3-2       2.955e-21   2.070e-21   -20.530   -20.684    -0.155     (0)  
    CaH[14C]O2[18O]+   2.096e-22   1.923e-22   -21.679   -21.716    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.096e-22   1.923e-22   -21.679   -21.716    -0.037     (0)  
    CaH[14C][18O]O2+   2.096e-22   1.923e-22   -21.679   -21.716    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.096e-22   1.923e-22   -21.679   -21.716    -0.037     (0)  
    Ca[14C]O2[18O]   3.447e-23   3.453e-23   -22.463   -22.462     0.001     (0)  
-   H[14C]O[18O]2-   1.981e-23   1.812e-23   -22.703   -22.742    -0.039     (0)  
    H[14C][18O]2O-   1.981e-23   1.812e-23   -22.703   -22.742    -0.039     (0)  
    H[14C][18O]O[18O]-   1.981e-23   1.812e-23   -22.703   -22.742    -0.039     (0)  
+   H[14C]O[18O]2-   1.981e-23   1.812e-23   -22.703   -22.742    -0.039     (0)  
    [14C]O2[18O]-2   1.768e-23   1.239e-23   -22.752   -22.907    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.791   -69.790     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.792   -72.791     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.846   -68.845     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.847   -71.846     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -15.09    -17.95   -2.86  [13C]H4
+  [13C]H4(g)      -16.98    -19.84   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.88    -23.38   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.11    -30.97   -2.86  [14C]H4
+  [14C]H4(g)      -30.00    -32.86   -2.86  [14C]H4
   [14C]O2(g)      -16.52    -17.98   -1.47  [14C]O2
   [14C]O[18O](g)  -18.90    -20.68   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.50    -72.79   -2.29  [18O]2
+  [18O]2(g)       -69.56    -71.85   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -23592,14 +23592,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -13.13    -15.99   -2.86  CH4
+  CH4(g)          -15.02    -17.88   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.35    -12.50   -3.15  H2
+  H2(g)            -9.82    -12.97   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.50    -67.39   -2.89  O2
-  O[18O](g)       -67.20    -70.09   -2.89  O[18O]
+  O2(g)           -63.55    -66.45   -2.89  O2
+  O[18O](g)       -66.25    -69.15   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -23623,6 +23623,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 91.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -23708,14 +23714,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5146e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6089e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -7.7716e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -8.2157e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    4.4409e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    4.2188e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -23733,16 +23739,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.333      Adjusted to redox equilibrium
+                                       pe  =  -2.096      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.834e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  92
+                               Iterations  =  58 (159 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -23754,25 +23760,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.424e-16
-   CH4             1.424e-16   1.426e-16   -15.847   -15.846     0.001     (0)  
+C(-4)         1.788e-18
+   CH4             1.788e-18   1.791e-18   -17.748   -17.747     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -23780,81 +23786,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.936e-13
-   H2              3.468e-13   3.474e-13   -12.460   -12.459     0.001     (0)  
+H(0)          2.322e-13
+   H2              1.161e-13   1.163e-13   -12.935   -12.934     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.464   -67.463     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.863   -69.862     0.001     (0)  
-[13C](-4)     1.578e-18
-   [13C]H4         1.578e-18   1.581e-18   -17.802   -17.801     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.514   -66.513     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.913   -68.912     0.001     (0)  
+[13C](-4)     1.982e-20
+   [13C]H4         1.982e-20   1.985e-20   -19.703   -19.702     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.363e-31
-   [14C]H4         1.363e-31   1.366e-31   -30.865   -30.865     0.001     (0)  
+[14C](-4)     1.713e-33
+   [14C]H4         1.713e-33   1.715e-33   -32.766   -32.766     0.001     (0)  
 [14C](4)      5.674e-18
    H[14C]O3-       4.583e-18   4.193e-18   -17.339   -17.377    -0.039     (0)  
    [14C]O2         9.537e-19   9.553e-19   -18.021   -18.020     0.001     (0)  
    CaH[14C]O3+     9.679e-20   8.878e-20   -19.014   -19.052    -0.037     (0)  
-   H[14C]O2[18O]-   9.145e-21   8.366e-21   -20.039   -20.077    -0.039     (0)  
-   H[14C]O[18O]O-   9.145e-21   8.366e-21   -20.039   -20.077    -0.039     (0)  
    H[14C][18O]O2-   9.145e-21   8.366e-21   -20.039   -20.077    -0.039     (0)  
+   H[14C]O[18O]O-   9.145e-21   8.366e-21   -20.039   -20.077    -0.039     (0)  
+   H[14C]O2[18O]-   9.145e-21   8.366e-21   -20.039   -20.077    -0.039     (0)  
    Ca[14C]O3       5.306e-21   5.315e-21   -20.275   -20.275     0.001     (0)  
    [14C]O[18O]     3.966e-21   3.972e-21   -20.402   -20.401     0.001     (0)  
    [14C]O3-2       2.722e-21   1.907e-21   -20.565   -20.720    -0.155     (0)  
    CaH[14C]O2[18O]+   1.931e-22   1.771e-22   -21.714   -21.752    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.931e-22   1.771e-22   -21.714   -21.752    -0.037     (0)  
    CaH[14C][18O]O2+   1.931e-22   1.771e-22   -21.714   -21.752    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.931e-22   1.771e-22   -21.714   -21.752    -0.037     (0)  
    Ca[14C]O2[18O]   3.176e-23   3.181e-23   -22.498   -22.497     0.001     (0)  
+   H[14C][18O]O[18O]-   1.825e-23   1.669e-23   -22.739   -22.777    -0.039     (0)  
    H[14C]O[18O]2-   1.825e-23   1.669e-23   -22.739   -22.777    -0.039     (0)  
    H[14C][18O]2O-   1.825e-23   1.669e-23   -22.739   -22.777    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.825e-23   1.669e-23   -22.739   -22.777    -0.039     (0)  
    [14C]O2[18O]-2   1.629e-23   1.141e-23   -22.788   -22.943    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.863   -69.862     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.864   -72.863     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.913   -68.912     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.914   -71.913     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.94    -17.80   -2.86  [13C]H4
+  [13C]H4(g)      -16.84    -19.70   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.92    -23.42   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.00    -30.86   -2.86  [14C]H4
+  [14C]H4(g)      -29.91    -32.77   -2.86  [14C]H4
   [14C]O2(g)      -16.55    -18.02   -1.47  [14C]O2
   [14C]O[18O](g)  -18.93    -20.72   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.57    -72.86   -2.29  [18O]2
+  [18O]2(g)       -69.62    -71.91   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -23868,14 +23874,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.99    -15.85   -2.86  CH4
+  CH4(g)          -14.89    -17.75   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.31    -12.46   -3.15  H2
+  H2(g)            -9.78    -12.93   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.57    -67.46   -2.89  O2
-  O[18O](g)       -67.27    -70.16   -2.89  O[18O]
+  O2(g)           -63.62    -66.51   -2.89  O2
+  O[18O](g)       -66.32    -69.21   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -23899,12 +23905,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 92.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -23979,7 +23979,7 @@ Calcite                                     5.00e-04
      R(14C) CH4(aq)      	 8.82289e-16	       0.075032  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.661  permil    
      R(13C) Calcite      	 1.12032e-02	         2.0556  permil    
-     R(14C) Calcite      	 9.01268e-16	       0.076646  pmc       
+     R(14C) Calcite      	 9.01267e-16	       0.076646  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -23990,14 +23990,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6337e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7676e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.1102e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.3323e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    3.3307e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    -4.996e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -24015,16 +24015,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.343      Adjusted to redox equilibrium
+                                       pe  =  -2.073      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 109 (210 overall)
+                               Iterations  =  55
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -24036,15 +24036,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.712e-16
-   CH4             1.712e-16   1.715e-16   -15.767   -15.766     0.001     (0)  
+C(-4)         1.170e-18
+   CH4             1.170e-18   1.172e-18   -17.932   -17.931     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -24052,9 +24052,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -24062,50 +24062,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.263e-13
-   H2              3.632e-13   3.638e-13   -12.440   -12.439     0.001     (0)  
+H(0)          2.089e-13
+   H2              1.044e-13   1.046e-13   -12.981   -12.980     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.504   -67.503     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.903   -69.902     0.001     (0)  
-[13C](-4)     1.898e-18
-   [13C]H4         1.898e-18   1.901e-18   -17.722   -17.721     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.422   -66.421     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.821   -68.820     0.001     (0)  
+[13C](-4)     1.297e-20
+   [13C]H4         1.297e-20   1.299e-20   -19.887   -19.886     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.510e-31
-   [14C]H4         1.510e-31   1.513e-31   -30.821   -30.820     0.001     (0)  
+[14C](-4)     1.033e-33
+   [14C]H4         1.033e-33   1.034e-33   -32.986   -32.985     0.001     (0)  
 [14C](4)      5.227e-18
    H[14C]O3-       4.222e-18   3.863e-18   -17.374   -17.413    -0.039     (0)  
    [14C]O2         8.786e-19   8.800e-19   -18.056   -18.056     0.001     (0)  
    CaH[14C]O3+     8.916e-20   8.179e-20   -19.050   -19.087    -0.037     (0)  
-   H[14C]O2[18O]-   8.424e-21   7.707e-21   -20.074   -20.113    -0.039     (0)  
-   H[14C]O[18O]O-   8.424e-21   7.707e-21   -20.074   -20.113    -0.039     (0)  
    H[14C][18O]O2-   8.424e-21   7.707e-21   -20.074   -20.113    -0.039     (0)  
+   H[14C]O[18O]O-   8.424e-21   7.707e-21   -20.074   -20.113    -0.039     (0)  
+   H[14C]O2[18O]-   8.424e-21   7.707e-21   -20.074   -20.113    -0.039     (0)  
    Ca[14C]O3       4.888e-21   4.896e-21   -20.311   -20.310     0.001     (0)  
    [14C]O[18O]     3.653e-21   3.659e-21   -20.437   -20.437     0.001     (0)  
    [14C]O3-2       2.507e-21   1.757e-21   -20.601   -20.755    -0.155     (0)  
    CaH[14C]O2[18O]+   1.779e-22   1.632e-22   -21.750   -21.787    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.779e-22   1.632e-22   -21.750   -21.787    -0.037     (0)  
    CaH[14C][18O]O2+   1.779e-22   1.632e-22   -21.750   -21.787    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.779e-22   1.632e-22   -21.750   -21.787    -0.037     (0)  
    Ca[14C]O2[18O]   2.926e-23   2.930e-23   -22.534   -22.533     0.001     (0)  
    H[14C]O[18O]2-   1.681e-23   1.538e-23   -22.774   -22.813    -0.039     (0)  
    H[14C][18O]2O-   1.681e-23   1.538e-23   -22.774   -22.813    -0.039     (0)  
@@ -24114,29 +24114,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.903   -69.902     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.904   -72.903     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.821   -68.820     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.822   -71.821     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.86    -17.72   -2.86  [13C]H4
+  [13C]H4(g)      -17.03    -19.89   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.95    -23.46   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.96    -30.82   -2.86  [14C]H4
+  [14C]H4(g)      -30.13    -32.99   -2.86  [14C]H4
   [14C]O2(g)      -16.59    -18.06   -1.47  [14C]O2
   [14C]O[18O](g)  -18.97    -20.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.61    -72.90   -2.29  [18O]2
+  [18O]2(g)       -69.53    -71.82   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -24150,14 +24150,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.91    -15.77   -2.86  CH4
+  CH4(g)          -15.07    -17.93   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.29    -12.44   -3.15  H2
+  H2(g)            -9.83    -12.98   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.61    -67.50   -2.89  O2
-  O[18O](g)       -67.31    -70.20   -2.89  O[18O]
+  O2(g)           -63.53    -66.42   -2.89  O2
+  O[18O](g)       -66.23    -69.12   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -24181,12 +24181,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 93.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -24272,14 +24266,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6092e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5781e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.9984e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -8.2157e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -24297,16 +24291,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.346      Adjusted to redox equilibrium
+                                       pe  =  -2.109      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  80 (181 overall)
+                               Iterations  =  64
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -24318,25 +24312,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.806e-16
-   CH4             1.806e-16   1.809e-16   -15.743   -15.743     0.001     (0)  
+C(-4)         2.300e-18
+   CH4             2.300e-18   2.303e-18   -17.638   -17.638     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -24344,23 +24338,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.361e-13
-   H2              3.681e-13   3.687e-13   -12.434   -12.433     0.001     (0)  
+H(0)          2.473e-13
+   H2              1.236e-13   1.238e-13   -12.908   -12.907     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.516   -67.515     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.915   -69.914     0.001     (0)  
-[13C](-4)     2.002e-18
-   [13C]H4         2.002e-18   2.005e-18   -17.699   -17.698     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.568   -66.567     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.967   -68.966     0.001     (0)  
+[13C](-4)     2.549e-20
+   [13C]H4         2.549e-20   2.553e-20   -19.594   -19.593     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -24369,56 +24363,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.468e-31
-   [14C]H4         1.468e-31   1.471e-31   -30.833   -30.833     0.001     (0)  
+[14C](-4)     1.869e-33
+   [14C]H4         1.869e-33   1.872e-33   -32.728   -32.728     0.001     (0)  
 [14C](4)      4.815e-18
    H[14C]O3-       3.890e-18   3.559e-18   -17.410   -17.449    -0.039     (0)  
    [14C]O2         8.094e-19   8.107e-19   -18.092   -18.091     0.001     (0)  
    CaH[14C]O3+     8.214e-20   7.535e-20   -19.085   -19.123    -0.037     (0)  
-   H[14C]O2[18O]-   7.761e-21   7.100e-21   -20.110   -20.149    -0.039     (0)  
-   H[14C]O[18O]O-   7.761e-21   7.100e-21   -20.110   -20.149    -0.039     (0)  
    H[14C][18O]O2-   7.761e-21   7.100e-21   -20.110   -20.149    -0.039     (0)  
+   H[14C]O[18O]O-   7.761e-21   7.100e-21   -20.110   -20.149    -0.039     (0)  
+   H[14C]O2[18O]-   7.761e-21   7.100e-21   -20.110   -20.149    -0.039     (0)  
    Ca[14C]O3       4.503e-21   4.510e-21   -20.347   -20.346     0.001     (0)  
    [14C]O[18O]     3.366e-21   3.371e-21   -20.473   -20.472     0.001     (0)  
    [14C]O3-2       2.310e-21   1.618e-21   -20.636   -20.791    -0.155     (0)  
    CaH[14C]O2[18O]+   1.639e-22   1.503e-22   -21.785   -21.823    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.639e-22   1.503e-22   -21.785   -21.823    -0.037     (0)  
    CaH[14C][18O]O2+   1.639e-22   1.503e-22   -21.785   -21.823    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.639e-22   1.503e-22   -21.785   -21.823    -0.037     (0)  
    Ca[14C]O2[18O]   2.695e-23   2.700e-23   -22.569   -22.569     0.001     (0)  
-   H[14C]O[18O]2-   1.548e-23   1.417e-23   -22.810   -22.849    -0.039     (0)  
    H[14C][18O]2O-   1.548e-23   1.417e-23   -22.810   -22.849    -0.039     (0)  
    H[14C][18O]O[18O]-   1.548e-23   1.417e-23   -22.810   -22.849    -0.039     (0)  
+   H[14C]O[18O]2-   1.548e-23   1.417e-23   -22.810   -22.849    -0.039     (0)  
    [14C]O2[18O]-2   1.383e-23   9.686e-24   -22.859   -23.014    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.915   -69.914     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.916   -72.915     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -68.967   -68.966     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -71.968   -71.968     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.84    -17.70   -2.86  [13C]H4
+  [13C]H4(g)      -16.73    -19.59   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -21.99    -23.49   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.97    -30.83   -2.86  [14C]H4
+  [14C]H4(g)      -29.87    -32.73   -2.86  [14C]H4
   [14C]O2(g)      -16.62    -18.09   -1.47  [14C]O2
   [14C]O[18O](g)  -19.00    -20.79   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.62    -72.92   -2.29  [18O]2
+  [18O]2(g)       -69.68    -71.97   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -24432,14 +24426,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.88    -15.74   -2.86  CH4
+  CH4(g)          -14.78    -17.64   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.28    -12.43   -3.15  H2
+  H2(g)            -9.76    -12.91   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.62    -67.52   -2.89  O2
-  O[18O](g)       -67.32    -70.22   -2.89  O[18O]
+  O2(g)           -63.68    -66.57   -2.89  O2
+  O[18O](g)       -66.38    -69.27   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -24463,12 +24457,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 94.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -24534,7 +24522,7 @@ Calcite                                     5.00e-04
      R(14C) CO2(aq)      	 7.48764e-16	       0.063677  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9855  permil    
-     R(13C) HCO3-        	 1.11811e-02	       0.077218  permil    
+     R(13C) HCO3-        	 1.11811e-02	       0.077217  permil    
      R(14C) HCO3-        	 7.61849e-16	       0.064789  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9855  permil    
      R(13C) CO3-2        	 1.11650e-02	         -1.358  permil    
@@ -24554,14 +24542,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6176e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.653e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1102e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    8.2157e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    8.4377e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -24579,16 +24567,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.344      Adjusted to redox equilibrium
+                                       pe  =  -2.118      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 118 (219 overall)
+                               Iterations  =  97
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -24600,15 +24588,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.741e-16
-   CH4             1.741e-16   1.743e-16   -15.759   -15.759     0.001     (0)  
+C(-4)         2.727e-18
+   CH4             2.727e-18   2.732e-18   -17.564   -17.564     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -24616,9 +24604,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -24626,81 +24614,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.294e-13
-   H2              3.647e-13   3.653e-13   -12.438   -12.437     0.001     (0)  
+H(0)          2.580e-13
+   H2              1.290e-13   1.292e-13   -12.889   -12.889     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.508   -67.507     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.907   -69.906     0.001     (0)  
-[13C](-4)     1.929e-18
-   [13C]H4         1.929e-18   1.933e-18   -17.715   -17.714     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.605   -66.605     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.004   -69.004     0.001     (0)  
+[13C](-4)     3.023e-20
+   [13C]H4         3.023e-20   3.028e-20   -19.520   -19.519     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.303e-31
-   [14C]H4         1.303e-31   1.305e-31   -30.885   -30.884     0.001     (0)  
+[14C](-4)     2.042e-33
+   [14C]H4         2.042e-33   2.046e-33   -32.690   -32.689     0.001     (0)  
 [14C](4)      4.436e-18
    H[14C]O3-       3.583e-18   3.278e-18   -17.446   -17.484    -0.039     (0)  
    [14C]O2         7.456e-19   7.468e-19   -18.127   -18.127     0.001     (0)  
    CaH[14C]O3+     7.567e-20   6.941e-20   -19.121   -19.159    -0.037     (0)  
-   H[14C]O2[18O]-   7.149e-21   6.541e-21   -20.146   -20.184    -0.039     (0)  
-   H[14C]O[18O]O-   7.149e-21   6.541e-21   -20.146   -20.184    -0.039     (0)  
    H[14C][18O]O2-   7.149e-21   6.541e-21   -20.146   -20.184    -0.039     (0)  
+   H[14C]O[18O]O-   7.149e-21   6.541e-21   -20.146   -20.184    -0.039     (0)  
+   H[14C]O2[18O]-   7.149e-21   6.541e-21   -20.146   -20.184    -0.039     (0)  
    Ca[14C]O3       4.148e-21   4.155e-21   -20.382   -20.381     0.001     (0)  
    [14C]O[18O]     3.100e-21   3.106e-21   -20.509   -20.508     0.001     (0)  
    [14C]O3-2       2.128e-21   1.491e-21   -20.672   -20.827    -0.155     (0)  
    CaH[14C]O2[18O]+   1.510e-22   1.385e-22   -21.821   -21.859    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.510e-22   1.385e-22   -21.821   -21.859    -0.037     (0)  
    CaH[14C][18O]O2+   1.510e-22   1.385e-22   -21.821   -21.859    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.510e-22   1.385e-22   -21.821   -21.859    -0.037     (0)  
    Ca[14C]O2[18O]   2.483e-23   2.487e-23   -22.605   -22.604     0.001     (0)  
+   H[14C][18O]O[18O]-   1.426e-23   1.305e-23   -22.846   -22.884    -0.039     (0)  
    H[14C]O[18O]2-   1.426e-23   1.305e-23   -22.846   -22.884    -0.039     (0)  
    H[14C][18O]2O-   1.426e-23   1.305e-23   -22.846   -22.884    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.426e-23   1.305e-23   -22.846   -22.884    -0.039     (0)  
    [14C]O2[18O]-2   1.274e-23   8.923e-24   -22.895   -23.049    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.907   -69.906     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.908   -72.907     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.004   -69.004     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.005   -72.005     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.85    -17.71   -2.86  [13C]H4
+  [13C]H4(g)      -16.66    -19.52   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.02    -23.53   -1.50  [14C][18O]2
-  [14C]H4(g)      -28.02    -30.88   -2.86  [14C]H4
+  [14C]H4(g)      -29.83    -32.69   -2.86  [14C]H4
   [14C]O2(g)      -16.66    -18.13   -1.47  [14C]O2
   [14C]O[18O](g)  -19.04    -20.83   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.62    -72.91   -2.29  [18O]2
+  [18O]2(g)       -69.71    -72.00   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -24714,14 +24702,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.90    -15.76   -2.86  CH4
+  CH4(g)          -14.70    -17.56   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.29    -12.44   -3.15  H2
+  H2(g)            -9.74    -12.89   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.61    -67.51   -2.89  O2
-  O[18O](g)       -67.31    -70.21   -2.89  O[18O]
+  O2(g)           -63.71    -66.60   -2.89  O2
+  O[18O](g)       -66.41    -69.30   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -24836,14 +24824,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5629e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7333e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    2.6645e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    8.8818e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.5321e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -24861,16 +24849,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.363      Adjusted to redox equilibrium
+                                       pe  =  -2.160      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.424e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  99 (200 overall)
+                               Iterations  =  82 (183 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -24882,25 +24870,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.476e-16
-   CH4             2.476e-16   2.480e-16   -15.606   -15.606     0.001     (0)  
+C(-4)         5.816e-18
+   CH4             5.816e-18   5.826e-18   -17.235   -17.235     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -24908,50 +24896,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.965e-13
-   H2              3.982e-13   3.989e-13   -12.400   -12.399     0.001     (0)  
+H(0)          3.118e-13
+   H2              1.559e-13   1.562e-13   -12.807   -12.806     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.584   -67.583     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.983   -69.982     0.001     (0)  
-[13C](-4)     2.744e-18
-   [13C]H4         2.744e-18   2.749e-18   -17.562   -17.561     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.770   -66.769     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.169   -69.168     0.001     (0)  
+[13C](-4)     6.447e-20
+   [13C]H4         6.447e-20   6.458e-20   -19.191   -19.190     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.708e-31
-   [14C]H4         1.708e-31   1.710e-31   -30.768   -30.767     0.001     (0)  
+[14C](-4)     4.012e-33
+   [14C]H4         4.012e-33   4.019e-33   -32.397   -32.396     0.001     (0)  
 [14C](4)      4.087e-18
    H[14C]O3-       3.301e-18   3.020e-18   -17.481   -17.520    -0.039     (0)  
    [14C]O2         6.869e-19   6.880e-19   -18.163   -18.162     0.001     (0)  
    CaH[14C]O3+     6.971e-20   6.394e-20   -19.157   -19.194    -0.037     (0)  
-   H[14C]O2[18O]-   6.586e-21   6.026e-21   -20.181   -20.220    -0.039     (0)  
-   H[14C]O[18O]O-   6.586e-21   6.026e-21   -20.181   -20.220    -0.039     (0)  
    H[14C][18O]O2-   6.586e-21   6.026e-21   -20.181   -20.220    -0.039     (0)  
+   H[14C]O[18O]O-   6.586e-21   6.026e-21   -20.181   -20.220    -0.039     (0)  
+   H[14C]O2[18O]-   6.586e-21   6.026e-21   -20.181   -20.220    -0.039     (0)  
    Ca[14C]O3       3.821e-21   3.828e-21   -20.418   -20.417     0.001     (0)  
    [14C]O[18O]     2.856e-21   2.861e-21   -20.544   -20.543     0.001     (0)  
    [14C]O3-2       1.960e-21   1.373e-21   -20.708   -20.862    -0.155     (0)  
    CaH[14C]O2[18O]+   1.391e-22   1.276e-22   -21.857   -21.894    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.391e-22   1.276e-22   -21.857   -21.894    -0.037     (0)  
    CaH[14C][18O]O2+   1.391e-22   1.276e-22   -21.857   -21.894    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.391e-22   1.276e-22   -21.857   -21.894    -0.037     (0)  
    Ca[14C]O2[18O]   2.287e-23   2.291e-23   -22.641   -22.640     0.001     (0)  
    H[14C]O[18O]2-   1.314e-23   1.202e-23   -22.881   -22.920    -0.039     (0)  
    H[14C][18O]2O-   1.314e-23   1.202e-23   -22.881   -22.920    -0.039     (0)  
@@ -24960,29 +24948,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.983   -69.982     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.984   -72.984     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.169   -69.168     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.170   -72.169     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.70    -17.56   -2.86  [13C]H4
+  [13C]H4(g)      -16.33    -19.19   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.06    -23.56   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.91    -30.77   -2.86  [14C]H4
+  [14C]H4(g)      -29.54    -32.40   -2.86  [14C]H4
   [14C]O2(g)      -16.69    -18.16   -1.47  [14C]O2
   [14C]O[18O](g)  -19.08    -20.86   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.69    -72.98   -2.29  [18O]2
+  [18O]2(g)       -69.88    -72.17   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -24996,14 +24984,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.75    -15.61   -2.86  CH4
+  CH4(g)          -14.37    -17.23   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.25    -12.40   -3.15  H2
+  H2(g)            -9.66    -12.81   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.69    -67.58   -2.89  O2
-  O[18O](g)       -67.39    -70.28   -2.89  O[18O]
+  O2(g)           -63.88    -66.77   -2.89  O2
+  O[18O](g)       -66.58    -69.47   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -25027,6 +25015,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 96.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -25112,14 +25106,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7717e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6745e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -4.2188e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.0436e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -1.8763e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -25137,16 +25131,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.357      Adjusted to redox equilibrium
+                                       pe  =  -2.144      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.429e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  64
+                               Iterations  = 105 (206 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -25158,14 +25152,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.213e-16
-   CH4             2.213e-16   2.217e-16   -15.655   -15.654     0.001     (0)  
+C(-4)         4.373e-18
+   CH4             4.373e-18   4.380e-18   -17.359   -17.359     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -25174,9 +25168,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -25184,23 +25178,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.745e-13
-   H2              3.872e-13   3.879e-13   -12.412   -12.411     0.001     (0)  
+H(0)          2.904e-13
+   H2              1.452e-13   1.454e-13   -12.838   -12.837     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.560   -67.559     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -69.959   -69.958     0.001     (0)  
-[13C](-4)     2.453e-18
-   [13C]H4         2.453e-18   2.457e-18   -17.610   -17.610     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.708   -66.707     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.107   -69.106     0.001     (0)  
+[13C](-4)     4.847e-20
+   [13C]H4         4.847e-20   4.855e-20   -19.315   -19.314     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
@@ -25209,56 +25203,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.406e-31
-   [14C]H4         1.406e-31   1.409e-31   -30.852   -30.851     0.001     (0)  
+[14C](-4)     2.779e-33
+   [14C]H4         2.779e-33   2.783e-33   -32.556   -32.555     0.001     (0)  
 [14C](4)      3.765e-18
    H[14C]O3-       3.041e-18   2.782e-18   -17.517   -17.556    -0.039     (0)  
    [14C]O2         6.328e-19   6.338e-19   -18.199   -18.198     0.001     (0)  
    CaH[14C]O3+     6.422e-20   5.891e-20   -19.192   -19.230    -0.037     (0)  
-   H[14C]O2[18O]-   6.067e-21   5.551e-21   -20.217   -20.256    -0.039     (0)  
-   H[14C]O[18O]O-   6.067e-21   5.551e-21   -20.217   -20.256    -0.039     (0)  
    H[14C][18O]O2-   6.067e-21   5.551e-21   -20.217   -20.256    -0.039     (0)  
+   H[14C]O[18O]O-   6.067e-21   5.551e-21   -20.217   -20.256    -0.039     (0)  
+   H[14C]O2[18O]-   6.067e-21   5.551e-21   -20.217   -20.256    -0.039     (0)  
    Ca[14C]O3       3.520e-21   3.526e-21   -20.453   -20.453     0.001     (0)  
    [14C]O[18O]     2.631e-21   2.636e-21   -20.580   -20.579     0.001     (0)  
    [14C]O3-2       1.806e-21   1.265e-21   -20.743   -20.898    -0.155     (0)  
    CaH[14C]O2[18O]+   1.281e-22   1.175e-22   -21.892   -21.930    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.281e-22   1.175e-22   -21.892   -21.930    -0.037     (0)  
    CaH[14C][18O]O2+   1.281e-22   1.175e-22   -21.892   -21.930    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.281e-22   1.175e-22   -21.892   -21.930    -0.037     (0)  
    Ca[14C]O2[18O]   2.107e-23   2.111e-23   -22.676   -22.676     0.001     (0)  
-   H[14C]O[18O]2-   1.211e-23   1.108e-23   -22.917   -22.956    -0.039     (0)  
    H[14C][18O]2O-   1.211e-23   1.108e-23   -22.917   -22.956    -0.039     (0)  
    H[14C][18O]O[18O]-   1.211e-23   1.108e-23   -22.917   -22.956    -0.039     (0)  
+   H[14C]O[18O]2-   1.211e-23   1.108e-23   -22.917   -22.956    -0.039     (0)  
    [14C]O2[18O]-2   1.081e-23   7.572e-24   -22.966   -23.121    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -69.959   -69.958     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -72.960   -72.959     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.107   -69.106     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.108   -72.107     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.75    -17.61   -2.86  [13C]H4
+  [13C]H4(g)      -16.45    -19.31   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.09    -23.60   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.99    -30.85   -2.86  [14C]H4
+  [14C]H4(g)      -29.70    -32.56   -2.86  [14C]H4
   [14C]O2(g)      -16.73    -18.20   -1.47  [14C]O2
   [14C]O[18O](g)  -19.11    -20.90   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.67    -72.96   -2.29  [18O]2
+  [18O]2(g)       -69.82    -72.11   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -25272,14 +25266,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.79    -15.65   -2.86  CH4
+  CH4(g)          -14.50    -17.36   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.26    -12.41   -3.15  H2
+  H2(g)            -9.69    -12.84   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.67    -67.56   -2.89  O2
-  O[18O](g)       -67.37    -70.26   -2.89  O[18O]
+  O2(g)           -63.81    -66.71   -2.89  O2
+  O[18O](g)       -66.51    -69.41   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -25388,14 +25382,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6959e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8087e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.5321e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    9.1038e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -8.2157e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -25413,16 +25407,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.372      Adjusted to redox equilibrium
+                                       pe  =  -2.167      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.429e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  60
+                               Iterations  =  98
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -25434,25 +25428,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         2.914e-16
-   CH4             2.914e-16   2.918e-16   -15.536   -15.535     0.001     (0)  
+C(-4)         6.711e-18
+   CH4             6.711e-18   6.722e-18   -17.173   -17.172     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -25460,81 +25454,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.296e-13
-   H2              4.148e-13   4.155e-13   -12.382   -12.381     0.001     (0)  
+H(0)          3.232e-13
+   H2              1.616e-13   1.619e-13   -12.792   -12.791     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.620   -67.619     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.019   -70.018     0.001     (0)  
-[13C](-4)     3.230e-18
-   [13C]H4         3.230e-18   3.235e-18   -17.491   -17.490     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.801   -66.800     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.200   -69.199     0.001     (0)  
+[13C](-4)     7.439e-20
+   [13C]H4         7.439e-20   7.451e-20   -19.128   -19.128     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.597e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     1.706e-31
-   [14C]H4         1.706e-31   1.708e-31   -30.768   -30.767     0.001     (0)  
+[14C](-4)     3.929e-33
+   [14C]H4         3.929e-33   3.935e-33   -32.406   -32.405     0.001     (0)  
 [14C](4)      3.468e-18
    H[14C]O3-       2.801e-18   2.563e-18   -17.553   -17.591    -0.039     (0)  
    [14C]O2         5.829e-19   5.839e-19   -18.234   -18.234     0.001     (0)  
    CaH[14C]O3+     5.916e-20   5.427e-20   -19.228   -19.265    -0.037     (0)  
-   H[14C]O2[18O]-   5.589e-21   5.114e-21   -20.253   -20.291    -0.039     (0)  
-   H[14C]O[18O]O-   5.589e-21   5.114e-21   -20.253   -20.291    -0.039     (0)  
    H[14C][18O]O2-   5.589e-21   5.114e-21   -20.253   -20.291    -0.039     (0)  
+   H[14C]O[18O]O-   5.589e-21   5.114e-21   -20.253   -20.291    -0.039     (0)  
+   H[14C]O2[18O]-   5.589e-21   5.114e-21   -20.253   -20.291    -0.039     (0)  
    Ca[14C]O3       3.243e-21   3.248e-21   -20.489   -20.488     0.001     (0)  
    [14C]O[18O]     2.424e-21   2.428e-21   -20.615   -20.615     0.001     (0)  
    [14C]O3-2       1.664e-21   1.165e-21   -20.779   -20.934    -0.155     (0)  
    CaH[14C]O2[18O]+   1.180e-22   1.083e-22   -21.928   -21.965    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.180e-22   1.083e-22   -21.928   -21.965    -0.037     (0)  
    CaH[14C][18O]O2+   1.180e-22   1.083e-22   -21.928   -21.965    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.180e-22   1.083e-22   -21.928   -21.965    -0.037     (0)  
    Ca[14C]O2[18O]   1.941e-23   1.944e-23   -22.712   -22.711     0.001     (0)  
+   H[14C][18O]O[18O]-   1.115e-23   1.020e-23   -22.953   -22.991    -0.039     (0)  
    H[14C]O[18O]2-   1.115e-23   1.020e-23   -22.953   -22.991    -0.039     (0)  
    H[14C][18O]2O-   1.115e-23   1.020e-23   -22.953   -22.991    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.115e-23   1.020e-23   -22.953   -22.991    -0.039     (0)  
    [14C]O2[18O]-2   9.958e-24   6.976e-24   -23.002   -23.156    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.019   -70.018     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.020   -73.019     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.200   -69.199     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.201   -72.200     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.63    -17.49   -2.86  [13C]H4
+  [13C]H4(g)      -16.27    -19.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.13    -23.63   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.91    -30.77   -2.86  [14C]H4
+  [14C]H4(g)      -29.55    -32.41   -2.86  [14C]H4
   [14C]O2(g)      -16.77    -18.23   -1.47  [14C]O2
   [14C]O[18O](g)  -19.15    -20.93   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.73    -73.02   -2.29  [18O]2
+  [18O]2(g)       -69.91    -72.20   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -25548,14 +25542,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.67    -15.53   -2.86  CH4
+  CH4(g)          -14.31    -17.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.23    -12.38   -3.15  H2
+  H2(g)            -9.64    -12.79   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.73    -67.62   -2.89  O2
-  O[18O](g)       -67.43    -70.32   -2.89  O[18O]
+  O2(g)           -63.91    -66.80   -2.89  O2
+  O[18O](g)       -66.61    -69.50   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -25585,6 +25579,12 @@ WARNING: Numerical method failed with this set of convergence parameters.
 
 WARNING: Trying reduced tolerance 1e-16 ...
 
+WARNING: Maximum iterations exceeded, 200
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying increased tolerance 1e-14 ...
+
 Using solution 1.	Solution after simulation 98.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -25670,14 +25670,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6843e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6593e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.8874e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -3.9968e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -8.8818e-13             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -2.1427e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -25695,16 +25695,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.387      Adjusted to redox equilibrium
+                                       pe  =  -2.188      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  57 (158 overall)
+                               Iterations  = 115 (417 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -25716,15 +25716,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         3.806e-16
-   CH4             3.806e-16   3.812e-16   -15.420   -15.419     0.001     (0)  
+C(-4)         9.738e-18
+   CH4             9.738e-18   9.754e-18   -17.012   -17.011     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -25732,9 +25732,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -25742,50 +25742,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.869e-13
-   H2              4.435e-13   4.442e-13   -12.353   -12.352     0.001     (0)  
+H(0)          3.547e-13
+   H2              1.774e-13   1.777e-13   -12.751   -12.750     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.678   -67.677     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.077   -70.076     0.001     (0)  
-[13C](-4)     4.219e-18
-   [13C]H4         4.219e-18   4.226e-18   -17.375   -17.374     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -66.882   -66.881     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.281   -69.280     0.001     (0)  
+[13C](-4)     1.079e-19
+   [13C]H4         1.079e-19   1.081e-19   -18.967   -18.966     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.093e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.053e-31
-   [14C]H4         2.053e-31   2.056e-31   -30.688   -30.687     0.001     (0)  
+[14C](-4)     5.252e-33
+   [14C]H4         5.252e-33   5.260e-33   -32.280   -32.279     0.001     (0)  
 [14C](4)      3.195e-18
    H[14C]O3-       2.581e-18   2.361e-18   -17.588   -17.627    -0.039     (0)  
    [14C]O2         5.370e-19   5.379e-19   -18.270   -18.269     0.001     (0)  
    CaH[14C]O3+     5.450e-20   4.999e-20   -19.264   -19.301    -0.037     (0)  
-   H[14C]O2[18O]-   5.149e-21   4.711e-21   -20.288   -20.327    -0.039     (0)  
-   H[14C]O[18O]O-   5.149e-21   4.711e-21   -20.288   -20.327    -0.039     (0)  
    H[14C][18O]O2-   5.149e-21   4.711e-21   -20.288   -20.327    -0.039     (0)  
+   H[14C]O[18O]O-   5.149e-21   4.711e-21   -20.288   -20.327    -0.039     (0)  
+   H[14C]O2[18O]-   5.149e-21   4.711e-21   -20.288   -20.327    -0.039     (0)  
    Ca[14C]O3       2.988e-21   2.992e-21   -20.525   -20.524     0.001     (0)  
    [14C]O[18O]     2.233e-21   2.237e-21   -20.651   -20.650     0.001     (0)  
    [14C]O3-2       1.533e-21   1.074e-21   -20.815   -20.969    -0.155     (0)  
    CaH[14C]O2[18O]+   1.087e-22   9.974e-23   -21.964   -22.001    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.087e-22   9.974e-23   -21.964   -22.001    -0.037     (0)  
    CaH[14C][18O]O2+   1.087e-22   9.974e-23   -21.964   -22.001    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.087e-22   9.974e-23   -21.964   -22.001    -0.037     (0)  
    Ca[14C]O2[18O]   1.788e-23   1.791e-23   -22.748   -22.747     0.001     (0)  
    H[14C]O[18O]2-   1.027e-23   9.399e-24   -22.988   -23.027    -0.039     (0)  
    H[14C][18O]2O-   1.027e-23   9.399e-24   -22.988   -23.027    -0.039     (0)  
@@ -25794,29 +25794,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.077   -70.076     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.078   -73.077     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.281   -69.280     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.282   -72.281     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.51    -17.37   -2.86  [13C]H4
+  [13C]H4(g)      -16.11    -18.97   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.17    -23.67   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.83    -30.69   -2.86  [14C]H4
+  [14C]H4(g)      -29.42    -32.28   -2.86  [14C]H4
   [14C]O2(g)      -16.80    -18.27   -1.47  [14C]O2
   [14C]O[18O](g)  -19.18    -20.97   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.79    -73.08   -2.29  [18O]2
+  [18O]2(g)       -69.99    -72.28   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -25830,14 +25830,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.56    -15.42   -2.86  CH4
+  CH4(g)          -14.15    -17.01   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.20    -12.35   -3.15  H2
+  H2(g)            -9.60    -12.75   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.78    -67.68   -2.89  O2
-  O[18O](g)       -67.48    -70.38   -2.89  O[18O]
+  O2(g)           -63.99    -66.88   -2.89  O2
+  O[18O](g)       -66.69    -69.58   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -25861,6 +25861,12 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying reduced tolerance 1e-16 ...
+
 Using solution 1.	Solution after simulation 99.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -25946,14 +25952,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6285e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5585e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -4.996e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.1324e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.7764e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1             0             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -25971,16 +25977,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.397      Adjusted to redox equilibrium
+                                       pe  =  -2.243      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  89
+                               Iterations  = 112 (213 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -25992,25 +25998,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.625e-16
-   CH4             4.625e-16   4.633e-16   -15.335   -15.334     0.001     (0)  
+C(-4)         2.686e-17
+   CH4             2.686e-17   2.691e-17   -16.571   -16.570     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -26018,23 +26024,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.312e-13
-   H2              4.656e-13   4.664e-13   -12.332   -12.331     0.001     (0)  
+H(0)          4.572e-13
+   H2              2.286e-13   2.290e-13   -12.641   -12.640     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.720   -67.719     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.119   -70.118     0.001     (0)  
-[13C](-4)     5.127e-18
-   [13C]H4         5.127e-18   5.135e-18   -17.290   -17.289     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.102   -67.101     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.501   -69.500     0.001     (0)  
+[13C](-4)     2.978e-19
+   [13C]H4         2.978e-19   2.983e-19   -18.526   -18.525     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
@@ -26043,56 +26049,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.298e-31
-   [14C]H4         2.298e-31   2.302e-31   -30.639   -30.638     0.001     (0)  
+[14C](-4)     1.335e-32
+   [14C]H4         1.335e-32   1.337e-32   -31.875   -31.874     0.001     (0)  
 [14C](4)      2.943e-18
    H[14C]O3-       2.377e-18   2.175e-18   -17.624   -17.663    -0.039     (0)  
    [14C]O2         4.947e-19   4.955e-19   -18.306   -18.305     0.001     (0)  
    CaH[14C]O3+     5.020e-20   4.605e-20   -19.299   -19.337    -0.037     (0)  
-   H[14C]O2[18O]-   4.744e-21   4.340e-21   -20.324   -20.363    -0.039     (0)  
-   H[14C]O[18O]O-   4.744e-21   4.340e-21   -20.324   -20.363    -0.039     (0)  
    H[14C][18O]O2-   4.744e-21   4.340e-21   -20.324   -20.363    -0.039     (0)  
+   H[14C]O[18O]O-   4.744e-21   4.340e-21   -20.324   -20.363    -0.039     (0)  
+   H[14C]O2[18O]-   4.744e-21   4.340e-21   -20.324   -20.363    -0.039     (0)  
    Ca[14C]O3       2.752e-21   2.757e-21   -20.560   -20.560     0.001     (0)  
    [14C]O[18O]     2.057e-21   2.061e-21   -20.687   -20.686     0.001     (0)  
    [14C]O3-2       1.412e-21   9.891e-22   -20.850   -21.005    -0.155     (0)  
    CaH[14C]O2[18O]+   1.002e-22   9.189e-23   -21.999   -22.037    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.002e-22   9.189e-23   -21.999   -22.037    -0.037     (0)  
    CaH[14C][18O]O2+   1.002e-22   9.189e-23   -21.999   -22.037    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.002e-22   9.189e-23   -21.999   -22.037    -0.037     (0)  
    Ca[14C]O2[18O]   1.647e-23   1.650e-23   -22.783   -22.782     0.001     (0)  
-   H[14C]O[18O]2-   9.464e-24   8.659e-24   -23.024   -23.063    -0.039     (0)  
    H[14C][18O]2O-   9.464e-24   8.659e-24   -23.024   -23.063    -0.039     (0)  
    H[14C][18O]O[18O]-   9.464e-24   8.659e-24   -23.024   -23.063    -0.039     (0)  
+   H[14C]O[18O]2-   9.464e-24   8.659e-24   -23.024   -23.063    -0.039     (0)  
    [14C]O2[18O]-2   8.451e-24   5.920e-24   -23.073   -23.228    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.119   -70.118     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.120   -73.119     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.501   -69.500     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.502   -72.501     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.43    -17.29   -2.86  [13C]H4
+  [13C]H4(g)      -15.67    -18.53   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.20    -23.70   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.78    -30.64   -2.86  [14C]H4
+  [14C]H4(g)      -29.01    -31.87   -2.86  [14C]H4
   [14C]O2(g)      -16.84    -18.30   -1.47  [14C]O2
   [14C]O[18O](g)  -19.22    -21.00   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.83    -73.12   -2.29  [18O]2
+  [18O]2(g)       -70.21    -72.50   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -26106,14 +26112,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.47    -15.33   -2.86  CH4
+  CH4(g)          -13.71    -16.57   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.18    -12.33   -3.15  H2
+  H2(g)            -9.49    -12.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.83    -67.72   -2.89  O2
-  O[18O](g)       -67.53    -70.42   -2.89  O[18O]
+  O2(g)           -64.21    -67.10   -2.89  O2
+  O[18O](g)       -66.91    -69.80   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -26137,12 +26143,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 100.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -26228,14 +26228,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6439e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6269e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    8.2157e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    1.6431e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -8.1046e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -5.9952e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -26253,16 +26253,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.397      Adjusted to redox equilibrium
+                                       pe  =  -2.244      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 149 (250 overall)
+                               Iterations  =  63
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -26274,15 +26274,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         4.613e-16
-   CH4             4.613e-16   4.621e-16   -15.336   -15.335     0.001     (0)  
+C(-4)         2.776e-17
+   CH4             2.776e-17   2.781e-17   -16.557   -16.556     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -26290,9 +26290,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -26300,81 +26300,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.306e-13
-   H2              4.653e-13   4.661e-13   -12.332   -12.332     0.001     (0)  
+H(0)          4.609e-13
+   H2              2.305e-13   2.308e-13   -12.637   -12.637     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.719   -67.719     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.118   -70.118     0.001     (0)  
-[13C](-4)     5.114e-18
-   [13C]H4         5.114e-18   5.122e-18   -17.291   -17.291     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.109   -67.108     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.508   -69.507     0.001     (0)  
+[13C](-4)     3.077e-19
+   [13C]H4         3.077e-19   3.082e-19   -18.512   -18.511     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.111e-31
-   [14C]H4         2.111e-31   2.115e-31   -30.675   -30.675     0.001     (0)  
+[14C](-4)     1.270e-32
+   [14C]H4         1.270e-32   1.273e-32   -31.896   -31.895     0.001     (0)  
 [14C](4)      2.711e-18
    H[14C]O3-       2.190e-18   2.004e-18   -17.660   -17.698    -0.039     (0)  
    [14C]O2         4.557e-19   4.565e-19   -18.341   -18.341     0.001     (0)  
    CaH[14C]O3+     4.625e-20   4.243e-20   -19.335   -19.372    -0.037     (0)  
-   H[14C]O2[18O]-   4.370e-21   3.998e-21   -20.360   -20.398    -0.039     (0)  
-   H[14C]O[18O]O-   4.370e-21   3.998e-21   -20.360   -20.398    -0.039     (0)  
    H[14C][18O]O2-   4.370e-21   3.998e-21   -20.360   -20.398    -0.039     (0)  
+   H[14C]O[18O]O-   4.370e-21   3.998e-21   -20.360   -20.398    -0.039     (0)  
+   H[14C]O2[18O]-   4.370e-21   3.998e-21   -20.360   -20.398    -0.039     (0)  
    Ca[14C]O3       2.535e-21   2.540e-21   -20.596   -20.595     0.001     (0)  
    [14C]O[18O]     1.895e-21   1.898e-21   -20.722   -20.722     0.001     (0)  
    [14C]O3-2       1.301e-21   9.112e-22   -20.886   -21.040    -0.155     (0)  
    CaH[14C]O2[18O]+   9.228e-23   8.465e-23   -22.035   -22.072    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.228e-23   8.465e-23   -22.035   -22.072    -0.037     (0)  
    CaH[14C][18O]O2+   9.228e-23   8.465e-23   -22.035   -22.072    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.228e-23   8.465e-23   -22.035   -22.072    -0.037     (0)  
    Ca[14C]O2[18O]   1.518e-23   1.520e-23   -22.819   -22.818     0.001     (0)  
+   H[14C][18O]O[18O]-   8.719e-24   7.977e-24   -23.060   -23.098    -0.039     (0)  
    H[14C]O[18O]2-   8.719e-24   7.977e-24   -23.060   -23.098    -0.039     (0)  
    H[14C][18O]2O-   8.719e-24   7.977e-24   -23.060   -23.098    -0.039     (0)  
-   H[14C][18O]O[18O]-   8.719e-24   7.977e-24   -23.060   -23.098    -0.039     (0)  
    [14C]O2[18O]-2   7.785e-24   5.454e-24   -23.109   -23.263    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.118   -70.118     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.119   -73.119     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.508   -69.507     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.509   -72.508     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.43    -17.29   -2.86  [13C]H4
+  [13C]H4(g)      -15.65    -18.51   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.24    -23.74   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.81    -30.67   -2.86  [14C]H4
+  [14C]H4(g)      -29.04    -31.90   -2.86  [14C]H4
   [14C]O2(g)      -16.87    -18.34   -1.47  [14C]O2
   [14C]O[18O](g)  -19.25    -21.04   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.83    -73.12   -2.29  [18O]2
+  [18O]2(g)       -70.22    -72.51   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -26388,14 +26388,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.48    -15.34   -2.86  CH4
+  CH4(g)          -13.70    -16.56   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.18    -12.33   -3.15  H2
+  H2(g)            -9.49    -12.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.83    -67.72   -2.89  O2
-  O[18O](g)       -67.53    -70.42   -2.89  O[18O]
+  O2(g)           -64.22    -67.11   -2.89  O2
+  O[18O](g)       -66.92    -69.81   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -26510,14 +26510,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.4385e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6328e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6813e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    -5.218e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -2.9976e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2212e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     4.885e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -26535,16 +26535,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.411      Adjusted to redox equilibrium
+                                       pe  =  -2.273      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  96 (197 overall)
+                               Iterations  = 115 (216 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -26556,25 +26556,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         5.956e-16
-   CH4             5.956e-16   5.966e-16   -15.225   -15.224     0.001     (0)  
+C(-4)         4.735e-17
+   CH4             4.735e-17   4.743e-17   -16.325   -16.324     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -26582,50 +26582,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.920e-13
-   H2              4.960e-13   4.968e-13   -12.305   -12.304     0.001     (0)  
+H(0)          5.267e-13
+   H2              2.634e-13   2.638e-13   -12.579   -12.579     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.775   -67.774     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.174   -70.173     0.001     (0)  
-[13C](-4)     6.602e-18
-   [13C]H4         6.602e-18   6.613e-18   -17.180   -17.180     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.225   -67.224     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.624   -69.623     0.001     (0)  
+[13C](-4)     5.248e-19
+   [13C]H4         5.248e-19   5.257e-19   -18.280   -18.279     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     2.511e-31
-   [14C]H4         2.511e-31   2.515e-31   -30.600   -30.599     0.001     (0)  
+[14C](-4)     1.996e-32
+   [14C]H4         1.996e-32   2.000e-32   -31.700   -31.699     0.001     (0)  
 [14C](4)      2.498e-18
    H[14C]O3-       2.018e-18   1.846e-18   -17.695   -17.734    -0.039     (0)  
    [14C]O2         4.198e-19   4.205e-19   -18.377   -18.376     0.001     (0)  
    CaH[14C]O3+     4.261e-20   3.908e-20   -19.371   -19.408    -0.037     (0)  
-   H[14C]O2[18O]-   4.026e-21   3.683e-21   -20.395   -20.434    -0.039     (0)  
-   H[14C]O[18O]O-   4.026e-21   3.683e-21   -20.395   -20.434    -0.039     (0)  
    H[14C][18O]O2-   4.026e-21   3.683e-21   -20.395   -20.434    -0.039     (0)  
+   H[14C]O[18O]O-   4.026e-21   3.683e-21   -20.395   -20.434    -0.039     (0)  
+   H[14C]O2[18O]-   4.026e-21   3.683e-21   -20.395   -20.434    -0.039     (0)  
    Ca[14C]O3       2.336e-21   2.340e-21   -20.632   -20.631     0.001     (0)  
    [14C]O[18O]     1.746e-21   1.749e-21   -20.758   -20.757     0.001     (0)  
    [14C]O3-2       1.198e-21   8.394e-22   -20.921   -21.076    -0.155     (0)  
    CaH[14C]O2[18O]+   8.501e-23   7.798e-23   -22.071   -22.108    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.501e-23   7.798e-23   -22.071   -22.108    -0.037     (0)  
    CaH[14C][18O]O2+   8.501e-23   7.798e-23   -22.071   -22.108    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.501e-23   7.798e-23   -22.071   -22.108    -0.037     (0)  
    Ca[14C]O2[18O]   1.398e-23   1.400e-23   -22.854   -22.854     0.001     (0)  
    H[14C]O[18O]2-   8.032e-24   7.348e-24   -23.095   -23.134    -0.039     (0)  
    H[14C][18O]2O-   8.032e-24   7.348e-24   -23.095   -23.134    -0.039     (0)  
@@ -26634,29 +26634,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.174   -70.173     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.175   -73.174     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.624   -69.623     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.625   -72.624     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.32    -17.18   -2.86  [13C]H4
+  [13C]H4(g)      -15.42    -18.28   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.27    -23.78   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.74    -30.60   -2.86  [14C]H4
+  [14C]H4(g)      -28.84    -31.70   -2.86  [14C]H4
   [14C]O2(g)      -16.91    -18.38   -1.47  [14C]O2
   [14C]O[18O](g)  -19.29    -21.08   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.88    -73.17   -2.29  [18O]2
+  [18O]2(g)       -70.33    -72.62   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -26670,14 +26670,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.36    -15.22   -2.86  CH4
+  CH4(g)          -13.46    -16.32   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.15    -12.30   -3.15  H2
+  H2(g)            -9.43    -12.58   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.88    -67.77   -2.89  O2
-  O[18O](g)       -67.58    -70.47   -2.89  O[18O]
+  O2(g)           -64.33    -67.22   -2.89  O2
+  O[18O](g)       -67.03    -69.92   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -26792,14 +26792,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7261e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.635e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -9.4369e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    3.1086e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    4.4409e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.0436e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -26817,16 +26817,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.436      Adjusted to redox equilibrium
+                                       pe  =  -2.309      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 160 (261 overall)
+                               Iterations  =  75 (176 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -26838,14 +26838,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         9.393e-16
-   CH4             9.393e-16   9.409e-16   -15.027   -15.026     0.001     (0)  
+C(-4)         9.146e-17
+   CH4             9.146e-17   9.161e-17   -16.039   -16.038     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -26854,9 +26854,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -26864,23 +26864,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.112e-12
-   H2              5.558e-13   5.567e-13   -12.255   -12.254     0.001     (0)  
+H(0)          6.210e-13
+   H2              3.105e-13   3.110e-13   -12.508   -12.507     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.874   -67.873     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.273   -70.272     0.001     (0)  
-[13C](-4)     1.041e-17
-   [13C]H4         1.041e-17   1.043e-17   -16.982   -16.982     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.368   -67.367     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.767   -69.766     0.001     (0)  
+[13C](-4)     1.014e-18
+   [13C]H4         1.014e-18   1.015e-18   -17.994   -17.993     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
@@ -26889,56 +26889,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.648e-31
-   [14C]H4         3.648e-31   3.654e-31   -30.438   -30.437     0.001     (0)  
+[14C](-4)     3.552e-32
+   [14C]H4         3.552e-32   3.558e-32   -31.449   -31.449     0.001     (0)  
 [14C](4)      2.301e-18
    H[14C]O3-       1.859e-18   1.701e-18   -17.731   -17.769    -0.039     (0)  
    [14C]O2         3.868e-19   3.874e-19   -18.413   -18.412     0.001     (0)  
    CaH[14C]O3+     3.925e-20   3.601e-20   -19.406   -19.444    -0.037     (0)  
-   H[14C]O2[18O]-   3.709e-21   3.393e-21   -20.431   -20.469    -0.039     (0)  
-   H[14C]O[18O]O-   3.709e-21   3.393e-21   -20.431   -20.469    -0.039     (0)  
    H[14C][18O]O2-   3.709e-21   3.393e-21   -20.431   -20.469    -0.039     (0)  
+   H[14C]O[18O]O-   3.709e-21   3.393e-21   -20.431   -20.469    -0.039     (0)  
+   H[14C]O2[18O]-   3.709e-21   3.393e-21   -20.431   -20.469    -0.039     (0)  
    Ca[14C]O3       2.152e-21   2.155e-21   -20.667   -20.666     0.001     (0)  
    [14C]O[18O]     1.608e-21   1.611e-21   -20.794   -20.793     0.001     (0)  
    [14C]O3-2       1.104e-21   7.733e-22   -20.957   -21.112    -0.155     (0)  
    CaH[14C]O2[18O]+   7.831e-23   7.184e-23   -22.106   -22.144    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.831e-23   7.184e-23   -22.106   -22.144    -0.037     (0)  
    CaH[14C][18O]O2+   7.831e-23   7.184e-23   -22.106   -22.144    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.831e-23   7.184e-23   -22.106   -22.144    -0.037     (0)  
    Ca[14C]O2[18O]   1.288e-23   1.290e-23   -22.890   -22.889     0.001     (0)  
-   H[14C]O[18O]2-   7.399e-24   6.769e-24   -23.131   -23.169    -0.039     (0)  
    H[14C][18O]2O-   7.399e-24   6.769e-24   -23.131   -23.169    -0.039     (0)  
    H[14C][18O]O[18O]-   7.399e-24   6.769e-24   -23.131   -23.169    -0.039     (0)  
+   H[14C]O[18O]2-   7.399e-24   6.769e-24   -23.131   -23.169    -0.039     (0)  
    [14C]O2[18O]-2   6.607e-24   4.628e-24   -23.180   -23.335    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.273   -70.272     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.274   -73.273     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.767   -69.766     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.768   -72.767     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.12    -16.98   -2.86  [13C]H4
+  [13C]H4(g)      -15.13    -17.99   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.31    -23.81   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.58    -30.44   -2.86  [14C]H4
+  [14C]H4(g)      -28.59    -31.45   -2.86  [14C]H4
   [14C]O2(g)      -16.94    -18.41   -1.47  [14C]O2
   [14C]O[18O](g)  -19.32    -21.11   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.98    -73.27   -2.29  [18O]2
+  [18O]2(g)       -70.48    -72.77   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -26952,14 +26952,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.17    -15.03   -2.86  CH4
+  CH4(g)          -13.18    -16.04   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.10    -12.25   -3.15  H2
+  H2(g)            -9.36    -12.51   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.98    -67.87   -2.89  O2
-  O[18O](g)       -67.68    -70.57   -2.89  O[18O]
+  O2(g)           -64.47    -67.37   -2.89  O2
+  O[18O](g)       -67.17    -70.07   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -27074,14 +27074,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.9944e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6498e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5581e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    3.9968e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.0103e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    7.1054e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     1.954e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -27099,16 +27099,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.443      Adjusted to redox equilibrium
+                                       pe  =  -2.318      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 115 (216 overall)
+                               Iterations  = 125 (226 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -27120,25 +27120,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.078e-15
-   CH4             1.078e-15   1.079e-15   -14.968   -14.967     0.001     (0)  
+C(-4)         1.086e-16
+   CH4             1.086e-16   1.088e-16   -15.964   -15.964     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -27146,81 +27146,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.150e-12
-   H2              5.752e-13   5.762e-13   -12.240   -12.239     0.001     (0)  
+H(0)          6.482e-13
+   H2              3.241e-13   3.246e-13   -12.489   -12.489     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.904   -67.903     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.303   -70.302     0.001     (0)  
-[13C](-4)     1.194e-17
-   [13C]H4         1.194e-17   1.196e-17   -16.923   -16.922     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.405   -67.405     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.804   -69.804     0.001     (0)  
+[13C](-4)     1.204e-18
+   [13C]H4         1.204e-18   1.206e-18   -17.920   -17.919     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.856e-31
-   [14C]H4         3.856e-31   3.862e-31   -30.414   -30.413     0.001     (0)  
+[14C](-4)     3.885e-32
+   [14C]H4         3.885e-32   3.891e-32   -31.411   -31.410     0.001     (0)  
 [14C](4)      2.120e-18
    H[14C]O3-       1.712e-18   1.567e-18   -17.766   -17.805    -0.039     (0)  
    [14C]O2         3.563e-19   3.569e-19   -18.448   -18.447     0.001     (0)  
    CaH[14C]O3+     3.616e-20   3.317e-20   -19.442   -19.479    -0.037     (0)  
-   H[14C]O2[18O]-   3.416e-21   3.126e-21   -20.466   -20.505    -0.039     (0)  
-   H[14C]O[18O]O-   3.416e-21   3.126e-21   -20.466   -20.505    -0.039     (0)  
    H[14C][18O]O2-   3.416e-21   3.126e-21   -20.466   -20.505    -0.039     (0)  
+   H[14C]O[18O]O-   3.416e-21   3.126e-21   -20.466   -20.505    -0.039     (0)  
+   H[14C]O2[18O]-   3.416e-21   3.126e-21   -20.466   -20.505    -0.039     (0)  
    Ca[14C]O3       1.982e-21   1.985e-21   -20.703   -20.702     0.001     (0)  
    [14C]O[18O]     1.482e-21   1.484e-21   -20.829   -20.829     0.001     (0)  
    [14C]O3-2       1.017e-21   7.124e-22   -20.993   -21.147    -0.155     (0)  
    CaH[14C]O2[18O]+   7.214e-23   6.618e-23   -22.142   -22.179    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.214e-23   6.618e-23   -22.142   -22.179    -0.037     (0)  
    CaH[14C][18O]O2+   7.214e-23   6.618e-23   -22.142   -22.179    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.214e-23   6.618e-23   -22.142   -22.179    -0.037     (0)  
    Ca[14C]O2[18O]   1.186e-23   1.188e-23   -22.926   -22.925     0.001     (0)  
+   H[14C][18O]O[18O]-   6.816e-24   6.236e-24   -23.166   -23.205    -0.039     (0)  
    H[14C]O[18O]2-   6.816e-24   6.236e-24   -23.166   -23.205    -0.039     (0)  
    H[14C][18O]2O-   6.816e-24   6.236e-24   -23.166   -23.205    -0.039     (0)  
-   H[14C][18O]O[18O]-   6.816e-24   6.236e-24   -23.166   -23.205    -0.039     (0)  
    [14C]O2[18O]-2   6.086e-24   4.264e-24   -23.216   -23.370    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.303   -70.302     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.304   -73.303     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.804   -69.804     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.805   -72.805     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.06    -16.92   -2.86  [13C]H4
+  [13C]H4(g)      -15.06    -17.92   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.34    -23.85   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.55    -30.41   -2.86  [14C]H4
+  [14C]H4(g)      -28.55    -31.41   -2.86  [14C]H4
   [14C]O2(g)      -16.98    -18.45   -1.47  [14C]O2
   [14C]O[18O](g)  -19.36    -21.15   -1.79  [14C]O[18O]
-  [18O]2(g)       -71.01    -73.30   -2.29  [18O]2
+  [18O]2(g)       -70.51    -72.80   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -27234,14 +27234,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.11    -14.97   -2.86  CH4
+  CH4(g)          -13.10    -15.96   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.09    -12.24   -3.15  H2
+  H2(g)            -9.34    -12.49   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -65.01    -67.90   -2.89  O2
-  O[18O](g)       -67.71    -70.60   -2.89  O[18O]
+  O2(g)           -64.51    -67.40   -2.89  O2
+  O[18O](g)       -67.21    -70.10   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -27356,14 +27356,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.8842e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6696e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5767e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1   -1.5321e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.4988e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -7.2164e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1   -2.9976e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -27381,16 +27381,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.438      Adjusted to redox equilibrium
+                                       pe  =  -2.310      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 110 (211 overall)
+                               Iterations  = 112 (213 overall)
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -27402,15 +27402,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         9.892e-16
-   CH4             9.892e-16   9.908e-16   -15.005   -15.004     0.001     (0)  
+C(-4)         9.291e-17
+   CH4             9.291e-17   9.307e-17   -16.032   -16.031     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -27418,9 +27418,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -27428,50 +27428,50 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.126e-12
-   H2              5.631e-13   5.640e-13   -12.249   -12.249     0.001     (0)  
+H(0)          6.234e-13
+   H2              3.117e-13   3.122e-13   -12.506   -12.506     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.885   -67.884     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.284   -70.283     0.001     (0)  
-[13C](-4)     1.096e-17
-   [13C]H4         1.096e-17   1.098e-17   -16.960   -16.959     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.371   -67.371     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.770   -69.770     0.001     (0)  
+[13C](-4)     1.030e-18
+   [13C]H4         1.030e-18   1.032e-18   -17.987   -17.986     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
+   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
-   CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.261e-31
-   [14C]H4         3.261e-31   3.266e-31   -30.487   -30.486     0.001     (0)  
+[14C](-4)     3.063e-32
+   [14C]H4         3.063e-32   3.068e-32   -31.514   -31.513     0.001     (0)  
 [14C](4)      1.953e-18
    H[14C]O3-       1.577e-18   1.443e-18   -17.802   -17.841    -0.039     (0)  
    [14C]O2         3.282e-19   3.288e-19   -18.484   -18.483     0.001     (0)  
    CaH[14C]O3+     3.331e-20   3.056e-20   -19.477   -19.515    -0.037     (0)  
-   H[14C]O2[18O]-   3.147e-21   2.879e-21   -20.502   -20.541    -0.039     (0)  
-   H[14C]O[18O]O-   3.147e-21   2.879e-21   -20.502   -20.541    -0.039     (0)  
    H[14C][18O]O2-   3.147e-21   2.879e-21   -20.502   -20.541    -0.039     (0)  
+   H[14C]O[18O]O-   3.147e-21   2.879e-21   -20.502   -20.541    -0.039     (0)  
+   H[14C]O2[18O]-   3.147e-21   2.879e-21   -20.502   -20.541    -0.039     (0)  
    Ca[14C]O3       1.826e-21   1.829e-21   -20.738   -20.738     0.001     (0)  
    [14C]O[18O]     1.365e-21   1.367e-21   -20.865   -20.864     0.001     (0)  
    [14C]O3-2       9.368e-22   6.562e-22   -21.028   -21.183    -0.155     (0)  
    CaH[14C]O2[18O]+   6.646e-23   6.097e-23   -22.177   -22.215    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.646e-23   6.097e-23   -22.177   -22.215    -0.037     (0)  
    CaH[14C][18O]O2+   6.646e-23   6.097e-23   -22.177   -22.215    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.646e-23   6.097e-23   -22.177   -22.215    -0.037     (0)  
    Ca[14C]O2[18O]   1.093e-23   1.095e-23   -22.961   -22.961     0.001     (0)  
    H[14C]O[18O]2-   6.280e-24   5.745e-24   -23.202   -23.241    -0.039     (0)  
    H[14C][18O]2O-   6.280e-24   5.745e-24   -23.202   -23.241    -0.039     (0)  
@@ -27480,29 +27480,29 @@ O(0)          0.000e+00
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.284   -70.283     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.285   -73.284     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.770   -69.770     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.771   -72.771     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.10    -16.96   -2.86  [13C]H4
+  [13C]H4(g)      -15.13    -17.99   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.38    -23.88   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.63    -30.49   -2.86  [14C]H4
+  [14C]H4(g)      -28.65    -31.51   -2.86  [14C]H4
   [14C]O2(g)      -17.01    -18.48   -1.47  [14C]O2
   [14C]O[18O](g)  -19.40    -21.18   -1.79  [14C]O[18O]
-  [18O]2(g)       -70.99    -73.28   -2.29  [18O]2
+  [18O]2(g)       -70.48    -72.77   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -27516,14 +27516,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.14    -15.00   -2.86  CH4
+  CH4(g)          -13.17    -16.03   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.10    -12.25   -3.15  H2
+  H2(g)            -9.36    -12.51   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -64.99    -67.88   -2.89  O2
-  O[18O](g)       -67.69    -70.58   -2.89  O[18O]
+  O2(g)           -64.48    -67.37   -2.89  O2
+  O[18O](g)       -67.18    -70.07   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -27547,12 +27547,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 105.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -27638,14 +27632,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.8842e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6515e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7619e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    4.2188e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -1.2212e-11             0
+Alpha 13C CH4(aq)/CO2(aq)                         1     9.992e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1     1.843e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -27663,16 +27657,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.448      Adjusted to redox equilibrium
+                                       pe  =  -2.327      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 111 (212 overall)
+                               Iterations  =  51
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -27684,25 +27678,25 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.179e-15
-   CH4             1.179e-15   1.181e-15   -14.929   -14.928     0.001     (0)  
+C(-4)         1.279e-16
+   CH4             1.279e-16   1.281e-16   -15.893   -15.892     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -27710,23 +27704,23 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.177e-12
-   H2              5.883e-13   5.892e-13   -12.230   -12.230     0.001     (0)  
+H(0)          6.753e-13
+   H2              3.376e-13   3.382e-13   -12.472   -12.471     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.923   -67.922     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.322   -70.321     0.001     (0)  
-[13C](-4)     1.307e-17
-   [13C]H4         1.307e-17   1.309e-17   -16.884   -16.883     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.441   -67.440     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.840   -69.839     0.001     (0)  
+[13C](-4)     1.418e-18
+   [13C]H4         1.418e-18   1.420e-18   -17.848   -17.848     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
-   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
@@ -27735,56 +27729,56 @@ O(0)          0.000e+00
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.579e-31
-   [14C]H4         3.579e-31   3.585e-31   -30.446   -30.446     0.001     (0)  
+[14C](-4)     3.884e-32
+   [14C]H4         3.884e-32   3.891e-32   -31.411   -31.410     0.001     (0)  
 [14C](4)      1.799e-18
    H[14C]O3-       1.453e-18   1.329e-18   -17.838   -17.876    -0.039     (0)  
    [14C]O2         3.024e-19   3.029e-19   -18.519   -18.519     0.001     (0)  
    CaH[14C]O3+     3.069e-20   2.815e-20   -19.513   -19.551    -0.037     (0)  
-   H[14C]O2[18O]-   2.899e-21   2.653e-21   -20.538   -20.576    -0.039     (0)  
-   H[14C]O[18O]O-   2.899e-21   2.653e-21   -20.538   -20.576    -0.039     (0)  
    H[14C][18O]O2-   2.899e-21   2.653e-21   -20.538   -20.576    -0.039     (0)  
+   H[14C]O[18O]O-   2.899e-21   2.653e-21   -20.538   -20.576    -0.039     (0)  
+   H[14C]O2[18O]-   2.899e-21   2.653e-21   -20.538   -20.576    -0.039     (0)  
    Ca[14C]O3       1.682e-21   1.685e-21   -20.774   -20.773     0.001     (0)  
    [14C]O[18O]     1.257e-21   1.259e-21   -20.901   -20.900     0.001     (0)  
    [14C]O3-2       8.630e-22   6.045e-22   -21.064   -21.219    -0.155     (0)  
    CaH[14C]O2[18O]+   6.123e-23   5.616e-23   -22.213   -22.251    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.123e-23   5.616e-23   -22.213   -22.251    -0.037     (0)  
    CaH[14C][18O]O2+   6.123e-23   5.616e-23   -22.213   -22.251    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.123e-23   5.616e-23   -22.213   -22.251    -0.037     (0)  
    Ca[14C]O2[18O]   1.007e-23   1.009e-23   -22.997   -22.996     0.001     (0)  
-   H[14C]O[18O]2-   5.785e-24   5.292e-24   -23.238   -23.276    -0.039     (0)  
    H[14C][18O]2O-   5.785e-24   5.292e-24   -23.238   -23.276    -0.039     (0)  
    H[14C][18O]O[18O]-   5.785e-24   5.292e-24   -23.238   -23.276    -0.039     (0)  
+   H[14C]O[18O]2-   5.785e-24   5.292e-24   -23.238   -23.276    -0.039     (0)  
    [14C]O2[18O]-2   5.165e-24   3.619e-24   -23.287   -23.441    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.322   -70.321     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.323   -73.322     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.840   -69.839     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.841   -72.840     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -14.02    -16.88   -2.86  [13C]H4
+  [13C]H4(g)      -14.99    -17.85   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.42    -23.92   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.59    -30.45   -2.86  [14C]H4
+  [14C]H4(g)      -28.55    -31.41   -2.86  [14C]H4
   [14C]O2(g)      -17.05    -18.52   -1.47  [14C]O2
   [14C]O[18O](g)  -19.43    -21.22   -1.79  [14C]O[18O]
-  [18O]2(g)       -71.03    -73.32   -2.29  [18O]2
+  [18O]2(g)       -70.55    -72.84   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -27798,14 +27792,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.07    -14.93   -2.86  CH4
+  CH4(g)          -13.03    -15.89   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.08    -12.23   -3.15  H2
+  H2(g)            -9.32    -12.47   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -65.03    -67.92   -2.89  O2
-  O[18O](g)       -67.73    -70.62   -2.89  O[18O]
+  O2(g)           -64.55    -67.44   -2.89  O2
+  O[18O](g)       -67.25    -70.14   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -27829,12 +27823,6 @@ Beginning of batch-reaction calculations.
 
 Reaction step 1.
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
 Using solution 1.	Solution after simulation 106.
 Using solid solution assemblage 1.	With [14C]
 Using reaction 1.	
@@ -27920,14 +27908,14 @@ Calcite                                     5.00e-04
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7256e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7341e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
-Alpha 14C CH4(aq)/CO2(aq)                         1    7.3275e-12             0
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.0214e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    8.2157e-12             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -27945,16 +27933,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  -2.455      Adjusted to redox equilibrium
+                                       pe  =  -2.337      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.431e-13
+                  Electrical balance (eq)  =   5.891e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  = 103 (204 overall)
+                               Iterations  =  52
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -27966,15 +27954,15 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.355e-15
-   CH4             1.355e-15   1.357e-15   -14.868   -14.867     0.001     (0)  
+C(-4)         1.521e-16
+   CH4             1.521e-16   1.524e-16   -15.818   -15.817     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -27982,9 +27970,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -27992,81 +27980,81 @@ Ca            2.451e-03
    CaCO3           5.460e-06   5.469e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.218e-12
-   H2              6.091e-13   6.101e-13   -12.215   -12.215     0.001     (0)  
+H(0)          7.052e-13
+   H2              3.526e-13   3.532e-13   -12.453   -12.452     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -67.953   -67.953     0.001     (0)  
-   O[18O]          0.000e+00   0.000e+00   -70.352   -70.352     0.001     (0)  
-[13C](-4)     1.502e-17
-   [13C]H4         1.502e-17   1.504e-17   -16.823   -16.823     0.001     (0)  
+   O2              0.000e+00   0.000e+00   -67.478   -67.478     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.877   -69.877     0.001     (0)  
+[13C](-4)     1.686e-18
+   [13C]H4         1.686e-18   1.689e-18   -17.773   -17.772     0.001     (0)  
 [13C](4)      6.520e-05
    H[13C]O3-       5.259e-05   4.811e-05    -4.279    -4.318    -0.039     (0)  
    [13C]O2         1.104e-05   1.106e-05    -4.957    -4.956     0.001     (0)  
    CaH[13C]O3+     1.111e-06   1.019e-06    -5.954    -5.992    -0.037     (0)  
    H[13C]O2[18O]-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.049e-07   9.599e-08    -6.979    -7.018    -0.039     (0)  
    Ca[13C]O3       6.097e-08   6.107e-08    -7.215    -7.214     0.001     (0)  
    [13C]O[18O]     4.590e-08   4.598e-08    -7.338    -7.337     0.001     (0)  
    [13C]O3-2       3.127e-08   2.191e-08    -7.505    -7.659    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C]O[18O]O+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    CaH[13C][18O]O2+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.216e-09   2.033e-09    -8.654    -8.692    -0.037     (0)  
    Ca[13C]O2[18O]   3.649e-10   3.655e-10    -9.438    -9.437     0.001     (0)  
-   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.094e-10   1.915e-10    -9.679    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.872e-10   1.311e-10    -9.728    -9.882    -0.155     (0)  
-[14C](-4)     3.790e-31
-   [14C]H4         3.790e-31   3.796e-31   -30.421   -30.421     0.001     (0)  
+[14C](-4)     4.256e-32
+   [14C]H4         4.256e-32   4.263e-32   -31.371   -31.370     0.001     (0)  
 [14C](4)      1.657e-18
    H[14C]O3-       1.339e-18   1.225e-18   -17.873   -17.912    -0.039     (0)  
    [14C]O2         2.786e-19   2.790e-19   -18.555   -18.554     0.001     (0)  
    CaH[14C]O3+     2.827e-20   2.593e-20   -19.549   -19.586    -0.037     (0)  
-   H[14C]O2[18O]-   2.671e-21   2.444e-21   -20.573   -20.612    -0.039     (0)  
-   H[14C]O[18O]O-   2.671e-21   2.444e-21   -20.573   -20.612    -0.039     (0)  
    H[14C][18O]O2-   2.671e-21   2.444e-21   -20.573   -20.612    -0.039     (0)  
+   H[14C]O[18O]O-   2.671e-21   2.444e-21   -20.573   -20.612    -0.039     (0)  
+   H[14C]O2[18O]-   2.671e-21   2.444e-21   -20.573   -20.612    -0.039     (0)  
    Ca[14C]O3       1.550e-21   1.552e-21   -20.810   -20.809     0.001     (0)  
    [14C]O[18O]     1.158e-21   1.160e-21   -20.936   -20.935     0.001     (0)  
    [14C]O3-2       7.950e-22   5.569e-22   -21.100   -21.254    -0.155     (0)  
    CaH[14C]O2[18O]+   5.640e-23   5.174e-23   -22.249   -22.286    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.640e-23   5.174e-23   -22.249   -22.286    -0.037     (0)  
    CaH[14C][18O]O2+   5.640e-23   5.174e-23   -22.249   -22.286    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.640e-23   5.174e-23   -22.249   -22.286    -0.037     (0)  
    Ca[14C]O2[18O]   9.276e-24   9.291e-24   -23.033   -23.032     0.001     (0)  
+   H[14C][18O]O[18O]-   5.329e-24   4.876e-24   -23.273   -23.312    -0.039     (0)  
    H[14C]O[18O]2-   5.329e-24   4.876e-24   -23.273   -23.312    -0.039     (0)  
    H[14C][18O]2O-   5.329e-24   4.876e-24   -23.273   -23.312    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.329e-24   4.876e-24   -23.273   -23.312    -0.039     (0)  
    [14C]O2[18O]-2   4.758e-24   3.334e-24   -23.323   -23.477    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.585e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -70.352   -70.352     0.001     (0)  
-   [18O]2          0.000e+00   0.000e+00   -73.353   -73.353     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -69.877   -69.877     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -72.879   -72.878     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)      -13.96    -16.82   -2.86  [13C]H4
+  [13C]H4(g)      -14.91    -17.77   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -22.45    -23.95   -1.50  [14C][18O]2
-  [14C]H4(g)      -27.56    -30.42   -2.86  [14C]H4
+  [14C]H4(g)      -28.51    -31.37   -2.86  [14C]H4
   [14C]O2(g)      -17.09    -18.55   -1.47  [14C]O2
   [14C]O[18O](g)  -19.47    -21.25   -1.79  [14C]O[18O]
-  [18O]2(g)       -71.06    -73.35   -2.29  [18O]2
+  [18O]2(g)       -70.59    -72.88   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -28080,14 +28068,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)          -12.01    -14.87   -2.86  CH4
+  CH4(g)          -12.96    -15.82   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)            -9.06    -12.21   -3.15  H2
+  H2(g)            -9.30    -12.45   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -65.06    -67.95   -2.89  O2
-  O[18O](g)       -67.76    -70.65   -2.89  O[18O]
+  O2(g)           -64.59    -67.48   -2.89  O2
+  O[18O](g)       -67.29    -70.18   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -28353,14 +28341,14 @@ Calcite                                     0.00e+00
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    3.6713e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.3067e-10             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1    1.3323e-12             0
-Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -3.3307e-12             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    6.8834e-12             0
 
 -----------------------------Solution composition------------------------------
 
@@ -28375,14 +28363,14 @@ Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
 ----------------------------Description of solution----------------------------
 
                                        pH  =   5.863      Charge balance
-                                       pe  =   0.247      Adjusted to redox equilibrium
+                                       pe  =   0.219      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   1.495e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   1.003e-03
                        Total CO2 (mol/kg)  =   3.912e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.367e-14
+                  Electrical balance (eq)  =   3.883e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  18
                                   Total H  = 1.110126e+02
@@ -28396,44 +28384,44 @@ Alpha 14C CH4(aq)/CO2(aq)                         1   -7.7716e-13             0
    H3O+            1.426e-06   1.369e-06    -5.846    -5.863    -0.018      0.00
    OH-             7.606e-09   7.282e-09    -8.119    -8.138    -0.019     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         9.506e-28
-   CH4             9.506e-28   9.510e-28   -27.022   -27.022     0.000     (0)  
+C(-4)         1.584e-27
+   CH4             1.584e-27   1.584e-27   -26.800   -26.800     0.000     (0)  
 C(4)          3.912e-03
    CO2             2.907e-03   2.908e-03    -2.537    -2.536     0.000     (0)  
    HCO3-           9.821e-04   9.406e-04    -3.008    -3.027    -0.019     (0)  
    CO[18O]         1.209e-05   1.209e-05    -4.918    -4.918     0.000     (0)  
    CaHCO3+         5.241e-06   5.023e-06    -5.281    -5.299    -0.018     (0)  
-   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
-   HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HC[18O]O2-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    CO3-2           3.822e-08   3.216e-08    -7.418    -7.493    -0.075     (0)  
    CaCO3           2.260e-08   2.261e-08    -7.646    -7.646     0.000     (0)  
    C[18O]2         1.257e-08   1.257e-08    -7.901    -7.901     0.000     (0)  
    CaHCO2[18O]+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
    CaHC[18O]O2+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
+   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
 Ca            5.014e-04
    Ca+2            4.961e-04   4.184e-04    -3.304    -3.378    -0.074     (0)  
    CaHCO3+         5.241e-06   5.023e-06    -5.281    -5.299    -0.018     (0)  
    CaH[13C]O3+     5.770e-08   5.530e-08    -7.239    -7.257    -0.018     (0)  
    CaCO3           2.260e-08   2.261e-08    -7.646    -7.646     0.000     (0)  
    CaHCO2[18O]+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
    CaHC[18O]O2+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
-H(0)          8.541e-16
-   H2              4.271e-16   4.272e-16   -15.370   -15.369     0.000     (0)  
+   CaHCO[18O]O+    1.046e-08   1.002e-08    -7.981    -7.999    -0.018     (0)  
+H(0)          9.704e-16
+   H2              4.852e-16   4.854e-16   -15.314   -15.314     0.000     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -61.643   -61.643     0.000     (0)  
-   O[18O]          0.000e+00   0.000e+00   -64.042   -64.042     0.000     (0)  
-[13C](-4)     1.038e-29
-   [13C]H4         1.038e-29   1.038e-29   -28.984   -28.984     0.000     (0)  
+   O2              0.000e+00   0.000e+00   -61.754   -61.754     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -64.153   -64.153     0.000     (0)  
+[13C](-4)     1.729e-29
+   [13C]H4         1.729e-29   1.729e-29   -28.762   -28.762     0.000     (0)  
 [13C](4)      4.280e-05
    [13C]O2         3.173e-05   3.174e-05    -4.499    -4.498     0.000     (0)  
    H[13C]O3-       1.081e-05   1.036e-05    -4.966    -4.985    -0.019     (0)  
    [13C]O[18O]     1.319e-07   1.320e-07    -6.880    -6.879     0.000     (0)  
    CaH[13C]O3+     5.770e-08   5.530e-08    -7.239    -7.257    -0.018     (0)  
-   H[13C]O2[18O]-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    H[13C]O[18O]O-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
+   H[13C]O2[18O]-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    H[13C][18O]O2-   2.157e-08   2.066e-08    -7.666    -7.685    -0.019     (0)  
    [13C]O3-2       4.202e-10   3.535e-10    -9.377    -9.452    -0.075     (0)  
    Ca[13C]O3       2.484e-10   2.485e-10    -9.605    -9.605     0.000     (0)  
@@ -28441,52 +28429,52 @@ O(0)          0.000e+00
    CaH[13C]O2[18O]+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
    CaH[13C]O[18O]O+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
    CaH[13C][18O]O2+   1.151e-10   1.103e-10    -9.939    -9.957    -0.018     (0)  
-   H[13C]O[18O]2-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
    H[13C][18O]2O-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
    H[13C][18O]O[18O]-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
-[14C](-4)     9.824e-40
-   [14C]H4         9.824e-40   9.828e-40   -39.008   -39.008     0.000     (0)  
+   H[13C]O[18O]2-   4.304e-11   4.122e-11   -10.366   -10.385    -0.019     (0)  
+[14C](-4)     1.637e-39
+   [14C]H4         1.637e-39   1.638e-39   -38.786   -38.786     0.000     (0)  
 [14C](4)      4.061e-15
    [14C]O2         3.004e-15   3.005e-15   -14.522   -14.522     0.000     (0)  
    H[14C]O3-       1.033e-15   9.890e-16   -14.986   -15.005    -0.019     (0)  
    [14C]O[18O]     1.249e-17   1.250e-17   -16.903   -16.903     0.000     (0)  
    CaH[14C]O3+     5.511e-18   5.281e-18   -17.259   -17.277    -0.018     (0)  
-   H[14C]O2[18O]-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
-   H[14C]O[18O]O-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
    H[14C][18O]O2-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
+   H[14C]O[18O]O-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
+   H[14C]O2[18O]-   2.060e-18   1.973e-18   -17.686   -17.705    -0.019     (0)  
    [14C]O3-2       4.008e-20   3.372e-20   -19.397   -19.472    -0.075     (0)  
    Ca[14C]O3       2.369e-20   2.370e-20   -19.625   -19.625     0.000     (0)  
    [14C][18O]2     1.299e-20   1.299e-20   -19.887   -19.886     0.000     (0)  
    CaH[14C]O2[18O]+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
-   CaH[14C]O[18O]O+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
    CaH[14C][18O]O2+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
+   CaH[14C]O[18O]O+   1.099e-20   1.054e-20   -19.959   -19.977    -0.018     (0)  
    H[14C]O[18O]2-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
-   H[14C][18O]2O-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
    H[14C][18O]O[18O]-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
+   H[14C][18O]2O-   4.111e-21   3.937e-21   -20.386   -20.405    -0.019     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         1.209e-05   1.209e-05    -4.918    -4.918     0.000     (0)  
-   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HCO[18O]O-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
+   HCO2[18O]-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    HC[18O]O2-      1.959e-06   1.877e-06    -5.708    -5.727    -0.019     (0)  
    [13C]O[18O]     1.319e-07   1.320e-07    -6.880    -6.879     0.000     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -64.042   -64.042     0.000     (0)  
-   [18O]2          0.000e+00   0.000e+00   -67.043   -67.043     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -64.153   -64.153     0.000     (0)  
+   [18O]2          0.000e+00   0.000e+00   -67.154   -67.154     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.40     -9.90   -1.50  [13C][18O]2
-  [13C]H4(g)      -26.12    -28.98   -2.86  [13C]H4
+  [13C]H4(g)      -25.90    -28.76   -2.86  [13C]H4
   [13C]O2(g)       -3.03     -4.50   -1.47  [13C]O2
   [13C]O[18O](g)   -5.41     -7.20   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.42    -19.92   -1.50  [14C][18O]2
-  [14C]H4(g)      -36.15    -39.01   -2.86  [14C]H4
+  [14C]H4(g)      -35.93    -38.79   -2.86  [14C]H4
   [14C]O2(g)      -13.05    -14.52   -1.47  [14C]O2
   [14C]O[18O](g)  -15.44    -17.22   -1.79  [14C]O[18O]
-  [18O]2(g)       -64.75    -67.04   -2.29  [18O]2
+  [18O]2(g)       -64.86    -67.15   -2.29  [18O]2
   C[18O]2(g)       -6.43     -7.94   -1.50  C[18O]2
   Ca[13C][18O]3(s) -12.41     -4.25    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -6.56      1.15    7.71  Ca[13C]O2[18O]
@@ -28500,14 +28488,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -4.60      3.11    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -7.29      0.41    7.70  CaCO[18O]2
   Calcite          -2.39    -10.87   -8.48  CaCO3
-  CH4(g)          -24.16    -27.02   -2.86  CH4
+  CH4(g)          -23.94    -26.80   -2.86  CH4
   CO2(g)           -1.07     -2.54   -1.47  CO2
   CO[18O](g)       -3.45     -5.24   -1.79  CO[18O]
-  H2(g)           -12.22    -15.37   -3.15  H2
+  H2(g)           -12.16    -15.31   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -58.75    -61.64   -2.89  O2
-  O[18O](g)       -61.45    -64.34   -2.89  O[18O]
+  O2(g)           -58.86    -61.75   -2.89  O2
+  O[18O](g)       -61.56    -64.45   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -28599,10 +28587,10 @@ Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.9496e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.9261e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
-Alpha 13C CH4(aq)/CO2(aq)                         1             0             0
+Alpha 13C CH4(aq)/CO2(aq)                         1   -1.2212e-12             0
 Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
 
 -----------------------------Solution composition------------------------------
@@ -28618,14 +28606,14 @@ Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.235      Charge balance
-                                       pe  =   0.081      Adjusted to redox equilibrium
+                                       pe  =   0.013      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   2.970e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   2.006e-03
                        Total CO2 (mol/kg)  =   4.408e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   3.501e-14
+                  Electrical balance (eq)  =   3.897e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   5
                                   Total H  = 1.110126e+02
@@ -28639,101 +28627,101 @@ Alpha 14C CH4(aq)/CO2(aq)                         0         -1000             0
    H3O+            6.146e-07   5.816e-07    -6.211    -6.235    -0.024      0.00
    OH-             1.821e-08   1.714e-08    -7.740    -7.766    -0.026     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         1.780e-29
-   CH4             1.780e-29   1.781e-29   -28.750   -28.749     0.000     (0)  
+C(-4)         6.181e-29
+   CH4             6.181e-29   6.185e-29   -28.209   -28.209     0.000     (0)  
 C(4)          4.408e-03
    CO2             2.414e-03   2.416e-03    -2.617    -2.617     0.000     (0)  
    HCO3-           1.953e-03   1.840e-03    -2.709    -2.735    -0.026     (0)  
    CaHCO3+         1.936e-05   1.827e-05    -4.713    -4.738    -0.025     (0)  
    CO[18O]         1.004e-05   1.005e-05    -4.998    -4.998     0.000     (0)  
-   HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
+   HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HC[18O]O2-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    CaCO3           1.934e-07   1.935e-07    -6.714    -6.713     0.000     (0)  
    CO3-2           1.880e-07   1.481e-07    -6.726    -6.830    -0.104     (0)  
    CaHCO2[18O]+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
-   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    CaHC[18O]O2+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
+   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    C[18O]2         1.044e-08   1.044e-08    -7.981    -7.981     0.000     (0)  
    HCO[18O]2-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
-   HC[18O]2O-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
    HC[18O]O[18O]-   7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
+   HC[18O]2O-      7.773e-09   7.323e-09    -8.109    -8.135    -0.026     (0)  
 Ca            1.003e-03
    Ca+2            9.830e-04   7.781e-04    -3.007    -3.109    -0.102     (0)  
    CaHCO3+         1.936e-05   1.827e-05    -4.713    -4.738    -0.025     (0)  
    CaH[13C]O3+     2.134e-07   2.013e-07    -6.671    -6.696    -0.025     (0)  
    CaCO3           1.934e-07   1.935e-07    -6.714    -6.713     0.000     (0)  
    CaHCO2[18O]+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
-   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    CaHC[18O]O2+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
+   CaHCO[18O]O+    3.863e-08   3.644e-08    -7.413    -7.438    -0.025     (0)  
    Ca[13C]O3       2.128e-09   2.130e-09    -8.672    -8.672     0.000     (0)  
    CaCO2[18O]      1.158e-09   1.158e-09    -8.936    -8.936     0.000     (0)  
-H(0)          3.309e-16
-   H2              1.654e-16   1.656e-16   -15.781   -15.781     0.000     (0)  
+H(0)          4.517e-16
+   H2              2.258e-16   2.260e-16   -15.646   -15.646     0.000     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -60.820   -60.820     0.000     (0)  
-   O[18O]          0.000e+00   0.000e+00   -63.219   -63.219     0.000     (0)  
-[13C](-4)     1.945e-31
-   [13C]H4         1.945e-31   1.946e-31   -30.711   -30.711     0.000     (0)  
+   O2              0.000e+00   0.000e+00   -61.090   -61.090     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -63.489   -63.489     0.000     (0)  
+[13C](-4)     6.753e-31
+   [13C]H4         6.753e-31   6.758e-31   -30.170   -30.170     0.000     (0)  
 [13C](4)      4.835e-05
    [13C]O2         2.638e-05   2.639e-05    -4.579    -4.578     0.000     (0)  
    H[13C]O3-       2.152e-05   2.027e-05    -4.667    -4.693    -0.026     (0)  
    CaH[13C]O3+     2.134e-07   2.013e-07    -6.671    -6.696    -0.025     (0)  
    [13C]O[18O]     1.097e-07   1.098e-07    -6.960    -6.960     0.000     (0)  
    H[13C]O2[18O]-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
-   H[13C]O[18O]O-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
    H[13C][18O]O2-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
+   H[13C]O[18O]O-   4.294e-08   4.045e-08    -7.367    -7.393    -0.026     (0)  
    Ca[13C]O3       2.128e-09   2.130e-09    -8.672    -8.672     0.000     (0)  
    [13C]O3-2       2.069e-09   1.629e-09    -8.684    -8.788    -0.104     (0)  
    CaH[13C]O2[18O]+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    CaH[13C]O[18O]O+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    CaH[13C][18O]O2+   4.258e-10   4.016e-10    -9.371    -9.396    -0.025     (0)  
    [13C][18O]2     1.140e-10   1.141e-10    -9.943    -9.943     0.000     (0)  
-   H[13C]O[18O]2-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
    H[13C][18O]2O-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
    H[13C][18O]O[18O]-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
+   H[13C]O[18O]2-   8.566e-11   8.070e-11   -10.067   -10.093    -0.026     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00   -40.789   -40.788     0.000     (0)  
+   [14C]H4         0.000e+00   0.000e+00   -40.248   -40.248     0.000     (0)  
 [14C](4)      4.061e-15
    [14C]O2         2.207e-15   2.208e-15   -14.656   -14.656     0.000     (0)  
    H[14C]O3-       1.816e-15   1.711e-15   -14.741   -14.767    -0.026     (0)  
    CaH[14C]O3+     1.801e-17   1.699e-17   -16.745   -16.770    -0.025     (0)  
    [14C]O[18O]     9.176e-18   9.182e-18   -17.037   -17.037     0.000     (0)  
-   H[14C]O2[18O]-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    H[14C]O[18O]O-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
+   H[14C]O2[18O]-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    H[14C][18O]O2-   3.623e-18   3.413e-18   -17.441   -17.467    -0.026     (0)  
    Ca[14C]O3       1.794e-19   1.795e-19   -18.746   -18.746     0.000     (0)  
    [14C]O3-2       1.743e-19   1.373e-19   -18.759   -18.862    -0.104     (0)  
-   CaH[14C]O2[18O]+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    CaH[14C]O[18O]O+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
+   CaH[14C]O2[18O]+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    CaH[14C][18O]O2+   3.593e-20   3.389e-20   -19.445   -19.470    -0.025     (0)  
    [14C][18O]2     9.539e-21   9.545e-21   -20.021   -20.020     0.000     (0)  
-   H[14C]O[18O]2-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
-   H[14C][18O]2O-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
    H[14C][18O]O[18O]-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
+   H[14C][18O]2O-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
+   H[14C]O[18O]2-   7.229e-21   6.810e-21   -20.141   -20.167    -0.026     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         1.004e-05   1.005e-05    -4.998    -4.998     0.000     (0)  
    HCO2[18O]-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
-   HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
    HC[18O]O2-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
+   HCO[18O]O-      3.896e-06   3.670e-06    -5.409    -5.435    -0.026     (0)  
 [18O](0)      0.000e+00
-   O[18O]          0.000e+00   0.000e+00   -63.219   -63.219     0.000     (0)  
-   [18O]2          0.000e+00   0.000e+00   -66.220   -66.220     0.000     (0)  
+   O[18O]          0.000e+00   0.000e+00   -63.489   -63.489     0.000     (0)  
+   [18O]2          0.000e+00   0.000e+00   -66.490   -66.490     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.48     -9.98   -1.50  [13C][18O]2
-  [13C]H4(g)      -27.85    -30.71   -2.86  [13C]H4
+  [13C]H4(g)      -27.31    -30.17   -2.86  [13C]H4
   [13C]O2(g)       -3.11     -4.58   -1.47  [13C]O2
   [13C]O[18O](g)   -5.49     -7.28   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.55    -20.06   -1.50  [14C][18O]2
-  [14C]H4(g)      -37.93    -40.79   -2.86  [14C]H4
+  [14C]H4(g)      -37.39    -40.25   -2.86  [14C]H4
   [14C]O2(g)      -13.19    -14.66   -1.47  [14C]O2
   [14C]O[18O](g)  -15.57    -17.36   -1.79  [14C]O[18O]
-  [18O]2(g)       -63.93    -66.22   -2.29  [18O]2
+  [18O]2(g)       -64.20    -66.49   -2.29  [18O]2
   C[18O]2(g)       -6.51     -8.02   -1.50  C[18O]2
   Ca[13C][18O]3(s) -11.48     -3.32    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -5.63      2.08    7.71  Ca[13C]O2[18O]
@@ -28747,14 +28735,14 @@ O(0)          0.000e+00
   CaCO2[18O](s)    -3.67      4.04    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -6.36      1.34    7.70  CaCO[18O]2
   Calcite          -1.46     -9.94   -8.48  CaCO3
-  CH4(g)          -25.89    -28.75   -2.86  CH4
+  CH4(g)          -25.35    -28.21   -2.86  CH4
   CO2(g)           -1.15     -2.62   -1.47  CO2
   CO[18O](g)       -3.53     -5.32   -1.79  CO[18O]
-  H2(g)           -12.63    -15.78   -3.15  H2
+  H2(g)           -12.50    -15.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -57.93    -60.82   -2.89  O2
-  O[18O](g)       -60.63    -63.52   -2.89  O[18O]
+  O2(g)           -58.20    -61.09   -2.89  O2
+  O[18O](g)       -60.90    -63.79   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -28841,12 +28829,12 @@ Calcite                                     0.00e+00
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2373e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2795e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.9934e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8096e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 
@@ -28863,14 +28851,14 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.503      Charge balance
-                                       pe  =  11.499      Adjusted to redox equilibrium
+                                       pe  =  11.498      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   4.428e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   3.009e-03
                        Total CO2 (mol/kg)  =   4.904e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.766e-13
+                  Electrical balance (eq)  =   5.037e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  17
                                   Total H  = 1.110126e+02
@@ -28885,22 +28873,22 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
    OH-             3.415e-08   3.176e-08    -7.467    -7.498    -0.032     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.333  -122.333     0.000     (0)  
+   CH4             0.000e+00   0.000e+00  -122.330  -122.330     0.000     (0)  
 C(4)          4.904e-03
    HCO3-           2.915e-03   2.713e-03    -2.535    -2.567    -0.031     (0)  
    CO2             1.921e-03   1.923e-03    -2.716    -2.716     0.000     (0)  
    CaHCO3+         4.102e-05   3.825e-05    -4.387    -4.417    -0.030     (0)  
    CO[18O]         7.989e-06   7.997e-06    -5.097    -5.097     0.000     (0)  
    HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    HC[18O]O2-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    CaCO3           7.501e-07   7.509e-07    -6.125    -6.124     0.000     (0)  
    CO3-2           5.390e-07   4.046e-07    -6.268    -6.393    -0.125     (0)  
    CaHCO2[18O]+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHC[18O]O2+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
-   HCO[18O]2-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    HC[18O]2O-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
+   HCO[18O]2-      1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    HC[18O]O[18O]-   1.160e-08   1.080e-08    -7.935    -7.967    -0.031     (0)  
    C[18O]2         8.305e-09   8.314e-09    -8.081    -8.080     0.000     (0)  
 Ca            1.504e-03
@@ -28909,62 +28897,62 @@ Ca            1.504e-03
    CaCO3           7.501e-07   7.509e-07    -6.125    -6.124     0.000     (0)  
    CaH[13C]O3+     4.525e-07   4.219e-07    -6.344    -6.375    -0.030     (0)  
    CaHCO2[18O]+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
-   CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    CaHC[18O]O2+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
+   CaHCO[18O]O+    8.184e-08   7.632e-08    -7.087    -7.117    -0.030     (0)  
    Ca[13C]O3       8.262e-09   8.270e-09    -8.083    -8.082     0.000     (0)  
    CaCO2[18O]      4.490e-09   4.494e-09    -8.348    -8.347     0.000     (0)  
-H(0)          1.407e-39
-   H2              7.037e-40   7.044e-40   -39.153   -39.152     0.000     (0)  
-O(0)          1.679e-14
-   O2              8.360e-15   8.369e-15   -14.078   -14.077     0.000     (0)  
-   O[18O]          3.336e-17   3.339e-17   -16.477   -16.476     0.000     (0)  
+H(0)          1.410e-39
+   H2              7.048e-40   7.055e-40   -39.152   -39.152     0.000     (0)  
+O(0)          1.673e-14
+   O2              8.334e-15   8.342e-15   -14.079   -14.079     0.000     (0)  
+   O[18O]          3.326e-17   3.329e-17   -16.478   -16.478     0.000     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.294  -124.294     0.000     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.292  -124.291     0.000     (0)  
 [13C](4)      5.391e-05
    H[13C]O3-       3.215e-05   2.993e-05    -4.493    -4.524    -0.031     (0)  
    [13C]O2         2.101e-05   2.103e-05    -4.678    -4.677     0.000     (0)  
    CaH[13C]O3+     4.525e-07   4.219e-07    -6.344    -6.375    -0.030     (0)  
    [13C]O[18O]     8.736e-08   8.745e-08    -7.059    -7.058     0.000     (0)  
    H[13C]O2[18O]-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
-   H[13C]O[18O]O-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
    H[13C][18O]O2-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
+   H[13C]O[18O]O-   6.415e-08   5.971e-08    -7.193    -7.224    -0.031     (0)  
    Ca[13C]O3       8.262e-09   8.270e-09    -8.083    -8.082     0.000     (0)  
    [13C]O3-2       5.937e-09   4.456e-09    -8.226    -8.351    -0.125     (0)  
-   CaH[13C]O2[18O]+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    CaH[13C]O[18O]O+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    CaH[13C][18O]O2+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
+   CaH[13C]O2[18O]+   9.027e-10   8.418e-10    -9.044    -9.075    -0.030     (0)  
    H[13C]O[18O]2-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    H[13C][18O]2O-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    H[13C][18O]O[18O]-   1.280e-10   1.191e-10    -9.893    -9.924    -0.031     (0)  
    [13C][18O]2     9.082e-11   9.091e-11   -10.042   -10.041     0.000     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.420  -134.419     0.000     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.417  -134.416     0.000     (0)  
 [14C](4)      4.061e-15
    H[14C]O3-       2.430e-15   2.262e-15   -14.614   -14.645    -0.031     (0)  
    [14C]O2         1.574e-15   1.576e-15   -14.803   -14.802     0.000     (0)  
    CaH[14C]O3+     3.420e-17   3.189e-17   -16.466   -16.496    -0.030     (0)  
    [14C]O[18O]     6.547e-18   6.553e-18   -17.184   -17.184     0.000     (0)  
-   H[14C]O2[18O]-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    H[14C]O[18O]O-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
+   H[14C]O2[18O]-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    H[14C][18O]O2-   4.849e-18   4.513e-18   -17.314   -17.346    -0.031     (0)  
    Ca[14C]O3       6.236e-19   6.242e-19   -18.205   -18.205     0.000     (0)  
    [14C]O3-2       4.481e-19   3.364e-19   -18.349   -18.473    -0.125     (0)  
    CaH[14C]O2[18O]+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
-   CaH[14C]O[18O]O+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
    CaH[14C][18O]O2+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
+   CaH[14C]O[18O]O+   6.824e-20   6.363e-20   -19.166   -19.196    -0.030     (0)  
    H[14C]O[18O]2-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
-   H[14C][18O]2O-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
    H[14C][18O]O[18O]-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
+   H[14C][18O]2O-   9.674e-21   9.005e-21   -20.014   -20.046    -0.031     (0)  
    [14C][18O]2     6.806e-21   6.813e-21   -20.167   -20.167     0.000     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    CO[18O]         7.989e-06   7.997e-06    -5.097    -5.097     0.000     (0)  
-   HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
    HC[18O]O2-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
-[18O](0)      3.343e-17
-   O[18O]          3.336e-17   3.339e-17   -16.477   -16.476     0.000     (0)  
-   [18O]2          3.328e-20   3.331e-20   -19.478   -19.477     0.000     (0)  
+   HCO[18O]O-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+   HCO2[18O]-      5.816e-06   5.413e-06    -5.235    -5.267    -0.031     (0)  
+[18O](0)      3.332e-17
+   O[18O]          3.326e-17   3.329e-17   -16.478   -16.478     0.000     (0)  
+   [18O]2          3.318e-20   3.321e-20   -19.479   -19.479     0.000     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -28998,7 +28986,7 @@ O(0)          1.679e-14
   H2(g)           -36.00    -39.15   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.18    -14.08   -2.89  O2
+  O2(g)           -11.19    -14.08   -2.89  O2
   O[18O](g)       -13.89    -16.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -29086,12 +29074,12 @@ Calcite                                     0.00e+00
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2771e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1             0             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -2.0204e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8202e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 
@@ -29108,14 +29096,14 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.750      Charge balance
-                                       pe  =  11.241      Adjusted to redox equilibrium
+                                       pe  =  11.210      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   5.871e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.012e-03
                        Total CO2 (mol/kg)  =   5.400e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   4
                                   Total H  = 1.110126e+02
@@ -29130,22 +29118,22 @@ Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
    OH-             6.090e-08   5.607e-08    -7.215    -7.251    -0.036     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.370  -122.369     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.123  -122.122     0.001     (0)  
 C(4)          5.400e-03
    HCO3-           3.868e-03   3.565e-03    -2.413    -2.448    -0.035     (0)  
    CO2             1.430e-03   1.432e-03    -2.845    -2.844     0.001     (0)  
    CaHCO3+         6.931e-05   6.403e-05    -4.159    -4.194    -0.034     (0)  
    HCO2[18O]-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
-   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    HC[18O]O2-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
+   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    CO[18O]         5.945e-06   5.953e-06    -5.226    -5.225     0.001     (0)  
    CaCO3           2.216e-06   2.219e-06    -5.654    -5.654     0.001     (0)  
    CO3-2           1.300e-06   9.385e-07    -5.886    -6.028    -0.142     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   HCO[18O]2-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
+   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    HC[18O]2O-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
+   HCO[18O]2-      1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
    HC[18O]O[18O]-   1.540e-08   1.419e-08    -7.813    -7.848    -0.035     (0)  
    CaCO2[18O]      1.326e-08   1.328e-08    -7.877    -7.877     0.001     (0)  
    CO2[18O]-2      7.783e-09   5.618e-09    -8.109    -8.250    -0.142     (0)  
@@ -29156,30 +29144,30 @@ Ca            2.006e-03
    CaCO3           2.216e-06   2.219e-06    -5.654    -5.654     0.001     (0)  
    CaH[13C]O3+     7.650e-07   7.067e-07    -6.116    -6.151    -0.034     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
+   CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    Ca[13C]O3       2.442e-08   2.445e-08    -7.612    -7.612     0.001     (0)  
    CaCO2[18O]      1.326e-08   1.328e-08    -7.877    -7.877     0.001     (0)  
-H(0)          1.483e-39
-   H2              7.415e-40   7.425e-40   -39.130   -39.129     0.001     (0)  
-O(0)          1.510e-14
-   O2              7.521e-15   7.531e-15   -14.124   -14.123     0.001     (0)  
-   O[18O]          3.001e-17   3.005e-17   -16.523   -16.522     0.001     (0)  
+H(0)          1.710e-39
+   H2              8.549e-40   8.560e-40   -39.068   -39.068     0.001     (0)  
+O(0)          1.136e-14
+   O2              5.658e-15   5.666e-15   -14.247   -14.247     0.001     (0)  
+   O[18O]          2.258e-17   2.261e-17   -16.646   -16.646     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.331  -124.330     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.084  -124.083     0.001     (0)  
 [13C](4)      5.947e-05
    H[13C]O3-       4.269e-05   3.935e-05    -4.370    -4.405    -0.035     (0)  
    [13C]O2         1.564e-05   1.566e-05    -4.806    -4.805     0.001     (0)  
    CaH[13C]O3+     7.650e-07   7.067e-07    -6.116    -6.151    -0.034     (0)  
    H[13C]O2[18O]-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
-   H[13C]O[18O]O-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
    H[13C][18O]O2-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
+   H[13C]O[18O]O-   8.518e-08   7.851e-08    -7.070    -7.105    -0.035     (0)  
    [13C]O[18O]     6.505e-08   6.514e-08    -7.187    -7.186     0.001     (0)  
    Ca[13C]O3       2.442e-08   2.445e-08    -7.612    -7.612     0.001     (0)  
    [13C]O3-2       1.433e-08   1.034e-08    -7.844    -7.985    -0.142     (0)  
+   CaH[13C][18O]O2+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    CaH[13C]O2[18O]+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    CaH[13C]O[18O]O+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
-   CaH[13C][18O]O2+   1.526e-09   1.410e-09    -8.816    -8.851    -0.034     (0)  
    H[13C]O[18O]2-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
    H[13C][18O]2O-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
    H[13C][18O]O[18O]-   1.699e-10   1.566e-10    -9.770    -9.805    -0.035     (0)  
@@ -29187,52 +29175,52 @@ O(0)          1.510e-14
    [13C]O2[18O]-2   8.578e-11   6.191e-11   -10.067   -10.208    -0.142     (0)  
    [13C][18O]2     6.763e-11   6.772e-11   -10.170   -10.169     0.001     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.499  -134.499     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.252  -134.251     0.001     (0)  
 [14C](4)      4.061e-15
    H[14C]O3-       2.922e-15   2.694e-15   -14.534   -14.570    -0.035     (0)  
    [14C]O2         1.062e-15   1.063e-15   -14.974   -14.973     0.001     (0)  
    CaH[14C]O3+     5.236e-17   4.837e-17   -16.281   -16.315    -0.034     (0)  
-   H[14C]O2[18O]-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
-   H[14C]O[18O]O-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
    H[14C][18O]O2-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
+   H[14C]O[18O]O-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
+   H[14C]O2[18O]-   5.831e-18   5.374e-18   -17.234   -17.270    -0.035     (0)  
    [14C]O[18O]     4.414e-18   4.420e-18   -17.355   -17.355     0.001     (0)  
    Ca[14C]O3       1.669e-18   1.671e-18   -17.777   -17.777     0.001     (0)  
    [14C]O3-2       9.796e-19   7.070e-19   -18.009   -18.151    -0.142     (0)  
    CaH[14C]O2[18O]+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
-   CaH[14C]O[18O]O+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
    CaH[14C][18O]O2+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
-   H[14C]O[18O]2-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
-   H[14C][18O]2O-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   CaH[14C]O[18O]O+   1.045e-19   9.651e-20   -18.981   -19.015    -0.034     (0)  
    H[14C][18O]O[18O]-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   H[14C][18O]2O-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
+   H[14C]O[18O]2-   1.163e-20   1.072e-20   -19.934   -19.970    -0.035     (0)  
    Ca[14C]O2[18O]   9.991e-21   1.000e-20   -20.000   -20.000     0.001     (0)  
    [14C]O2[18O]-2   5.863e-21   4.232e-21   -20.232   -20.373    -0.142     (0)  
    [14C][18O]2     4.589e-21   4.595e-21   -20.338   -20.338     0.001     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
-   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    HC[18O]O2-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
+   HCO[18O]O-      7.717e-06   7.113e-06    -5.113    -5.148    -0.035     (0)  
    CO[18O]         5.945e-06   5.953e-06    -5.226    -5.225     0.001     (0)  
    CaHCO2[18O]+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHCO[18O]O+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
    CaHC[18O]O2+    1.383e-07   1.277e-07    -6.859    -6.894    -0.034     (0)  
-[18O](0)      3.007e-17
-   O[18O]          3.001e-17   3.005e-17   -16.523   -16.522     0.001     (0)  
-   [18O]2          2.994e-20   2.998e-20   -19.524   -19.523     0.001     (0)  
+[18O](0)      2.262e-17
+   O[18O]          2.258e-17   2.261e-17   -16.646   -16.646     0.001     (0)  
+   [18O]2          2.252e-20   2.256e-20   -19.647   -19.647     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.70    -10.21   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.47   -124.33   -2.86  [13C]H4
+  [13C]H4(g)     -121.22   -124.08   -2.86  [13C]H4
   [13C]O2(g)       -3.34     -4.81   -1.47  [13C]O2
   [13C]O[18O](g)   -5.72     -7.51   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -18.87    -20.37   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.64   -134.50   -2.86  [14C]H4
+  [14C]H4(g)     -131.39   -134.25   -2.86  [14C]H4
   [14C]O2(g)      -13.50    -14.97   -1.47  [14C]O2
   [14C]O[18O](g)  -15.89    -17.67   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.23    -19.52   -2.29  [18O]2
+  [18O]2(g)       -17.36    -19.65   -2.29  [18O]2
   C[18O]2(g)       -6.74     -8.24   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.42     -2.26    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.57      3.14    7.71  Ca[13C]O2[18O]
@@ -29246,14 +29234,14 @@ O(0)          1.510e-14
   CaCO2[18O](s)    -2.61      5.10    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -5.30      2.40    7.70  CaCO[18O]2
   Calcite          -0.40     -8.88   -8.48  CaCO3
-  CH4(g)         -119.51   -122.37   -2.86  CH4
+  CH4(g)         -119.26   -122.12   -2.86  CH4
   CO2(g)           -1.38     -2.84   -1.47  CO2
   CO[18O](g)       -3.76     -5.54   -1.79  CO[18O]
-  H2(g)           -35.98    -39.13   -3.15  H2
+  H2(g)           -35.92    -39.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.23    -14.12   -2.89  O2
-  O[18O](g)       -13.93    -16.82   -2.89  O[18O]
+  O2(g)           -11.35    -14.25   -2.89  O2
+  O[18O](g)       -14.05    -16.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -29343,12 +29331,12 @@ Calcite                                     5.60e-05
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2455e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6868e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.653e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -29368,16 +29356,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.983      Adjusted to redox equilibrium
+                                       pe  =  10.791      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.841e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   5.094e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  80
+                               Iterations  =  77
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -29390,24 +29378,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.379  -122.378     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -120.842  -120.842     0.001     (0)  
 C(4)          5.841e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.976e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.802e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -29415,50 +29403,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.097e-06   1.006e-06    -5.960    -5.997    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.023e-08   6.033e-08    -7.220    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.614e-39
-   H2              8.071e-40   8.085e-40   -39.093   -39.092     0.001     (0)  
-O(0)          1.273e-14
-   O2              6.342e-15   6.352e-15   -14.198   -14.197     0.001     (0)  
-   O[18O]          2.531e-17   2.535e-17   -16.597   -16.596     0.001     (0)  
+H(0)          3.910e-39
+   H2              1.955e-39   1.958e-39   -38.709   -38.708     0.001     (0)  
+O(0)          2.171e-15
+   O2              1.081e-15   1.083e-15   -14.966   -14.965     0.001     (0)  
+   O[18O]          4.314e-18   4.321e-18   -17.365   -17.364     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.340  -124.339     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -122.803  -122.802     0.001     (0)  
 [13C](4)      6.441e-05
    H[13C]O3-       5.195e-05   4.753e-05    -4.284    -4.323    -0.039     (0)  
    [13C]O2         1.090e-05   1.092e-05    -4.962    -4.962     0.001     (0)  
    CaH[13C]O3+     1.097e-06   1.006e-06    -5.960    -5.997    -0.037     (0)  
-   H[13C]O2[18O]-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
-   H[13C]O[18O]O-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
    H[13C][18O]O2-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O[18O]O-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O2[18O]-   1.037e-07   9.483e-08    -6.984    -7.023    -0.039     (0)  
    Ca[13C]O3       6.023e-08   6.033e-08    -7.220    -7.219     0.001     (0)  
    [13C]O[18O]     4.534e-08   4.542e-08    -7.343    -7.343     0.001     (0)  
    [13C]O3-2       3.090e-08   2.164e-08    -7.510    -7.665    -0.155     (0)  
+   CaH[13C][18O]O2+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    CaH[13C]O2[18O]+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    CaH[13C]O[18O]O+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
-   CaH[13C][18O]O2+   2.189e-09   2.008e-09    -8.660    -8.697    -0.037     (0)  
    Ca[13C]O2[18O]   3.605e-10   3.611e-10    -9.443    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
-   H[13C][18O]2O-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
    H[13C][18O]O[18O]-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C][18O]2O-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C]O[18O]2-   2.068e-10   1.892e-10    -9.684    -9.723    -0.039     (0)  
    [13C]O2[18O]-2   1.849e-10   1.295e-10    -9.733    -9.888    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -134.547  -134.547     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -133.011  -133.010     0.001     (0)  
 [14C](4)      4.023e-15
    H[14C]O3-       3.250e-15   2.973e-15   -14.488   -14.527    -0.039     (0)  
    [14C]O2         6.762e-16   6.773e-16   -15.170   -15.169     0.001     (0)  
    CaH[14C]O3+     6.862e-17   6.295e-17   -16.164   -16.201    -0.037     (0)  
-   H[14C]O2[18O]-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
-   H[14C]O[18O]O-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
    H[14C][18O]O2-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
+   H[14C]O[18O]O-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
+   H[14C]O2[18O]-   6.483e-18   5.931e-18   -17.188   -17.227    -0.039     (0)  
    Ca[14C]O3       3.762e-18   3.768e-18   -17.425   -17.424     0.001     (0)  
    [14C]O[18O]     2.812e-18   2.816e-18   -17.551   -17.550     0.001     (0)  
    [14C]O3-2       1.930e-18   1.352e-18   -17.715   -17.869    -0.155     (0)  
    CaH[14C]O2[18O]+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
    CaH[14C][18O]O2+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.369e-19   1.256e-19   -18.864   -18.901    -0.037     (0)  
    Ca[14C]O2[18O]   2.252e-20   2.255e-20   -19.648   -19.647     0.001     (0)  
    H[14C]O[18O]2-   1.294e-20   1.183e-20   -19.888   -19.927    -0.039     (0)  
    H[14C][18O]2O-   1.294e-20   1.183e-20   -19.888   -19.927    -0.039     (0)  
@@ -29467,29 +29455,29 @@ O(0)          1.273e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.536e-17
-   O[18O]          2.531e-17   2.535e-17   -16.597   -16.596     0.001     (0)  
-   [18O]2          2.524e-20   2.529e-20   -19.598   -19.597     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      4.323e-18
+   O[18O]          4.314e-18   4.321e-18   -17.365   -17.364     0.001     (0)  
+   [18O]2          4.304e-21   4.311e-21   -20.366   -20.365     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.48   -124.34   -2.86  [13C]H4
+  [13C]H4(g)     -119.94   -122.80   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.07    -20.57   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.69   -134.55   -2.86  [14C]H4
+  [14C]H4(g)     -130.15   -133.01   -2.86  [14C]H4
   [14C]O2(g)      -13.70    -15.17   -1.47  [14C]O2
   [14C]O[18O](g)  -16.08    -17.87   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.31    -19.60   -2.29  [18O]2
+  [18O]2(g)       -18.08    -20.37   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -29503,14 +29491,14 @@ O(0)          1.273e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.52   -122.38   -2.86  CH4
+  CH4(g)         -117.98   -120.84   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.94    -39.09   -3.15  H2
+  H2(g)           -35.56    -38.71   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.30    -14.20   -2.89  O2
-  O[18O](g)       -14.00    -16.90   -2.89  O[18O]
+  O2(g)           -12.07    -14.97   -2.89  O2
+  O[18O](g)       -14.77    -17.67   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -29574,23 +29562,24 @@ Calcite                                     5.56e-04
 
      R(18O)              	 1.99518e-03	        -4.9954  permil    
      R(13C)              	 1.10383e-02	        -12.693  permil    
-     R(14C)              	 6.34987e-13	         54.001  pmc       
+     R(14C)              	 6.34990e-13	         54.001  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9969  permil    
      R(18O) OH-          	 1.92121e-03	        -41.884  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
-     R(18O) O2(aq)       	 1.99518e-03	        -4.9969  permil    
      R(13C) CO2(aq)      	 1.09593e-02	        -19.759  permil    
-     R(14C) CO2(aq)      	 6.25925e-13	          53.23  pmc       
+     R(14C) CO2(aq)      	 6.25927e-13	          53.23  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9969  permil    
      R(13C) HCO3-        	 1.10546e-02	        -11.231  permil    
-     R(14C) HCO3-        	 6.36863e-13	          54.16  pmc       
+     R(14C) HCO3-        	 6.36865e-13	          54.16  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9969  permil    
      R(13C) CO3-2        	 1.10388e-02	         -12.65  permil    
-     R(14C) CO3-2        	 6.35036e-13	         54.005  pmc       
+     R(14C) CO3-2        	 6.35038e-13	         54.005  pmc       
+     R(13C) CH4(aq)      	 1.09593e-02	        -19.759  permil    
+     R(14C) CH4(aq)      	 6.25927e-13	          53.23  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.649  permil    
      R(13C) Calcite      	 1.10765e-02	        -9.2726  permil    
-     R(14C) Calcite      	 6.39388e-13	         54.375  pmc       
+     R(14C) Calcite      	 6.39390e-13	         54.375  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -29600,14 +29589,15 @@ Calcite                                     5.56e-04
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2552e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5969e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.637e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
+Alpha 13C CH4(aq)/CO2(aq)                         1    1.3323e-11             0
+Alpha 14C CH4(aq)/CO2(aq)                         1    1.1324e-11             0
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
 Alpha 13C Calcite/CO2(aq)                    1.0107        10.641        10.641
 Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
@@ -29625,16 +29615,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  10.893      Adjusted to redox equilibrium
+                                       pe  =  -1.460      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.841e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   4.012e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =   5
+                               Iterations  =  19
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -29646,14 +29636,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    H3O+            1.111e-07   1.027e-07    -6.954    -6.989    -0.034      0.00
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -121.655  -121.655     0.001     (0)  
+C(-4)         1.483e-23
+   CH4             1.483e-23   1.486e-23   -22.829   -22.828     0.001     (0)  
 C(4)          5.841e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -29662,9 +29652,9 @@ C(4)          5.841e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -29672,23 +29662,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.098e-06   1.007e-06    -5.959    -5.997    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.028e-08   6.038e-08    -7.220    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          2.449e-39
-   H2              1.224e-39   1.226e-39   -38.912   -38.911     0.001     (0)  
-O(0)          5.535e-15
-   O2              2.756e-15   2.761e-15   -14.560   -14.559     0.001     (0)  
-   O[18O]          1.100e-17   1.102e-17   -16.959   -16.958     0.001     (0)  
-[13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -123.616  -123.615     0.001     (0)  
+H(0)          1.246e-14
+   H2              6.231e-15   6.241e-15   -14.205   -14.205     0.001     (0)  
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -63.973   -63.972     0.001     (0)  
+   O[18O]          0.000e+00   0.000e+00   -66.372   -66.371     0.001     (0)  
+[13C](-4)     1.626e-25
+   [13C]H4         1.626e-25   1.628e-25   -24.789   -24.788     0.001     (0)  
 [13C](4)      6.447e-05
    H[13C]O3-       5.200e-05   4.757e-05    -4.284    -4.323    -0.039     (0)  
    [13C]O2         1.091e-05   1.093e-05    -4.962    -4.961     0.001     (0)  
    CaH[13C]O3+     1.098e-06   1.007e-06    -5.959    -5.997    -0.037     (0)  
-   H[13C]O2[18O]-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    H[13C]O[18O]O-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
+   H[13C]O2[18O]-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    H[13C][18O]O2-   1.038e-07   9.492e-08    -6.984    -7.023    -0.039     (0)  
    Ca[13C]O3       6.028e-08   6.038e-08    -7.220    -7.219     0.001     (0)  
    [13C]O[18O]     4.539e-08   4.546e-08    -7.343    -7.342     0.001     (0)  
@@ -29697,56 +29687,56 @@ O(0)          5.535e-15
    CaH[13C]O[18O]O+   2.191e-09   2.010e-09    -8.659    -8.697    -0.037     (0)  
    CaH[13C][18O]O2+   2.191e-09   2.010e-09    -8.659    -8.697    -0.037     (0)  
    Ca[13C]O2[18O]   3.608e-10   3.614e-10    -9.443    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
-   H[13C][18O]2O-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
    H[13C][18O]O[18O]-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C][18O]2O-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
+   H[13C]O[18O]2-   2.070e-10   1.894e-10    -9.684    -9.723    -0.039     (0)  
    [13C]O2[18O]-2   1.851e-10   1.297e-10    -9.733    -9.887    -0.155     (0)  
-[14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -133.859  -133.858     0.001     (0)  
+[14C](-4)     9.285e-36
+   [14C]H4         9.285e-36   9.301e-36   -35.032   -35.031     0.001     (0)  
 [14C](4)      3.709e-15
    H[14C]O3-       2.996e-15   2.741e-15   -14.523   -14.562    -0.039     (0)  
    [14C]O2         6.234e-16   6.244e-16   -15.205   -15.205     0.001     (0)  
    CaH[14C]O3+     6.326e-17   5.803e-17   -16.199   -16.236    -0.037     (0)  
-   H[14C]O2[18O]-   5.977e-18   5.468e-18   -17.224   -17.262    -0.039     (0)  
-   H[14C]O[18O]O-   5.977e-18   5.468e-18   -17.224   -17.262    -0.039     (0)  
    H[14C][18O]O2-   5.977e-18   5.468e-18   -17.224   -17.262    -0.039     (0)  
+   H[14C]O[18O]O-   5.977e-18   5.468e-18   -17.224   -17.262    -0.039     (0)  
+   H[14C]O2[18O]-   5.977e-18   5.468e-18   -17.224   -17.262    -0.039     (0)  
    Ca[14C]O3       3.468e-18   3.474e-18   -17.460   -17.459     0.001     (0)  
    [14C]O[18O]     2.592e-18   2.596e-18   -17.586   -17.586     0.001     (0)  
    [14C]O3-2       1.779e-18   1.246e-18   -17.750   -17.904    -0.155     (0)  
    CaH[14C]O2[18O]+   1.262e-19   1.158e-19   -18.899   -18.936    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.262e-19   1.158e-19   -18.899   -18.936    -0.037     (0)  
    CaH[14C][18O]O2+   1.262e-19   1.158e-19   -18.899   -18.936    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.262e-19   1.158e-19   -18.899   -18.936    -0.037     (0)  
    Ca[14C]O2[18O]   2.076e-20   2.079e-20   -19.683   -19.682     0.001     (0)  
-   H[14C]O[18O]2-   1.193e-20   1.091e-20   -19.924   -19.962    -0.039     (0)  
    H[14C][18O]2O-   1.193e-20   1.091e-20   -19.924   -19.962    -0.039     (0)  
    H[14C][18O]O[18O]-   1.193e-20   1.091e-20   -19.924   -19.962    -0.039     (0)  
+   H[14C]O[18O]2-   1.193e-20   1.091e-20   -19.924   -19.962    -0.039     (0)  
    [14C]O2[18O]-2   1.065e-20   7.460e-21   -19.973   -20.127    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.102e-17
-   O[18O]          1.100e-17   1.102e-17   -16.959   -16.958     0.001     (0)  
-   [18O]2          1.097e-20   1.099e-20   -19.960   -19.959     0.001     (0)  
+[18O](0)      0.000e+00
+   O[18O]          0.000e+00   0.000e+00   -66.372   -66.371     0.001     (0)  
+   [18O]2          0.000e+00   0.000e+00   -69.373   -69.372     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -120.75   -123.61   -2.86  [13C]H4
+  [13C]H4(g)      -21.93    -24.79   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.10    -20.60   -1.50  [14C][18O]2
-  [14C]H4(g)     -131.00   -133.86   -2.86  [14C]H4
+  [14C]H4(g)      -32.17    -35.03   -2.86  [14C]H4
   [14C]O2(g)      -13.74    -15.20   -1.47  [14C]O2
   [14C]O[18O](g)  -16.12    -17.90   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.67    -19.96   -2.29  [18O]2
+  [18O]2(g)       -67.08    -69.37   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -29760,14 +29750,14 @@ O(0)          5.535e-15
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -118.79   -121.65   -2.86  CH4
+  CH4(g)          -19.97    -22.83   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -35.76    -38.91   -3.15  H2
+  H2(g)           -11.05    -14.20   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.67    -14.56   -2.89  O2
-  O[18O](g)       -14.37    -17.26   -2.89  O[18O]
+  O2(g)           -61.08    -63.97   -2.89  O2
+  O[18O](g)       -63.78    -66.67   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -29831,23 +29821,23 @@ Calcite                                     1.06e-03
 
      R(18O)              	 1.99518e-03	        -4.9952  permil    
      R(13C)              	 1.10474e-02	        -11.877  permil    
-     R(14C)              	 5.89002e-13	          50.09  pmc       
+     R(14C)              	 5.89005e-13	          50.09  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9968  permil    
      R(18O) OH-          	 1.92121e-03	        -41.884  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9968  permil    
      R(13C) CO2(aq)      	 1.09684e-02	        -18.949  permil    
-     R(14C) CO2(aq)      	 5.80595e-13	         49.375  pmc       
+     R(14C) CO2(aq)      	 5.80599e-13	         49.375  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9968  permil    
      R(13C) HCO3-        	 1.10638e-02	        -10.413  permil    
-     R(14C) HCO3-        	 5.90741e-13	         50.238  pmc       
+     R(14C) HCO3-        	 5.90745e-13	         50.238  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9968  permil    
      R(13C) CO3-2        	 1.10479e-02	        -11.834  permil    
-     R(14C) CO3-2        	 5.89047e-13	         50.094  pmc       
+     R(14C) CO3-2        	 5.89051e-13	         50.094  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.649  permil    
      R(13C) Calcite      	 1.10857e-02	        -8.4535  permil    
-     R(14C) Calcite      	 5.93084e-13	         50.437  pmc       
+     R(14C) Calcite      	 5.93088e-13	         50.437  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -29857,12 +29847,12 @@ Calcite                                     1.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2345e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2516e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6426e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6414e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -29882,16 +29872,16 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.211      Adjusted to redox equilibrium
+                                       pe  =  10.997      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =   4
+                               Iterations  =  15
                                   Total H  = 1.110126e+02
                                   Total O  = 5.540996e+01
 
@@ -29904,24 +29894,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.198  -124.198     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.489  -122.488     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.304e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -29929,81 +29919,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.099e-06   1.008e-06    -5.959    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.033e-08   6.043e-08    -7.219    -7.219     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.664e-40
-   H2              2.832e-40   2.837e-40   -39.548   -39.547     0.001     (0)  
-O(0)          1.034e-13
-   O2              5.150e-14   5.159e-14   -13.288   -13.287     0.001     (0)  
-   O[18O]          2.055e-16   2.059e-16   -15.687   -15.686     0.001     (0)  
+H(0)          1.515e-39
+   H2              7.576e-40   7.588e-40   -39.121   -39.120     0.001     (0)  
+O(0)          1.445e-14
+   O2              7.198e-15   7.210e-15   -14.143   -14.142     0.001     (0)  
+   O[18O]          2.872e-17   2.877e-17   -16.542   -16.541     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.158  -126.158     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.449  -124.448     0.001     (0)  
 [13C](4)      6.452e-05
    H[13C]O3-       5.204e-05   4.761e-05    -4.284    -4.322    -0.039     (0)  
    [13C]O2         1.092e-05   1.094e-05    -4.962    -4.961     0.001     (0)  
    CaH[13C]O3+     1.099e-06   1.008e-06    -5.959    -5.996    -0.037     (0)  
    H[13C]O2[18O]-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
-   H[13C]O[18O]O-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
+   H[13C]O[18O]O-   1.038e-07   9.500e-08    -6.984    -7.022    -0.039     (0)  
    Ca[13C]O3       6.033e-08   6.043e-08    -7.219    -7.219     0.001     (0)  
    [13C]O[18O]     4.542e-08   4.550e-08    -7.343    -7.342     0.001     (0)  
    [13C]O3-2       3.095e-08   2.168e-08    -7.509    -7.664    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.193e-09   2.011e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O[18O]O+   2.193e-09   2.011e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C][18O]O2+   2.193e-09   2.011e-09    -8.659    -8.696    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.193e-09   2.011e-09    -8.659    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.611e-10   3.617e-10    -9.442    -9.442     0.001     (0)  
-   H[13C]O[18O]2-   2.072e-10   1.895e-10    -9.684    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.072e-10   1.895e-10    -9.684    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.072e-10   1.895e-10    -9.684    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.072e-10   1.895e-10    -9.684    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.072e-10   1.895e-10    -9.684    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.853e-10   1.298e-10    -9.732    -9.887    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.435  -136.434     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.725  -134.725     0.001     (0)  
 [14C](4)      3.440e-15
    H[14C]O3-       2.779e-15   2.542e-15   -14.556   -14.595    -0.039     (0)  
    [14C]O2         5.782e-16   5.792e-16   -15.238   -15.237     0.001     (0)  
    CaH[14C]O3+     5.868e-17   5.383e-17   -16.232   -16.269    -0.037     (0)  
-   H[14C]O2[18O]-   5.544e-18   5.072e-18   -17.256   -17.295    -0.039     (0)  
-   H[14C]O[18O]O-   5.544e-18   5.072e-18   -17.256   -17.295    -0.039     (0)  
    H[14C][18O]O2-   5.544e-18   5.072e-18   -17.256   -17.295    -0.039     (0)  
+   H[14C]O[18O]O-   5.544e-18   5.072e-18   -17.256   -17.295    -0.039     (0)  
+   H[14C]O2[18O]-   5.544e-18   5.072e-18   -17.256   -17.295    -0.039     (0)  
    Ca[14C]O3       3.217e-18   3.222e-18   -17.493   -17.492     0.001     (0)  
    [14C]O[18O]     2.404e-18   2.408e-18   -17.619   -17.618     0.001     (0)  
    [14C]O3-2       1.650e-18   1.156e-18   -17.782   -17.937    -0.155     (0)  
    CaH[14C]O2[18O]+   1.171e-19   1.074e-19   -18.932   -18.969    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.171e-19   1.074e-19   -18.932   -18.969    -0.037     (0)  
    CaH[14C][18O]O2+   1.171e-19   1.074e-19   -18.932   -18.969    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.171e-19   1.074e-19   -18.932   -18.969    -0.037     (0)  
    Ca[14C]O2[18O]   1.925e-20   1.929e-20   -19.715   -19.715     0.001     (0)  
+   H[14C][18O]O[18O]-   1.106e-20   1.012e-20   -19.956   -19.995    -0.039     (0)  
    H[14C]O[18O]2-   1.106e-20   1.012e-20   -19.956   -19.995    -0.039     (0)  
    H[14C][18O]2O-   1.106e-20   1.012e-20   -19.956   -19.995    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.106e-20   1.012e-20   -19.956   -19.995    -0.039     (0)  
-   [14C]O2[18O]-2   9.877e-21   6.919e-21   -20.005   -20.160    -0.155     (0)  
+   [14C]O2[18O]-2   9.877e-21   6.920e-21   -20.005   -20.160    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.059e-16
-   O[18O]          2.055e-16   2.059e-16   -15.687   -15.686     0.001     (0)  
-   [18O]2          2.050e-19   2.054e-19   -18.688   -18.687     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.878e-17
+   O[18O]          2.872e-17   2.877e-17   -16.542   -16.541     0.001     (0)  
+   [18O]2          2.865e-20   2.870e-20   -19.543   -19.542     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.30   -126.16   -2.86  [13C]H4
+  [13C]H4(g)     -121.59   -124.45   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.13    -20.64   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.57   -136.43   -2.86  [14C]H4
+  [14C]H4(g)     -131.86   -134.72   -2.86  [14C]H4
   [14C]O2(g)      -13.77    -15.24   -1.47  [14C]O2
   [14C]O[18O](g)  -16.15    -17.94   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.40    -18.69   -2.29  [18O]2
+  [18O]2(g)       -17.25    -19.54   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -30017,14 +30007,14 @@ O(0)          1.034e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.34   -124.20   -2.86  CH4
+  CH4(g)         -119.63   -122.49   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.40    -39.55   -3.15  H2
+  H2(g)           -35.97    -39.12   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.40    -13.29   -2.89  O2
-  O[18O](g)       -13.10    -15.99   -2.89  O[18O]
+  O2(g)           -11.25    -14.14   -2.89  O2
+  O[18O](g)       -13.95    -16.84   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -30088,23 +30078,23 @@ Calcite                                     1.56e-03
 
      R(18O)              	 1.99518e-03	        -4.9951  permil    
      R(13C)              	 1.10553e-02	        -11.171  permil    
-     R(14C)              	 5.49227e-13	         46.707  pmc       
+     R(14C)              	 5.49230e-13	         46.708  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9966  permil    
      R(18O) OH-          	 1.92121e-03	        -41.884  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9966  permil    
      R(13C) CO2(aq)      	 1.09762e-02	        -18.247  permil    
-     R(14C) CO2(aq)      	 5.41388e-13	         46.041  pmc       
+     R(14C) CO2(aq)      	 5.41392e-13	         46.041  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9966  permil    
      R(13C) HCO3-        	 1.10717e-02	        -9.7061  permil    
-     R(14C) HCO3-        	 5.50849e-13	         46.845  pmc       
+     R(14C) HCO3-        	 5.50853e-13	         46.846  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9966  permil    
      R(13C) CO3-2        	 1.10558e-02	        -11.127  permil    
-     R(14C) CO3-2        	 5.49269e-13	         46.711  pmc       
+     R(14C) CO3-2        	 5.49273e-13	         46.711  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.10936e-02	        -7.7446  permil    
-     R(14C) Calcite      	 5.53033e-13	         47.031  pmc       
+     R(14C) Calcite      	 5.53037e-13	         47.031  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -30114,12 +30104,12 @@ Calcite                                     1.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2702e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    4.4409e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6112e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6221e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -30139,14 +30129,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.207      Adjusted to redox equilibrium
+                                       pe  =  11.052      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   4
                                   Total H  = 1.110126e+02
@@ -30161,14 +30151,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.168  -124.167     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.926  -122.925     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
@@ -30176,9 +30166,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.873e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -30186,50 +30176,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.959    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.038e-08   6.048e-08    -7.219    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.764e-40
-   H2              2.882e-40   2.887e-40   -39.540   -39.540     0.001     (0)  
-O(0)          9.987e-14
-   O2              4.974e-14   4.982e-14   -13.303   -13.303     0.001     (0)  
-   O[18O]          1.985e-16   1.988e-16   -15.702   -15.702     0.001     (0)  
+H(0)          1.178e-39
+   H2              5.891e-40   5.900e-40   -39.230   -39.229     0.001     (0)  
+O(0)          2.391e-14
+   O2              1.191e-14   1.193e-14   -13.924   -13.924     0.001     (0)  
+   O[18O]          4.751e-17   4.759e-17   -16.323   -16.323     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.128  -126.127     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.886  -124.885     0.001     (0)  
 [13C](4)      6.457e-05
    H[13C]O3-       5.208e-05   4.765e-05    -4.283    -4.322    -0.039     (0)  
    [13C]O2         1.093e-05   1.095e-05    -4.961    -4.961     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.959    -5.996    -0.037     (0)  
-   H[13C]O2[18O]-   1.039e-07   9.506e-08    -6.983    -7.022    -0.039     (0)  
-   H[13C]O[18O]O-   1.039e-07   9.506e-08    -6.983    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.039e-07   9.506e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O[18O]O-   1.039e-07   9.506e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O2[18O]-   1.039e-07   9.506e-08    -6.983    -7.022    -0.039     (0)  
    Ca[13C]O3       6.038e-08   6.048e-08    -7.219    -7.218     0.001     (0)  
    [13C]O[18O]     4.545e-08   4.553e-08    -7.342    -7.342     0.001     (0)  
    [13C]O3-2       3.097e-08   2.170e-08    -7.509    -7.664    -0.155     (0)  
+   CaH[13C][18O]O2+   2.194e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O2[18O]+   2.194e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    CaH[13C]O[18O]O+   2.194e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
-   CaH[13C][18O]O2+   2.194e-09   2.013e-09    -8.659    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.614e-10   3.620e-10    -9.442    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.073e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.073e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.073e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.073e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.073e-10   1.897e-10    -9.683    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.854e-10   1.299e-10    -9.732    -9.886    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.435  -136.434     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -135.193  -135.192     0.001     (0)  
 [14C](4)      3.208e-15
    H[14C]O3-       2.591e-15   2.371e-15   -14.587   -14.625    -0.039     (0)  
    [14C]O2         5.392e-16   5.401e-16   -15.268   -15.268     0.001     (0)  
    CaH[14C]O3+     5.472e-17   5.019e-17   -16.262   -16.299    -0.037     (0)  
-   H[14C]O2[18O]-   5.170e-18   4.730e-18   -17.287   -17.325    -0.039     (0)  
-   H[14C]O[18O]O-   5.170e-18   4.730e-18   -17.287   -17.325    -0.039     (0)  
    H[14C][18O]O2-   5.170e-18   4.730e-18   -17.287   -17.325    -0.039     (0)  
+   H[14C]O[18O]O-   5.170e-18   4.730e-18   -17.287   -17.325    -0.039     (0)  
+   H[14C]O2[18O]-   5.170e-18   4.730e-18   -17.287   -17.325    -0.039     (0)  
    Ca[14C]O3       3.000e-18   3.005e-18   -17.523   -17.522     0.001     (0)  
    [14C]O[18O]     2.242e-18   2.246e-18   -17.649   -17.649     0.001     (0)  
    [14C]O3-2       1.539e-18   1.078e-18   -17.813   -17.967    -0.155     (0)  
    CaH[14C]O2[18O]+   1.092e-19   1.001e-19   -18.962   -18.999    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.092e-19   1.001e-19   -18.962   -18.999    -0.037     (0)  
    CaH[14C][18O]O2+   1.092e-19   1.001e-19   -18.962   -18.999    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.092e-19   1.001e-19   -18.962   -18.999    -0.037     (0)  
    Ca[14C]O2[18O]   1.795e-20   1.798e-20   -19.746   -19.745     0.001     (0)  
    H[14C]O[18O]2-   1.031e-20   9.437e-21   -19.987   -20.025    -0.039     (0)  
    H[14C][18O]2O-   1.031e-20   9.437e-21   -19.987   -20.025    -0.039     (0)  
@@ -30238,29 +30228,29 @@ O(0)          9.987e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.989e-16
-   O[18O]          1.985e-16   1.988e-16   -15.702   -15.702     0.001     (0)  
-   [18O]2          1.980e-19   1.983e-19   -18.703   -18.703     0.001     (0)  
+[18O](0)      4.760e-17
+   O[18O]          4.751e-17   4.759e-17   -16.323   -16.323     0.001     (0)  
+   [18O]2          4.739e-20   4.747e-20   -19.324   -19.324     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.27   -126.13   -2.86  [13C]H4
+  [13C]H4(g)     -122.03   -124.89   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.16    -20.67   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.57   -136.43   -2.86  [14C]H4
+  [14C]H4(g)     -132.33   -135.19   -2.86  [14C]H4
   [14C]O2(g)      -13.80    -15.27   -1.47  [14C]O2
   [14C]O[18O](g)  -16.18    -17.97   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.41    -18.70   -2.29  [18O]2
+  [18O]2(g)       -17.03    -19.32   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -30274,14 +30264,14 @@ O(0)          9.987e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.31   -124.17   -2.86  CH4
+  CH4(g)         -120.07   -122.93   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.39    -39.54   -3.15  H2
+  H2(g)           -36.08    -39.23   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.41    -13.30   -2.89  O2
-  O[18O](g)       -13.11    -16.00   -2.89  O[18O]
+  O2(g)           -11.03    -13.92   -2.89  O2
+  O[18O](g)       -13.73    -16.62   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -30345,23 +30335,23 @@ Calcite                                     2.06e-03
 
      R(18O)              	 1.99518e-03	         -4.995  permil    
      R(13C)              	 1.10622e-02	        -10.553  permil    
-     R(14C)              	 5.14484e-13	         43.753  pmc       
+     R(14C)              	 5.14487e-13	         43.753  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9965  permil    
      R(18O) OH-          	 1.92121e-03	        -41.884  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9965  permil    
      R(13C) CO2(aq)      	 1.09830e-02	        -17.634  permil    
-     R(14C) CO2(aq)      	 5.07141e-13	         43.128  pmc       
+     R(14C) CO2(aq)      	 5.07144e-13	         43.129  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9965  permil    
      R(13C) HCO3-        	 1.10786e-02	        -9.0879  permil    
-     R(14C) HCO3-        	 5.16004e-13	         43.882  pmc       
+     R(14C) HCO3-        	 5.16007e-13	         43.882  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9965  permil    
      R(13C) CO3-2        	 1.10627e-02	         -10.51  permil    
-     R(14C) CO3-2        	 5.14524e-13	         43.756  pmc       
+     R(14C) CO3-2        	 5.14527e-13	         43.756  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11005e-02	        -7.1253  permil    
-     R(14C) Calcite      	 5.18050e-13	         44.056  pmc       
+     R(14C) Calcite      	 5.18053e-13	         44.056  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -30371,12 +30361,12 @@ Calcite                                     2.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2489e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2647e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6954e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5002e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -30396,14 +30386,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.221      Adjusted to redox equilibrium
+                                       pe  =  10.996      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -30418,24 +30408,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.281  -124.280     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -122.481  -122.480     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -30443,23 +30433,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.958    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.041e-08   6.051e-08    -7.219    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.403e-40
-   H2              2.701e-40   2.706e-40   -39.568   -39.568     0.001     (0)  
-O(0)          1.137e-13
-   O2              5.662e-14   5.671e-14   -13.247   -13.246     0.001     (0)  
-   O[18O]          2.259e-16   2.263e-16   -15.646   -15.645     0.001     (0)  
+H(0)          1.522e-39
+   H2              7.612e-40   7.625e-40   -39.118   -39.118     0.001     (0)  
+O(0)          1.432e-14
+   O2              7.129e-15   7.141e-15   -14.147   -14.146     0.001     (0)  
+   O[18O]          2.845e-17   2.850e-17   -16.546   -16.545     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.240  -126.239     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -124.440  -124.439     0.001     (0)  
 [13C](4)      6.461e-05
    H[13C]O3-       5.211e-05   4.768e-05    -4.283    -4.322    -0.039     (0)  
    [13C]O2         1.094e-05   1.096e-05    -4.961    -4.960     0.001     (0)  
    CaH[13C]O3+     1.100e-06   1.009e-06    -5.958    -5.996    -0.037     (0)  
-   H[13C]O2[18O]-   1.040e-07   9.512e-08    -6.983    -7.022    -0.039     (0)  
    H[13C]O[18O]O-   1.040e-07   9.512e-08    -6.983    -7.022    -0.039     (0)  
+   H[13C]O2[18O]-   1.040e-07   9.512e-08    -6.983    -7.022    -0.039     (0)  
    H[13C][18O]O2-   1.040e-07   9.512e-08    -6.983    -7.022    -0.039     (0)  
    Ca[13C]O3       6.041e-08   6.051e-08    -7.219    -7.218     0.001     (0)  
    [13C]O[18O]     4.548e-08   4.556e-08    -7.342    -7.341     0.001     (0)  
@@ -30468,56 +30458,56 @@ O(0)          1.137e-13
    CaH[13C]O[18O]O+   2.196e-09   2.014e-09    -8.658    -8.696    -0.037     (0)  
    CaH[13C][18O]O2+   2.196e-09   2.014e-09    -8.658    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.616e-10   3.622e-10    -9.442    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.074e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
-   H[13C][18O]2O-   2.074e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
    H[13C][18O]O[18O]-   2.074e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C][18O]2O-   2.074e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
+   H[13C]O[18O]2-   2.074e-10   1.898e-10    -9.683    -9.722    -0.039     (0)  
    [13C]O2[18O]-2   1.855e-10   1.300e-10    -9.732    -9.886    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.575  -136.575     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -134.776  -134.775     0.001     (0)  
 [14C](4)      3.005e-15
    H[14C]O3-       2.427e-15   2.221e-15   -14.615   -14.654    -0.039     (0)  
    [14C]O2         5.051e-16   5.059e-16   -15.297   -15.296     0.001     (0)  
    CaH[14C]O3+     5.126e-17   4.702e-17   -16.290   -16.328    -0.037     (0)  
-   H[14C]O2[18O]-   4.843e-18   4.430e-18   -17.315   -17.354    -0.039     (0)  
-   H[14C]O[18O]O-   4.843e-18   4.430e-18   -17.315   -17.354    -0.039     (0)  
-   H[14C][18O]O2-   4.843e-18   4.430e-18   -17.315   -17.354    -0.039     (0)  
+   H[14C][18O]O2-   4.843e-18   4.431e-18   -17.315   -17.354    -0.039     (0)  
+   H[14C]O[18O]O-   4.843e-18   4.431e-18   -17.315   -17.354    -0.039     (0)  
+   H[14C]O2[18O]-   4.843e-18   4.431e-18   -17.315   -17.354    -0.039     (0)  
    Ca[14C]O3       2.810e-18   2.814e-18   -17.551   -17.551     0.001     (0)  
    [14C]O[18O]     2.100e-18   2.104e-18   -17.678   -17.677     0.001     (0)  
    [14C]O3-2       1.441e-18   1.010e-18   -17.841   -17.996    -0.155     (0)  
    CaH[14C]O2[18O]+   1.023e-19   9.381e-20   -18.990   -19.028    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.023e-19   9.381e-20   -18.990   -19.028    -0.037     (0)  
    CaH[14C][18O]O2+   1.023e-19   9.381e-20   -18.990   -19.028    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.023e-19   9.381e-20   -18.990   -19.028    -0.037     (0)  
    Ca[14C]O2[18O]   1.682e-20   1.685e-20   -19.774   -19.774     0.001     (0)  
-   H[14C]O[18O]2-   9.662e-21   8.840e-21   -20.015   -20.054    -0.039     (0)  
    H[14C][18O]2O-   9.662e-21   8.840e-21   -20.015   -20.054    -0.039     (0)  
    H[14C][18O]O[18O]-   9.662e-21   8.840e-21   -20.015   -20.054    -0.039     (0)  
+   H[14C]O[18O]2-   9.662e-21   8.840e-21   -20.015   -20.054    -0.039     (0)  
    [14C]O2[18O]-2   8.628e-21   6.044e-21   -20.064   -20.219    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.264e-16
-   O[18O]          2.259e-16   2.263e-16   -15.646   -15.645     0.001     (0)  
-   [18O]2          2.254e-19   2.257e-19   -18.647   -18.646     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.851e-17
+   O[18O]          2.845e-17   2.850e-17   -16.546   -16.545     0.001     (0)  
+   [18O]2          2.838e-20   2.843e-20   -19.547   -19.546     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.38   -126.24   -2.86  [13C]H4
+  [13C]H4(g)     -121.58   -124.44   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.19    -20.70   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.71   -136.57   -2.86  [14C]H4
+  [14C]H4(g)     -131.91   -134.77   -2.86  [14C]H4
   [14C]O2(g)      -13.83    -15.30   -1.47  [14C]O2
   [14C]O[18O](g)  -16.21    -18.00   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.36    -18.65   -2.29  [18O]2
+  [18O]2(g)       -17.26    -19.55   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.03     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -30531,14 +30521,14 @@ O(0)          1.137e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.42   -124.28   -2.86  CH4
+  CH4(g)         -119.62   -122.48   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.42    -39.57   -3.15  H2
+  H2(g)           -35.97    -39.12   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.35    -13.25   -2.89  O2
-  O[18O](g)       -13.05    -15.95   -2.89  O[18O]
+  O2(g)           -11.25    -14.15   -2.89  O2
+  O[18O](g)       -13.95    -16.85   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -30602,23 +30592,23 @@ Calcite                                     2.56e-03
 
      R(18O)              	 1.99518e-03	        -4.9948  permil    
      R(13C)              	 1.10683e-02	        -10.009  permil    
-     R(14C)              	 4.83875e-13	          41.15  pmc       
+     R(14C)              	 4.83878e-13	          41.15  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9963  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.011  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9963  permil    
      R(13C) CO2(aq)      	 1.09891e-02	        -17.094  permil    
-     R(14C) CO2(aq)      	 4.76969e-13	         40.562  pmc       
+     R(14C) CO2(aq)      	 4.76972e-13	         40.563  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.877  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9963  permil    
      R(13C) HCO3-        	 1.10847e-02	        -8.5432  permil    
-     R(14C) HCO3-        	 4.85304e-13	         41.271  pmc       
+     R(14C) HCO3-        	 4.85308e-13	         41.272  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9963  permil    
      R(13C) CO3-2        	 1.10688e-02	         -9.966  permil    
-     R(14C) CO3-2        	 4.83913e-13	         41.153  pmc       
+     R(14C) CO3-2        	 4.83916e-13	         41.153  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11066e-02	        -6.5794  permil    
-     R(14C) Calcite      	 4.87229e-13	         41.435  pmc       
+     R(14C) Calcite      	 4.87232e-13	         41.435  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -30628,12 +30618,12 @@ Calcite                                     2.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2714e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5706e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6498e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -30653,14 +30643,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.242      Adjusted to redox equilibrium
+                                       pe  =  11.186      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -30675,14 +30665,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.447  -124.446     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.997  -123.996     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
@@ -30690,9 +30680,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -30700,81 +30690,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.101e-06   1.010e-06    -5.958    -5.996    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.045e-08   6.055e-08    -7.219    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.909e-40
-   H2              2.454e-40   2.459e-40   -39.610   -39.609     0.001     (0)  
-O(0)          1.377e-13
-   O2              6.858e-14   6.869e-14   -13.164   -13.163     0.001     (0)  
-   O[18O]          2.736e-16   2.741e-16   -15.563   -15.562     0.001     (0)  
+H(0)          6.360e-40
+   H2              3.180e-40   3.185e-40   -39.498   -39.497     0.001     (0)  
+O(0)          8.203e-14
+   O2              4.085e-14   4.092e-14   -13.389   -13.388     0.001     (0)  
+   O[18O]          1.630e-16   1.633e-16   -15.788   -15.787     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.406  -126.405     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.956  -125.955     0.001     (0)  
 [13C](4)      6.464e-05
    H[13C]O3-       5.214e-05   4.770e-05    -4.283    -4.321    -0.039     (0)  
    [13C]O2         1.094e-05   1.096e-05    -4.961    -4.960     0.001     (0)  
    CaH[13C]O3+     1.101e-06   1.010e-06    -5.958    -5.996    -0.037     (0)  
    H[13C]O2[18O]-   1.040e-07   9.517e-08    -6.983    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.040e-07   9.517e-08    -6.983    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.040e-07   9.517e-08    -6.983    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.040e-07   9.517e-08    -6.983    -7.021    -0.039     (0)  
    Ca[13C]O3       6.045e-08   6.055e-08    -7.219    -7.218     0.001     (0)  
    [13C]O[18O]     4.551e-08   4.558e-08    -7.342    -7.341     0.001     (0)  
    [13C]O3-2       3.101e-08   2.172e-08    -7.509    -7.663    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.197e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
    CaH[13C]O[18O]O+   2.197e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
    CaH[13C][18O]O2+   2.197e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.197e-09   2.015e-09    -8.658    -8.696    -0.037     (0)  
    Ca[13C]O2[18O]   3.618e-10   3.624e-10    -9.442    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.076e-10   1.899e-10    -9.683    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.076e-10   1.899e-10    -9.683    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.076e-10   1.899e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.076e-10   1.899e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.076e-10   1.899e-10    -9.683    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.856e-10   1.300e-10    -9.731    -9.886    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.769  -136.768     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.319  -136.318     0.001     (0)  
 [14C](4)      2.826e-15
    H[14C]O3-       2.283e-15   2.088e-15   -14.642   -14.680    -0.039     (0)  
    [14C]O2         4.750e-16   4.758e-16   -15.323   -15.323     0.001     (0)  
    CaH[14C]O3+     4.821e-17   4.422e-17   -16.317   -16.354    -0.037     (0)  
-   H[14C]O2[18O]-   4.555e-18   4.167e-18   -17.342   -17.380    -0.039     (0)  
-   H[14C]O[18O]O-   4.555e-18   4.167e-18   -17.342   -17.380    -0.039     (0)  
    H[14C][18O]O2-   4.555e-18   4.167e-18   -17.342   -17.380    -0.039     (0)  
+   H[14C]O[18O]O-   4.555e-18   4.167e-18   -17.342   -17.380    -0.039     (0)  
+   H[14C]O2[18O]-   4.555e-18   4.167e-18   -17.342   -17.380    -0.039     (0)  
    Ca[14C]O3       2.643e-18   2.647e-18   -17.578   -17.577     0.001     (0)  
    [14C]O[18O]     1.975e-18   1.978e-18   -17.704   -17.704     0.001     (0)  
    [14C]O3-2       1.356e-18   9.497e-19   -17.868   -18.022    -0.155     (0)  
    CaH[14C]O2[18O]+   9.618e-20   8.823e-20   -19.017   -19.054    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.618e-20   8.823e-20   -19.017   -19.054    -0.037     (0)  
    CaH[14C][18O]O2+   9.618e-20   8.823e-20   -19.017   -19.054    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.618e-20   8.823e-20   -19.017   -19.054    -0.037     (0)  
    Ca[14C]O2[18O]   1.582e-20   1.584e-20   -19.801   -19.800     0.001     (0)  
+   H[14C][18O]O[18O]-   9.087e-21   8.314e-21   -20.042   -20.080    -0.039     (0)  
    H[14C]O[18O]2-   9.087e-21   8.314e-21   -20.042   -20.080    -0.039     (0)  
    H[14C][18O]2O-   9.087e-21   8.314e-21   -20.042   -20.080    -0.039     (0)  
-   H[14C][18O]O[18O]-   9.087e-21   8.314e-21   -20.042   -20.080    -0.039     (0)  
    [14C]O2[18O]-2   8.114e-21   5.684e-21   -20.091   -20.245    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.742e-16
-   O[18O]          2.736e-16   2.741e-16   -15.563   -15.562     0.001     (0)  
-   [18O]2          2.730e-19   2.734e-19   -18.564   -18.563     0.001     (0)  
+[18O](0)      1.633e-16
+   O[18O]          1.630e-16   1.633e-16   -15.788   -15.787     0.001     (0)  
+   [18O]2          1.626e-19   1.629e-19   -18.789   -18.788     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.55   -126.41   -2.86  [13C]H4
+  [13C]H4(g)     -123.10   -125.96   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.22    -20.72   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.91   -136.77   -2.86  [14C]H4
+  [14C]H4(g)     -133.46   -136.32   -2.86  [14C]H4
   [14C]O2(g)      -13.85    -15.32   -1.47  [14C]O2
   [14C]O[18O](g)  -16.24    -18.02   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.27    -18.56   -2.29  [18O]2
+  [18O]2(g)       -16.50    -18.79   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -30788,14 +30778,14 @@ O(0)          1.377e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.59   -124.45   -2.86  CH4
+  CH4(g)         -121.14   -124.00   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.46    -39.61   -3.15  H2
+  H2(g)           -36.35    -39.50   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.27    -13.16   -2.89  O2
-  O[18O](g)       -12.97    -15.86   -2.89  O[18O]
+  O2(g)           -10.50    -13.39   -2.89  O2
+  O[18O](g)       -13.20    -16.09   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -30859,23 +30849,23 @@ Calcite                                     3.06e-03
 
      R(18O)              	 1.99518e-03	        -4.9947  permil    
      R(13C)              	 1.10737e-02	        -9.5264  permil    
-     R(14C)              	 4.56704e-13	         38.839  pmc       
+     R(14C)              	 4.56707e-13	         38.839  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9962  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9962  permil    
      R(13C) CO2(aq)      	 1.09944e-02	        -16.615  permil    
-     R(14C) CO2(aq)      	 4.50186e-13	         38.285  pmc       
+     R(14C) CO2(aq)      	 4.50189e-13	         38.285  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9962  permil    
      R(13C) HCO3-        	 1.10901e-02	        -8.0594  permil    
-     R(14C) HCO3-        	 4.58053e-13	         38.954  pmc       
+     R(14C) HCO3-        	 4.58056e-13	         38.954  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9962  permil    
      R(13C) CO3-2        	 1.10742e-02	        -9.4829  permil    
-     R(14C) CO3-2        	 4.56739e-13	         38.842  pmc       
+     R(14C) CO3-2        	 4.56742e-13	         38.842  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11121e-02	        -6.0947  permil    
-     R(14C) Calcite      	 4.59869e-13	         39.108  pmc       
+     R(14C) Calcite      	 4.59872e-13	         39.109  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -30885,12 +30875,12 @@ Calcite                                     3.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2752e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2932e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6707e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6845e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -30910,14 +30900,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.233      Adjusted to redox equilibrium
+                                       pe  =  11.170      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -30932,24 +30922,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.379  -124.378     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.869  -123.868     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.963e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -30957,50 +30947,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.048e-08   6.058e-08    -7.218    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.105e-40
-   H2              2.553e-40   2.557e-40   -39.593   -39.592     0.001     (0)  
-O(0)          1.273e-13
-   O2              6.341e-14   6.351e-14   -13.198   -13.197     0.001     (0)  
-   O[18O]          2.530e-16   2.534e-16   -15.597   -15.596     0.001     (0)  
+H(0)          6.846e-40
+   H2              3.423e-40   3.429e-40   -39.466   -39.465     0.001     (0)  
+O(0)          7.080e-14
+   O2              3.526e-14   3.532e-14   -13.453   -13.452     0.001     (0)  
+   O[18O]          1.407e-16   1.409e-16   -15.852   -15.851     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.338  -126.337     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.828  -125.827     0.001     (0)  
 [13C](4)      6.467e-05
    H[13C]O3-       5.217e-05   4.773e-05    -4.283    -4.321    -0.039     (0)  
    [13C]O2         1.095e-05   1.097e-05    -4.961    -4.960     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.041e-07   9.522e-08    -6.983    -7.021    -0.039     (0)  
    Ca[13C]O3       6.048e-08   6.058e-08    -7.218    -7.218     0.001     (0)  
    [13C]O[18O]     4.553e-08   4.560e-08    -7.342    -7.341     0.001     (0)  
    [13C]O3-2       3.102e-08   2.173e-08    -7.508    -7.663    -0.155     (0)  
+   CaH[13C][18O]O2+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O2[18O]+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
-   CaH[13C][18O]O2+   2.198e-09   2.016e-09    -8.658    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.620e-10   3.626e-10    -9.441    -9.441     0.001     (0)  
-   H[13C]O[18O]2-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.077e-10   1.900e-10    -9.683    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.857e-10   1.301e-10    -9.731    -9.886    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.726  -136.725     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.216  -136.215     0.001     (0)  
 [14C](4)      2.667e-15
    H[14C]O3-       2.155e-15   1.971e-15   -14.667   -14.705    -0.039     (0)  
    [14C]O2         4.483e-16   4.491e-16   -15.348   -15.348     0.001     (0)  
    CaH[14C]O3+     4.550e-17   4.174e-17   -16.342   -16.379    -0.037     (0)  
-   H[14C]O2[18O]-   4.299e-18   3.933e-18   -17.367   -17.405    -0.039     (0)  
-   H[14C]O[18O]O-   4.299e-18   3.933e-18   -17.367   -17.405    -0.039     (0)  
    H[14C][18O]O2-   4.299e-18   3.933e-18   -17.367   -17.405    -0.039     (0)  
+   H[14C]O[18O]O-   4.299e-18   3.933e-18   -17.367   -17.405    -0.039     (0)  
+   H[14C]O2[18O]-   4.299e-18   3.933e-18   -17.367   -17.405    -0.039     (0)  
    Ca[14C]O3       2.494e-18   2.498e-18   -17.603   -17.602     0.001     (0)  
    [14C]O[18O]     1.864e-18   1.867e-18   -17.729   -17.729     0.001     (0)  
    [14C]O3-2       1.280e-18   8.964e-19   -17.893   -18.048    -0.155     (0)  
    CaH[14C]O2[18O]+   9.078e-20   8.327e-20   -19.042   -19.079    -0.037     (0)  
-   CaH[14C]O[18O]O+   9.078e-20   8.327e-20   -19.042   -19.079    -0.037     (0)  
    CaH[14C][18O]O2+   9.078e-20   8.327e-20   -19.042   -19.079    -0.037     (0)  
+   CaH[14C]O[18O]O+   9.078e-20   8.327e-20   -19.042   -19.079    -0.037     (0)  
    Ca[14C]O2[18O]   1.493e-20   1.495e-20   -19.826   -19.825     0.001     (0)  
    H[14C]O[18O]2-   8.577e-21   7.847e-21   -20.067   -20.105    -0.039     (0)  
    H[14C][18O]2O-   8.577e-21   7.847e-21   -20.067   -20.105    -0.039     (0)  
@@ -31009,29 +30999,29 @@ O(0)          1.273e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.535e-16
-   O[18O]          2.530e-16   2.534e-16   -15.597   -15.596     0.001     (0)  
-   [18O]2          2.524e-19   2.528e-19   -18.598   -18.597     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.410e-16
+   O[18O]          1.407e-16   1.409e-16   -15.852   -15.851     0.001     (0)  
+   [18O]2          1.404e-19   1.406e-19   -18.853   -18.852     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.48   -126.34   -2.86  [13C]H4
+  [13C]H4(g)     -122.97   -125.83   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.24    -20.75   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.86   -136.72   -2.86  [14C]H4
+  [14C]H4(g)     -133.36   -136.22   -2.86  [14C]H4
   [14C]O2(g)      -13.88    -15.35   -1.47  [14C]O2
   [14C]O[18O](g)  -16.26    -18.05   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.31    -18.60   -2.29  [18O]2
+  [18O]2(g)       -16.56    -18.85   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -31045,14 +31035,14 @@ O(0)          1.273e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.52   -124.38   -2.86  CH4
+  CH4(g)         -121.01   -123.87   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.44    -39.59   -3.15  H2
+  H2(g)           -36.31    -39.46   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.30    -13.20   -2.89  O2
-  O[18O](g)       -13.00    -15.90   -2.89  O[18O]
+  O2(g)           -10.56    -13.45   -2.89  O2
+  O[18O](g)       -13.26    -16.15   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -31116,23 +31106,23 @@ Calcite                                     3.56e-03
 
      R(18O)              	 1.99518e-03	        -4.9946  permil    
      R(13C)              	 1.10785e-02	        -9.0946  permil    
-     R(14C)              	 4.32422e-13	         36.774  pmc       
+     R(14C)              	 4.32425e-13	         36.774  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9961  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9961  permil    
      R(13C) CO2(aq)      	 1.09992e-02	        -16.186  permil    
-     R(14C) CO2(aq)      	 4.26250e-13	         36.249  pmc       
+     R(14C) CO2(aq)      	 4.26253e-13	         36.249  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9961  permil    
      R(13C) HCO3-        	 1.10949e-02	         -7.627  permil    
-     R(14C) HCO3-        	 4.33699e-13	         36.883  pmc       
+     R(14C) HCO3-        	 4.33702e-13	         36.883  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9961  permil    
      R(13C) CO3-2        	 1.10790e-02	        -9.0512  permil    
-     R(14C) CO3-2        	 4.32455e-13	         36.777  pmc       
+     R(14C) CO3-2        	 4.32458e-13	         36.777  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11169e-02	        -5.6615  permil    
-     R(14C) Calcite      	 4.35419e-13	         37.029  pmc       
+     R(14C) Calcite      	 4.35422e-13	         37.029  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -31142,12 +31132,12 @@ Calcite                                     3.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2464e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2645e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.745e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6209e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -31167,14 +31157,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.219      Adjusted to redox equilibrium
+                                       pe  =  11.187      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -31189,13 +31179,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.263  -124.262     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.012  -124.011     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -31204,9 +31194,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -31214,23 +31204,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.050e-08   6.060e-08    -7.218    -7.218     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.459e-40
-   H2              2.730e-40   2.734e-40   -39.564   -39.563     0.001     (0)  
-O(0)          1.113e-13
-   O2              5.545e-14   5.554e-14   -13.256   -13.255     0.001     (0)  
-   O[18O]          2.213e-16   2.216e-16   -15.655   -15.654     0.001     (0)  
+H(0)          6.308e-40
+   H2              3.154e-40   3.159e-40   -39.501   -39.500     0.001     (0)  
+O(0)          8.341e-14
+   O2              4.154e-14   4.161e-14   -13.382   -13.381     0.001     (0)  
+   O[18O]          1.657e-16   1.660e-16   -15.781   -15.780     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.221  -126.220     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.970  -125.970     0.001     (0)  
 [13C](4)      6.470e-05
    H[13C]O3-       5.219e-05   4.775e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.095e-05   1.097e-05    -4.960    -4.960     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.041e-07   9.526e-08    -6.982    -7.021    -0.039     (0)  
    H[13C]O[18O]O-   1.041e-07   9.526e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.041e-07   9.526e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.041e-07   9.526e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.050e-08   6.060e-08    -7.218    -7.218     0.001     (0)  
    [13C]O[18O]     4.555e-08   4.562e-08    -7.342    -7.341     0.001     (0)  
@@ -31239,56 +31229,56 @@ O(0)          1.113e-13
    CaH[13C]O[18O]O+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.199e-09   2.017e-09    -8.658    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.621e-10   3.627e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.077e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.077e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.077e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.077e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.077e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.858e-10   1.301e-10    -9.731    -9.886    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.633  -136.632     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.382  -136.381     0.001     (0)  
 [14C](4)      2.525e-15
    H[14C]O3-       2.040e-15   1.866e-15   -14.690   -14.729    -0.039     (0)  
    [14C]O2         4.245e-16   4.252e-16   -15.372   -15.371     0.001     (0)  
    CaH[14C]O3+     4.308e-17   3.952e-17   -16.366   -16.403    -0.037     (0)  
-   H[14C]O2[18O]-   4.070e-18   3.724e-18   -17.390   -17.429    -0.039     (0)  
-   H[14C]O[18O]O-   4.070e-18   3.724e-18   -17.390   -17.429    -0.039     (0)  
    H[14C][18O]O2-   4.070e-18   3.724e-18   -17.390   -17.429    -0.039     (0)  
-   Ca[14C]O3       2.362e-18   2.365e-18   -17.627   -17.626     0.001     (0)  
+   H[14C]O[18O]O-   4.070e-18   3.724e-18   -17.390   -17.429    -0.039     (0)  
+   H[14C]O2[18O]-   4.070e-18   3.724e-18   -17.390   -17.429    -0.039     (0)  
+   Ca[14C]O3       2.362e-18   2.366e-18   -17.627   -17.626     0.001     (0)  
    [14C]O[18O]     1.765e-18   1.768e-18   -17.753   -17.753     0.001     (0)  
    [14C]O3-2       1.211e-18   8.487e-19   -17.917   -18.071    -0.155     (0)  
    CaH[14C]O2[18O]+   8.595e-20   7.885e-20   -19.066   -19.103    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.595e-20   7.885e-20   -19.066   -19.103    -0.037     (0)  
    CaH[14C][18O]O2+   8.595e-20   7.885e-20   -19.066   -19.103    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.595e-20   7.885e-20   -19.066   -19.103    -0.037     (0)  
    Ca[14C]O2[18O]   1.414e-20   1.416e-20   -19.850   -19.849     0.001     (0)  
-   H[14C]O[18O]2-   8.121e-21   7.430e-21   -20.090   -20.129    -0.039     (0)  
    H[14C][18O]2O-   8.121e-21   7.430e-21   -20.090   -20.129    -0.039     (0)  
    H[14C][18O]O[18O]-   8.121e-21   7.430e-21   -20.090   -20.129    -0.039     (0)  
+   H[14C]O[18O]2-   8.121e-21   7.430e-21   -20.090   -20.129    -0.039     (0)  
    [14C]O2[18O]-2   7.251e-21   5.080e-21   -20.140   -20.294    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.217e-16
-   O[18O]          2.213e-16   2.216e-16   -15.655   -15.654     0.001     (0)  
-   [18O]2          2.207e-19   2.211e-19   -18.656   -18.655     0.001     (0)  
+[18O](0)      1.661e-16
+   O[18O]          1.657e-16   1.660e-16   -15.781   -15.780     0.001     (0)  
+   [18O]2          1.654e-19   1.656e-19   -18.782   -18.781     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.36   -126.22   -2.86  [13C]H4
+  [13C]H4(g)     -123.11   -125.97   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.27    -20.77   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.77   -136.63   -2.86  [14C]H4
+  [14C]H4(g)     -133.52   -136.38   -2.86  [14C]H4
   [14C]O2(g)      -13.90    -15.37   -1.47  [14C]O2
   [14C]O[18O](g)  -16.28    -18.07   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.37    -18.66   -2.29  [18O]2
+  [18O]2(g)       -16.49    -18.78   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -31302,14 +31292,14 @@ O(0)          1.113e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.40   -124.26   -2.86  CH4
+  CH4(g)         -121.15   -124.01   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.41    -39.56   -3.15  H2
+  H2(g)           -36.35    -39.50   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.36    -13.26   -2.89  O2
-  O[18O](g)       -13.06    -15.96   -2.89  O[18O]
+  O2(g)           -10.49    -13.38   -2.89  O2
+  O[18O](g)       -13.19    -16.08   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -31363,7 +31353,7 @@ Calcite                                     4.06e-03
                       Ca[13C]O[18O]2(s)     5.60e-10     6.93e-11     1.38e-07
                        Ca[13C][18O]3(s)     3.83e-13     4.74e-14     9.45e-11
                            Ca[14C]O3(s)     1.65e-15     1.26e-16     4.06e-13
-                      Ca[14C]O2[18O](s)     1.01e-17     7.78e-19     2.50e-15
+                      Ca[14C]O2[18O](s)     1.02e-17     7.78e-19     2.50e-15
                       Ca[14C]O[18O]2(s)     2.08e-20     1.60e-21     5.14e-18
                        Ca[14C][18O]3(s)     1.43e-23     1.09e-24     3.51e-21
 
@@ -31373,23 +31363,23 @@ Calcite                                     4.06e-03
 
      R(18O)              	 1.99519e-03	        -4.9944  permil    
      R(13C)              	 1.10829e-02	        -8.7063  permil    
-     R(14C)              	 4.10592e-13	         34.918  pmc       
+     R(14C)              	 4.10595e-13	         34.918  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9959  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9959  permil    
      R(13C) CO2(aq)      	 1.10035e-02	        -15.801  permil    
-     R(14C) CO2(aq)      	 4.04732e-13	         34.419  pmc       
+     R(14C) CO2(aq)      	 4.04734e-13	         34.419  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9959  permil    
      R(13C) HCO3-        	 1.10993e-02	        -7.2382  permil    
-     R(14C) HCO3-        	 4.11805e-13	         35.021  pmc       
+     R(14C) HCO3-        	 4.11807e-13	         35.021  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9959  permil    
      R(13C) CO3-2        	 1.10833e-02	        -8.6629  permil    
-     R(14C) CO3-2        	 4.10624e-13	          34.92  pmc       
+     R(14C) CO3-2        	 4.10626e-13	         34.921  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11213e-02	        -5.2719  permil    
-     R(14C) Calcite      	 4.13438e-13	          35.16  pmc       
+     R(14C) Calcite      	 4.13440e-13	          35.16  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -31399,12 +31389,12 @@ Calcite                                     4.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2669e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2532e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5905e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5379e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -31424,14 +31414,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.231      Adjusted to redox equilibrium
+                                       pe  =  11.219      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -31446,24 +31436,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.361  -124.361     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.262  -124.261     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -31471,81 +31461,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.053e-08   6.062e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.157e-40
-   H2              2.579e-40   2.583e-40   -39.589   -39.588     0.001     (0)  
-O(0)          1.248e-13
-   O2              6.213e-14   6.224e-14   -13.207   -13.206     0.001     (0)  
-   O[18O]          2.479e-16   2.483e-16   -15.606   -15.605     0.001     (0)  
+H(0)          5.462e-40
+   H2              2.731e-40   2.736e-40   -39.564   -39.563     0.001     (0)  
+O(0)          1.112e-13
+   O2              5.539e-14   5.548e-14   -13.257   -13.256     0.001     (0)  
+   O[18O]          2.210e-16   2.214e-16   -15.656   -15.655     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.320  -126.319     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.220  -126.219     0.001     (0)  
 [13C](4)      6.473e-05
    H[13C]O3-       5.221e-05   4.776e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.096e-05   1.098e-05    -4.960    -4.960     0.001     (0)  
    CaH[13C]O3+     1.102e-06   1.011e-06    -5.958    -5.995    -0.037     (0)  
    H[13C]O2[18O]-   1.042e-07   9.530e-08    -6.982    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.042e-07   9.530e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.042e-07   9.530e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.042e-07   9.530e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.053e-08   6.062e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.557e-08   4.564e-08    -7.341    -7.341     0.001     (0)  
    [13C]O3-2       3.105e-08   2.175e-08    -7.508    -7.663    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.200e-09   2.018e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.200e-09   2.018e-09    -8.658    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.200e-09   2.018e-09    -8.658    -8.695    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.200e-09   2.018e-09    -8.658    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.623e-10   3.629e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.078e-10   1.901e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.858e-10   1.302e-10    -9.731    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.754  -136.753     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.654  -136.654     0.001     (0)  
 [14C](4)      2.398e-15
-   H[14C]O3-       1.937e-15   1.772e-15   -14.713   -14.752    -0.039     (0)  
+   H[14C]O3-       1.937e-15   1.772e-15   -14.713   -14.751    -0.039     (0)  
    [14C]O2         4.031e-16   4.037e-16   -15.395   -15.394     0.001     (0)  
    CaH[14C]O3+     4.090e-17   3.752e-17   -16.388   -16.426    -0.037     (0)  
-   H[14C]O2[18O]-   3.865e-18   3.536e-18   -17.413   -17.452    -0.039     (0)  
-   H[14C]O[18O]O-   3.865e-18   3.536e-18   -17.413   -17.452    -0.039     (0)  
    H[14C][18O]O2-   3.865e-18   3.536e-18   -17.413   -17.452    -0.039     (0)  
+   H[14C]O[18O]O-   3.865e-18   3.536e-18   -17.413   -17.452    -0.039     (0)  
+   H[14C]O2[18O]-   3.865e-18   3.536e-18   -17.413   -17.452    -0.039     (0)  
    Ca[14C]O3       2.242e-18   2.246e-18   -17.649   -17.649     0.001     (0)  
    [14C]O[18O]     1.676e-18   1.679e-18   -17.776   -17.775     0.001     (0)  
    [14C]O3-2       1.150e-18   8.058e-19   -17.939   -18.094    -0.155     (0)  
    CaH[14C]O2[18O]+   8.161e-20   7.486e-20   -19.088   -19.126    -0.037     (0)  
-   CaH[14C]O[18O]O+   8.161e-20   7.486e-20   -19.088   -19.126    -0.037     (0)  
    CaH[14C][18O]O2+   8.161e-20   7.486e-20   -19.088   -19.126    -0.037     (0)  
+   CaH[14C]O[18O]O+   8.161e-20   7.486e-20   -19.088   -19.126    -0.037     (0)  
    Ca[14C]O2[18O]   1.342e-20   1.344e-20   -19.872   -19.871     0.001     (0)  
-   H[14C]O[18O]2-   7.711e-21   7.054e-21   -20.113   -20.152    -0.039     (0)  
-   H[14C][18O]2O-   7.711e-21   7.054e-21   -20.113   -20.152    -0.039     (0)  
-   H[14C][18O]O[18O]-   7.711e-21   7.054e-21   -20.113   -20.152    -0.039     (0)  
+   H[14C][18O]O[18O]-   7.711e-21   7.055e-21   -20.113   -20.152    -0.039     (0)  
+   H[14C]O[18O]2-   7.711e-21   7.055e-21   -20.113   -20.152    -0.039     (0)  
+   H[14C][18O]2O-   7.711e-21   7.055e-21   -20.113   -20.152    -0.039     (0)  
    [14C]O2[18O]-2   6.885e-21   4.823e-21   -20.162   -20.317    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.484e-16
-   O[18O]          2.479e-16   2.483e-16   -15.606   -15.605     0.001     (0)  
-   [18O]2          2.473e-19   2.477e-19   -18.607   -18.606     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.215e-16
+   O[18O]          2.210e-16   2.214e-16   -15.656   -15.655     0.001     (0)  
+   [18O]2          2.205e-19   2.209e-19   -18.657   -18.656     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.46   -126.32   -2.86  [13C]H4
+  [13C]H4(g)     -123.36   -126.22   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.29    -20.79   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.89   -136.75   -2.86  [14C]H4
+  [14C]H4(g)     -133.79   -136.65   -2.86  [14C]H4
   [14C]O2(g)      -13.93    -15.39   -1.47  [14C]O2
   [14C]O[18O](g)  -16.31    -18.09   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.32    -18.61   -2.29  [18O]2
+  [18O]2(g)       -16.37    -18.66   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.87    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.53    7.71  Ca[13C]O2[18O]
@@ -31559,14 +31549,14 @@ O(0)          1.248e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.50   -124.36   -2.86  CH4
+  CH4(g)         -121.40   -124.26   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.44    -39.59   -3.15  H2
+  H2(g)           -36.41    -39.56   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.31    -13.21   -2.89  O2
-  O[18O](g)       -13.01    -15.91   -2.89  O[18O]
+  O2(g)           -10.36    -13.26   -2.89  O2
+  O[18O](g)       -13.06    -15.96   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -31630,23 +31620,23 @@ Calcite                                     4.56e-03
 
      R(18O)              	 1.99519e-03	        -4.9943  permil    
      R(13C)              	 1.10868e-02	        -8.3553  permil    
-     R(14C)              	 3.90860e-13	          33.24  pmc       
+     R(14C)              	 3.90862e-13	          33.24  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9958  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9958  permil    
      R(13C) CO2(aq)      	 1.10074e-02	        -15.452  permil    
-     R(14C) CO2(aq)      	 3.85281e-13	         32.765  pmc       
+     R(14C) CO2(aq)      	 3.85284e-13	         32.765  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9958  permil    
      R(13C) HCO3-        	 1.11032e-02	        -6.8866  permil    
-     R(14C) HCO3-        	 3.92014e-13	         33.338  pmc       
+     R(14C) HCO3-        	 3.92017e-13	         33.338  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9958  permil    
      R(13C) CO3-2        	 1.10873e-02	        -8.3119  permil    
-     R(14C) CO3-2        	 3.90890e-13	         33.242  pmc       
+     R(14C) CO3-2        	 3.90893e-13	         33.242  pmc       
      R(18O) Calcite      	 2.05262e-03	          23.65  permil    
      R(13C) Calcite      	 1.11252e-02	        -4.9196  permil    
-     R(14C) Calcite      	 3.93569e-13	          33.47  pmc       
+     R(14C) Calcite      	 3.93571e-13	          33.47  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -31656,12 +31646,12 @@ Calcite                                     4.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2405e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1    -2.258e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    4.4409e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6779e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6883e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -31681,14 +31671,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.211      Adjusted to redox equilibrium
+                                       pe  =  11.204      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -31703,14 +31693,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.201  -124.201     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.145  -124.144     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -31718,9 +31708,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -31728,50 +31718,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.055e-08   6.065e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.655e-40
-   H2              2.828e-40   2.832e-40   -39.549   -39.548     0.001     (0)  
-O(0)          1.038e-13
-   O2              5.167e-14   5.176e-14   -13.287   -13.286     0.001     (0)  
-   O[18O]          2.062e-16   2.065e-16   -15.686   -15.685     0.001     (0)  
+H(0)          5.841e-40
+   H2              2.920e-40   2.925e-40   -39.535   -39.534     0.001     (0)  
+O(0)          9.726e-14
+   O2              4.844e-14   4.852e-14   -13.315   -13.314     0.001     (0)  
+   O[18O]          1.933e-16   1.936e-16   -15.714   -15.713     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.160  -126.159     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.103  -126.103     0.001     (0)  
 [13C](4)      6.475e-05
    H[13C]O3-       5.223e-05   4.778e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.096e-05   1.098e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.042e-07   9.533e-08    -6.982    -7.021    -0.039     (0)  
-   H[13C]O[18O]O-   1.042e-07   9.533e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.042e-07   9.533e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O[18O]O-   1.042e-07   9.533e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.042e-07   9.533e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.055e-08   6.065e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.558e-08   4.566e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.106e-08   2.176e-08    -7.508    -7.662    -0.155     (0)  
+   CaH[13C][18O]O2+   2.200e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O2[18O]+   2.200e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.200e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
-   CaH[13C][18O]O2+   2.200e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.624e-10   3.630e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.079e-10   1.902e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.859e-10   1.302e-10    -9.731    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.615  -136.615     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.559  -136.559     0.001     (0)  
 [14C](4)      2.283e-15
    H[14C]O3-       1.844e-15   1.687e-15   -14.734   -14.773    -0.039     (0)  
    [14C]O2         3.837e-16   3.843e-16   -15.416   -15.415     0.001     (0)  
    CaH[14C]O3+     3.894e-17   3.572e-17   -16.410   -16.447    -0.037     (0)  
-   H[14C]O2[18O]-   3.679e-18   3.366e-18   -17.434   -17.473    -0.039     (0)  
-   H[14C]O[18O]O-   3.679e-18   3.366e-18   -17.434   -17.473    -0.039     (0)  
    H[14C][18O]O2-   3.679e-18   3.366e-18   -17.434   -17.473    -0.039     (0)  
+   H[14C]O[18O]O-   3.679e-18   3.366e-18   -17.434   -17.473    -0.039     (0)  
+   H[14C]O2[18O]-   3.679e-18   3.366e-18   -17.434   -17.473    -0.039     (0)  
    Ca[14C]O3       2.135e-18   2.138e-18   -17.671   -17.670     0.001     (0)  
    [14C]O[18O]     1.595e-18   1.598e-18   -17.797   -17.796     0.001     (0)  
    [14C]O3-2       1.095e-18   7.671e-19   -17.961   -18.115    -0.155     (0)  
    CaH[14C]O2[18O]+   7.769e-20   7.127e-20   -19.110   -19.147    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.769e-20   7.127e-20   -19.110   -19.147    -0.037     (0)  
    CaH[14C][18O]O2+   7.769e-20   7.127e-20   -19.110   -19.147    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.769e-20   7.127e-20   -19.110   -19.147    -0.037     (0)  
    Ca[14C]O2[18O]   1.278e-20   1.280e-20   -19.894   -19.893     0.001     (0)  
    H[14C]O[18O]2-   7.340e-21   6.715e-21   -20.134   -20.173    -0.039     (0)  
    H[14C][18O]2O-   7.340e-21   6.715e-21   -20.134   -20.173    -0.039     (0)  
@@ -31780,29 +31770,29 @@ O(0)          1.038e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.066e-16
-   O[18O]          2.062e-16   2.065e-16   -15.686   -15.685     0.001     (0)  
-   [18O]2          2.057e-19   2.060e-19   -18.687   -18.686     0.001     (0)  
+[18O](0)      1.937e-16
+   O[18O]          1.933e-16   1.936e-16   -15.714   -15.713     0.001     (0)  
+   [18O]2          1.928e-19   1.931e-19   -18.715   -18.714     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.30   -126.16   -2.86  [13C]H4
+  [13C]H4(g)     -123.24   -126.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.31    -20.82   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.75   -136.61   -2.86  [14C]H4
+  [14C]H4(g)     -133.70   -136.56   -2.86  [14C]H4
   [14C]O2(g)      -13.95    -15.42   -1.47  [14C]O2
   [14C]O[18O](g)  -16.33    -18.12   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.40    -18.69   -2.29  [18O]2
+  [18O]2(g)       -16.42    -18.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -31816,14 +31806,14 @@ O(0)          1.038e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.34   -124.20   -2.86  CH4
+  CH4(g)         -121.28   -124.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.40    -39.55   -3.15  H2
+  H2(g)           -36.38    -39.53   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.39    -13.29   -2.89  O2
-  O[18O](g)       -13.09    -15.99   -2.89  O[18O]
+  O2(g)           -10.42    -13.31   -2.89  O2
+  O[18O](g)       -13.12    -16.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -31887,23 +31877,23 @@ Calcite                                     5.06e-03
 
      R(18O)              	 1.99519e-03	        -4.9941  permil    
      R(13C)              	 1.10904e-02	        -8.0364  permil    
-     R(14C)              	 3.72937e-13	         31.715  pmc       
+     R(14C)              	 3.72940e-13	         31.716  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9957  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9957  permil    
      R(13C) CO2(aq)      	 1.10110e-02	        -15.135  permil    
-     R(14C) CO2(aq)      	 3.67615e-13	         31.263  pmc       
+     R(14C) CO2(aq)      	 3.67617e-13	         31.263  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9957  permil    
      R(13C) HCO3-        	 1.11068e-02	        -6.5673  permil    
-     R(14C) HCO3-        	 3.74039e-13	         31.809  pmc       
+     R(14C) HCO3-        	 3.74041e-13	         31.809  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9957  permil    
      R(13C) CO3-2        	 1.10908e-02	         -7.993  permil    
-     R(14C) CO3-2        	 3.72966e-13	         31.718  pmc       
+     R(14C) CO3-2        	 3.72969e-13	         31.718  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.651  permil    
      R(13C) Calcite      	 1.11288e-02	        -4.5996  permil    
-     R(14C) Calcite      	 3.75522e-13	         31.935  pmc       
+     R(14C) Calcite      	 3.75525e-13	         31.935  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -31913,12 +31903,12 @@ Calcite                                     5.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2669e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2523e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6164e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6979e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -31938,14 +31928,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.217      Adjusted to redox equilibrium
+                                       pe  =  11.175      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -31960,24 +31950,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.249  -124.249     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.915  -123.914     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -31985,23 +31975,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.057e-08   6.067e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.500e-40
-   H2              2.750e-40   2.755e-40   -39.561   -39.560     0.001     (0)  
-O(0)          1.097e-13
-   O2              5.462e-14   5.471e-14   -13.263   -13.262     0.001     (0)  
-   O[18O]          2.180e-16   2.183e-16   -15.662   -15.661     0.001     (0)  
+H(0)          6.668e-40
+   H2              3.334e-40   3.339e-40   -39.477   -39.476     0.001     (0)  
+O(0)          7.464e-14
+   O2              3.717e-14   3.723e-14   -13.430   -13.429     0.001     (0)  
+   O[18O]          1.483e-16   1.486e-16   -15.829   -15.828     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.208  -126.207     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.873  -125.873     0.001     (0)  
 [13C](4)      6.477e-05
    H[13C]O3-       5.224e-05   4.780e-05    -4.282    -4.321    -0.039     (0)  
    [13C]O2         1.097e-05   1.098e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.103e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.042e-07   9.536e-08    -6.982    -7.021    -0.039     (0)  
    H[13C]O[18O]O-   1.042e-07   9.536e-08    -6.982    -7.021    -0.039     (0)  
+   H[13C]O2[18O]-   1.042e-07   9.536e-08    -6.982    -7.021    -0.039     (0)  
    H[13C][18O]O2-   1.042e-07   9.536e-08    -6.982    -7.021    -0.039     (0)  
    Ca[13C]O3       6.057e-08   6.067e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.560e-08   4.567e-08    -7.341    -7.340     0.001     (0)  
@@ -32010,56 +32000,56 @@ O(0)          1.097e-13
    CaH[13C]O[18O]O+   2.201e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.201e-09   2.019e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.625e-10   3.631e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.860e-10   1.303e-10    -9.731    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.684  -136.683     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.350  -136.349     0.001     (0)  
 [14C](4)      2.178e-15
    H[14C]O3-       1.759e-15   1.610e-15   -14.755   -14.793    -0.039     (0)  
    [14C]O2         3.661e-16   3.667e-16   -15.436   -15.436     0.001     (0)  
    CaH[14C]O3+     3.715e-17   3.408e-17   -16.430   -16.467    -0.037     (0)  
-   H[14C]O2[18O]-   3.510e-18   3.211e-18   -17.455   -17.493    -0.039     (0)  
-   H[14C]O[18O]O-   3.510e-18   3.211e-18   -17.455   -17.493    -0.039     (0)  
    H[14C][18O]O2-   3.510e-18   3.211e-18   -17.455   -17.493    -0.039     (0)  
+   H[14C]O[18O]O-   3.510e-18   3.211e-18   -17.455   -17.493    -0.039     (0)  
+   H[14C]O2[18O]-   3.510e-18   3.211e-18   -17.455   -17.493    -0.039     (0)  
    Ca[14C]O3       2.037e-18   2.040e-18   -17.691   -17.690     0.001     (0)  
    [14C]O[18O]     1.522e-18   1.525e-18   -17.817   -17.817     0.001     (0)  
    [14C]O3-2       1.045e-18   7.319e-19   -17.981   -18.136    -0.155     (0)  
-   CaH[14C]O2[18O]+   7.413e-20   6.800e-20   -19.130   -19.168    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.413e-20   6.800e-20   -19.130   -19.168    -0.037     (0)  
-   CaH[14C][18O]O2+   7.413e-20   6.800e-20   -19.130   -19.168    -0.037     (0)  
+   CaH[14C]O2[18O]+   7.413e-20   6.800e-20   -19.130   -19.167    -0.037     (0)  
+   CaH[14C][18O]O2+   7.413e-20   6.800e-20   -19.130   -19.167    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.413e-20   6.800e-20   -19.130   -19.167    -0.037     (0)  
    Ca[14C]O2[18O]   1.219e-20   1.221e-20   -19.914   -19.913     0.001     (0)  
-   H[14C]O[18O]2-   7.004e-21   6.407e-21   -20.155   -20.193    -0.039     (0)  
-   H[14C][18O]2O-   7.004e-21   6.407e-21   -20.155   -20.193    -0.039     (0)  
-   H[14C][18O]O[18O]-   7.004e-21   6.407e-21   -20.155   -20.193    -0.039     (0)  
+   H[14C][18O]2O-   7.004e-21   6.408e-21   -20.155   -20.193    -0.039     (0)  
+   H[14C][18O]O[18O]-   7.004e-21   6.408e-21   -20.155   -20.193    -0.039     (0)  
+   H[14C]O[18O]2-   7.004e-21   6.408e-21   -20.155   -20.193    -0.039     (0)  
    [14C]O2[18O]-2   6.254e-21   4.381e-21   -20.204   -20.358    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.184e-16
-   O[18O]          2.180e-16   2.183e-16   -15.662   -15.661     0.001     (0)  
-   [18O]2          2.174e-19   2.178e-19   -18.663   -18.662     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.486e-16
+   O[18O]          1.483e-16   1.486e-16   -15.829   -15.828     0.001     (0)  
+   [18O]2          1.480e-19   1.482e-19   -18.830   -18.829     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.35   -126.21   -2.86  [13C]H4
+  [13C]H4(g)     -123.01   -125.87   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.33    -20.84   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.82   -136.68   -2.86  [14C]H4
+  [14C]H4(g)     -133.49   -136.35   -2.86  [14C]H4
   [14C]O2(g)      -13.97    -15.44   -1.47  [14C]O2
   [14C]O[18O](g)  -16.35    -18.14   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.37    -18.66   -2.29  [18O]2
+  [18O]2(g)       -16.54    -18.83   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -32073,14 +32063,14 @@ O(0)          1.097e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.39   -124.25   -2.86  CH4
+  CH4(g)         -121.05   -123.91   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.41    -39.56   -3.15  H2
+  H2(g)           -36.33    -39.48   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.37    -13.26   -2.89  O2
-  O[18O](g)       -13.07    -15.96   -2.89  O[18O]
+  O2(g)           -10.54    -13.43   -2.89  O2
+  O[18O](g)       -13.24    -16.13   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -32144,23 +32134,23 @@ Calcite                                     5.56e-03
 
      R(18O)              	 1.99519e-03	         -4.994  permil    
      R(13C)              	 1.10936e-02	        -7.7455  permil    
-     R(14C)              	 3.56587e-13	         30.325  pmc       
+     R(14C)              	 3.56589e-13	         30.325  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9955  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9955  permil    
      R(13C) CO2(aq)      	 1.10142e-02	        -14.847  permil    
-     R(14C) CO2(aq)      	 3.51497e-13	         29.892  pmc       
+     R(14C) CO2(aq)      	 3.51499e-13	         29.892  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9955  permil    
      R(13C) HCO3-        	 1.11100e-02	        -6.2759  permil    
-     R(14C) HCO3-        	 3.57640e-13	         30.414  pmc       
+     R(14C) HCO3-        	 3.57642e-13	         30.415  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9955  permil    
      R(13C) CO3-2        	 1.10941e-02	         -7.702  permil    
-     R(14C) CO3-2        	 3.56614e-13	         30.327  pmc       
+     R(14C) CO3-2        	 3.56616e-13	         30.327  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.651  permil    
      R(13C) Calcite      	 1.11320e-02	        -4.3077  permil    
-     R(14C) Calcite      	 3.59058e-13	         30.535  pmc       
+     R(14C) Calcite      	 3.59060e-13	         30.535  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -32170,12 +32160,12 @@ Calcite                                     5.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2466e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2647e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6591e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6028e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -32195,14 +32185,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.241      Adjusted to redox equilibrium
+                                       pe  =  11.216      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -32217,14 +32207,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.437  -124.436     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.238  -124.237     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -32232,9 +32222,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -32242,81 +32232,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.058e-08   6.068e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.937e-40
-   H2              2.468e-40   2.473e-40   -39.608   -39.607     0.001     (0)  
-O(0)          1.361e-13
-   O2              6.780e-14   6.791e-14   -13.169   -13.168     0.001     (0)  
-   O[18O]          2.706e-16   2.710e-16   -15.568   -15.567     0.001     (0)  
+H(0)          5.538e-40
+   H2              2.769e-40   2.774e-40   -39.558   -39.557     0.001     (0)  
+O(0)          1.082e-13
+   O2              5.388e-14   5.397e-14   -13.269   -13.268     0.001     (0)  
+   O[18O]          2.150e-16   2.154e-16   -15.668   -15.667     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.395  -126.395     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.196  -126.195     0.001     (0)  
 [13C](4)      6.479e-05
    H[13C]O3-       5.226e-05   4.781e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.097e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.012e-06    -5.957    -5.995    -0.037     (0)  
    H[13C]O2[18O]-   1.043e-07   9.539e-08    -6.982    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.043e-07   9.539e-08    -6.982    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.539e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.043e-07   9.539e-08    -6.982    -7.020    -0.039     (0)  
    Ca[13C]O3       6.058e-08   6.068e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.561e-08   4.569e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.108e-08   2.177e-08    -7.508    -7.662    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C][18O]O2+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.626e-10   3.632e-10    -9.441    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
-   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    H[13C][18O]O[18O]-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C][18O]2O-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
+   H[13C]O[18O]2-   2.080e-10   1.903e-10    -9.682    -9.721    -0.039     (0)  
    [13C]O2[18O]-2   1.860e-10   1.303e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.891  -136.891     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.692  -136.691     0.001     (0)  
 [14C](4)      2.083e-15
    H[14C]O3-       1.682e-15   1.539e-15   -14.774   -14.813    -0.039     (0)  
    [14C]O2         3.500e-16   3.506e-16   -15.456   -15.455     0.001     (0)  
    CaH[14C]O3+     3.552e-17   3.259e-17   -16.449   -16.487    -0.037     (0)  
-   H[14C]O2[18O]-   3.356e-18   3.071e-18   -17.474   -17.513    -0.039     (0)  
-   H[14C]O[18O]O-   3.356e-18   3.071e-18   -17.474   -17.513    -0.039     (0)  
    H[14C][18O]O2-   3.356e-18   3.071e-18   -17.474   -17.513    -0.039     (0)  
+   H[14C]O[18O]O-   3.356e-18   3.071e-18   -17.474   -17.513    -0.039     (0)  
+   H[14C]O2[18O]-   3.356e-18   3.071e-18   -17.474   -17.513    -0.039     (0)  
    Ca[14C]O3       1.947e-18   1.951e-18   -17.711   -17.710     0.001     (0)  
    [14C]O[18O]     1.456e-18   1.458e-18   -17.837   -17.836     0.001     (0)  
    [14C]O3-2       9.990e-19   6.998e-19   -18.000   -18.155    -0.155     (0)  
-   CaH[14C]O2[18O]+   7.088e-20   6.502e-20   -19.150   -19.187    -0.037     (0)  
-   CaH[14C]O[18O]O+   7.088e-20   6.502e-20   -19.150   -19.187    -0.037     (0)  
-   CaH[14C][18O]O2+   7.088e-20   6.502e-20   -19.150   -19.187    -0.037     (0)  
+   CaH[14C]O2[18O]+   7.088e-20   6.502e-20   -19.149   -19.187    -0.037     (0)  
+   CaH[14C][18O]O2+   7.088e-20   6.502e-20   -19.149   -19.187    -0.037     (0)  
+   CaH[14C]O[18O]O+   7.088e-20   6.502e-20   -19.149   -19.187    -0.037     (0)  
    Ca[14C]O2[18O]   1.166e-20   1.168e-20   -19.933   -19.933     0.001     (0)  
+   H[14C][18O]O[18O]-   6.697e-21   6.127e-21   -20.174   -20.213    -0.039     (0)  
    H[14C]O[18O]2-   6.697e-21   6.127e-21   -20.174   -20.213    -0.039     (0)  
    H[14C][18O]2O-   6.697e-21   6.127e-21   -20.174   -20.213    -0.039     (0)  
-   H[14C][18O]O[18O]-   6.697e-21   6.127e-21   -20.174   -20.213    -0.039     (0)  
    [14C]O2[18O]-2   5.980e-21   4.189e-21   -20.223   -20.378    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.711e-16
-   O[18O]          2.706e-16   2.710e-16   -15.568   -15.567     0.001     (0)  
-   [18O]2          2.699e-19   2.703e-19   -18.569   -18.568     0.001     (0)  
+[18O](0)      2.154e-16
+   O[18O]          2.150e-16   2.154e-16   -15.668   -15.667     0.001     (0)  
+   [18O]2          2.145e-19   2.149e-19   -18.669   -18.668     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.53   -126.39   -2.86  [13C]H4
+  [13C]H4(g)     -123.33   -126.19   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.35    -20.86   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.03   -136.89   -2.86  [14C]H4
+  [14C]H4(g)     -133.83   -136.69   -2.86  [14C]H4
   [14C]O2(g)      -13.99    -15.46   -1.47  [14C]O2
   [14C]O[18O](g)  -16.37    -18.16   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.28    -18.57   -2.29  [18O]2
+  [18O]2(g)       -16.38    -18.67   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -32330,14 +32320,14 @@ O(0)          1.361e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.58   -124.44   -2.86  CH4
+  CH4(g)         -121.38   -124.24   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.46    -39.61   -3.15  H2
+  H2(g)           -36.41    -39.56   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.28    -13.17   -2.89  O2
-  O[18O](g)       -12.98    -15.87   -2.89  O[18O]
+  O2(g)           -10.38    -13.27   -2.89  O2
+  O[18O](g)       -13.08    -15.97   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -32401,23 +32391,23 @@ Calcite                                     6.06e-03
 
      R(18O)              	 1.99519e-03	        -4.9939  permil    
      R(13C)              	 1.10966e-02	        -7.4789  permil    
-     R(14C)              	 3.41609e-13	         29.051  pmc       
+     R(14C)              	 3.41611e-13	         29.051  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9954  permil    
      R(18O) OH-          	 1.92122e-03	        -41.883  permil    
      R(18O) H3O+         	 2.04132e-03	         18.012  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9954  permil    
      R(13C) CO2(aq)      	 1.10172e-02	        -14.582  permil    
-     R(14C) CO2(aq)      	 3.36734e-13	         28.637  pmc       
+     R(14C) CO2(aq)      	 3.36736e-13	         28.637  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.878  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9954  permil    
      R(13C) HCO3-        	 1.11130e-02	        -6.0089  permil    
-     R(14C) HCO3-        	 3.42618e-13	         29.137  pmc       
+     R(14C) HCO3-        	 3.42620e-13	         29.137  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9954  permil    
      R(13C) CO3-2        	 1.10971e-02	        -7.4354  permil    
-     R(14C) CO3-2        	 3.41636e-13	         29.053  pmc       
+     R(14C) CO3-2        	 3.41638e-13	         29.054  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.651  permil    
      R(13C) Calcite      	 1.11350e-02	        -4.0402  permil    
-     R(14C) Calcite      	 3.43977e-13	         29.253  pmc       
+     R(14C) Calcite      	 3.43979e-13	         29.253  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -32427,12 +32417,12 @@ Calcite                                     6.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2469e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2666e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7744e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5854e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -32452,14 +32442,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.269      Adjusted to redox equilibrium
+                                       pe  =  11.206      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -32474,24 +32464,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.661  -124.661     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.156  -124.156     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.959e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -32499,50 +32489,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.995    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.060e-08   6.070e-08    -7.218    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.339e-40
-   H2              2.170e-40   2.173e-40   -39.664   -39.663     0.001     (0)  
-O(0)          1.762e-13
-   O2              8.777e-14   8.792e-14   -13.057   -13.056     0.001     (0)  
-   O[18O]          3.502e-16   3.508e-16   -15.456   -15.455     0.001     (0)  
+H(0)          5.803e-40
+   H2              2.901e-40   2.906e-40   -39.537   -39.537     0.001     (0)  
+O(0)          9.854e-14
+   O2              4.907e-14   4.916e-14   -13.309   -13.308     0.001     (0)  
+   O[18O]          1.958e-16   1.961e-16   -15.708   -15.707     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.619  -126.619     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.114  -126.114     0.001     (0)  
 [13C](4)      6.481e-05
    H[13C]O3-       5.227e-05   4.782e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.097e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.995    -0.037     (0)  
-   H[13C]O2[18O]-   1.043e-07   9.541e-08    -6.982    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.043e-07   9.541e-08    -6.982    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.541e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.043e-07   9.541e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.043e-07   9.541e-08    -6.982    -7.020    -0.039     (0)  
    Ca[13C]O3       6.060e-08   6.070e-08    -7.218    -7.217     0.001     (0)  
    [13C]O[18O]     4.562e-08   4.570e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.109e-08   2.178e-08    -7.507    -7.662    -0.155     (0)  
+   CaH[13C][18O]O2+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O2[18O]+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    CaH[13C]O[18O]O+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
-   CaH[13C][18O]O2+   2.202e-09   2.020e-09    -8.657    -8.695    -0.037     (0)  
    Ca[13C]O2[18O]   3.627e-10   3.633e-10    -9.440    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.861e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.134  -137.133     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.629  -136.628     0.001     (0)  
 [14C](4)      1.995e-15
    H[14C]O3-       1.612e-15   1.474e-15   -14.793   -14.831    -0.039     (0)  
    [14C]O2         3.353e-16   3.359e-16   -15.475   -15.474     0.001     (0)  
    CaH[14C]O3+     3.403e-17   3.122e-17   -16.468   -16.506    -0.037     (0)  
-   H[14C]O2[18O]-   3.215e-18   2.942e-18   -17.493   -17.531    -0.039     (0)  
-   H[14C]O[18O]O-   3.215e-18   2.942e-18   -17.493   -17.531    -0.039     (0)  
    H[14C][18O]O2-   3.215e-18   2.942e-18   -17.493   -17.531    -0.039     (0)  
+   H[14C]O[18O]O-   3.215e-18   2.942e-18   -17.493   -17.531    -0.039     (0)  
+   H[14C]O2[18O]-   3.215e-18   2.942e-18   -17.493   -17.531    -0.039     (0)  
    Ca[14C]O3       1.866e-18   1.869e-18   -17.729   -17.728     0.001     (0)  
    [14C]O[18O]     1.394e-18   1.397e-18   -17.856   -17.855     0.001     (0)  
    [14C]O3-2       9.570e-19   6.704e-19   -18.019   -18.174    -0.155     (0)  
    CaH[14C]O2[18O]+   6.790e-20   6.229e-20   -19.168   -19.206    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.790e-20   6.229e-20   -19.168   -19.206    -0.037     (0)  
    CaH[14C][18O]O2+   6.790e-20   6.229e-20   -19.168   -19.206    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.790e-20   6.229e-20   -19.168   -19.206    -0.037     (0)  
    Ca[14C]O2[18O]   1.117e-20   1.119e-20   -19.952   -19.951     0.001     (0)  
    H[14C]O[18O]2-   6.415e-21   5.869e-21   -20.193   -20.231    -0.039     (0)  
    H[14C][18O]2O-   6.415e-21   5.869e-21   -20.193   -20.231    -0.039     (0)  
@@ -32551,29 +32541,29 @@ O(0)          1.762e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.509e-16
-   O[18O]          3.502e-16   3.508e-16   -15.456   -15.455     0.001     (0)  
-   [18O]2          3.494e-19   3.500e-19   -18.457   -18.456     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.962e-16
+   O[18O]          1.958e-16   1.961e-16   -15.708   -15.707     0.001     (0)  
+   [18O]2          1.954e-19   1.957e-19   -18.709   -18.708     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.76   -126.62   -2.86  [13C]H4
+  [13C]H4(g)     -123.25   -126.11   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.37    -20.87   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.27   -137.13   -2.86  [14C]H4
+  [14C]H4(g)     -133.77   -136.63   -2.86  [14C]H4
   [14C]O2(g)      -14.01    -15.47   -1.47  [14C]O2
   [14C]O[18O](g)  -16.39    -18.17   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.17    -18.46   -2.29  [18O]2
+  [18O]2(g)       -16.42    -18.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -32587,14 +32577,14 @@ O(0)          1.762e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.80   -124.66   -2.86  CH4
+  CH4(g)         -121.30   -124.16   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.51    -39.66   -3.15  H2
+  H2(g)           -36.39    -39.54   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.16    -13.06   -2.89  O2
-  O[18O](g)       -12.86    -15.76   -2.89  O[18O]
+  O2(g)           -10.42    -13.31   -2.89  O2
+  O[18O](g)       -13.12    -16.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -32658,23 +32648,23 @@ Calcite                                     6.56e-03
 
      R(18O)              	 1.99519e-03	        -4.9937  permil    
      R(13C)              	 1.10993e-02	        -7.2338  permil    
-     R(14C)              	 3.27839e-13	          27.88  pmc       
+     R(14C)              	 3.27841e-13	          27.88  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9952  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9952  permil    
      R(13C) CO2(aq)      	 1.10199e-02	        -14.339  permil    
-     R(14C) CO2(aq)      	 3.23160e-13	         27.482  pmc       
+     R(14C) CO2(aq)      	 3.23162e-13	         27.482  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9952  permil    
      R(13C) HCO3-        	 1.11158e-02	        -5.7634  permil    
-     R(14C) HCO3-        	 3.28808e-13	         27.963  pmc       
+     R(14C) HCO3-        	 3.28810e-13	         27.963  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9952  permil    
      R(13C) CO3-2        	 1.10998e-02	        -7.1903  permil    
-     R(14C) CO3-2        	 3.27865e-13	         27.882  pmc       
+     R(14C) CO3-2        	 3.27867e-13	         27.882  pmc       
      R(18O) Calcite      	 2.05262e-03	         23.651  permil    
      R(13C) Calcite      	 1.11378e-02	        -3.7942  permil    
-     R(14C) Calcite      	 3.30111e-13	         28.073  pmc       
+     R(14C) Calcite      	 3.30114e-13	         28.074  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -32684,12 +32674,12 @@ Calcite                                     6.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2711e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2251e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.4409e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.6605e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.8168e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6954e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -32709,14 +32699,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.264      Adjusted to redox equilibrium
+                                       pe  =  11.226      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -32731,13 +32721,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.621  -124.621     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.321  -124.321     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -32746,9 +32736,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -32756,23 +32746,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.061e-08   6.071e-08    -7.217    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.440e-40
-   H2              2.220e-40   2.224e-40   -39.654   -39.653     0.001     (0)  
-O(0)          1.683e-13
-   O2              8.381e-14   8.395e-14   -13.077   -13.076     0.001     (0)  
-   O[18O]          3.344e-16   3.350e-16   -15.476   -15.475     0.001     (0)  
+H(0)          5.277e-40
+   H2              2.638e-40   2.643e-40   -39.579   -39.578     0.001     (0)  
+O(0)          1.192e-13
+   O2              5.935e-14   5.944e-14   -13.227   -13.226     0.001     (0)  
+   O[18O]          2.368e-16   2.372e-16   -15.626   -15.625     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.579  -126.578     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.279  -126.279     0.001     (0)  
 [13C](4)      6.482e-05
    H[13C]O3-       5.229e-05   4.783e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.097e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.544e-08    -6.982    -7.020    -0.039     (0)  
    Ca[13C]O3       6.061e-08   6.071e-08    -7.217    -7.217     0.001     (0)  
    [13C]O[18O]     4.563e-08   4.571e-08    -7.341    -7.340     0.001     (0)  
@@ -32781,56 +32771,56 @@ O(0)          1.683e-13
    CaH[13C]O[18O]O+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.628e-10   3.634e-10    -9.440    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.081e-10   1.904e-10    -9.682    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.861e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.112  -137.111     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.812  -136.811     0.001     (0)  
 [14C](4)      1.915e-15
    H[14C]O3-       1.547e-15   1.415e-15   -14.811   -14.849    -0.039     (0)  
-   [14C]O2         3.218e-16   3.223e-16   -15.492   -15.492     0.001     (0)  
+   [14C]O2         3.218e-16   3.224e-16   -15.492   -15.492     0.001     (0)  
    CaH[14C]O3+     3.266e-17   2.996e-17   -16.486   -16.523    -0.037     (0)  
-   H[14C]O2[18O]-   3.086e-18   2.823e-18   -17.511   -17.549    -0.039     (0)  
-   H[14C]O[18O]O-   3.086e-18   2.823e-18   -17.511   -17.549    -0.039     (0)  
    H[14C][18O]O2-   3.086e-18   2.823e-18   -17.511   -17.549    -0.039     (0)  
+   H[14C]O[18O]O-   3.086e-18   2.823e-18   -17.511   -17.549    -0.039     (0)  
+   H[14C]O2[18O]-   3.086e-18   2.823e-18   -17.511   -17.549    -0.039     (0)  
    Ca[14C]O3       1.790e-18   1.793e-18   -17.747   -17.746     0.001     (0)  
    [14C]O[18O]     1.338e-18   1.340e-18   -17.873   -17.873     0.001     (0)  
    [14C]O3-2       9.185e-19   6.434e-19   -18.037   -18.192    -0.155     (0)  
-   CaH[14C]O2[18O]+   6.516e-20   5.977e-20   -19.186   -19.223    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.516e-20   5.977e-20   -19.186   -19.223    -0.037     (0)  
-   CaH[14C][18O]O2+   6.516e-20   5.977e-20   -19.186   -19.223    -0.037     (0)  
+   CaH[14C]O2[18O]+   6.516e-20   5.978e-20   -19.186   -19.223    -0.037     (0)  
+   CaH[14C][18O]O2+   6.516e-20   5.978e-20   -19.186   -19.223    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.516e-20   5.978e-20   -19.186   -19.223    -0.037     (0)  
    Ca[14C]O2[18O]   1.072e-20   1.073e-20   -19.970   -19.969     0.001     (0)  
-   H[14C]O[18O]2-   6.157e-21   5.633e-21   -20.211   -20.249    -0.039     (0)  
    H[14C][18O]2O-   6.157e-21   5.633e-21   -20.211   -20.249    -0.039     (0)  
    H[14C][18O]O[18O]-   6.157e-21   5.633e-21   -20.211   -20.249    -0.039     (0)  
+   H[14C]O[18O]2-   6.157e-21   5.633e-21   -20.211   -20.249    -0.039     (0)  
    [14C]O2[18O]-2   5.497e-21   3.851e-21   -20.260   -20.414    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.351e-16
-   O[18O]          3.344e-16   3.350e-16   -15.476   -15.475     0.001     (0)  
-   [18O]2          3.336e-19   3.342e-19   -18.477   -18.476     0.001     (0)  
+[18O](0)      2.373e-16
+   O[18O]          2.368e-16   2.372e-16   -15.626   -15.625     0.001     (0)  
+   [18O]2          2.362e-19   2.366e-19   -18.627   -18.626     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.72   -126.58   -2.86  [13C]H4
+  [13C]H4(g)     -123.42   -126.28   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.39    -20.89   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.25   -137.11   -2.86  [14C]H4
+  [14C]H4(g)     -133.95   -136.81   -2.86  [14C]H4
   [14C]O2(g)      -14.02    -15.49   -1.47  [14C]O2
   [14C]O[18O](g)  -16.40    -18.19   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
+  [18O]2(g)       -16.34    -18.63   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -32844,14 +32834,14 @@ O(0)          1.683e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.76   -124.62   -2.86  CH4
+  CH4(g)         -121.46   -124.32   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.50    -39.65   -3.15  H2
+  H2(g)           -36.43    -39.58   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.18    -13.08   -2.89  O2
-  O[18O](g)       -12.88    -15.78   -2.89  O[18O]
+  O2(g)           -10.33    -13.23   -2.89  O2
+  O[18O](g)       -13.03    -15.93   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -32915,23 +32905,23 @@ Calcite                                     7.06e-03
 
      R(18O)              	 1.99519e-03	        -4.9936  permil    
      R(13C)              	 1.11019e-02	        -7.0076  permil    
-     R(14C)              	 3.15136e-13	           26.8  pmc       
+     R(14C)              	 3.15138e-13	           26.8  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9951  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9951  permil    
      R(13C) CO2(aq)      	 1.10224e-02	        -14.114  permil    
-     R(14C) CO2(aq)      	 3.10639e-13	         26.417  pmc       
+     R(14C) CO2(aq)      	 3.10641e-13	         26.418  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9951  permil    
      R(13C) HCO3-        	 1.11183e-02	         -5.537  permil    
-     R(14C) HCO3-        	 3.16067e-13	         26.879  pmc       
+     R(14C) HCO3-        	 3.16069e-13	         26.879  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9951  permil    
      R(13C) CO3-2        	 1.11023e-02	        -6.9641  permil    
-     R(14C) CO3-2        	 3.15161e-13	         26.802  pmc       
+     R(14C) CO3-2        	 3.15163e-13	         26.802  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.651  permil    
      R(13C) Calcite      	 1.11403e-02	        -3.5673  permil    
-     R(14C) Calcite      	 3.17321e-13	         26.986  pmc       
+     R(14C) Calcite      	 3.17323e-13	         26.986  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -32941,12 +32931,12 @@ Calcite                                     7.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2721e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7503e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6972e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -32966,14 +32956,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.294      Adjusted to redox equilibrium
+                                       pe  =  11.242      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -32988,24 +32978,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.863  -124.862     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.445  -124.445     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -33013,81 +33003,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.063e-08   6.073e-08    -7.217    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.864e-40
-   H2              1.932e-40   1.935e-40   -39.714   -39.713     0.001     (0)  
-O(0)          2.223e-13
-   O2              1.107e-13   1.109e-13   -12.956   -12.955     0.001     (0)  
-   O[18O]          4.417e-16   4.424e-16   -15.355   -15.354     0.001     (0)  
+H(0)          4.914e-40
+   H2              2.457e-40   2.461e-40   -39.610   -39.609     0.001     (0)  
+O(0)          1.374e-13
+   O2              6.844e-14   6.856e-14   -13.165   -13.164     0.001     (0)  
+   O[18O]          2.731e-16   2.736e-16   -15.564   -15.563     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.821  -126.820     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.403  -126.402     0.001     (0)  
 [13C](4)      6.484e-05
    H[13C]O3-       5.230e-05   4.785e-05    -4.282    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.099e-05    -4.960    -4.959     0.001     (0)  
    CaH[13C]O3+     1.104e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.043e-07   9.546e-08    -6.982    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.043e-07   9.546e-08    -6.982    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.043e-07   9.546e-08    -6.982    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.043e-07   9.546e-08    -6.982    -7.020    -0.039     (0)  
    Ca[13C]O3       6.063e-08   6.073e-08    -7.217    -7.217     0.001     (0)  
    [13C]O[18O]     4.564e-08   4.572e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.110e-08   2.179e-08    -7.507    -7.662    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.203e-09   2.021e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.629e-10   3.635e-10    -9.440    -9.440     0.001     (0)  
-   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.682    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.682    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.082e-10   1.905e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.682    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.682    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.862e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.371  -137.370     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.953  -136.952     0.001     (0)  
 [14C](4)      1.840e-15
    H[14C]O3-       1.487e-15   1.360e-15   -14.828   -14.866    -0.039     (0)  
-   [14C]O2         3.093e-16   3.099e-16   -15.510   -15.509     0.001     (0)  
+   [14C]O2         3.094e-16   3.099e-16   -15.510   -15.509     0.001     (0)  
    CaH[14C]O3+     3.139e-17   2.880e-17   -16.503   -16.541    -0.037     (0)  
-   H[14C]O2[18O]-   2.966e-18   2.714e-18   -17.528   -17.566    -0.039     (0)  
-   H[14C]O[18O]O-   2.966e-18   2.714e-18   -17.528   -17.566    -0.039     (0)  
    H[14C][18O]O2-   2.966e-18   2.714e-18   -17.528   -17.566    -0.039     (0)  
+   H[14C]O[18O]O-   2.966e-18   2.714e-18   -17.528   -17.566    -0.039     (0)  
+   H[14C]O2[18O]-   2.966e-18   2.714e-18   -17.528   -17.566    -0.039     (0)  
    Ca[14C]O3       1.721e-18   1.724e-18   -17.764   -17.763     0.001     (0)  
    [14C]O[18O]     1.286e-18   1.288e-18   -17.891   -17.890     0.001     (0)  
    [14C]O3-2       8.829e-19   6.185e-19   -18.054   -18.209    -0.155     (0)  
    CaH[14C]O2[18O]+   6.264e-20   5.746e-20   -19.203   -19.241    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.264e-20   5.746e-20   -19.203   -19.241    -0.037     (0)  
    CaH[14C][18O]O2+   6.264e-20   5.746e-20   -19.203   -19.241    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.264e-20   5.746e-20   -19.203   -19.241    -0.037     (0)  
    Ca[14C]O2[18O]   1.030e-20   1.032e-20   -19.987   -19.986     0.001     (0)  
+   H[14C][18O]O[18O]-   5.918e-21   5.414e-21   -20.228   -20.266    -0.039     (0)  
    H[14C]O[18O]2-   5.918e-21   5.414e-21   -20.228   -20.266    -0.039     (0)  
    H[14C][18O]2O-   5.918e-21   5.414e-21   -20.228   -20.266    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.918e-21   5.414e-21   -20.228   -20.266    -0.039     (0)  
    [14C]O2[18O]-2   5.284e-21   3.702e-21   -20.277   -20.432    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.426e-16
-   O[18O]          4.417e-16   4.424e-16   -15.355   -15.354     0.001     (0)  
-   [18O]2          4.406e-19   4.413e-19   -18.356   -18.355     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.737e-16
+   O[18O]          2.731e-16   2.736e-16   -15.564   -15.563     0.001     (0)  
+   [18O]2          2.725e-19   2.729e-19   -18.565   -18.564     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.96   -126.82   -2.86  [13C]H4
+  [13C]H4(g)     -123.54   -126.40   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.41    -20.91   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.51   -137.37   -2.86  [14C]H4
+  [14C]H4(g)     -134.09   -136.95   -2.86  [14C]H4
   [14C]O2(g)      -14.04    -15.51   -1.47  [14C]O2
   [14C]O[18O](g)  -16.42    -18.21   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.06    -18.36   -2.29  [18O]2
+  [18O]2(g)       -16.27    -18.56   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -33101,14 +33091,14 @@ O(0)          2.223e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.00   -124.86   -2.86  CH4
+  CH4(g)         -121.58   -124.44   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.46    -39.61   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.06    -12.96   -2.89  O2
-  O[18O](g)       -12.76    -15.66   -2.89  O[18O]
+  O2(g)           -10.27    -13.16   -2.89  O2
+  O[18O](g)       -12.97    -15.86   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -33172,23 +33162,23 @@ Calcite                                     7.56e-03
 
      R(18O)              	 1.99519e-03	        -4.9934  permil    
      R(13C)              	 1.11042e-02	        -6.7983  permil    
-     R(14C)              	 3.03381e-13	           25.8  pmc       
+     R(14C)              	 3.03383e-13	           25.8  pmc       
      R(18O) H2O(l)       	 1.99518e-03	         -4.995  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	         -4.995  permil    
      R(13C) CO2(aq)      	 1.10247e-02	        -13.906  permil    
-     R(14C) CO2(aq)      	 2.99051e-13	         25.432  pmc       
+     R(14C) CO2(aq)      	 2.99053e-13	         25.432  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	         -4.995  permil    
      R(13C) HCO3-        	 1.11206e-02	        -5.3273  permil    
-     R(14C) HCO3-        	 3.04277e-13	         25.876  pmc       
+     R(14C) HCO3-        	 3.04279e-13	         25.877  pmc       
      R(18O) CO3-2        	 1.99518e-03	         -4.995  permil    
      R(13C) CO3-2        	 1.11047e-02	        -6.7548  permil    
-     R(14C) CO3-2        	 3.03405e-13	         25.802  pmc       
+     R(14C) CO3-2        	 3.03407e-13	         25.802  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.651  permil    
      R(13C) Calcite      	 1.11427e-02	        -3.3572  permil    
-     R(14C) Calcite      	 3.05484e-13	         25.979  pmc       
+     R(14C) Calcite      	 3.05486e-13	         25.979  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -33198,12 +33188,12 @@ Calcite                                     7.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2589e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2775e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.9944e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6561e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7398e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -33223,14 +33213,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.302      Adjusted to redox equilibrium
+                                       pe  =  11.263      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -33245,14 +33235,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.924  -124.924     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.620  -124.619     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -33260,9 +33250,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -33270,50 +33260,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.064e-08   6.074e-08    -7.217    -7.217     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.730e-40
-   H2              1.865e-40   1.868e-40   -39.729   -39.729     0.001     (0)  
-O(0)          2.386e-13
-   O2              1.188e-13   1.190e-13   -12.925   -12.924     0.001     (0)  
-   O[18O]          4.741e-16   4.749e-16   -15.324   -15.323     0.001     (0)  
+H(0)          4.445e-40
+   H2              2.222e-40   2.226e-40   -39.653   -39.652     0.001     (0)  
+O(0)          1.679e-13
+   O2              8.364e-14   8.378e-14   -13.078   -13.077     0.001     (0)  
+   O[18O]          3.338e-16   3.343e-16   -15.477   -15.476     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.882  -126.881     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.577  -126.576     0.001     (0)  
 [13C](4)      6.485e-05
    H[13C]O3-       5.231e-05   4.786e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.959     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.548e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.064e-08   6.074e-08    -7.217    -7.217     0.001     (0)  
    [13C]O[18O]     4.565e-08   4.573e-08    -7.341    -7.340     0.001     (0)  
    [13C]O3-2       3.111e-08   2.179e-08    -7.507    -7.662    -0.155     (0)  
+   CaH[13C][18O]O2+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.630e-10   3.636e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.082e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.862e-10   1.304e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.449  -137.448     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.144  -137.143     0.001     (0)  
 [14C](4)      1.772e-15
    H[14C]O3-       1.431e-15   1.309e-15   -14.844   -14.883    -0.039     (0)  
    [14C]O2         2.978e-16   2.983e-16   -15.526   -15.525     0.001     (0)  
    CaH[14C]O3+     3.022e-17   2.772e-17   -16.520   -16.557    -0.037     (0)  
-   H[14C]O2[18O]-   2.856e-18   2.612e-18   -17.544   -17.583    -0.039     (0)  
-   H[14C]O[18O]O-   2.856e-18   2.612e-18   -17.544   -17.583    -0.039     (0)  
    H[14C][18O]O2-   2.856e-18   2.612e-18   -17.544   -17.583    -0.039     (0)  
+   H[14C]O[18O]O-   2.856e-18   2.612e-18   -17.544   -17.583    -0.039     (0)  
+   H[14C]O2[18O]-   2.856e-18   2.612e-18   -17.544   -17.583    -0.039     (0)  
    Ca[14C]O3       1.657e-18   1.660e-18   -17.781   -17.780     0.001     (0)  
    [14C]O[18O]     1.238e-18   1.240e-18   -17.907   -17.906     0.001     (0)  
    [14C]O3-2       8.499e-19   5.954e-19   -18.071   -18.225    -0.155     (0)  
    CaH[14C]O2[18O]+   6.030e-20   5.532e-20   -19.220   -19.257    -0.037     (0)  
-   CaH[14C]O[18O]O+   6.030e-20   5.532e-20   -19.220   -19.257    -0.037     (0)  
    CaH[14C][18O]O2+   6.030e-20   5.532e-20   -19.220   -19.257    -0.037     (0)  
+   CaH[14C]O[18O]O+   6.030e-20   5.532e-20   -19.220   -19.257    -0.037     (0)  
    Ca[14C]O2[18O]   9.917e-21   9.933e-21   -20.004   -20.003     0.001     (0)  
    H[14C]O[18O]2-   5.697e-21   5.212e-21   -20.244   -20.283    -0.039     (0)  
    H[14C][18O]2O-   5.697e-21   5.212e-21   -20.244   -20.283    -0.039     (0)  
@@ -33322,29 +33312,29 @@ O(0)          2.386e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.750e-16
-   O[18O]          4.741e-16   4.749e-16   -15.324   -15.323     0.001     (0)  
-   [18O]2          4.729e-19   4.737e-19   -18.325   -18.324     0.001     (0)  
+[18O](0)      3.344e-16
+   O[18O]          3.338e-16   3.343e-16   -15.477   -15.476     0.001     (0)  
+   [18O]2          3.330e-19   3.335e-19   -18.478   -18.477     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.02   -126.88   -2.86  [13C]H4
+  [13C]H4(g)     -123.72   -126.58   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.42    -20.93   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.59   -137.45   -2.86  [14C]H4
+  [14C]H4(g)     -134.28   -137.14   -2.86  [14C]H4
   [14C]O2(g)      -14.06    -15.53   -1.47  [14C]O2
   [14C]O[18O](g)  -16.44    -18.23   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.03    -18.32   -2.29  [18O]2
+  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -33358,14 +33348,14 @@ O(0)          2.386e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.06   -124.92   -2.86  CH4
+  CH4(g)         -121.76   -124.62   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.58    -39.73   -3.15  H2
+  H2(g)           -36.50    -39.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.03    -12.92   -2.89  O2
-  O[18O](g)       -12.73    -15.62   -2.89  O[18O]
+  O2(g)           -10.18    -13.08   -2.89  O2
+  O[18O](g)       -12.88    -15.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -33429,23 +33419,23 @@ Calcite                                     8.06e-03
 
      R(18O)              	 1.99519e-03	        -4.9933  permil    
      R(13C)              	 1.11064e-02	         -6.604  permil    
-     R(14C)              	 2.92472e-13	         24.872  pmc       
+     R(14C)              	 2.92474e-13	         24.873  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9948  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9948  permil    
      R(13C) CO2(aq)      	 1.10269e-02	        -13.713  permil    
-     R(14C) CO2(aq)      	 2.88297e-13	         24.517  pmc       
+     R(14C) CO2(aq)      	 2.88299e-13	         24.518  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9948  permil    
      R(13C) HCO3-        	 1.11228e-02	        -5.1328  permil    
-     R(14C) HCO3-        	 2.93335e-13	         24.946  pmc       
+     R(14C) HCO3-        	 2.93337e-13	         24.946  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9948  permil    
      R(13C) CO3-2        	 1.11069e-02	        -6.5605  permil    
-     R(14C) CO3-2        	 2.92494e-13	         24.874  pmc       
+     R(14C) CO3-2        	 2.92496e-13	         24.874  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.651  permil    
      R(13C) Calcite      	 1.11448e-02	        -3.1623  permil    
-     R(14C) Calcite      	 2.94499e-13	         25.045  pmc       
+     R(14C) Calcite      	 2.94501e-13	         25.045  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -33455,12 +33445,12 @@ Calcite                                     8.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2575e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2434e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.6605e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6124e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6931e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -33480,14 +33470,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.296      Adjusted to redox equilibrium
+                                       pe  =  11.246      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -33502,24 +33492,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.882  -124.881     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.476  -124.476     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -33527,23 +33517,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.065e-08   6.075e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.822e-40
-   H2              1.911e-40   1.914e-40   -39.719   -39.718     0.001     (0)  
-O(0)          2.271e-13
-   O2              1.131e-13   1.133e-13   -12.946   -12.946     0.001     (0)  
-   O[18O]          4.514e-16   4.521e-16   -15.345   -15.345     0.001     (0)  
+H(0)          4.827e-40
+   H2              2.414e-40   2.418e-40   -39.617   -39.617     0.001     (0)  
+O(0)          1.424e-13
+   O2              7.092e-14   7.104e-14   -13.149   -13.148     0.001     (0)  
+   O[18O]          2.830e-16   2.835e-16   -15.548   -15.547     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.839  -126.839     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.434  -126.433     0.001     (0)  
 [13C](4)      6.486e-05
    H[13C]O3-       5.232e-05   4.786e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.959     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.013e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.550e-08    -6.981    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.044e-07   9.550e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.550e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.550e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.065e-08   6.075e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.566e-08   4.574e-08    -7.340    -7.340     0.001     (0)  
@@ -33552,56 +33542,56 @@ O(0)          2.271e-13
    CaH[13C]O[18O]O+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.204e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.630e-10   3.636e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.083e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.083e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.083e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.083e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.083e-10   1.905e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.862e-10   1.305e-10    -9.730    -9.885    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.422  -137.421     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.016  -137.016     0.001     (0)  
 [14C](4)      1.708e-15
    H[14C]O3-       1.380e-15   1.262e-15   -14.860   -14.899    -0.039     (0)  
    [14C]O2         2.871e-16   2.876e-16   -15.542   -15.541     0.001     (0)  
    CaH[14C]O3+     2.914e-17   2.673e-17   -16.536   -16.573    -0.037     (0)  
-   H[14C]O2[18O]-   2.753e-18   2.519e-18   -17.560   -17.599    -0.039     (0)  
-   H[14C]O[18O]O-   2.753e-18   2.519e-18   -17.560   -17.599    -0.039     (0)  
    H[14C][18O]O2-   2.753e-18   2.519e-18   -17.560   -17.599    -0.039     (0)  
+   H[14C]O[18O]O-   2.753e-18   2.519e-18   -17.560   -17.599    -0.039     (0)  
+   H[14C]O2[18O]-   2.753e-18   2.519e-18   -17.560   -17.599    -0.039     (0)  
    Ca[14C]O3       1.597e-18   1.600e-18   -17.797   -17.796     0.001     (0)  
    [14C]O[18O]     1.194e-18   1.196e-18   -17.923   -17.922     0.001     (0)  
    [14C]O3-2       8.194e-19   5.740e-19   -18.087   -18.241    -0.155     (0)  
    CaH[14C]O2[18O]+   5.813e-20   5.333e-20   -19.236   -19.273    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.813e-20   5.333e-20   -19.236   -19.273    -0.037     (0)  
    CaH[14C][18O]O2+   5.813e-20   5.333e-20   -19.236   -19.273    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.813e-20   5.333e-20   -19.236   -19.273    -0.037     (0)  
    Ca[14C]O2[18O]   9.560e-21   9.576e-21   -20.020   -20.019     0.001     (0)  
-   H[14C]O[18O]2-   5.492e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
-   H[14C][18O]2O-   5.492e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.492e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
+   H[14C][18O]2O-   5.493e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
+   H[14C][18O]O[18O]-   5.493e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
+   H[14C]O[18O]2-   5.493e-21   5.025e-21   -20.260   -20.299    -0.039     (0)  
    [14C]O2[18O]-2   4.904e-21   3.436e-21   -20.309   -20.464    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.523e-16
-   O[18O]          4.514e-16   4.521e-16   -15.345   -15.345     0.001     (0)  
-   [18O]2          4.503e-19   4.510e-19   -18.346   -18.346     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.836e-16
+   O[18O]          2.830e-16   2.835e-16   -15.548   -15.547     0.001     (0)  
+   [18O]2          2.823e-19   2.828e-19   -18.549   -18.549     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.98   -126.84   -2.86  [13C]H4
+  [13C]H4(g)     -123.57   -126.43   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.44    -20.94   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.56   -137.42   -2.86  [14C]H4
+  [14C]H4(g)     -134.16   -137.02   -2.86  [14C]H4
   [14C]O2(g)      -14.07    -15.54   -1.47  [14C]O2
   [14C]O[18O](g)  -16.45    -18.24   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.06    -18.35   -2.29  [18O]2
+  [18O]2(g)       -16.26    -18.55   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -33615,14 +33605,14 @@ O(0)          2.271e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.02   -124.88   -2.86  CH4
+  CH4(g)         -121.62   -124.48   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.57    -39.72   -3.15  H2
+  H2(g)           -36.47    -39.62   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.05    -12.95   -2.89  O2
-  O[18O](g)       -12.75    -15.65   -2.89  O[18O]
+  O2(g)           -10.26    -13.15   -2.89  O2
+  O[18O](g)       -12.96    -15.85   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -33686,23 +33676,23 @@ Calcite                                     8.56e-03
 
      R(18O)              	 1.99519e-03	        -4.9932  permil    
      R(13C)              	 1.11084e-02	        -6.4232  permil    
-     R(14C)              	 2.82319e-13	         24.009  pmc       
+     R(14C)              	 2.82321e-13	         24.009  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9947  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9947  permil    
      R(13C) CO2(aq)      	 1.10289e-02	        -13.534  permil    
-     R(14C) CO2(aq)      	 2.78290e-13	         23.666  pmc       
+     R(14C) CO2(aq)      	 2.78292e-13	         23.667  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9947  permil    
      R(13C) HCO3-        	 1.11248e-02	        -4.9517  permil    
-     R(14C) HCO3-        	 2.83153e-13	          24.08  pmc       
+     R(14C) HCO3-        	 2.83155e-13	          24.08  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9947  permil    
      R(13C) CO3-2        	 1.11089e-02	        -6.3797  permil    
-     R(14C) CO3-2        	 2.82341e-13	         24.011  pmc       
+     R(14C) CO3-2        	 2.82343e-13	         24.011  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11469e-02	        -2.9809  permil    
-     R(14C) Calcite      	 2.84276e-13	         24.175  pmc       
+     R(14C) Calcite      	 2.84278e-13	         24.176  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -33712,12 +33702,12 @@ Calcite                                     8.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2502e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2675e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5609e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6435e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -33737,14 +33727,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.304      Adjusted to redox equilibrium
+                                       pe  =  11.262      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -33759,14 +33749,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.943  -124.942     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.609  -124.609     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.112e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -33774,9 +33764,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -33784,81 +33774,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.066e-08   6.076e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.690e-40
-   H2              1.845e-40   1.848e-40   -39.734   -39.733     0.001     (0)  
-O(0)          2.438e-13
-   O2              1.214e-13   1.216e-13   -12.916   -12.915     0.001     (0)  
-   O[18O]          4.844e-16   4.852e-16   -15.315   -15.314     0.001     (0)  
+H(0)          4.471e-40
+   H2              2.236e-40   2.239e-40   -39.651   -39.650     0.001     (0)  
+O(0)          1.660e-13
+   O2              8.267e-14   8.280e-14   -13.083   -13.082     0.001     (0)  
+   O[18O]          3.299e-16   3.304e-16   -15.482   -15.481     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.901  -126.900     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.567  -126.566     0.001     (0)  
 [13C](4)      6.487e-05
    H[13C]O3-       5.233e-05   4.787e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.959     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.044e-07   9.552e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.066e-08   6.076e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.567e-08   4.575e-08    -7.340    -7.340     0.001     (0)  
    [13C]O3-2       3.112e-08   2.180e-08    -7.507    -7.662    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.205e-09   2.022e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.631e-10   3.637e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.863e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.499  -137.498     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.165  -137.164     0.001     (0)  
 [14C](4)      1.649e-15
    H[14C]O3-       1.332e-15   1.218e-15   -14.876   -14.914    -0.039     (0)  
    [14C]O2         2.771e-16   2.776e-16   -15.557   -15.557     0.001     (0)  
    CaH[14C]O3+     2.812e-17   2.580e-17   -16.551   -16.588    -0.037     (0)  
-   H[14C]O2[18O]-   2.657e-18   2.431e-18   -17.576   -17.614    -0.039     (0)  
-   H[14C]O[18O]O-   2.657e-18   2.431e-18   -17.576   -17.614    -0.039     (0)  
    H[14C][18O]O2-   2.657e-18   2.431e-18   -17.576   -17.614    -0.039     (0)  
+   H[14C]O[18O]O-   2.657e-18   2.431e-18   -17.576   -17.614    -0.039     (0)  
+   H[14C]O2[18O]-   2.657e-18   2.431e-18   -17.576   -17.614    -0.039     (0)  
    Ca[14C]O3       1.542e-18   1.544e-18   -17.812   -17.811     0.001     (0)  
    [14C]O[18O]     1.152e-18   1.154e-18   -17.938   -17.938     0.001     (0)  
    [14C]O3-2       7.909e-19   5.541e-19   -18.102   -18.256    -0.155     (0)  
-   CaH[14C]O2[18O]+   5.611e-20   5.147e-20   -19.251   -19.288    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.611e-20   5.147e-20   -19.251   -19.288    -0.037     (0)  
-   CaH[14C][18O]O2+   5.611e-20   5.147e-20   -19.251   -19.288    -0.037     (0)  
+   CaH[14C]O2[18O]+   5.611e-20   5.148e-20   -19.251   -19.288    -0.037     (0)  
+   CaH[14C][18O]O2+   5.611e-20   5.148e-20   -19.251   -19.288    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.611e-20   5.148e-20   -19.251   -19.288    -0.037     (0)  
    Ca[14C]O2[18O]   9.229e-21   9.244e-21   -20.035   -20.034     0.001     (0)  
-   H[14C]O[18O]2-   5.302e-21   4.850e-21   -20.276   -20.314    -0.039     (0)  
-   H[14C][18O]2O-   5.302e-21   4.850e-21   -20.276   -20.314    -0.039     (0)  
-   H[14C][18O]O[18O]-   5.302e-21   4.850e-21   -20.276   -20.314    -0.039     (0)  
+   H[14C][18O]O[18O]-   5.302e-21   4.851e-21   -20.276   -20.314    -0.039     (0)  
+   H[14C]O[18O]2-   5.302e-21   4.851e-21   -20.276   -20.314    -0.039     (0)  
+   H[14C][18O]2O-   5.302e-21   4.851e-21   -20.276   -20.314    -0.039     (0)  
    [14C]O2[18O]-2   4.734e-21   3.316e-21   -20.325   -20.479    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.854e-16
-   O[18O]          4.844e-16   4.852e-16   -15.315   -15.314     0.001     (0)  
-   [18O]2          4.832e-19   4.840e-19   -18.316   -18.315     0.001     (0)  
+[18O](0)      3.305e-16
+   O[18O]          3.299e-16   3.304e-16   -15.482   -15.481     0.001     (0)  
+   [18O]2          3.291e-19   3.296e-19   -18.483   -18.482     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.04   -126.90   -2.86  [13C]H4
+  [13C]H4(g)     -123.71   -126.57   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.45    -20.96   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.64   -137.50   -2.86  [14C]H4
+  [14C]H4(g)     -134.30   -137.16   -2.86  [14C]H4
   [14C]O2(g)      -14.09    -15.56   -1.47  [14C]O2
   [14C]O[18O](g)  -16.47    -18.26   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.02    -18.32   -2.29  [18O]2
+  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -33872,14 +33862,14 @@ O(0)          2.438e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.08   -124.94   -2.86  CH4
+  CH4(g)         -121.75   -124.61   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.58    -39.73   -3.15  H2
+  H2(g)           -36.50    -39.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.02    -12.92   -2.89  O2
-  O[18O](g)       -12.72    -15.62   -2.89  O[18O]
+  O2(g)           -10.19    -13.08   -2.89  O2
+  O[18O](g)       -12.89    -15.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -33943,23 +33933,23 @@ Calcite                                     9.06e-03
 
      R(18O)              	 1.99519e-03	         -4.993  permil    
      R(13C)              	 1.11103e-02	        -6.2545  permil    
-     R(14C)              	 2.72848e-13	         23.204  pmc       
+     R(14C)              	 2.72850e-13	         23.204  pmc       
      R(18O) H2O(l)       	 1.99518e-03	        -4.9945  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99518e-03	        -4.9945  permil    
      R(13C) CO2(aq)      	 1.10308e-02	        -13.366  permil    
-     R(14C) CO2(aq)      	 2.68954e-13	         22.872  pmc       
+     R(14C) CO2(aq)      	 2.68956e-13	         22.873  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99518e-03	        -4.9945  permil    
      R(13C) HCO3-        	 1.11267e-02	        -4.7828  permil    
-     R(14C) HCO3-        	 2.73654e-13	         23.272  pmc       
+     R(14C) HCO3-        	 2.73656e-13	         23.272  pmc       
      R(18O) CO3-2        	 1.99518e-03	        -4.9945  permil    
      R(13C) CO3-2        	 1.11108e-02	         -6.211  permil    
-     R(14C) CO3-2        	 2.72869e-13	         23.205  pmc       
+     R(14C) CO3-2        	 2.72871e-13	         23.206  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11488e-02	        -2.8116  permil    
-     R(14C) Calcite      	 2.74739e-13	         23.364  pmc       
+     R(14C) Calcite      	 2.74741e-13	         23.365  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -33969,12 +33959,12 @@ Calcite                                     9.06e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2348e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2847e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.6613e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7715e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.648e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -33994,14 +33984,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.315      Adjusted to redox equilibrium
+                                       pe  =  11.270      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -34016,24 +34006,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.032  -125.031     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.669  -124.669     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -34041,50 +34031,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.067e-08   6.077e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.506e-40
-   H2              1.753e-40   1.756e-40   -39.756   -39.755     0.001     (0)  
-O(0)          2.699e-13
-   O2              1.344e-13   1.346e-13   -12.872   -12.871     0.001     (0)  
-   O[18O]          5.363e-16   5.372e-16   -15.271   -15.270     0.001     (0)  
+H(0)          4.320e-40
+   H2              2.160e-40   2.163e-40   -39.666   -39.665     0.001     (0)  
+O(0)          1.778e-13
+   O2              8.857e-14   8.871e-14   -13.053   -13.052     0.001     (0)  
+   O[18O]          3.534e-16   3.540e-16   -15.452   -15.451     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.989  -126.988     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.627  -126.626     0.001     (0)  
 [13C](4)      6.489e-05
    H[13C]O3-       5.234e-05   4.788e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.098e-05   1.100e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.553e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.044e-07   9.553e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.553e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.044e-07   9.553e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.553e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.067e-08   6.077e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.568e-08   4.575e-08    -7.340    -7.340     0.001     (0)  
    [13C]O3-2       3.112e-08   2.180e-08    -7.507    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.632e-10   3.638e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.083e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.863e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.602  -137.601     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.240  -137.239     0.001     (0)  
 [14C](4)      1.593e-15
    H[14C]O3-       1.287e-15   1.178e-15   -14.890   -14.929    -0.039     (0)  
    [14C]O2         2.678e-16   2.683e-16   -15.572   -15.571     0.001     (0)  
    CaH[14C]O3+     2.718e-17   2.493e-17   -16.566   -16.603    -0.037     (0)  
-   H[14C]O2[18O]-   2.568e-18   2.350e-18   -17.590   -17.629    -0.039     (0)  
-   H[14C]O[18O]O-   2.568e-18   2.350e-18   -17.590   -17.629    -0.039     (0)  
    H[14C][18O]O2-   2.568e-18   2.350e-18   -17.590   -17.629    -0.039     (0)  
+   H[14C]O[18O]O-   2.568e-18   2.350e-18   -17.590   -17.629    -0.039     (0)  
+   H[14C]O2[18O]-   2.568e-18   2.350e-18   -17.590   -17.629    -0.039     (0)  
    Ca[14C]O3       1.490e-18   1.493e-18   -17.827   -17.826     0.001     (0)  
    [14C]O[18O]     1.114e-18   1.116e-18   -17.953   -17.953     0.001     (0)  
    [14C]O3-2       7.644e-19   5.355e-19   -18.117   -18.271    -0.155     (0)  
    CaH[14C]O2[18O]+   5.423e-20   4.975e-20   -19.266   -19.303    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.423e-20   4.975e-20   -19.266   -19.303    -0.037     (0)  
    CaH[14C][18O]O2+   5.423e-20   4.975e-20   -19.266   -19.303    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.423e-20   4.975e-20   -19.266   -19.303    -0.037     (0)  
    Ca[14C]O2[18O]   8.919e-21   8.934e-21   -20.050   -20.049     0.001     (0)  
    H[14C]O[18O]2-   5.124e-21   4.688e-21   -20.290   -20.329    -0.039     (0)  
    H[14C][18O]2O-   5.124e-21   4.688e-21   -20.290   -20.329    -0.039     (0)  
@@ -34093,29 +34083,29 @@ O(0)          2.699e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.374e-16
-   O[18O]          5.363e-16   5.372e-16   -15.271   -15.270     0.001     (0)  
-   [18O]2          5.350e-19   5.359e-19   -18.272   -18.271     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      3.541e-16
+   O[18O]          3.534e-16   3.540e-16   -15.452   -15.451     0.001     (0)  
+   [18O]2          3.526e-19   3.532e-19   -18.453   -18.452     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.13   -126.99   -2.86  [13C]H4
+  [13C]H4(g)     -123.77   -126.63   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.47    -20.97   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.74   -137.60   -2.86  [14C]H4
+  [14C]H4(g)     -134.38   -137.24   -2.86  [14C]H4
   [14C]O2(g)      -14.10    -15.57   -1.47  [14C]O2
   [14C]O[18O](g)  -16.48    -18.27   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.98    -18.27   -2.29  [18O]2
+  [18O]2(g)       -16.16    -18.45   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -34129,14 +34119,14 @@ O(0)          2.699e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.17   -125.03   -2.86  CH4
+  CH4(g)         -121.81   -124.67   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.51    -39.66   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.98    -12.87   -2.89  O2
-  O[18O](g)       -12.68    -15.57   -2.89  O[18O]
+  O2(g)           -10.16    -13.05   -2.89  O2
+  O[18O](g)       -12.86    -15.75   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -34200,23 +34190,23 @@ Calcite                                     9.56e-03
 
      R(18O)              	 1.99519e-03	        -4.9929  permil    
      R(13C)              	 1.11120e-02	        -6.0968  permil    
-     R(14C)              	 2.63992e-13	          22.45  pmc       
+     R(14C)              	 2.63994e-13	         22.451  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9944  permil    
      R(18O) OH-          	 1.92122e-03	        -41.882  permil    
      R(18O) H3O+         	 2.04132e-03	         18.013  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9944  permil    
      R(13C) CO2(aq)      	 1.10325e-02	         -13.21  permil    
-     R(14C) CO2(aq)      	 2.60224e-13	          22.13  pmc       
+     R(14C) CO2(aq)      	 2.60226e-13	          22.13  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.879  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9944  permil    
      R(13C) HCO3-        	 1.11285e-02	        -4.6248  permil    
-     R(14C) HCO3-        	 2.64772e-13	         22.517  pmc       
+     R(14C) HCO3-        	 2.64773e-13	         22.517  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9944  permil    
      R(13C) CO3-2        	 1.11125e-02	        -6.0532  permil    
-     R(14C) CO3-2        	 2.64012e-13	         22.452  pmc       
+     R(14C) CO3-2        	 2.64014e-13	         22.452  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11505e-02	        -2.6533  permil    
-     R(14C) Calcite      	 2.65822e-13	         22.606  pmc       
+     R(14C) Calcite      	 2.65823e-13	         22.606  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -34226,12 +34216,12 @@ Calcite                                     9.56e-03
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2471e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2652e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5683e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7181e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -34251,14 +34241,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.316      Adjusted to redox equilibrium
+                                       pe  =  11.263      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -34273,13 +34263,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.042  -125.041     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.614  -124.613     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -34288,9 +34278,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -34298,23 +34288,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.068e-08   6.078e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.486e-40
-   H2              1.743e-40   1.746e-40   -39.759   -39.758     0.001     (0)  
-O(0)          2.731e-13
-   O2              1.360e-13   1.362e-13   -12.867   -12.866     0.001     (0)  
-   O[18O]          5.426e-16   5.435e-16   -15.265   -15.265     0.001     (0)  
+H(0)          4.459e-40
+   H2              2.229e-40   2.233e-40   -39.652   -39.651     0.001     (0)  
+O(0)          1.669e-13
+   O2              8.312e-14   8.326e-14   -13.080   -13.080     0.001     (0)  
+   O[18O]          3.317e-16   3.322e-16   -15.479   -15.479     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.999  -126.998     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.571  -126.571     0.001     (0)  
 [13C](4)      6.490e-05
    H[13C]O3-       5.234e-05   4.789e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.100e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.105e-06   1.014e-06    -5.957    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.044e-07   9.555e-08    -6.981    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.044e-07   9.555e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.044e-07   9.555e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.044e-07   9.555e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.068e-08   6.078e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.569e-08   4.576e-08    -7.340    -7.340     0.001     (0)  
@@ -34323,56 +34313,56 @@ O(0)          2.731e-13
    CaH[13C]O[18O]O+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.205e-09   2.023e-09    -8.657    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.632e-10   3.638e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.084e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.084e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.084e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.084e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.084e-10   1.906e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.863e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.626  -137.626     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.199  -137.198     0.001     (0)  
 [14C](4)      1.542e-15
    H[14C]O3-       1.245e-15   1.139e-15   -14.905   -14.943    -0.039     (0)  
    [14C]O2         2.591e-16   2.596e-16   -15.586   -15.586     0.001     (0)  
    CaH[14C]O3+     2.630e-17   2.412e-17   -16.580   -16.618    -0.037     (0)  
-   H[14C]O2[18O]-   2.485e-18   2.273e-18   -17.605   -17.643    -0.039     (0)  
-   H[14C]O[18O]O-   2.485e-18   2.273e-18   -17.605   -17.643    -0.039     (0)  
    H[14C][18O]O2-   2.485e-18   2.273e-18   -17.605   -17.643    -0.039     (0)  
+   H[14C]O[18O]O-   2.485e-18   2.273e-18   -17.605   -17.643    -0.039     (0)  
+   H[14C]O2[18O]-   2.485e-18   2.273e-18   -17.605   -17.643    -0.039     (0)  
    Ca[14C]O3       1.442e-18   1.444e-18   -17.841   -17.840     0.001     (0)  
    [14C]O[18O]     1.078e-18   1.079e-18   -17.968   -17.967     0.001     (0)  
    [14C]O3-2       7.396e-19   5.181e-19   -18.131   -18.286    -0.155     (0)  
    CaH[14C]O2[18O]+   5.247e-20   4.813e-20   -19.280   -19.318    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.247e-20   4.813e-20   -19.280   -19.318    -0.037     (0)  
    CaH[14C][18O]O2+   5.247e-20   4.813e-20   -19.280   -19.318    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.247e-20   4.813e-20   -19.280   -19.318    -0.037     (0)  
    Ca[14C]O2[18O]   8.629e-21   8.644e-21   -20.064   -20.063     0.001     (0)  
-   H[14C]O[18O]2-   4.958e-21   4.536e-21   -20.305   -20.343    -0.039     (0)  
    H[14C][18O]2O-   4.958e-21   4.536e-21   -20.305   -20.343    -0.039     (0)  
    H[14C][18O]O[18O]-   4.958e-21   4.536e-21   -20.305   -20.343    -0.039     (0)  
+   H[14C]O[18O]2-   4.958e-21   4.536e-21   -20.305   -20.343    -0.039     (0)  
    [14C]O2[18O]-2   4.427e-21   3.101e-21   -20.354   -20.508    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.437e-16
-   O[18O]          5.426e-16   5.435e-16   -15.265   -15.265     0.001     (0)  
-   [18O]2          5.413e-19   5.422e-19   -18.267   -18.266     0.001     (0)  
+[18O](0)      3.323e-16
+   O[18O]          3.317e-16   3.322e-16   -15.479   -15.479     0.001     (0)  
+   [18O]2          3.309e-19   3.314e-19   -18.480   -18.480     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.14   -127.00   -2.86  [13C]H4
+  [13C]H4(g)     -123.71   -126.57   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.48    -20.99   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.77   -137.63   -2.86  [14C]H4
+  [14C]H4(g)     -134.34   -137.20   -2.86  [14C]H4
   [14C]O2(g)      -14.12    -15.59   -1.47  [14C]O2
   [14C]O[18O](g)  -16.50    -18.29   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.98    -18.27   -2.29  [18O]2
+  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -34386,14 +34376,14 @@ O(0)          2.731e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.18   -125.04   -2.86  CH4
+  CH4(g)         -121.75   -124.61   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.50    -39.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.97    -12.87   -2.89  O2
-  O[18O](g)       -12.67    -15.57   -2.89  O[18O]
+  O2(g)           -10.19    -13.08   -2.89  O2
+  O[18O](g)       -12.89    -15.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -34457,23 +34447,23 @@ Calcite                                     1.01e-02
 
      R(18O)              	 1.99519e-03	        -4.9927  permil    
      R(13C)              	 1.11137e-02	        -5.9489  permil    
-     R(14C)              	 2.55692e-13	         21.745  pmc       
+     R(14C)              	 2.55694e-13	         21.745  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9943  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9943  permil    
      R(13C) CO2(aq)      	 1.10342e-02	        -13.063  permil    
-     R(14C) CO2(aq)      	 2.52043e-13	         21.434  pmc       
+     R(14C) CO2(aq)      	 2.52045e-13	         21.434  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9943  permil    
      R(13C) HCO3-        	 1.11301e-02	        -4.4767  permil    
-     R(14C) HCO3-        	 2.56448e-13	         21.809  pmc       
+     R(14C) HCO3-        	 2.56449e-13	         21.809  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9943  permil    
      R(13C) CO3-2        	 1.11142e-02	        -5.9054  permil    
-     R(14C) CO3-2        	 2.55712e-13	         21.746  pmc       
+     R(14C) CO3-2        	 2.55714e-13	         21.746  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11522e-02	        -2.5049  permil    
-     R(14C) Calcite      	 2.57465e-13	         21.895  pmc       
+     R(14C) Calcite      	 2.57466e-13	         21.895  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -34483,12 +34473,12 @@ Calcite                                     1.01e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2393e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.6605e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6993e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6444e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -34508,14 +34498,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.320      Adjusted to redox equilibrium
+                                       pe  =  11.281      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -34530,24 +34520,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.070  -125.069     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.759  -124.758     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -34555,81 +34545,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.069e-08   6.079e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.430e-40
-   H2              1.715e-40   1.718e-40   -39.766   -39.765     0.001     (0)  
-O(0)          2.821e-13
-   O2              1.405e-13   1.407e-13   -12.852   -12.852     0.001     (0)  
-   O[18O]          5.605e-16   5.614e-16   -15.251   -15.251     0.001     (0)  
+H(0)          4.103e-40
+   H2              2.052e-40   2.055e-40   -39.688   -39.687     0.001     (0)  
+O(0)          1.971e-13
+   O2              9.816e-14   9.832e-14   -13.008   -13.007     0.001     (0)  
+   O[18O]          3.917e-16   3.923e-16   -15.407   -15.406     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.027  -127.026     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.716  -126.715     0.001     (0)  
 [13C](4)      6.490e-05
    H[13C]O3-       5.235e-05   4.790e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.045e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.556e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.069e-08   6.079e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.569e-08   4.577e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.113e-08   2.181e-08    -7.507    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.206e-09   2.023e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.633e-10   3.639e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.305e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.668  -137.668     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.357  -137.356     0.001     (0)  
 [14C](4)      1.493e-15
    H[14C]O3-       1.206e-15   1.104e-15   -14.919   -14.957    -0.039     (0)  
    [14C]O2         2.510e-16   2.514e-16   -15.600   -15.600     0.001     (0)  
    CaH[14C]O3+     2.547e-17   2.337e-17   -16.594   -16.631    -0.037     (0)  
-   H[14C]O2[18O]-   2.407e-18   2.202e-18   -17.619   -17.657    -0.039     (0)  
-   H[14C]O[18O]O-   2.407e-18   2.202e-18   -17.619   -17.657    -0.039     (0)  
    H[14C][18O]O2-   2.407e-18   2.202e-18   -17.619   -17.657    -0.039     (0)  
+   H[14C]O[18O]O-   2.407e-18   2.202e-18   -17.619   -17.657    -0.039     (0)  
+   H[14C]O2[18O]-   2.407e-18   2.202e-18   -17.619   -17.657    -0.039     (0)  
    Ca[14C]O3       1.396e-18   1.399e-18   -17.855   -17.854     0.001     (0)  
    [14C]O[18O]     1.044e-18   1.045e-18   -17.981   -17.981     0.001     (0)  
    [14C]O3-2       7.163e-19   5.018e-19   -18.145   -18.299    -0.155     (0)  
    CaH[14C]O2[18O]+   5.082e-20   4.662e-20   -19.294   -19.331    -0.037     (0)  
-   CaH[14C]O[18O]O+   5.082e-20   4.662e-20   -19.294   -19.331    -0.037     (0)  
    CaH[14C][18O]O2+   5.082e-20   4.662e-20   -19.294   -19.331    -0.037     (0)  
+   CaH[14C]O[18O]O+   5.082e-20   4.662e-20   -19.294   -19.331    -0.037     (0)  
    Ca[14C]O2[18O]   8.358e-21   8.372e-21   -20.078   -20.077     0.001     (0)  
+   H[14C][18O]O[18O]-   4.802e-21   4.393e-21   -20.319   -20.357    -0.039     (0)  
    H[14C]O[18O]2-   4.802e-21   4.393e-21   -20.319   -20.357    -0.039     (0)  
    H[14C][18O]2O-   4.802e-21   4.393e-21   -20.319   -20.357    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.802e-21   4.393e-21   -20.319   -20.357    -0.039     (0)  
    [14C]O2[18O]-2   4.288e-21   3.004e-21   -20.368   -20.522    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.616e-16
-   O[18O]          5.605e-16   5.614e-16   -15.251   -15.251     0.001     (0)  
-   [18O]2          5.592e-19   5.601e-19   -18.252   -18.252     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      3.925e-16
+   O[18O]          3.917e-16   3.923e-16   -15.407   -15.406     0.001     (0)  
+   [18O]2          3.908e-19   3.914e-19   -18.408   -18.407     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.17   -127.03   -2.86  [13C]H4
+  [13C]H4(g)     -123.86   -126.72   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.50    -21.00   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.81   -137.67   -2.86  [14C]H4
+  [14C]H4(g)     -134.50   -137.36   -2.86  [14C]H4
   [14C]O2(g)      -14.13    -15.60   -1.47  [14C]O2
   [14C]O[18O](g)  -16.51    -18.30   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.12    -18.41   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -34643,14 +34633,14 @@ O(0)          2.821e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -121.90   -124.76   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.54    -39.69   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.11    -13.01   -2.89  O2
+  O[18O](g)       -12.82    -15.71   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -34714,23 +34704,23 @@ Calcite                                     1.06e-02
 
      R(18O)              	 1.99519e-03	        -4.9926  permil    
      R(13C)              	 1.11152e-02	        -5.8101  permil    
-     R(14C)              	 2.47899e-13	         21.082  pmc       
+     R(14C)              	 2.47901e-13	         21.082  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9941  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9941  permil    
      R(13C) CO2(aq)      	 1.10357e-02	        -12.925  permil    
-     R(14C) CO2(aq)      	 2.44361e-13	         20.781  pmc       
+     R(14C) CO2(aq)      	 2.44362e-13	         20.781  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9941  permil    
      R(13C) HCO3-        	 1.11317e-02	        -4.3377  permil    
-     R(14C) HCO3-        	 2.48631e-13	         21.144  pmc       
+     R(14C) HCO3-        	 2.48633e-13	         21.144  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9941  permil    
      R(13C) CO3-2        	 1.11157e-02	        -5.7665  permil    
-     R(14C) CO3-2        	 2.47918e-13	         21.083  pmc       
+     R(14C) CO3-2        	 2.47920e-13	         21.084  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11538e-02	        -2.3656  permil    
-     R(14C) Calcite      	 2.49617e-13	         21.228  pmc       
+     R(14C) Calcite      	 2.49619e-13	         21.228  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -34740,12 +34730,12 @@ Calcite                                     1.06e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2582e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2756e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7283e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6046e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -34765,14 +34755,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.317      Adjusted to redox equilibrium
+                                       pe  =  11.273      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -34787,14 +34777,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.051  -125.051     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.699  -124.698     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -34802,9 +34792,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -34812,50 +34802,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.070e-08   6.080e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.467e-40
-   H2              1.733e-40   1.736e-40   -39.761   -39.760     0.001     (0)  
-O(0)          2.761e-13
-   O2              1.375e-13   1.377e-13   -12.862   -12.861     0.001     (0)  
-   O[18O]          5.487e-16   5.496e-16   -15.261   -15.260     0.001     (0)  
+H(0)          4.246e-40
+   H2              2.123e-40   2.126e-40   -39.673   -39.672     0.001     (0)  
+O(0)          1.841e-13
+   O2              9.167e-14   9.182e-14   -13.038   -13.037     0.001     (0)  
+   O[18O]          3.658e-16   3.664e-16   -15.437   -15.436     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.009  -127.008     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.656  -126.656     0.001     (0)  
 [13C](4)      6.491e-05
    H[13C]O3-       5.236e-05   4.790e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.557e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.557e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.557e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.557e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.557e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.070e-08   6.080e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.570e-08   4.577e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.114e-08   2.181e-08    -7.507    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.633e-10   3.639e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.084e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.306e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.663  -137.663     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.311  -137.310     0.001     (0)  
 [14C](4)      1.448e-15
    H[14C]O3-       1.169e-15   1.070e-15   -14.932   -14.971    -0.039     (0)  
    [14C]O2         2.433e-16   2.437e-16   -15.614   -15.613     0.001     (0)  
    CaH[14C]O3+     2.470e-17   2.265e-17   -16.607   -16.645    -0.037     (0)  
-   H[14C]O2[18O]-   2.333e-18   2.135e-18   -17.632   -17.671    -0.039     (0)  
-   H[14C]O[18O]O-   2.333e-18   2.135e-18   -17.632   -17.671    -0.039     (0)  
    H[14C][18O]O2-   2.333e-18   2.135e-18   -17.632   -17.671    -0.039     (0)  
+   H[14C]O[18O]O-   2.333e-18   2.135e-18   -17.632   -17.671    -0.039     (0)  
+   H[14C]O2[18O]-   2.333e-18   2.135e-18   -17.632   -17.671    -0.039     (0)  
    Ca[14C]O3       1.354e-18   1.356e-18   -17.868   -17.868     0.001     (0)  
    [14C]O[18O]     1.012e-18   1.014e-18   -17.995   -17.994     0.001     (0)  
    [14C]O3-2       6.945e-19   4.865e-19   -18.158   -18.313    -0.155     (0)  
    CaH[14C]O2[18O]+   4.927e-20   4.520e-20   -19.307   -19.345    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.927e-20   4.520e-20   -19.307   -19.345    -0.037     (0)  
    CaH[14C][18O]O2+   4.927e-20   4.520e-20   -19.307   -19.345    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.927e-20   4.520e-20   -19.307   -19.345    -0.037     (0)  
    Ca[14C]O2[18O]   8.103e-21   8.117e-21   -20.091   -20.091     0.001     (0)  
    H[14C]O[18O]2-   4.655e-21   4.259e-21   -20.332   -20.371    -0.039     (0)  
    H[14C][18O]2O-   4.655e-21   4.259e-21   -20.332   -20.371    -0.039     (0)  
@@ -34864,29 +34854,29 @@ O(0)          2.761e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.498e-16
-   O[18O]          5.487e-16   5.496e-16   -15.261   -15.260     0.001     (0)  
-   [18O]2          5.473e-19   5.482e-19   -18.262   -18.261     0.001     (0)  
+[18O](0)      3.665e-16
+   O[18O]          3.658e-16   3.664e-16   -15.437   -15.436     0.001     (0)  
+   [18O]2          3.649e-19   3.655e-19   -18.438   -18.437     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.15   -127.01   -2.86  [13C]H4
+  [13C]H4(g)     -123.80   -126.66   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.51    -21.01   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.80   -137.66   -2.86  [14C]H4
+  [14C]H4(g)     -134.45   -137.31   -2.86  [14C]H4
   [14C]O2(g)      -14.14    -15.61   -1.47  [14C]O2
   [14C]O[18O](g)  -16.53    -18.31   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.97    -18.26   -2.29  [18O]2
+  [18O]2(g)       -16.15    -18.44   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -34900,14 +34890,14 @@ O(0)          2.761e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.19   -125.05   -2.86  CH4
+  CH4(g)         -121.84   -124.70   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.52    -39.67   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.97    -12.86   -2.89  O2
-  O[18O](g)       -12.67    -15.56   -2.89  O[18O]
+  O2(g)           -10.14    -13.04   -2.89  O2
+  O[18O](g)       -12.84    -15.74   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -34971,23 +34961,23 @@ Calcite                                     1.11e-02
 
      R(18O)              	 1.99519e-03	        -4.9925  permil    
      R(13C)              	 1.11167e-02	        -5.6794  permil    
-     R(14C)              	 2.40566e-13	         20.458  pmc       
+     R(14C)              	 2.40568e-13	         20.458  pmc       
      R(18O) H2O(l)       	 1.99519e-03	         -4.994  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	         -4.994  permil    
      R(13C) CO2(aq)      	 1.10371e-02	        -12.795  permil    
-     R(14C) CO2(aq)      	 2.37133e-13	         20.166  pmc       
+     R(14C) CO2(aq)      	 2.37135e-13	         20.166  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	         -4.994  permil    
      R(13C) HCO3-        	 1.11332e-02	        -4.2068  permil    
-     R(14C) HCO3-        	 2.41277e-13	         20.519  pmc       
+     R(14C) HCO3-        	 2.41279e-13	         20.519  pmc       
      R(18O) CO3-2        	 1.99519e-03	         -4.994  permil    
      R(13C) CO3-2        	 1.11172e-02	        -5.6359  permil    
-     R(14C) CO3-2        	 2.40585e-13	          20.46  pmc       
+     R(14C) CO3-2        	 2.40587e-13	          20.46  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11552e-02	        -2.2345  permil    
-     R(14C) Calcite      	 2.42234e-13	           20.6  pmc       
+     R(14C) Calcite      	 2.42235e-13	           20.6  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -34997,12 +34987,12 @@ Calcite                                     1.11e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.226e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2758e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6491e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5935e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -35022,14 +35012,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.320      Adjusted to redox equilibrium
+                                       pe  =  11.273      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -35044,24 +35034,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.074  -125.073     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.700  -124.699     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -35069,23 +35059,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.071e-08   6.081e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.422e-40
-   H2              1.711e-40   1.714e-40   -39.767   -39.766     0.001     (0)  
-O(0)          2.834e-13
-   O2              1.411e-13   1.414e-13   -12.850   -12.850     0.001     (0)  
-   O[18O]          5.631e-16   5.641e-16   -15.249   -15.249     0.001     (0)  
+H(0)          4.245e-40
+   H2              2.122e-40   2.126e-40   -39.673   -39.672     0.001     (0)  
+O(0)          1.842e-13
+   O2              9.173e-14   9.188e-14   -13.038   -13.037     0.001     (0)  
+   O[18O]          3.660e-16   3.666e-16   -15.436   -15.436     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.031  -127.030     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.657  -126.656     0.001     (0)  
 [13C](4)      6.492e-05
    H[13C]O3-       5.237e-05   4.791e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.014e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    H[13C]O[18O]O-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.559e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.071e-08   6.081e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.570e-08   4.578e-08    -7.340    -7.339     0.001     (0)  
@@ -35094,56 +35084,56 @@ O(0)          2.834e-13
    CaH[13C]O[18O]O+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.206e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.634e-10   3.640e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.306e-10    -9.730    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.699  -137.698     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.325  -137.324     0.001     (0)  
 [14C](4)      1.405e-15
    H[14C]O3-       1.135e-15   1.038e-15   -14.945   -14.984    -0.039     (0)  
    [14C]O2         2.361e-16   2.365e-16   -15.627   -15.626     0.001     (0)  
-   CaH[14C]O3+     2.396e-17   2.198e-17   -16.620   -16.658    -0.037     (0)  
-   H[14C]O2[18O]-   2.264e-18   2.072e-18   -17.645   -17.684    -0.039     (0)  
-   H[14C]O[18O]O-   2.264e-18   2.072e-18   -17.645   -17.684    -0.039     (0)  
+   CaH[14C]O3+     2.397e-17   2.198e-17   -16.620   -16.658    -0.037     (0)  
    H[14C][18O]O2-   2.264e-18   2.072e-18   -17.645   -17.684    -0.039     (0)  
+   H[14C]O[18O]O-   2.264e-18   2.072e-18   -17.645   -17.684    -0.039     (0)  
+   H[14C]O2[18O]-   2.264e-18   2.072e-18   -17.645   -17.684    -0.039     (0)  
    Ca[14C]O3       1.314e-18   1.316e-18   -17.881   -17.881     0.001     (0)  
    [14C]O[18O]     9.820e-19   9.836e-19   -18.008   -18.007     0.001     (0)  
    [14C]O3-2       6.739e-19   4.721e-19   -18.171   -18.326    -0.155     (0)  
    CaH[14C]O2[18O]+   4.781e-20   4.386e-20   -19.320   -19.358    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.781e-20   4.386e-20   -19.320   -19.358    -0.037     (0)  
    CaH[14C][18O]O2+   4.781e-20   4.386e-20   -19.320   -19.358    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.781e-20   4.386e-20   -19.320   -19.358    -0.037     (0)  
    Ca[14C]O2[18O]   7.864e-21   7.877e-21   -20.104   -20.104     0.001     (0)  
-   H[14C]O[18O]2-   4.518e-21   4.133e-21   -20.345   -20.384    -0.039     (0)  
    H[14C][18O]2O-   4.518e-21   4.133e-21   -20.345   -20.384    -0.039     (0)  
    H[14C][18O]O[18O]-   4.518e-21   4.133e-21   -20.345   -20.384    -0.039     (0)  
+   H[14C]O[18O]2-   4.518e-21   4.133e-21   -20.345   -20.384    -0.039     (0)  
    [14C]O2[18O]-2   4.034e-21   2.826e-21   -20.394   -20.549    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.643e-16
-   O[18O]          5.631e-16   5.641e-16   -15.249   -15.249     0.001     (0)  
-   [18O]2          5.618e-19   5.627e-19   -18.250   -18.250     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      3.667e-16
+   O[18O]          3.660e-16   3.666e-16   -15.436   -15.436     0.001     (0)  
+   [18O]2          3.651e-19   3.657e-19   -18.438   -18.437     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.17   -127.03   -2.86  [13C]H4
+  [13C]H4(g)     -123.80   -126.66   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.52    -21.03   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.84   -137.70   -2.86  [14C]H4
+  [14C]H4(g)     -134.46   -137.32   -2.86  [14C]H4
   [14C]O2(g)      -14.16    -15.63   -1.47  [14C]O2
   [14C]O[18O](g)  -16.54    -18.33   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.15    -18.44   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -35157,14 +35147,14 @@ O(0)          2.834e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -121.84   -124.70   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.52    -39.67   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.14    -13.04   -2.89  O2
+  O[18O](g)       -12.84    -15.74   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -35228,23 +35218,23 @@ Calcite                                     1.16e-02
 
      R(18O)              	 1.99519e-03	        -4.9923  permil    
      R(13C)              	 1.11181e-02	        -5.5563  permil    
-     R(14C)              	 2.33655e-13	         19.871  pmc       
+     R(14C)              	 2.33657e-13	         19.871  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9939  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9939  permil    
      R(13C) CO2(aq)      	 1.10385e-02	        -12.673  permil    
-     R(14C) CO2(aq)      	 2.30320e-13	         19.587  pmc       
+     R(14C) CO2(aq)      	 2.30322e-13	         19.587  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9939  permil    
      R(13C) HCO3-        	 1.11345e-02	        -4.0835  permil    
-     R(14C) HCO3-        	 2.34345e-13	         19.929  pmc       
+     R(14C) HCO3-        	 2.34347e-13	         19.929  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9939  permil    
      R(13C) CO3-2        	 1.11186e-02	        -5.5127  permil    
-     R(14C) CO3-2        	 2.33673e-13	         19.872  pmc       
+     R(14C) CO3-2        	 2.33675e-13	         19.872  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.652  permil    
      R(13C) Calcite      	 1.11566e-02	        -2.1109  permil    
-     R(14C) Calcite      	 2.35275e-13	         20.008  pmc       
+     R(14C) Calcite      	 2.35276e-13	         20.008  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -35254,12 +35244,12 @@ Calcite                                     1.16e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2243e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2419e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.7724e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6718e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6163e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -35279,14 +35269,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.321      Adjusted to redox equilibrium
+                                       pe  =  11.262      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -35301,14 +35291,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.082  -125.081     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.606  -124.606     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -35316,9 +35306,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -35326,81 +35316,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.072e-08   6.082e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.407e-40
-   H2              1.703e-40   1.706e-40   -39.769   -39.768     0.001     (0)  
-O(0)          2.860e-13
-   O2              1.424e-13   1.426e-13   -12.846   -12.846     0.001     (0)  
-   O[18O]          5.683e-16   5.692e-16   -15.245   -15.245     0.001     (0)  
+H(0)          4.479e-40
+   H2              2.239e-40   2.243e-40   -39.650   -39.649     0.001     (0)  
+O(0)          1.654e-13
+   O2              8.238e-14   8.251e-14   -13.084   -13.083     0.001     (0)  
+   O[18O]          3.287e-16   3.293e-16   -15.483   -15.482     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.039  -127.038     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.563  -126.563     0.001     (0)  
 [13C](4)      6.493e-05
    H[13C]O3-       5.237e-05   4.791e-05    -4.281    -4.320    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.045e-07   9.560e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.560e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.560e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.560e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.072e-08   6.082e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.571e-08   4.579e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.115e-08   2.182e-08    -7.507    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.634e-10   3.640e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.907e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.306e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.719  -137.719     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.244  -137.243     0.001     (0)  
 [14C](4)      1.365e-15
    H[14C]O3-       1.102e-15   1.008e-15   -14.958   -14.996    -0.039     (0)  
    [14C]O2         2.294e-16   2.297e-16   -15.639   -15.639     0.001     (0)  
    CaH[14C]O3+     2.328e-17   2.135e-17   -16.633   -16.671    -0.037     (0)  
-   H[14C]O2[18O]-   2.199e-18   2.012e-18   -17.658   -17.696    -0.039     (0)  
-   H[14C]O[18O]O-   2.199e-18   2.012e-18   -17.658   -17.696    -0.039     (0)  
    H[14C][18O]O2-   2.199e-18   2.012e-18   -17.658   -17.696    -0.039     (0)  
+   H[14C]O[18O]O-   2.199e-18   2.012e-18   -17.658   -17.696    -0.039     (0)  
+   H[14C]O2[18O]-   2.199e-18   2.012e-18   -17.658   -17.696    -0.039     (0)  
    Ca[14C]O3       1.276e-18   1.278e-18   -17.894   -17.893     0.001     (0)  
-   [14C]O[18O]     9.537e-19   9.553e-19   -18.021   -18.020     0.001     (0)  
+   [14C]O[18O]     9.538e-19   9.553e-19   -18.021   -18.020     0.001     (0)  
    [14C]O3-2       6.546e-19   4.586e-19   -18.184   -18.339    -0.155     (0)  
    CaH[14C]O2[18O]+   4.644e-20   4.260e-20   -19.333   -19.371    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.644e-20   4.260e-20   -19.333   -19.371    -0.037     (0)  
    CaH[14C][18O]O2+   4.644e-20   4.260e-20   -19.333   -19.371    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.644e-20   4.260e-20   -19.333   -19.371    -0.037     (0)  
    Ca[14C]O2[18O]   7.638e-21   7.650e-21   -20.117   -20.116     0.001     (0)  
+   H[14C][18O]O[18O]-   4.388e-21   4.014e-21   -20.358   -20.396    -0.039     (0)  
    H[14C]O[18O]2-   4.388e-21   4.014e-21   -20.358   -20.396    -0.039     (0)  
    H[14C][18O]2O-   4.388e-21   4.014e-21   -20.358   -20.396    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.388e-21   4.014e-21   -20.358   -20.396    -0.039     (0)  
    [14C]O2[18O]-2   3.918e-21   2.745e-21   -20.407   -20.561    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.694e-16
-   O[18O]          5.683e-16   5.692e-16   -15.245   -15.245     0.001     (0)  
-   [18O]2          5.669e-19   5.678e-19   -18.247   -18.246     0.001     (0)  
+[18O](0)      3.294e-16
+   O[18O]          3.287e-16   3.293e-16   -15.483   -15.482     0.001     (0)  
+   [18O]2          3.279e-19   3.285e-19   -18.484   -18.484     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.86    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.18   -127.04   -2.86  [13C]H4
+  [13C]H4(g)     -123.70   -126.56   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.54    -21.04   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.86   -137.72   -2.86  [14C]H4
+  [14C]H4(g)     -134.38   -137.24   -2.86  [14C]H4
   [14C]O2(g)      -14.17    -15.64   -1.47  [14C]O2
   [14C]O[18O](g)  -16.55    -18.34   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -35414,14 +35404,14 @@ O(0)          2.860e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.22   -125.08   -2.86  CH4
+  CH4(g)         -121.75   -124.61   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.50    -39.65   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.95    -12.85   -2.89  O2
-  O[18O](g)       -12.65    -15.55   -2.89  O[18O]
+  O2(g)           -10.19    -13.08   -2.89  O2
+  O[18O](g)       -12.89    -15.78   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -35485,23 +35475,23 @@ Calcite                                     1.21e-02
 
      R(18O)              	 1.99519e-03	        -4.9922  permil    
      R(13C)              	 1.11194e-02	          -5.44  permil    
-     R(14C)              	 2.27130e-13	         19.316  pmc       
+     R(14C)              	 2.27132e-13	         19.316  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9937  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9937  permil    
      R(13C) CO2(aq)      	 1.10398e-02	        -12.558  permil    
-     R(14C) CO2(aq)      	 2.23888e-13	          19.04  pmc       
+     R(14C) CO2(aq)      	 2.23890e-13	          19.04  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9937  permil    
      R(13C) HCO3-        	 1.11358e-02	         -3.967  permil    
-     R(14C) HCO3-        	 2.27801e-13	         19.373  pmc       
+     R(14C) HCO3-        	 2.27802e-13	         19.373  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9937  permil    
      R(13C) CO3-2        	 1.11199e-02	        -5.3964  permil    
-     R(14C) CO3-2        	 2.27148e-13	         19.317  pmc       
+     R(14C) CO3-2        	 2.27149e-13	         19.317  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11579e-02	        -1.9942  permil    
-     R(14C) Calcite      	 2.28704e-13	          19.45  pmc       
+     R(14C) Calcite      	 2.28706e-13	          19.45  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -35511,12 +35501,12 @@ Calcite                                     1.21e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.253e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2723e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6643e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6119e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -35536,14 +35526,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.317      Adjusted to redox equilibrium
+                                       pe  =  11.260      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -35558,24 +35548,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.049  -125.049     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.589  -124.588     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -35583,50 +35573,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.072e-08   6.082e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.471e-40
-   H2              1.735e-40   1.738e-40   -39.761   -39.760     0.001     (0)  
-O(0)          2.755e-13
-   O2              1.372e-13   1.374e-13   -12.863   -12.862     0.001     (0)  
-   O[18O]          5.474e-16   5.483e-16   -15.262   -15.261     0.001     (0)  
+H(0)          4.525e-40
+   H2              2.262e-40   2.266e-40   -39.645   -39.645     0.001     (0)  
+O(0)          1.621e-13
+   O2              8.072e-14   8.085e-14   -13.093   -13.092     0.001     (0)  
+   O[18O]          3.221e-16   3.226e-16   -15.492   -15.491     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.006  -127.006     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.546  -126.545     0.001     (0)  
 [13C](4)      6.494e-05
    H[13C]O3-       5.238e-05   4.792e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.561e-08    -6.981    -7.020    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.561e-08    -6.981    -7.020    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.561e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.561e-08    -6.981    -7.020    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.561e-08    -6.981    -7.020    -0.039     (0)  
    Ca[13C]O3       6.072e-08   6.082e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.572e-08   4.579e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.115e-08   2.182e-08    -7.507    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.207e-09   2.024e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.635e-10   3.641e-10    -9.440    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.720    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.720    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.908e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.720    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.720    -0.039     (0)  
    [13C]O2[18O]-2   1.864e-10   1.306e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.699  -137.699     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.239  -137.238     0.001     (0)  
 [14C](4)      1.326e-15
    H[14C]O3-       1.071e-15   9.803e-16   -14.970   -15.009    -0.039     (0)  
    [14C]O2         2.230e-16   2.233e-16   -15.652   -15.651     0.001     (0)  
    CaH[14C]O3+     2.263e-17   2.076e-17   -16.645   -16.683    -0.037     (0)  
-   H[14C]O2[18O]-   2.138e-18   1.956e-18   -17.670   -17.709    -0.039     (0)  
-   H[14C]O[18O]O-   2.138e-18   1.956e-18   -17.670   -17.709    -0.039     (0)  
    H[14C][18O]O2-   2.138e-18   1.956e-18   -17.670   -17.709    -0.039     (0)  
+   H[14C]O[18O]O-   2.138e-18   1.956e-18   -17.670   -17.709    -0.039     (0)  
+   H[14C]O2[18O]-   2.138e-18   1.956e-18   -17.670   -17.709    -0.039     (0)  
    Ca[14C]O3       1.240e-18   1.242e-18   -17.906   -17.906     0.001     (0)  
    [14C]O[18O]     9.271e-19   9.286e-19   -18.033   -18.032     0.001     (0)  
    [14C]O3-2       6.363e-19   4.458e-19   -18.196   -18.351    -0.155     (0)  
    CaH[14C]O2[18O]+   4.514e-20   4.141e-20   -19.345   -19.383    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.514e-20   4.141e-20   -19.345   -19.383    -0.037     (0)  
    CaH[14C][18O]O2+   4.514e-20   4.141e-20   -19.345   -19.383    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.514e-20   4.141e-20   -19.345   -19.383    -0.037     (0)  
    Ca[14C]O2[18O]   7.424e-21   7.437e-21   -20.129   -20.129     0.001     (0)  
    H[14C]O[18O]2-   4.265e-21   3.902e-21   -20.370   -20.409    -0.039     (0)  
    H[14C][18O]2O-   4.265e-21   3.902e-21   -20.370   -20.409    -0.039     (0)  
@@ -35635,29 +35625,29 @@ O(0)          2.755e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.485e-16
-   O[18O]          5.474e-16   5.483e-16   -15.262   -15.261     0.001     (0)  
-   [18O]2          5.461e-19   5.470e-19   -18.263   -18.262     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      3.228e-16
+   O[18O]          3.221e-16   3.226e-16   -15.492   -15.491     0.001     (0)  
+   [18O]2          3.213e-19   3.219e-19   -18.493   -18.492     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.15   -127.01   -2.86  [13C]H4
+  [13C]H4(g)     -123.69   -126.55   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.55    -21.05   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.84   -137.70   -2.86  [14C]H4
+  [14C]H4(g)     -134.38   -137.24   -2.86  [14C]H4
   [14C]O2(g)      -14.18    -15.65   -1.47  [14C]O2
   [14C]O[18O](g)  -16.56    -18.35   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.97    -18.26   -2.29  [18O]2
+  [18O]2(g)       -16.20    -18.49   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -35671,14 +35661,14 @@ O(0)          2.755e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.19   -125.05   -2.86  CH4
+  CH4(g)         -121.73   -124.59   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.49    -39.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.97    -12.86   -2.89  O2
-  O[18O](g)       -12.67    -15.56   -2.89  O[18O]
+  O2(g)           -10.20    -13.09   -2.89  O2
+  O[18O](g)       -12.90    -15.79   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -35742,23 +35732,23 @@ Calcite                                     1.26e-02
 
      R(18O)              	 1.99519e-03	        -4.9921  permil    
      R(13C)              	 1.11206e-02	        -5.3301  permil    
-     R(14C)              	 2.20960e-13	         18.791  pmc       
+     R(14C)              	 2.20961e-13	         18.791  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9936  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9936  permil    
      R(13C) CO2(aq)      	 1.10410e-02	        -12.448  permil    
-     R(14C) CO2(aq)      	 2.17806e-13	         18.523  pmc       
+     R(14C) CO2(aq)      	 2.17807e-13	         18.523  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9936  permil    
      R(13C) HCO3-        	 1.11371e-02	        -3.8569  permil    
-     R(14C) HCO3-        	 2.21612e-13	         18.846  pmc       
+     R(14C) HCO3-        	 2.21614e-13	         18.846  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9936  permil    
      R(13C) CO3-2        	 1.11211e-02	        -5.2865  permil    
-     R(14C) CO3-2        	 2.20977e-13	         18.792  pmc       
+     R(14C) CO3-2        	 2.20978e-13	         18.792  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11591e-02	        -1.8839  permil    
-     R(14C) Calcite      	 2.22491e-13	         18.921  pmc       
+     R(14C) Calcite      	 2.22492e-13	         18.921  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -35768,12 +35758,12 @@ Calcite                                     1.26e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2486e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2669e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6257e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7769e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -35793,14 +35783,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.301      Adjusted to redox equilibrium
+                                       pe  =  11.258      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -35815,13 +35805,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.919  -124.918     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.573  -124.572     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.933e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -35830,9 +35820,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -35840,23 +35830,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.073e-08   6.083e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.742e-40
-   H2              1.871e-40   1.874e-40   -39.728   -39.727     0.001     (0)  
-O(0)          2.370e-13
-   O2              1.180e-13   1.182e-13   -12.928   -12.927     0.001     (0)  
-   O[18O]          4.710e-16   4.718e-16   -15.327   -15.326     0.001     (0)  
+H(0)          4.565e-40
+   H2              2.283e-40   2.286e-40   -39.642   -39.641     0.001     (0)  
+O(0)          1.592e-13
+   O2              7.929e-14   7.942e-14   -13.101   -13.100     0.001     (0)  
+   O[18O]          3.164e-16   3.169e-16   -15.500   -15.499     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.876  -126.875     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.530  -126.529     0.001     (0)  
 [13C](4)      6.494e-05
    H[13C]O3-       5.238e-05   4.793e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.099e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.562e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.073e-08   6.083e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.572e-08   4.580e-08    -7.340    -7.339     0.001     (0)  
@@ -35865,56 +35855,56 @@ O(0)          2.370e-13
    CaH[13C]O[18O]O+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.635e-10   3.641e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.085e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.306e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.581  -137.580     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.235  -137.234     0.001     (0)  
 [14C](4)      1.290e-15
    H[14C]O3-       1.042e-15   9.536e-16   -14.982   -15.021    -0.039     (0)  
    [14C]O2         2.169e-16   2.173e-16   -15.664   -15.663     0.001     (0)  
    CaH[14C]O3+     2.201e-17   2.019e-17   -16.657   -16.695    -0.037     (0)  
-   H[14C]O2[18O]-   2.080e-18   1.903e-18   -17.682   -17.721    -0.039     (0)  
-   H[14C]O[18O]O-   2.080e-18   1.903e-18   -17.682   -17.721    -0.039     (0)  
    H[14C][18O]O2-   2.080e-18   1.903e-18   -17.682   -17.721    -0.039     (0)  
+   H[14C]O[18O]O-   2.080e-18   1.903e-18   -17.682   -17.721    -0.039     (0)  
+   H[14C]O2[18O]-   2.080e-18   1.903e-18   -17.682   -17.721    -0.039     (0)  
    Ca[14C]O3       1.207e-18   1.209e-18   -17.918   -17.918     0.001     (0)  
    [14C]O[18O]     9.019e-19   9.034e-19   -18.045   -18.044     0.001     (0)  
    [14C]O3-2       6.190e-19   4.336e-19   -18.208   -18.363    -0.155     (0)  
    CaH[14C]O2[18O]+   4.392e-20   4.029e-20   -19.357   -19.395    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.392e-20   4.029e-20   -19.357   -19.395    -0.037     (0)  
    CaH[14C][18O]O2+   4.392e-20   4.029e-20   -19.357   -19.395    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.392e-20   4.029e-20   -19.357   -19.395    -0.037     (0)  
    Ca[14C]O2[18O]   7.223e-21   7.235e-21   -20.141   -20.141     0.001     (0)  
-   H[14C]O[18O]2-   4.149e-21   3.796e-21   -20.382   -20.421    -0.039     (0)  
    H[14C][18O]2O-   4.149e-21   3.796e-21   -20.382   -20.421    -0.039     (0)  
    H[14C][18O]O[18O]-   4.149e-21   3.796e-21   -20.382   -20.421    -0.039     (0)  
+   H[14C]O[18O]2-   4.149e-21   3.796e-21   -20.382   -20.421    -0.039     (0)  
    [14C]O2[18O]-2   3.705e-21   2.596e-21   -20.431   -20.586    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.719e-16
-   O[18O]          4.710e-16   4.718e-16   -15.327   -15.326     0.001     (0)  
-   [18O]2          4.699e-19   4.706e-19   -18.328   -18.327     0.001     (0)  
+[18O](0)      3.170e-16
+   O[18O]          3.164e-16   3.169e-16   -15.500   -15.499     0.001     (0)  
+   [18O]2          3.156e-19   3.162e-19   -18.501   -18.500     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.02   -126.88   -2.86  [13C]H4
+  [13C]H4(g)     -123.67   -126.53   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.56    -21.06   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.72   -137.58   -2.86  [14C]H4
+  [14C]H4(g)     -134.37   -137.23   -2.86  [14C]H4
   [14C]O2(g)      -14.19    -15.66   -1.47  [14C]O2
   [14C]O[18O](g)  -16.58    -18.36   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.04    -18.33   -2.29  [18O]2
+  [18O]2(g)       -16.21    -18.50   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -35928,14 +35918,14 @@ O(0)          2.370e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.06   -124.92   -2.86  CH4
+  CH4(g)         -121.71   -124.57   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.58    -39.73   -3.15  H2
+  H2(g)           -36.49    -39.64   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.03    -12.93   -2.89  O2
-  O[18O](g)       -12.73    -15.63   -2.89  O[18O]
+  O2(g)           -10.21    -13.10   -2.89  O2
+  O[18O](g)       -12.91    -15.80   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -35999,23 +35989,23 @@ Calcite                                     1.31e-02
 
      R(18O)              	 1.99519e-03	        -4.9919  permil    
      R(13C)              	 1.11218e-02	        -5.2259  permil    
-     R(14C)              	 2.15115e-13	         18.294  pmc       
+     R(14C)              	 2.15117e-13	         18.294  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9934  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.014  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9934  permil    
      R(13C) CO2(aq)      	 1.10422e-02	        -12.345  permil    
-     R(14C) CO2(aq)      	 2.12045e-13	         18.033  pmc       
+     R(14C) CO2(aq)      	 2.12047e-13	         18.033  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	          36.88  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9934  permil    
      R(13C) HCO3-        	 1.11382e-02	        -3.7526  permil    
-     R(14C) HCO3-        	 2.15751e-13	         18.348  pmc       
+     R(14C) HCO3-        	 2.15752e-13	         18.348  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9934  permil    
      R(13C) CO3-2        	 1.11223e-02	        -5.1823  permil    
-     R(14C) CO3-2        	 2.15132e-13	         18.295  pmc       
+     R(14C) CO3-2        	 2.15133e-13	         18.295  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11603e-02	        -1.7794  permil    
-     R(14C) Calcite      	 2.16606e-13	         18.421  pmc       
+     R(14C) Calcite      	 2.16608e-13	         18.421  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -36025,12 +36015,12 @@ Calcite                                     1.31e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2766e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2947e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7346e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6793e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -36050,14 +36040,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.300      Adjusted to redox equilibrium
+                                       pe  =  11.228      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -36072,24 +36062,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.910  -124.909     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.336  -124.335     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -36097,81 +36087,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.074e-08   6.084e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.760e-40
-   H2              1.880e-40   1.883e-40   -39.726   -39.725     0.001     (0)  
-O(0)          2.347e-13
-   O2              1.169e-13   1.171e-13   -12.932   -12.932     0.001     (0)  
-   O[18O]          4.663e-16   4.671e-16   -15.331   -15.331     0.001     (0)  
+H(0)          5.233e-40
+   H2              2.617e-40   2.621e-40   -39.582   -39.582     0.001     (0)  
+O(0)          1.212e-13
+   O2              6.035e-14   6.044e-14   -13.219   -13.219     0.001     (0)  
+   O[18O]          2.408e-16   2.412e-16   -15.618   -15.618     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.867  -126.866     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.293  -126.292     0.001     (0)  
 [13C](4)      6.495e-05
    H[13C]O3-       5.239e-05   4.793e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.101e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    H[13C]O2[18O]-   1.045e-07   9.563e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.563e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.563e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.563e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.074e-08   6.084e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.573e-08   4.580e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.116e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.207e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.635e-10   3.641e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.306e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.584  -137.583     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.010  -137.009     0.001     (0)  
 [14C](4)      1.256e-15
    H[14C]O3-       1.015e-15   9.284e-16   -14.994   -15.032    -0.039     (0)  
    [14C]O2         2.112e-16   2.115e-16   -15.675   -15.675     0.001     (0)  
    CaH[14C]O3+     2.143e-17   1.966e-17   -16.669   -16.706    -0.037     (0)  
-   H[14C]O2[18O]-   2.025e-18   1.852e-18   -17.694   -17.732    -0.039     (0)  
-   H[14C]O[18O]O-   2.025e-18   1.852e-18   -17.694   -17.732    -0.039     (0)  
    H[14C][18O]O2-   2.025e-18   1.852e-18   -17.694   -17.732    -0.039     (0)  
+   H[14C]O[18O]O-   2.025e-18   1.852e-18   -17.694   -17.732    -0.039     (0)  
+   H[14C]O2[18O]-   2.025e-18   1.852e-18   -17.694   -17.732    -0.039     (0)  
    Ca[14C]O3       1.175e-18   1.177e-18   -17.930   -17.929     0.001     (0)  
    [14C]O[18O]     8.781e-19   8.795e-19   -18.056   -18.056     0.001     (0)  
    [14C]O3-2       6.026e-19   4.222e-19   -18.220   -18.375    -0.155     (0)  
    CaH[14C]O2[18O]+   4.276e-20   3.922e-20   -19.369   -19.406    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.276e-20   3.922e-20   -19.369   -19.406    -0.037     (0)  
    CaH[14C][18O]O2+   4.276e-20   3.922e-20   -19.369   -19.406    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.276e-20   3.922e-20   -19.369   -19.406    -0.037     (0)  
    Ca[14C]O2[18O]   7.032e-21   7.043e-21   -20.153   -20.152     0.001     (0)  
+   H[14C][18O]O[18O]-   4.040e-21   3.696e-21   -20.394   -20.432    -0.039     (0)  
    H[14C]O[18O]2-   4.040e-21   3.696e-21   -20.394   -20.432    -0.039     (0)  
    H[14C][18O]2O-   4.040e-21   3.696e-21   -20.394   -20.432    -0.039     (0)  
-   H[14C][18O]O[18O]-   4.040e-21   3.696e-21   -20.394   -20.432    -0.039     (0)  
    [14C]O2[18O]-2   3.607e-21   2.527e-21   -20.443   -20.597    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.673e-16
-   O[18O]          4.663e-16   4.671e-16   -15.331   -15.331     0.001     (0)  
-   [18O]2          4.652e-19   4.660e-19   -18.332   -18.332     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.413e-16
+   O[18O]          2.408e-16   2.412e-16   -15.618   -15.618     0.001     (0)  
+   [18O]2          2.402e-19   2.406e-19   -18.619   -18.619     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.01   -126.87   -2.86  [13C]H4
+  [13C]H4(g)     -123.43   -126.29   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.57    -21.07   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.72   -137.58   -2.86  [14C]H4
+  [14C]H4(g)     -134.15   -137.01   -2.86  [14C]H4
   [14C]O2(g)      -14.21    -15.67   -1.47  [14C]O2
   [14C]O[18O](g)  -16.59    -18.37   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.04    -18.33   -2.29  [18O]2
+  [18O]2(g)       -16.33    -18.62   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -36185,14 +36175,14 @@ O(0)          2.347e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.05   -124.91   -2.86  CH4
+  CH4(g)         -121.48   -124.34   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.58    -39.73   -3.15  H2
+  H2(g)           -36.43    -39.58   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.04    -12.93   -2.89  O2
-  O[18O](g)       -12.74    -15.63   -2.89  O[18O]
+  O2(g)           -10.33    -13.22   -2.89  O2
+  O[18O](g)       -13.03    -15.92   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -36247,7 +36237,7 @@ Calcite                                     1.36e-02
                        Ca[13C][18O]3(s)     1.29e-12     4.76e-14     9.49e-11
                            Ca[14C]O3(s)     2.81e-15     3.21e-17     2.07e-13
                       Ca[14C]O2[18O](s)     1.73e-17     1.98e-19     1.28e-15
-                      Ca[14C]O[18O]2(s)     3.55e-20     4.05e-22     2.62e-18
+                      Ca[14C]O[18O]2(s)     3.55e-20     4.06e-22     2.62e-18
                        Ca[14C][18O]3(s)     2.43e-23     2.77e-25     1.79e-21
 
 --------------------------------Isotope Ratios---------------------------------
@@ -36256,23 +36246,23 @@ Calcite                                     1.36e-02
 
      R(18O)              	 1.99519e-03	        -4.9918  permil    
      R(13C)              	 1.11229e-02	        -5.1271  permil    
-     R(14C)              	 2.09572e-13	         17.822  pmc       
+     R(14C)              	 2.09574e-13	         17.823  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9933  permil    
      R(18O) OH-          	 1.92122e-03	        -41.881  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9933  permil    
      R(13C) CO2(aq)      	 1.10433e-02	        -12.247  permil    
-     R(14C) CO2(aq)      	 2.06581e-13	         17.568  pmc       
+     R(14C) CO2(aq)      	 2.06583e-13	         17.568  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9933  permil    
      R(13C) HCO3-        	 1.11394e-02	        -3.6537  permil    
-     R(14C) HCO3-        	 2.10191e-13	         17.875  pmc       
+     R(14C) HCO3-        	 2.10193e-13	         17.875  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9933  permil    
      R(13C) CO3-2        	 1.11234e-02	        -5.0835  permil    
-     R(14C) CO3-2        	 2.09588e-13	         17.824  pmc       
+     R(14C) CO3-2        	 2.09590e-13	         17.824  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11614e-02	        -1.6802  permil    
-     R(14C) Calcite      	 2.11025e-13	         17.946  pmc       
+     R(14C) Calcite      	 2.11026e-13	         17.946  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -36282,12 +36272,12 @@ Calcite                                     1.36e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2412e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2258e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6772e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7569e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -36307,14 +36297,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.291      Adjusted to redox equilibrium
+                                       pe  =  11.203      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -36329,14 +36319,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.840  -124.839     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.132  -124.131     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -36344,9 +36334,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -36354,51 +36344,51 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.074e-08   6.084e-08    -7.217    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.916e-40
-   H2              1.958e-40   1.961e-40   -39.708   -39.708     0.001     (0)  
-O(0)          2.164e-13
-   O2              1.078e-13   1.080e-13   -12.967   -12.967     0.001     (0)  
-   O[18O]          4.301e-16   4.308e-16   -15.366   -15.366     0.001     (0)  
+H(0)          5.886e-40
+   H2              2.943e-40   2.948e-40   -39.531   -39.530     0.001     (0)  
+O(0)          9.578e-14
+   O2              4.770e-14   4.778e-14   -13.321   -13.321     0.001     (0)  
+   O[18O]          1.903e-16   1.907e-16   -15.720   -15.720     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.797  -126.796     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.089  -126.088     0.001     (0)  
 [13C](4)      6.496e-05
    H[13C]O3-       5.240e-05   4.793e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.106e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.564e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.045e-07   9.564e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.564e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.045e-07   9.564e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.564e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.074e-08   6.084e-08    -7.217    -7.216     0.001     (0)  
    [13C]O[18O]     4.573e-08   4.580e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.116e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O2[18O]+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C]O[18O]O+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
-   CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.636e-10   3.642e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.525  -137.524     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.817  -136.816     0.001     (0)  
 [14C](4)      1.224e-15
    H[14C]O3-       9.887e-16   9.045e-16   -15.005   -15.044    -0.039     (0)  
    [14C]O2         2.057e-16   2.061e-16   -15.687   -15.686     0.001     (0)  
    CaH[14C]O3+     2.088e-17   1.915e-17   -16.680   -16.718    -0.037     (0)  
-   H[14C]O2[18O]-   1.973e-18   1.805e-18   -17.705   -17.744    -0.039     (0)  
-   H[14C]O[18O]O-   1.973e-18   1.805e-18   -17.705   -17.744    -0.039     (0)  
    H[14C][18O]O2-   1.973e-18   1.805e-18   -17.705   -17.744    -0.039     (0)  
-   Ca[14C]O3       1.144e-18   1.146e-18   -17.941   -17.941     0.001     (0)  
-   [14C]O[18O]     8.554e-19   8.568e-19   -18.068   -18.067     0.001     (0)  
+   H[14C]O[18O]O-   1.973e-18   1.805e-18   -17.705   -17.744    -0.039     (0)  
+   H[14C]O2[18O]-   1.973e-18   1.805e-18   -17.705   -17.744    -0.039     (0)  
+   Ca[14C]O3       1.145e-18   1.146e-18   -17.941   -17.941     0.001     (0)  
+   [14C]O[18O]     8.554e-19   8.569e-19   -18.068   -18.067     0.001     (0)  
    [14C]O3-2       5.871e-19   4.113e-19   -18.231   -18.386    -0.155     (0)  
    CaH[14C]O2[18O]+   4.165e-20   3.821e-20   -19.380   -19.418    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.165e-20   3.821e-20   -19.380   -19.418    -0.037     (0)  
    CaH[14C][18O]O2+   4.165e-20   3.821e-20   -19.380   -19.418    -0.037     (0)  
-   Ca[14C]O2[18O]   6.850e-21   6.862e-21   -20.164   -20.164     0.001     (0)  
+   CaH[14C]O[18O]O+   4.165e-20   3.821e-20   -19.380   -19.418    -0.037     (0)  
+   Ca[14C]O2[18O]   6.851e-21   6.862e-21   -20.164   -20.164     0.001     (0)  
    H[14C]O[18O]2-   3.936e-21   3.601e-21   -20.405   -20.444    -0.039     (0)  
    H[14C][18O]2O-   3.936e-21   3.601e-21   -20.405   -20.444    -0.039     (0)  
    H[14C][18O]O[18O]-   3.936e-21   3.601e-21   -20.405   -20.444    -0.039     (0)  
@@ -36406,29 +36396,29 @@ O(0)          2.164e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.310e-16
-   O[18O]          4.301e-16   4.308e-16   -15.366   -15.366     0.001     (0)  
-   [18O]2          4.291e-19   4.298e-19   -18.367   -18.367     0.001     (0)  
+[18O](0)      1.907e-16
+   O[18O]          1.903e-16   1.907e-16   -15.720   -15.720     0.001     (0)  
+   [18O]2          1.899e-19   1.902e-19   -18.722   -18.721     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.94   -126.80   -2.86  [13C]H4
+  [13C]H4(g)     -123.23   -126.09   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.58    -21.09   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.66   -137.52   -2.86  [14C]H4
+  [14C]H4(g)     -133.96   -136.82   -2.86  [14C]H4
   [14C]O2(g)      -14.22    -15.69   -1.47  [14C]O2
   [14C]O[18O](g)  -16.60    -18.39   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.08    -18.37   -2.29  [18O]2
+  [18O]2(g)       -16.43    -18.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -36442,14 +36432,14 @@ O(0)          2.164e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.98   -124.84   -2.86  CH4
+  CH4(g)         -121.27   -124.13   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.38    -39.53   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.07    -12.97   -2.89  O2
-  O[18O](g)       -12.77    -15.67   -2.89  O[18O]
+  O2(g)           -10.43    -13.32   -2.89  O2
+  O[18O](g)       -13.13    -16.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -36513,23 +36503,23 @@ Calcite                                     1.41e-02
 
      R(18O)              	 1.99519e-03	        -4.9916  permil    
      R(13C)              	 1.11239e-02	        -5.0333  permil    
-     R(14C)              	 2.04308e-13	         17.375  pmc       
+     R(14C)              	 2.04309e-13	         17.375  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9932  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9932  permil    
      R(13C) CO2(aq)      	 1.10443e-02	        -12.154  permil    
-     R(14C) CO2(aq)      	 2.01392e-13	         17.127  pmc       
+     R(14C) CO2(aq)      	 2.01393e-13	         17.127  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9932  permil    
      R(13C) HCO3-        	 1.11404e-02	        -3.5597  permil    
-     R(14C) HCO3-        	 2.04911e-13	         17.426  pmc       
+     R(14C) HCO3-        	 2.04913e-13	         17.426  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9932  permil    
      R(13C) CO3-2        	 1.11244e-02	        -4.9897  permil    
-     R(14C) CO3-2        	 2.04324e-13	         17.376  pmc       
+     R(14C) CO3-2        	 2.04325e-13	         17.376  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11625e-02	        -1.5861  permil    
-     R(14C) Calcite      	 2.05724e-13	         17.495  pmc       
+     R(14C) Calcite      	 2.05725e-13	         17.495  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -36539,12 +36529,12 @@ Calcite                                     1.41e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2704e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2564e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.717e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7297e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -36564,14 +36554,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.294      Adjusted to redox equilibrium
+                                       pe  =  11.201      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -36586,24 +36576,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.862  -124.861     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.119  -124.119     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -36611,23 +36601,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.866e-40
-   H2              1.933e-40   1.936e-40   -39.714   -39.713     0.001     (0)  
-O(0)          2.220e-13
-   O2              1.106e-13   1.108e-13   -12.956   -12.956     0.001     (0)  
-   O[18O]          4.412e-16   4.419e-16   -15.355   -15.355     0.001     (0)  
+H(0)          5.928e-40
+   H2              2.964e-40   2.969e-40   -39.528   -39.527     0.001     (0)  
+O(0)          9.442e-14
+   O2              4.702e-14   4.710e-14   -13.328   -13.327     0.001     (0)  
+   O[18O]          1.876e-16   1.879e-16   -15.727   -15.726     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.819  -126.818     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.076  -126.075     0.001     (0)  
 [13C](4)      6.496e-05
    H[13C]O3-       5.240e-05   4.794e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.994    -0.037     (0)  
-   H[13C]O2[18O]-   1.045e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.045e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.045e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.045e-07   9.565e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.573e-08   4.581e-08    -7.340    -7.339     0.001     (0)  
@@ -36636,56 +36626,56 @@ O(0)          2.220e-13
    CaH[13C]O[18O]O+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.694    -0.037     (0)  
    Ca[13C]O2[18O]   3.636e-10   3.642e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.908e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.558  -137.557     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.815  -136.815     0.001     (0)  
 [14C](4)      1.193e-15
    H[14C]O3-       9.638e-16   8.818e-16   -15.016   -15.055    -0.039     (0)  
    [14C]O2         2.006e-16   2.009e-16   -15.698   -15.697     0.001     (0)  
    CaH[14C]O3+     2.035e-17   1.867e-17   -16.691   -16.729    -0.037     (0)  
-   H[14C]O2[18O]-   1.923e-18   1.759e-18   -17.716   -17.755    -0.039     (0)  
-   H[14C]O[18O]O-   1.923e-18   1.759e-18   -17.716   -17.755    -0.039     (0)  
    H[14C][18O]O2-   1.923e-18   1.759e-18   -17.716   -17.755    -0.039     (0)  
+   H[14C]O[18O]O-   1.923e-18   1.759e-18   -17.716   -17.755    -0.039     (0)  
+   H[14C]O2[18O]-   1.923e-18   1.759e-18   -17.716   -17.755    -0.039     (0)  
    Ca[14C]O3       1.116e-18   1.118e-18   -17.952   -17.952     0.001     (0)  
    [14C]O[18O]     8.340e-19   8.353e-19   -18.079   -18.078     0.001     (0)  
    [14C]O3-2       5.724e-19   4.010e-19   -18.242   -18.397    -0.155     (0)  
    CaH[14C]O2[18O]+   4.061e-20   3.725e-20   -19.391   -19.429    -0.037     (0)  
-   CaH[14C]O[18O]O+   4.061e-20   3.725e-20   -19.391   -19.429    -0.037     (0)  
    CaH[14C][18O]O2+   4.061e-20   3.725e-20   -19.391   -19.429    -0.037     (0)  
+   CaH[14C]O[18O]O+   4.061e-20   3.725e-20   -19.391   -19.429    -0.037     (0)  
    Ca[14C]O2[18O]   6.678e-21   6.689e-21   -20.175   -20.175     0.001     (0)  
-   H[14C]O[18O]2-   3.837e-21   3.510e-21   -20.416   -20.455    -0.039     (0)  
    H[14C][18O]2O-   3.837e-21   3.510e-21   -20.416   -20.455    -0.039     (0)  
    H[14C][18O]O[18O]-   3.837e-21   3.510e-21   -20.416   -20.455    -0.039     (0)  
+   H[14C]O[18O]2-   3.837e-21   3.510e-21   -20.416   -20.455    -0.039     (0)  
    [14C]O2[18O]-2   3.426e-21   2.400e-21   -20.465   -20.620    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.421e-16
-   O[18O]          4.412e-16   4.419e-16   -15.355   -15.355     0.001     (0)  
-   [18O]2          4.402e-19   4.409e-19   -18.356   -18.356     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.880e-16
+   O[18O]          1.876e-16   1.879e-16   -15.727   -15.726     0.001     (0)  
+   [18O]2          1.872e-19   1.875e-19   -18.728   -18.727     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.96   -126.82   -2.86  [13C]H4
+  [13C]H4(g)     -123.22   -126.08   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.59    -21.10   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.70   -137.56   -2.86  [14C]H4
+  [14C]H4(g)     -133.95   -136.81   -2.86  [14C]H4
   [14C]O2(g)      -14.23    -15.70   -1.47  [14C]O2
   [14C]O[18O](g)  -16.61    -18.40   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.07    -18.36   -2.29  [18O]2
+  [18O]2(g)       -16.44    -18.73   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -36699,14 +36689,14 @@ O(0)          2.220e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.00   -124.86   -2.86  CH4
+  CH4(g)         -121.26   -124.12   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.38    -39.53   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.06    -12.96   -2.89  O2
-  O[18O](g)       -12.76    -15.66   -2.89  O[18O]
+  O2(g)           -10.43    -13.33   -2.89  O2
+  O[18O](g)       -13.13    -16.03   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -36770,23 +36760,23 @@ Calcite                                     1.46e-02
 
      R(18O)              	 1.99519e-03	        -4.9915  permil    
      R(13C)              	 1.11249e-02	         -4.944  permil    
-     R(14C)              	 1.99301e-13	         16.949  pmc       
+     R(14C)              	 1.99303e-13	         16.949  pmc       
      R(18O) H2O(l)       	 1.99519e-03	         -4.993  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	         -4.993  permil    
      R(13C) CO2(aq)      	 1.10453e-02	        -12.065  permil    
-     R(14C) CO2(aq)      	 1.96457e-13	         16.707  pmc       
+     R(14C) CO2(aq)      	 1.96458e-13	         16.707  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	         -4.993  permil    
      R(13C) HCO3-        	 1.11414e-02	        -3.4703  permil    
-     R(14C) HCO3-        	 1.99890e-13	         16.999  pmc       
+     R(14C) HCO3-        	 1.99891e-13	         16.999  pmc       
      R(18O) CO3-2        	 1.99519e-03	         -4.993  permil    
      R(13C) CO3-2        	 1.11254e-02	        -4.9004  permil    
-     R(14C) CO3-2        	 1.99317e-13	          16.95  pmc       
+     R(14C) CO3-2        	 1.99318e-13	          16.95  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11635e-02	        -1.4965  permil    
-     R(14C) Calcite      	 2.00683e-13	         17.066  pmc       
+     R(14C) Calcite      	 2.00684e-13	         17.067  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -36796,12 +36786,12 @@ Calcite                                     1.46e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.3027e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2552e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7444e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6891e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -36821,14 +36811,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.291      Adjusted to redox equilibrium
+                                       pe  =  11.140      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -36843,14 +36833,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.843  -124.842     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.634  -123.633     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -36858,9 +36848,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -36868,81 +36858,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.909e-40
-   H2              1.954e-40   1.958e-40   -39.709   -39.708     0.001     (0)  
-O(0)          2.172e-13
-   O2              1.082e-13   1.083e-13   -12.966   -12.965     0.001     (0)  
-   O[18O]          4.316e-16   4.323e-16   -15.365   -15.364     0.001     (0)  
+H(0)          7.840e-40
+   H2              3.920e-40   3.926e-40   -39.407   -39.406     0.001     (0)  
+O(0)          5.399e-14
+   O2              2.689e-14   2.693e-14   -13.570   -13.570     0.001     (0)  
+   O[18O]          1.073e-16   1.075e-16   -15.969   -15.969     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.800  -126.799     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.591  -125.590     0.001     (0)  
 [13C](4)      6.497e-05
    H[13C]O3-       5.240e-05   4.794e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.075e-08   6.085e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.574e-08   4.581e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.116e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.208e-09   2.025e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.208e-09   2.025e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.208e-09   2.025e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.208e-09   2.025e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.636e-10   3.642e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.865e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.550  -137.549     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.340  -136.340     0.001     (0)  
 [14C](4)      1.164e-15
    H[14C]O3-       9.402e-16   8.602e-16   -15.027   -15.065    -0.039     (0)  
    [14C]O2         1.956e-16   1.960e-16   -15.709   -15.708     0.001     (0)  
    CaH[14C]O3+     1.985e-17   1.821e-17   -16.702   -16.740    -0.037     (0)  
-   H[14C]O2[18O]-   1.876e-18   1.716e-18   -17.727   -17.765    -0.039     (0)  
-   H[14C]O[18O]O-   1.876e-18   1.716e-18   -17.727   -17.765    -0.039     (0)  
    H[14C][18O]O2-   1.876e-18   1.716e-18   -17.727   -17.765    -0.039     (0)  
+   H[14C]O[18O]O-   1.876e-18   1.716e-18   -17.727   -17.765    -0.039     (0)  
+   H[14C]O2[18O]-   1.876e-18   1.716e-18   -17.727   -17.765    -0.039     (0)  
    Ca[14C]O3       1.088e-18   1.090e-18   -17.963   -17.962     0.001     (0)  
    [14C]O[18O]     8.135e-19   8.149e-19   -18.090   -18.089     0.001     (0)  
    [14C]O3-2       5.583e-19   3.911e-19   -18.253   -18.408    -0.155     (0)  
    CaH[14C]O2[18O]+   3.961e-20   3.634e-20   -19.402   -19.440    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.961e-20   3.634e-20   -19.402   -19.440    -0.037     (0)  
    CaH[14C][18O]O2+   3.961e-20   3.634e-20   -19.402   -19.440    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.961e-20   3.634e-20   -19.402   -19.440    -0.037     (0)  
    Ca[14C]O2[18O]   6.515e-21   6.525e-21   -20.186   -20.185     0.001     (0)  
+   H[14C][18O]O[18O]-   3.743e-21   3.424e-21   -20.427   -20.465    -0.039     (0)  
    H[14C]O[18O]2-   3.743e-21   3.424e-21   -20.427   -20.465    -0.039     (0)  
    H[14C][18O]2O-   3.743e-21   3.424e-21   -20.427   -20.465    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.743e-21   3.424e-21   -20.427   -20.465    -0.039     (0)  
    [14C]O2[18O]-2   3.342e-21   2.341e-21   -20.476   -20.631    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.324e-16
-   O[18O]          4.316e-16   4.323e-16   -15.365   -15.364     0.001     (0)  
-   [18O]2          4.305e-19   4.312e-19   -18.366   -18.365     0.001     (0)  
+[18O](0)      1.075e-16
+   O[18O]          1.073e-16   1.075e-16   -15.969   -15.969     0.001     (0)  
+   [18O]2          1.070e-19   1.072e-19   -18.971   -18.970     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.94   -126.80   -2.86  [13C]H4
+  [13C]H4(g)     -122.73   -125.59   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.60    -21.11   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.69   -137.55   -2.86  [14C]H4
+  [14C]H4(g)     -133.48   -136.34   -2.86  [14C]H4
   [14C]O2(g)      -14.24    -15.71   -1.47  [14C]O2
   [14C]O[18O](g)  -16.62    -18.41   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.07    -18.37   -2.29  [18O]2
+  [18O]2(g)       -16.68    -18.97   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -36956,14 +36946,14 @@ O(0)          2.172e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.98   -124.84   -2.86  CH4
+  CH4(g)         -120.77   -123.63   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.26    -39.41   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.07    -12.97   -2.89  O2
-  O[18O](g)       -12.77    -15.67   -2.89  O[18O]
+  O2(g)           -10.68    -13.57   -2.89  O2
+  O[18O](g)       -13.38    -16.27   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -37027,23 +37017,23 @@ Calcite                                     1.51e-02
 
      R(18O)              	 1.99519e-03	        -4.9914  permil    
      R(13C)              	 1.11259e-02	        -4.8591  permil    
-     R(14C)              	 1.94534e-13	         16.544  pmc       
+     R(14C)              	 1.94536e-13	         16.544  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9929  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9929  permil    
      R(13C) CO2(aq)      	 1.10463e-02	        -11.981  permil    
-     R(14C) CO2(aq)      	 1.91758e-13	         16.307  pmc       
+     R(14C) CO2(aq)      	 1.91759e-13	         16.308  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9929  permil    
      R(13C) HCO3-        	 1.11424e-02	        -3.3852  permil    
-     R(14C) HCO3-        	 1.95109e-13	         16.592  pmc       
+     R(14C) HCO3-        	 1.95110e-13	         16.593  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9929  permil    
      R(13C) CO3-2        	 1.11264e-02	        -4.8155  permil    
-     R(14C) CO3-2        	 1.94549e-13	         16.545  pmc       
+     R(14C) CO3-2        	 1.94551e-13	         16.545  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.653  permil    
      R(13C) Calcite      	 1.11644e-02	        -1.4113  permil    
-     R(14C) Calcite      	 1.95883e-13	         16.658  pmc       
+     R(14C) Calcite      	 1.95884e-13	         16.658  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -37053,12 +37043,12 @@ Calcite                                     1.51e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2375e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2571e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.7716e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1     -1.75e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.833e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -37078,14 +37068,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.297      Adjusted to redox equilibrium
+                                       pe  =  11.161      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -37100,24 +37090,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.887  -124.886     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.799  -123.798     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -37125,50 +37115,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.076e-08   6.086e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.810e-40
-   H2              1.905e-40   1.908e-40   -39.720   -39.719     0.001     (0)  
-O(0)          2.285e-13
-   O2              1.138e-13   1.140e-13   -12.944   -12.943     0.001     (0)  
-   O[18O]          4.542e-16   4.549e-16   -15.343   -15.342     0.001     (0)  
+H(0)          7.129e-40
+   H2              3.565e-40   3.570e-40   -39.448   -39.447     0.001     (0)  
+O(0)          6.529e-14
+   O2              3.251e-14   3.257e-14   -13.488   -13.487     0.001     (0)  
+   O[18O]          1.297e-16   1.300e-16   -15.887   -15.886     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.844  -126.843     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.756  -125.755     0.001     (0)  
 [13C](4)      6.498e-05
    H[13C]O3-       5.241e-05   4.795e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.566e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.076e-08   6.086e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.574e-08   4.582e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.117e-08   2.183e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.637e-10   3.643e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.604  -137.604     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.516  -136.515     0.001     (0)  
 [14C](4)      1.136e-15
    H[14C]O3-       9.177e-16   8.396e-16   -15.037   -15.076    -0.039     (0)  
    [14C]O2         1.910e-16   1.913e-16   -15.719   -15.718     0.001     (0)  
    CaH[14C]O3+     1.938e-17   1.778e-17   -16.713   -16.750    -0.037     (0)  
-   H[14C]O2[18O]-   1.831e-18   1.675e-18   -17.737   -17.776    -0.039     (0)  
-   H[14C]O[18O]O-   1.831e-18   1.675e-18   -17.737   -17.776    -0.039     (0)  
    H[14C][18O]O2-   1.831e-18   1.675e-18   -17.737   -17.776    -0.039     (0)  
+   H[14C]O[18O]O-   1.831e-18   1.675e-18   -17.737   -17.776    -0.039     (0)  
+   H[14C]O2[18O]-   1.831e-18   1.675e-18   -17.737   -17.776    -0.039     (0)  
    Ca[14C]O3       1.062e-18   1.064e-18   -17.974   -17.973     0.001     (0)  
    [14C]O[18O]     7.941e-19   7.954e-19   -18.100   -18.099     0.001     (0)  
    [14C]O3-2       5.450e-19   3.818e-19   -18.264   -18.418    -0.155     (0)  
-   CaH[14C]O2[18O]+   3.866e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.866e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
-   CaH[14C][18O]O2+   3.866e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
+   CaH[14C]O2[18O]+   3.867e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
+   CaH[14C][18O]O2+   3.867e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.867e-20   3.547e-20   -19.413   -19.450    -0.037     (0)  
    Ca[14C]O2[18O]   6.359e-21   6.369e-21   -20.197   -20.196     0.001     (0)  
    H[14C]O[18O]2-   3.653e-21   3.342e-21   -20.437   -20.476    -0.039     (0)  
    H[14C][18O]2O-   3.653e-21   3.342e-21   -20.437   -20.476    -0.039     (0)  
@@ -37177,29 +37167,29 @@ O(0)          2.285e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.551e-16
-   O[18O]          4.542e-16   4.549e-16   -15.343   -15.342     0.001     (0)  
-   [18O]2          4.531e-19   4.538e-19   -18.344   -18.343     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.300e-16
+   O[18O]          1.297e-16   1.300e-16   -15.887   -15.886     0.001     (0)  
+   [18O]2          1.294e-19   1.296e-19   -18.888   -18.887     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.98   -126.84   -2.86  [13C]H4
+  [13C]H4(g)     -122.89   -125.75   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.61    -21.12   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.74   -137.60   -2.86  [14C]H4
+  [14C]H4(g)     -133.66   -136.52   -2.86  [14C]H4
   [14C]O2(g)      -14.25    -15.72   -1.47  [14C]O2
   [14C]O[18O](g)  -16.63    -18.42   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.05    -18.34   -2.29  [18O]2
+  [18O]2(g)       -16.60    -18.89   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -37213,14 +37203,14 @@ O(0)          2.285e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.03   -124.89   -2.86  CH4
+  CH4(g)         -120.94   -123.80   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.57    -39.72   -3.15  H2
+  H2(g)           -36.30    -39.45   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.05    -12.94   -2.89  O2
-  O[18O](g)       -12.75    -15.64   -2.89  O[18O]
+  O2(g)           -10.59    -13.49   -2.89  O2
+  O[18O](g)       -13.29    -16.19   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -37284,23 +37274,23 @@ Calcite                                     1.56e-02
 
      R(18O)              	 1.99519e-03	        -4.9912  permil    
      R(13C)              	 1.11268e-02	        -4.7781  permil    
-     R(14C)              	 1.89990e-13	         16.157  pmc       
+     R(14C)              	 1.89991e-13	         16.157  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9927  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9927  permil    
      R(13C) CO2(aq)      	 1.10472e-02	          -11.9  permil    
-     R(14C) CO2(aq)      	 1.87278e-13	         15.927  pmc       
+     R(14C) CO2(aq)      	 1.87280e-13	         15.927  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9927  permil    
      R(13C) HCO3-        	 1.11433e-02	        -3.3041  permil    
-     R(14C) HCO3-        	 1.90551e-13	         16.205  pmc       
+     R(14C) HCO3-        	 1.90552e-13	         16.205  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9927  permil    
      R(13C) CO3-2        	 1.11273e-02	        -4.7344  permil    
-     R(14C) CO3-2        	 1.90005e-13	         16.158  pmc       
+     R(14C) CO3-2        	 1.90006e-13	         16.159  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11653e-02	          -1.33  permil    
-     R(14C) Calcite      	 1.91307e-13	         16.269  pmc       
+     R(14C) Calcite      	 1.91308e-13	         16.269  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -37310,12 +37300,12 @@ Calcite                                     1.56e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2743e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2605e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.4409e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6824e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.562e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -37335,14 +37325,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.290      Adjusted to redox equilibrium
+                                       pe  =  11.162      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -37357,13 +37347,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.834  -124.833     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.810  -123.810     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -37372,9 +37362,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -37382,23 +37372,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.076e-08   6.086e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.929e-40
-   H2              1.965e-40   1.968e-40   -39.707   -39.706     0.001     (0)  
-O(0)          2.149e-13
-   O2              1.070e-13   1.072e-13   -12.970   -12.970     0.001     (0)  
-   O[18O]          4.272e-16   4.279e-16   -15.369   -15.369     0.001     (0)  
+H(0)          7.082e-40
+   H2              3.541e-40   3.547e-40   -39.451   -39.450     0.001     (0)  
+O(0)          6.616e-14
+   O2              3.295e-14   3.300e-14   -13.482   -13.481     0.001     (0)  
+   O[18O]          1.315e-16   1.317e-16   -15.881   -15.880     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.791  -126.790     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.767  -125.766     0.001     (0)  
 [13C](4)      6.498e-05
    H[13C]O3-       5.241e-05   4.795e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.567e-08    -6.981    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.046e-07   9.567e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.567e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.567e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.076e-08   6.086e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.575e-08   4.582e-08    -7.340    -7.339     0.001     (0)  
@@ -37407,56 +37397,56 @@ O(0)          2.149e-13
    CaH[13C]O[18O]O+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.637e-10   3.643e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.086e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.561  -137.561     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.538  -136.537     0.001     (0)  
 [14C](4)      1.110e-15
    H[14C]O3-       8.963e-16   8.200e-16   -15.048   -15.086    -0.039     (0)  
    [14C]O2         1.865e-16   1.868e-16   -15.729   -15.729     0.001     (0)  
    CaH[14C]O3+     1.893e-17   1.736e-17   -16.723   -16.760    -0.037     (0)  
-   H[14C]O2[18O]-   1.788e-18   1.636e-18   -17.748   -17.786    -0.039     (0)  
-   H[14C]O[18O]O-   1.788e-18   1.636e-18   -17.748   -17.786    -0.039     (0)  
    H[14C][18O]O2-   1.788e-18   1.636e-18   -17.748   -17.786    -0.039     (0)  
+   H[14C]O[18O]O-   1.788e-18   1.636e-18   -17.748   -17.786    -0.039     (0)  
+   H[14C]O2[18O]-   1.788e-18   1.636e-18   -17.748   -17.786    -0.039     (0)  
    Ca[14C]O3       1.038e-18   1.039e-18   -17.984   -17.983     0.001     (0)  
    [14C]O[18O]     7.755e-19   7.768e-19   -18.110   -18.110     0.001     (0)  
-   [14C]O3-2       5.322e-19   3.729e-19   -18.274   -18.428    -0.155     (0)  
+   [14C]O3-2       5.323e-19   3.729e-19   -18.274   -18.428    -0.155     (0)  
    CaH[14C]O2[18O]+   3.776e-20   3.464e-20   -19.423   -19.460    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.776e-20   3.464e-20   -19.423   -19.460    -0.037     (0)  
    CaH[14C][18O]O2+   3.776e-20   3.464e-20   -19.423   -19.460    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.776e-20   3.464e-20   -19.423   -19.460    -0.037     (0)  
    Ca[14C]O2[18O]   6.210e-21   6.221e-21   -20.207   -20.206     0.001     (0)  
-   H[14C]O[18O]2-   3.568e-21   3.264e-21   -20.448   -20.486    -0.039     (0)  
    H[14C][18O]2O-   3.568e-21   3.264e-21   -20.448   -20.486    -0.039     (0)  
    H[14C][18O]O[18O]-   3.568e-21   3.264e-21   -20.448   -20.486    -0.039     (0)  
+   H[14C]O[18O]2-   3.568e-21   3.264e-21   -20.448   -20.486    -0.039     (0)  
    [14C]O2[18O]-2   3.186e-21   2.232e-21   -20.497   -20.651    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.280e-16
-   O[18O]          4.272e-16   4.279e-16   -15.369   -15.369     0.001     (0)  
-   [18O]2          4.261e-19   4.268e-19   -18.370   -18.370     0.001     (0)  
+[18O](0)      1.317e-16
+   O[18O]          1.315e-16   1.317e-16   -15.881   -15.880     0.001     (0)  
+   [18O]2          1.312e-19   1.314e-19   -18.882   -18.881     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.93   -126.79   -2.86  [13C]H4
+  [13C]H4(g)     -122.91   -125.77   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.63    -21.13   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.70   -137.56   -2.86  [14C]H4
+  [14C]H4(g)     -133.68   -136.54   -2.86  [14C]H4
   [14C]O2(g)      -14.26    -15.73   -1.47  [14C]O2
   [14C]O[18O](g)  -16.64    -18.43   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.08    -18.37   -2.29  [18O]2
+  [18O]2(g)       -16.59    -18.88   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -37470,14 +37460,14 @@ O(0)          2.149e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.97   -124.83   -2.86  CH4
+  CH4(g)         -120.95   -123.81   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.30    -39.45   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.08    -12.97   -2.89  O2
-  O[18O](g)       -12.78    -15.67   -2.89  O[18O]
+  O2(g)           -10.59    -13.48   -2.89  O2
+  O[18O](g)       -13.29    -16.18   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -37541,23 +37531,23 @@ Calcite                                     1.61e-02
 
      R(18O)              	 1.99519e-03	        -4.9911  permil    
      R(13C)              	 1.11276e-02	        -4.7007  permil    
-     R(14C)              	 1.85653e-13	         15.788  pmc       
+     R(14C)              	 1.85654e-13	         15.788  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9926  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9926  permil    
      R(13C) CO2(aq)      	 1.10480e-02	        -11.824  permil    
-     R(14C) CO2(aq)      	 1.83003e-13	         15.563  pmc       
+     R(14C) CO2(aq)      	 1.83005e-13	         15.563  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9926  permil    
      R(13C) HCO3-        	 1.11441e-02	        -3.2267  permil    
-     R(14C) HCO3-        	 1.86202e-13	         15.835  pmc       
+     R(14C) HCO3-        	 1.86203e-13	         15.835  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9926  permil    
      R(13C) CO3-2        	 1.11281e-02	        -4.6571  permil    
-     R(14C) CO3-2        	 1.85667e-13	          15.79  pmc       
+     R(14C) CO3-2        	 1.85669e-13	          15.79  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11662e-02	        -1.2524  permil    
-     R(14C) Calcite      	 1.86940e-13	         15.898  pmc       
+     R(14C) Calcite      	 1.86941e-13	         15.898  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -37567,12 +37557,12 @@ Calcite                                     1.61e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2512e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2686e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1     -1.72e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6639e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -37592,14 +37582,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.295      Adjusted to redox equilibrium
+                                       pe  =  11.186      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -37614,24 +37604,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.871  -124.871     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.003  -124.003     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -37639,81 +37629,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.845e-40
-   H2              1.922e-40   1.926e-40   -39.716   -39.715     0.001     (0)  
-O(0)          2.245e-13
-   O2              1.118e-13   1.120e-13   -12.952   -12.951     0.001     (0)  
-   O[18O]          4.461e-16   4.468e-16   -15.351   -15.350     0.001     (0)  
+H(0)          6.338e-40
+   H2              3.169e-40   3.174e-40   -39.499   -39.498     0.001     (0)  
+O(0)          8.262e-14
+   O2              4.114e-14   4.121e-14   -13.386   -13.385     0.001     (0)  
+   O[18O]          1.642e-16   1.645e-16   -15.785   -15.784     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.828  -126.827     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.960  -125.959     0.001     (0)  
 [13C](4)      6.499e-05
    H[13C]O3-       5.242e-05   4.796e-05    -4.281    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.568e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.575e-08   4.582e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.117e-08   2.184e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.208e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.637e-10   3.643e-10    -9.439    -9.439     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.609  -137.608     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.741  -136.740     0.001     (0)  
 [14C](4)      1.084e-15
    H[14C]O3-       8.758e-16   8.013e-16   -15.058   -15.096    -0.039     (0)  
    [14C]O2         1.822e-16   1.825e-16   -15.739   -15.739     0.001     (0)  
    CaH[14C]O3+     1.849e-17   1.697e-17   -16.733   -16.770    -0.037     (0)  
-   H[14C]O2[18O]-   1.747e-18   1.599e-18   -17.758   -17.796    -0.039     (0)  
-   H[14C]O[18O]O-   1.747e-18   1.599e-18   -17.758   -17.796    -0.039     (0)  
    H[14C][18O]O2-   1.747e-18   1.599e-18   -17.758   -17.796    -0.039     (0)  
+   H[14C]O[18O]O-   1.747e-18   1.599e-18   -17.758   -17.796    -0.039     (0)  
+   H[14C]O2[18O]-   1.747e-18   1.599e-18   -17.758   -17.796    -0.039     (0)  
    Ca[14C]O3       1.014e-18   1.016e-18   -17.994   -17.993     0.001     (0)  
    [14C]O[18O]     7.578e-19   7.591e-19   -18.120   -18.120     0.001     (0)  
    [14C]O3-2       5.201e-19   3.644e-19   -18.284   -18.438    -0.155     (0)  
    CaH[14C]O2[18O]+   3.690e-20   3.385e-20   -19.433   -19.470    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.690e-20   3.385e-20   -19.433   -19.470    -0.037     (0)  
    CaH[14C][18O]O2+   3.690e-20   3.385e-20   -19.433   -19.470    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.690e-20   3.385e-20   -19.433   -19.470    -0.037     (0)  
    Ca[14C]O2[18O]   6.069e-21   6.079e-21   -20.217   -20.216     0.001     (0)  
+   H[14C][18O]O[18O]-   3.486e-21   3.190e-21   -20.458   -20.496    -0.039     (0)  
    H[14C]O[18O]2-   3.486e-21   3.190e-21   -20.458   -20.496    -0.039     (0)  
    H[14C][18O]2O-   3.486e-21   3.190e-21   -20.458   -20.496    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.486e-21   3.190e-21   -20.458   -20.496    -0.039     (0)  
    [14C]O2[18O]-2   3.113e-21   2.181e-21   -20.507   -20.661    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.469e-16
-   O[18O]          4.461e-16   4.468e-16   -15.351   -15.350     0.001     (0)  
-   [18O]2          4.450e-19   4.457e-19   -18.352   -18.351     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.645e-16
+   O[18O]          1.642e-16   1.645e-16   -15.785   -15.784     0.001     (0)  
+   [18O]2          1.638e-19   1.641e-19   -18.786   -18.785     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.97   -126.83   -2.86  [13C]H4
+  [13C]H4(g)     -123.10   -125.96   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.64    -21.14   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.75   -137.61   -2.86  [14C]H4
+  [14C]H4(g)     -133.88   -136.74   -2.86  [14C]H4
   [14C]O2(g)      -14.27    -15.74   -1.47  [14C]O2
   [14C]O[18O](g)  -16.65    -18.44   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.06    -18.35   -2.29  [18O]2
+  [18O]2(g)       -16.49    -18.79   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -37727,14 +37717,14 @@ O(0)          2.245e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.01   -124.87   -2.86  CH4
+  CH4(g)         -121.14   -124.00   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.57    -39.72   -3.15  H2
+  H2(g)           -36.35    -39.50   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.06    -12.95   -2.89  O2
-  O[18O](g)       -12.76    -15.65   -2.89  O[18O]
+  O2(g)           -10.49    -13.38   -2.89  O2
+  O[18O](g)       -13.19    -16.08   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -37798,23 +37788,23 @@ Calcite                                     1.66e-02
 
      R(18O)              	 1.99519e-03	        -4.9909  permil    
      R(13C)              	 1.11285e-02	        -4.6269  permil    
-     R(14C)              	 1.81510e-13	         15.436  pmc       
+     R(14C)              	 1.81511e-13	         15.436  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9925  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.015  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9925  permil    
      R(13C) CO2(aq)      	 1.10488e-02	         -11.75  permil    
-     R(14C) CO2(aq)      	 1.78919e-13	         15.216  pmc       
+     R(14C) CO2(aq)      	 1.78920e-13	         15.216  pmc       
      R(18O) CO2(aq)      	 2.07915e-03	         36.881  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9925  permil    
      R(13C) HCO3-        	 1.11450e-02	        -3.1527  permil    
-     R(14C) HCO3-        	 1.82046e-13	         15.482  pmc       
+     R(14C) HCO3-        	 1.82047e-13	         15.482  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9925  permil    
      R(13C) CO3-2        	 1.11290e-02	        -4.5833  permil    
-     R(14C) CO3-2        	 1.81524e-13	         15.437  pmc       
+     R(14C) CO3-2        	 1.81525e-13	         15.437  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11670e-02	        -1.1783  permil    
-     R(14C) Calcite      	 1.82768e-13	         15.543  pmc       
+     R(14C) Calcite      	 1.82769e-13	         15.543  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -37824,12 +37814,12 @@ Calcite                                     1.66e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2639e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2816e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7805e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8633e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -37849,14 +37839,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.313      Adjusted to redox equilibrium
+                                       pe  =  11.229      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -37871,14 +37861,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.015  -125.014     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.347  -124.347     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -37886,9 +37876,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -37896,50 +37886,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.541e-40
-   H2              1.770e-40   1.773e-40   -39.752   -39.751     0.001     (0)  
-O(0)          2.647e-13
-   O2              1.318e-13   1.320e-13   -12.880   -12.879     0.001     (0)  
-   O[18O]          5.260e-16   5.268e-16   -15.279   -15.278     0.001     (0)  
+H(0)          5.199e-40
+   H2              2.599e-40   2.604e-40   -39.585   -39.584     0.001     (0)  
+O(0)          1.228e-13
+   O2              6.114e-14   6.124e-14   -13.214   -13.213     0.001     (0)  
+   O[18O]          2.440e-16   2.444e-16   -15.613   -15.612     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.971  -126.971     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.304  -126.303     0.001     (0)  
 [13C](4)      6.499e-05
    H[13C]O3-       5.242e-05   4.796e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.959    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.015e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.569e-08    -6.981    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.569e-08    -6.981    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.569e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.569e-08    -6.981    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.569e-08    -6.981    -7.019    -0.039     (0)  
    Ca[13C]O3       6.077e-08   6.087e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.575e-08   4.583e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.117e-08   2.184e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.681    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.762  -137.761     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.095  -137.094     0.001     (0)  
 [14C](4)      1.060e-15
    H[14C]O3-       8.563e-16   7.834e-16   -15.067   -15.106    -0.039     (0)  
    [14C]O2         1.782e-16   1.785e-16   -15.749   -15.748     0.001     (0)  
    CaH[14C]O3+     1.808e-17   1.659e-17   -16.743   -16.780    -0.037     (0)  
-   H[14C]O2[18O]-   1.708e-18   1.563e-18   -17.767   -17.806    -0.039     (0)  
-   H[14C]O[18O]O-   1.708e-18   1.563e-18   -17.767   -17.806    -0.039     (0)  
    H[14C][18O]O2-   1.708e-18   1.563e-18   -17.767   -17.806    -0.039     (0)  
+   H[14C]O[18O]O-   1.708e-18   1.563e-18   -17.767   -17.806    -0.039     (0)  
+   H[14C]O2[18O]-   1.708e-18   1.563e-18   -17.767   -17.806    -0.039     (0)  
    Ca[14C]O3       9.912e-19   9.929e-19   -18.004   -18.003     0.001     (0)  
    [14C]O[18O]     7.409e-19   7.421e-19   -18.130   -18.130     0.001     (0)  
    [14C]O3-2       5.085e-19   3.562e-19   -18.294   -18.448    -0.155     (0)  
    CaH[14C]O2[18O]+   3.608e-20   3.309e-20   -19.443   -19.480    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.608e-20   3.309e-20   -19.443   -19.480    -0.037     (0)  
    CaH[14C][18O]O2+   3.608e-20   3.309e-20   -19.443   -19.480    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.608e-20   3.309e-20   -19.443   -19.480    -0.037     (0)  
    Ca[14C]O2[18O]   5.933e-21   5.943e-21   -20.227   -20.226     0.001     (0)  
    H[14C]O[18O]2-   3.409e-21   3.118e-21   -20.467   -20.506    -0.039     (0)  
    H[14C][18O]2O-   3.409e-21   3.118e-21   -20.467   -20.506    -0.039     (0)  
@@ -37948,29 +37938,29 @@ O(0)          2.647e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.270e-16
-   O[18O]          5.260e-16   5.268e-16   -15.279   -15.278     0.001     (0)  
-   [18O]2          5.247e-19   5.256e-19   -18.280   -18.279     0.001     (0)  
+[18O](0)      2.445e-16
+   O[18O]          2.440e-16   2.444e-16   -15.613   -15.612     0.001     (0)  
+   [18O]2          2.434e-19   2.438e-19   -18.614   -18.613     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.11   -126.97   -2.86  [13C]H4
+  [13C]H4(g)     -123.44   -126.30   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.64    -21.15   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.90   -137.76   -2.86  [14C]H4
+  [14C]H4(g)     -134.23   -137.09   -2.86  [14C]H4
   [14C]O2(g)      -14.28    -15.75   -1.47  [14C]O2
   [14C]O[18O](g)  -16.66    -18.45   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.99    -18.28   -2.29  [18O]2
+  [18O]2(g)       -16.32    -18.61   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -37984,14 +37974,14 @@ O(0)          2.647e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.15   -125.01   -2.86  CH4
+  CH4(g)         -121.49   -124.35   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.60    -39.75   -3.15  H2
+  H2(g)           -36.43    -39.58   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.99    -12.88   -2.89  O2
-  O[18O](g)       -12.69    -15.58   -2.89  O[18O]
+  O2(g)           -10.32    -13.21   -2.89  O2
+  O[18O](g)       -13.02    -15.91   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -38055,23 +38045,23 @@ Calcite                                     1.71e-02
 
      R(18O)              	 1.99519e-03	        -4.9908  permil    
      R(13C)              	 1.11293e-02	        -4.5562  permil    
-     R(14C)              	 1.77548e-13	         15.099  pmc       
+     R(14C)              	 1.77549e-13	         15.099  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9923  permil    
      R(18O) OH-          	 1.92122e-03	         -41.88  permil    
      R(18O) H3O+         	 2.04132e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9923  permil    
      R(13C) CO2(aq)      	 1.10496e-02	         -11.68  permil    
-     R(14C) CO2(aq)      	 1.75013e-13	         14.884  pmc       
+     R(14C) CO2(aq)      	 1.75015e-13	         14.884  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9923  permil    
      R(13C) HCO3-        	 1.11457e-02	        -3.0819  permil    
-     R(14C) HCO3-        	 1.78072e-13	         15.144  pmc       
+     R(14C) HCO3-        	 1.78073e-13	         15.144  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9923  permil    
      R(13C) CO3-2        	 1.11297e-02	        -4.5126  permil    
-     R(14C) CO3-2        	 1.77561e-13	           15.1  pmc       
+     R(14C) CO3-2        	 1.77562e-13	           15.1  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11678e-02	        -1.1074  permil    
-     R(14C) Calcite      	 1.78778e-13	         15.204  pmc       
+     R(14C) Calcite      	 1.78779e-13	         15.204  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -38081,12 +38071,12 @@ Calcite                                     1.71e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2495e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2656e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.7716e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.4417e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.8121e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8223e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -38106,14 +38096,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.322      Adjusted to redox equilibrium
+                                       pe  =  11.244      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -38128,24 +38118,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.091  -125.090     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.460  -124.459     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -38153,23 +38143,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.389e-40
-   H2              1.695e-40   1.697e-40   -39.771   -39.770     0.001     (0)  
-O(0)          2.889e-13
-   O2              1.439e-13   1.441e-13   -12.842   -12.841     0.001     (0)  
-   O[18O]          5.741e-16   5.750e-16   -15.241   -15.240     0.001     (0)  
+H(0)          4.873e-40
+   H2              2.436e-40   2.440e-40   -39.613   -39.613     0.001     (0)  
+O(0)          1.397e-13
+   O2              6.959e-14   6.971e-14   -13.157   -13.157     0.001     (0)  
+   O[18O]          2.777e-16   2.782e-16   -15.556   -15.556     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.047  -127.047     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.417  -126.416     0.001     (0)  
 [13C](4)      6.499e-05
    H[13C]O3-       5.242e-05   4.796e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.569e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.046e-07   9.569e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.569e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.569e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.576e-08   4.583e-08    -7.340    -7.339     0.001     (0)  
@@ -38178,56 +38168,56 @@ O(0)          2.889e-13
    CaH[13C]O[18O]O+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.848  -137.847     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.217  -137.216     0.001     (0)  
 [14C](4)      1.037e-15
    H[14C]O3-       8.376e-16   7.663e-16   -15.077   -15.116    -0.039     (0)  
    [14C]O2         1.743e-16   1.746e-16   -15.759   -15.758     0.001     (0)  
    CaH[14C]O3+     1.769e-17   1.622e-17   -16.752   -16.790    -0.037     (0)  
-   H[14C]O2[18O]-   1.671e-18   1.529e-18   -17.777   -17.816    -0.039     (0)  
-   H[14C]O[18O]O-   1.671e-18   1.529e-18   -17.777   -17.816    -0.039     (0)  
    H[14C][18O]O2-   1.671e-18   1.529e-18   -17.777   -17.816    -0.039     (0)  
+   H[14C]O[18O]O-   1.671e-18   1.529e-18   -17.777   -17.816    -0.039     (0)  
+   H[14C]O2[18O]-   1.671e-18   1.529e-18   -17.777   -17.816    -0.039     (0)  
    Ca[14C]O3       9.696e-19   9.712e-19   -18.013   -18.013     0.001     (0)  
    [14C]O[18O]     7.247e-19   7.259e-19   -18.140   -18.139     0.001     (0)  
    [14C]O3-2       4.974e-19   3.484e-19   -18.303   -18.458    -0.155     (0)  
    CaH[14C]O2[18O]+   3.529e-20   3.237e-20   -19.452   -19.490    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.529e-20   3.237e-20   -19.452   -19.490    -0.037     (0)  
    CaH[14C][18O]O2+   3.529e-20   3.237e-20   -19.452   -19.490    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.529e-20   3.237e-20   -19.452   -19.490    -0.037     (0)  
    Ca[14C]O2[18O]   5.804e-21   5.813e-21   -20.236   -20.236     0.001     (0)  
-   H[14C]O[18O]2-   3.334e-21   3.050e-21   -20.477   -20.516    -0.039     (0)  
    H[14C][18O]2O-   3.334e-21   3.050e-21   -20.477   -20.516    -0.039     (0)  
    H[14C][18O]O[18O]-   3.334e-21   3.050e-21   -20.477   -20.516    -0.039     (0)  
+   H[14C]O[18O]2-   3.334e-21   3.050e-21   -20.477   -20.516    -0.039     (0)  
    [14C]O2[18O]-2   2.977e-21   2.086e-21   -20.526   -20.681    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.752e-16
-   O[18O]          5.741e-16   5.750e-16   -15.241   -15.240     0.001     (0)  
-   [18O]2          5.727e-19   5.736e-19   -18.242   -18.241     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.783e-16
+   O[18O]          2.777e-16   2.782e-16   -15.556   -15.556     0.001     (0)  
+   [18O]2          2.770e-19   2.775e-19   -18.557   -18.557     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.19   -127.05   -2.86  [13C]H4
+  [13C]H4(g)     -123.56   -126.42   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.65    -21.16   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.99   -137.85   -2.86  [14C]H4
+  [14C]H4(g)     -134.36   -137.22   -2.86  [14C]H4
   [14C]O2(g)      -14.29    -15.76   -1.47  [14C]O2
   [14C]O[18O](g)  -16.67    -18.46   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.95    -18.24   -2.29  [18O]2
+  [18O]2(g)       -16.27    -18.56   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -38241,14 +38231,14 @@ O(0)          2.889e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.23   -125.09   -2.86  CH4
+  CH4(g)         -121.60   -124.46   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.46    -39.61   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.95    -12.84   -2.89  O2
-  O[18O](g)       -12.65    -15.54   -2.89  O[18O]
+  O2(g)           -10.26    -13.16   -2.89  O2
+  O[18O](g)       -12.96    -15.86   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -38312,23 +38302,23 @@ Calcite                                     1.76e-02
 
      R(18O)              	 1.99519e-03	        -4.9907  permil    
      R(13C)              	 1.11300e-02	        -4.4886  permil    
-     R(14C)              	 1.73754e-13	         14.776  pmc       
+     R(14C)              	 1.73756e-13	         14.777  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9922  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9922  permil    
      R(13C) CO2(aq)      	 1.10504e-02	        -11.613  permil    
-     R(14C) CO2(aq)      	 1.71275e-13	         14.566  pmc       
+     R(14C) CO2(aq)      	 1.71276e-13	         14.566  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9922  permil    
      R(13C) HCO3-        	 1.11465e-02	        -3.0142  permil    
-     R(14C) HCO3-        	 1.74268e-13	          14.82  pmc       
+     R(14C) HCO3-        	 1.74269e-13	          14.82  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9922  permil    
      R(13C) CO3-2        	 1.11305e-02	         -4.445  permil    
-     R(14C) CO3-2        	 1.73768e-13	         14.778  pmc       
+     R(14C) CO3-2        	 1.73769e-13	         14.778  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11686e-02	        -1.0395  permil    
-     R(14C) Calcite      	 1.74959e-13	         14.879  pmc       
+     R(14C) Calcite      	 1.74960e-13	         14.879  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -38338,12 +38328,12 @@ Calcite                                     1.76e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2727e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2564e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.7724e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6998e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.575e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -38363,14 +38353,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.319      Adjusted to redox equilibrium
+                                       pe  =  11.231      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -38385,14 +38375,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.066  -125.066     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.360  -124.359     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -38400,9 +38390,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -38410,81 +38400,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.437e-40
-   H2              1.718e-40   1.721e-40   -39.765   -39.764     0.001     (0)  
-O(0)          2.809e-13
-   O2              1.399e-13   1.401e-13   -12.854   -12.853     0.001     (0)  
-   O[18O]          5.582e-16   5.592e-16   -15.253   -15.252     0.001     (0)  
+H(0)          5.161e-40
+   H2              2.580e-40   2.585e-40   -39.588   -39.588     0.001     (0)  
+O(0)          1.246e-13
+   O2              6.205e-14   6.215e-14   -13.207   -13.207     0.001     (0)  
+   O[18O]          2.476e-16   2.480e-16   -15.606   -15.606     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.023  -127.022     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.317  -126.316     0.001     (0)  
 [13C](4)      6.500e-05
    H[13C]O3-       5.243e-05   4.797e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.570e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.216     0.001     (0)  
    [13C]O[18O]     4.576e-08   4.583e-08    -7.340    -7.339     0.001     (0)  
    [13C]O3-2       3.118e-08   2.184e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.909e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.833  -137.832     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.126  -137.126     0.001     (0)  
 [14C](4)      1.015e-15
    H[14C]O3-       8.197e-16   7.499e-16   -15.086   -15.125    -0.039     (0)  
    [14C]O2         1.706e-16   1.708e-16   -15.768   -15.767     0.001     (0)  
    CaH[14C]O3+     1.731e-17   1.588e-17   -16.762   -16.799    -0.037     (0)  
-   H[14C]O2[18O]-   1.635e-18   1.496e-18   -17.786   -17.825    -0.039     (0)  
-   H[14C]O[18O]O-   1.635e-18   1.496e-18   -17.786   -17.825    -0.039     (0)  
    H[14C][18O]O2-   1.635e-18   1.496e-18   -17.786   -17.825    -0.039     (0)  
-   Ca[14C]O3       9.489e-19   9.504e-19   -18.023   -18.022     0.001     (0)  
+   H[14C]O[18O]O-   1.635e-18   1.496e-18   -17.786   -17.825    -0.039     (0)  
+   H[14C]O2[18O]-   1.635e-18   1.496e-18   -17.786   -17.825    -0.039     (0)  
+   Ca[14C]O3       9.489e-19   9.505e-19   -18.023   -18.022     0.001     (0)  
    [14C]O[18O]     7.092e-19   7.104e-19   -18.149   -18.148     0.001     (0)  
    [14C]O3-2       4.868e-19   3.410e-19   -18.313   -18.467    -0.155     (0)  
    CaH[14C]O2[18O]+   3.453e-20   3.168e-20   -19.462   -19.499    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.453e-20   3.168e-20   -19.462   -19.499    -0.037     (0)  
    CaH[14C][18O]O2+   3.453e-20   3.168e-20   -19.462   -19.499    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.453e-20   3.168e-20   -19.462   -19.499    -0.037     (0)  
    Ca[14C]O2[18O]   5.680e-21   5.689e-21   -20.246   -20.245     0.001     (0)  
+   H[14C][18O]O[18O]-   3.263e-21   2.985e-21   -20.486   -20.525    -0.039     (0)  
    H[14C]O[18O]2-   3.263e-21   2.985e-21   -20.486   -20.525    -0.039     (0)  
    H[14C][18O]2O-   3.263e-21   2.985e-21   -20.486   -20.525    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.263e-21   2.985e-21   -20.486   -20.525    -0.039     (0)  
    [14C]O2[18O]-2   2.914e-21   2.041e-21   -20.536   -20.690    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.594e-16
-   O[18O]          5.582e-16   5.592e-16   -15.253   -15.252     0.001     (0)  
-   [18O]2          5.569e-19   5.578e-19   -18.254   -18.254     0.001     (0)  
+[18O](0)      2.481e-16
+   O[18O]          2.476e-16   2.480e-16   -15.606   -15.606     0.001     (0)  
+   [18O]2          2.470e-19   2.474e-19   -18.607   -18.607     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.16   -127.02   -2.86  [13C]H4
+  [13C]H4(g)     -123.46   -126.32   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.66    -21.17   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.97   -137.83   -2.86  [14C]H4
+  [14C]H4(g)     -134.27   -137.13   -2.86  [14C]H4
   [14C]O2(g)      -14.30    -15.77   -1.47  [14C]O2
   [14C]O[18O](g)  -16.68    -18.47   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.32    -18.61   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -38498,14 +38488,14 @@ O(0)          2.809e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -121.50   -124.36   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.44    -39.59   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.31    -13.21   -2.89  O2
+  O[18O](g)       -13.01    -15.91   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -38569,23 +38559,23 @@ Calcite                                     1.81e-02
 
      R(18O)              	 1.99519e-03	        -4.9905  permil    
      R(13C)              	 1.11307e-02	        -4.4238  permil    
-     R(14C)              	 1.70120e-13	         14.467  pmc       
+     R(14C)              	 1.70121e-13	         14.467  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9921  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9921  permil    
      R(13C) CO2(aq)      	 1.10511e-02	        -11.549  permil    
-     R(14C) CO2(aq)      	 1.67692e-13	         14.261  pmc       
+     R(14C) CO2(aq)      	 1.67693e-13	         14.261  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9921  permil    
      R(13C) HCO3-        	 1.11472e-02	        -2.9493  permil    
-     R(14C) HCO3-        	 1.70623e-13	          14.51  pmc       
+     R(14C) HCO3-        	 1.70624e-13	          14.51  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9921  permil    
      R(13C) CO3-2        	 1.11312e-02	        -4.3802  permil    
-     R(14C) CO3-2        	 1.70133e-13	         14.468  pmc       
+     R(14C) CO3-2        	 1.70134e-13	         14.469  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11693e-02	        -0.9745  permil    
-     R(14C) Calcite      	 1.71299e-13	         14.568  pmc       
+     R(14C) Calcite      	 1.71300e-13	         14.568  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -38595,12 +38585,12 @@ Calcite                                     1.81e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2384e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6959e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7072e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -38620,14 +38610,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.328      Adjusted to redox equilibrium
+                                       pe  =  11.227      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.129e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   3
                                   Total H  = 1.110126e+02
@@ -38642,24 +38632,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.139  -125.138     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.331  -124.330     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -38667,50 +38657,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.297e-40
-   H2              1.648e-40   1.651e-40   -39.783   -39.782     0.001     (0)  
-O(0)          3.053e-13
-   O2              1.520e-13   1.523e-13   -12.818   -12.817     0.001     (0)  
-   O[18O]          6.067e-16   6.077e-16   -15.217   -15.216     0.001     (0)  
+H(0)          5.248e-40
+   H2              2.624e-40   2.628e-40   -39.581   -39.580     0.001     (0)  
+O(0)          1.205e-13
+   O2              6.001e-14   6.011e-14   -13.222   -13.221     0.001     (0)  
+   O[18O]          2.395e-16   2.398e-16   -15.621   -15.620     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.095  -127.095     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.288  -126.287     0.001     (0)  
 [13C](4)      6.500e-05
    H[13C]O3-       5.243e-05   4.797e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.100e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.078e-08   6.088e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.576e-08   4.584e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.118e-08   2.184e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.209e-09   2.026e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.307e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.914  -137.913     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.107  -137.106     0.001     (0)  
 [14C](4)      9.935e-16
    H[14C]O3-       8.025e-16   7.342e-16   -15.096   -15.134    -0.039     (0)  
    [14C]O2         1.670e-16   1.673e-16   -15.777   -15.777     0.001     (0)  
    CaH[14C]O3+     1.695e-17   1.555e-17   -16.771   -16.808    -0.037     (0)  
-   H[14C]O2[18O]-   1.601e-18   1.465e-18   -17.796   -17.834    -0.039     (0)  
-   H[14C]O[18O]O-   1.601e-18   1.465e-18   -17.796   -17.834    -0.039     (0)  
    H[14C][18O]O2-   1.601e-18   1.465e-18   -17.796   -17.834    -0.039     (0)  
+   H[14C]O[18O]O-   1.601e-18   1.465e-18   -17.796   -17.834    -0.039     (0)  
+   H[14C]O2[18O]-   1.601e-18   1.465e-18   -17.796   -17.834    -0.039     (0)  
    Ca[14C]O3       9.290e-19   9.306e-19   -18.032   -18.031     0.001     (0)  
    [14C]O[18O]     6.944e-19   6.955e-19   -18.158   -18.158     0.001     (0)  
    [14C]O3-2       4.766e-19   3.339e-19   -18.322   -18.476    -0.155     (0)  
    CaH[14C]O2[18O]+   3.381e-20   3.102e-20   -19.471   -19.508    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.381e-20   3.102e-20   -19.471   -19.508    -0.037     (0)  
    CaH[14C][18O]O2+   3.381e-20   3.102e-20   -19.471   -19.508    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.381e-20   3.102e-20   -19.471   -19.508    -0.037     (0)  
    Ca[14C]O2[18O]   5.561e-21   5.570e-21   -20.255   -20.254     0.001     (0)  
    H[14C]O[18O]2-   3.195e-21   2.923e-21   -20.496   -20.534    -0.039     (0)  
    H[14C][18O]2O-   3.195e-21   2.923e-21   -20.496   -20.534    -0.039     (0)  
@@ -38719,29 +38709,29 @@ O(0)          3.053e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.079e-16
-   O[18O]          6.067e-16   6.077e-16   -15.217   -15.216     0.001     (0)  
-   [18O]2          6.052e-19   6.062e-19   -18.218   -18.217     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.399e-16
+   O[18O]          2.395e-16   2.398e-16   -15.621   -15.620     0.001     (0)  
+   [18O]2          2.389e-19   2.393e-19   -18.622   -18.621     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.23   -127.09   -2.86  [13C]H4
+  [13C]H4(g)     -123.43   -126.29   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.67    -21.18   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.05   -137.91   -2.86  [14C]H4
+  [14C]H4(g)     -134.25   -137.11   -2.86  [14C]H4
   [14C]O2(g)      -14.31    -15.78   -1.47  [14C]O2
   [14C]O[18O](g)  -16.69    -18.48   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.93    -18.22   -2.29  [18O]2
+  [18O]2(g)       -16.33    -18.62   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -38755,14 +38745,14 @@ O(0)          3.053e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.28   -125.14   -2.86  CH4
+  CH4(g)         -121.47   -124.33   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.43    -39.58   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.82   -2.89  O2
-  O[18O](g)       -12.62    -15.52   -2.89  O[18O]
+  O2(g)           -10.33    -13.22   -2.89  O2
+  O[18O](g)       -13.03    -15.92   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -38826,23 +38816,23 @@ Calcite                                     1.86e-02
 
      R(18O)              	 1.99519e-03	        -4.9904  permil    
      R(13C)              	 1.11314e-02	        -4.3617  permil    
-     R(14C)              	 1.66635e-13	         14.171  pmc       
+     R(14C)              	 1.66636e-13	         14.171  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9919  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9919  permil    
      R(13C) CO2(aq)      	 1.10518e-02	        -11.487  permil    
-     R(14C) CO2(aq)      	 1.64256e-13	         13.969  pmc       
+     R(14C) CO2(aq)      	 1.64257e-13	         13.969  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9919  permil    
      R(13C) HCO3-        	 1.11479e-02	        -2.8871  permil    
-     R(14C) HCO3-        	 1.67127e-13	         14.213  pmc       
+     R(14C) HCO3-        	 1.67128e-13	         14.213  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9919  permil    
      R(13C) CO3-2        	 1.11319e-02	         -4.318  permil    
-     R(14C) CO3-2        	 1.66647e-13	         14.172  pmc       
+     R(14C) CO3-2        	 1.66648e-13	         14.172  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.654  permil    
      R(13C) Calcite      	 1.11700e-02	       -0.91214  permil    
-     R(14C) Calcite      	 1.67789e-13	         14.269  pmc       
+     R(14C) Calcite      	 1.67791e-13	         14.269  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -38852,12 +38842,12 @@ Calcite                                     1.86e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2343e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1    -2.251e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6414e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5861e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -38877,14 +38867,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.324      Adjusted to redox equilibrium
+                                       pe  =  11.215      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -38899,13 +38889,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.102  -125.101     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.235  -124.234     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -38914,9 +38904,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -38924,23 +38914,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.367e-40
-   H2              1.683e-40   1.686e-40   -39.774   -39.773     0.001     (0)  
-O(0)          2.927e-13
-   O2              1.458e-13   1.460e-13   -12.836   -12.836     0.001     (0)  
-   O[18O]          5.817e-16   5.826e-16   -15.235   -15.235     0.001     (0)  
+H(0)          5.547e-40
+   H2              2.773e-40   2.778e-40   -39.557   -39.556     0.001     (0)  
+O(0)          1.078e-13
+   O2              5.371e-14   5.380e-14   -13.270   -13.269     0.001     (0)  
+   O[18O]          2.143e-16   2.147e-16   -15.669   -15.668     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.059  -127.058     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.191  -126.191     0.001     (0)  
 [13C](4)      6.501e-05
    H[13C]O3-       5.244e-05   4.797e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.571e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.576e-08   4.584e-08    -7.339    -7.339     0.001     (0)  
@@ -38949,56 +38939,56 @@ O(0)          2.927e-13
    CaH[13C]O[18O]O+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.638e-10   3.644e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.866e-10   1.308e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.887  -137.886     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.019  -137.019     0.001     (0)  
 [14C](4)      9.731e-16
    H[14C]O3-       7.861e-16   7.192e-16   -15.105   -15.143    -0.039     (0)  
    [14C]O2         1.636e-16   1.638e-16   -15.786   -15.786     0.001     (0)  
    CaH[14C]O3+     1.660e-17   1.523e-17   -16.780   -16.817    -0.037     (0)  
-   H[14C]O2[18O]-   1.568e-18   1.435e-18   -17.805   -17.843    -0.039     (0)  
-   H[14C]O[18O]O-   1.568e-18   1.435e-18   -17.805   -17.843    -0.039     (0)  
    H[14C][18O]O2-   1.568e-18   1.435e-18   -17.805   -17.843    -0.039     (0)  
+   H[14C]O[18O]O-   1.568e-18   1.435e-18   -17.805   -17.843    -0.039     (0)  
+   H[14C]O2[18O]-   1.568e-18   1.435e-18   -17.805   -17.843    -0.039     (0)  
    Ca[14C]O3       9.100e-19   9.115e-19   -18.041   -18.040     0.001     (0)  
    [14C]O[18O]     6.802e-19   6.813e-19   -18.167   -18.167     0.001     (0)  
    [14C]O3-2       4.668e-19   3.270e-19   -18.331   -18.485    -0.155     (0)  
    CaH[14C]O2[18O]+   3.312e-20   3.038e-20   -19.480   -19.517    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.312e-20   3.038e-20   -19.480   -19.517    -0.037     (0)  
    CaH[14C][18O]O2+   3.312e-20   3.038e-20   -19.480   -19.517    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.312e-20   3.038e-20   -19.480   -19.517    -0.037     (0)  
    Ca[14C]O2[18O]   5.447e-21   5.456e-21   -20.264   -20.263     0.001     (0)  
-   H[14C]O[18O]2-   3.129e-21   2.863e-21   -20.505   -20.543    -0.039     (0)  
    H[14C][18O]2O-   3.129e-21   2.863e-21   -20.505   -20.543    -0.039     (0)  
    H[14C][18O]O[18O]-   3.129e-21   2.863e-21   -20.505   -20.543    -0.039     (0)  
+   H[14C]O[18O]2-   3.129e-21   2.863e-21   -20.505   -20.543    -0.039     (0)  
    [14C]O2[18O]-2   2.794e-21   1.957e-21   -20.554   -20.708    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.829e-16
-   O[18O]          5.817e-16   5.826e-16   -15.235   -15.235     0.001     (0)  
-   [18O]2          5.803e-19   5.812e-19   -18.236   -18.236     0.001     (0)  
+[18O](0)      2.148e-16
+   O[18O]          2.143e-16   2.147e-16   -15.669   -15.668     0.001     (0)  
+   [18O]2          2.138e-19   2.142e-19   -18.670   -18.669     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.20   -127.06   -2.86  [13C]H4
+  [13C]H4(g)     -123.33   -126.19   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.68    -21.19   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.03   -137.89   -2.86  [14C]H4
+  [14C]H4(g)     -134.16   -137.02   -2.86  [14C]H4
   [14C]O2(g)      -14.32    -15.79   -1.47  [14C]O2
   [14C]O[18O](g)  -16.70    -18.49   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.95    -18.24   -2.29  [18O]2
+  [18O]2(g)       -16.38    -18.67   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -39012,14 +39002,14 @@ O(0)          2.927e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.24   -125.10   -2.86  CH4
+  CH4(g)         -121.37   -124.23   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.41    -39.56   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.94    -12.84   -2.89  O2
-  O[18O](g)       -12.64    -15.54   -2.89  O[18O]
+  O2(g)           -10.38    -13.27   -2.89  O2
+  O[18O](g)       -13.08    -15.97   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -39083,23 +39073,23 @@ Calcite                                     1.91e-02
 
      R(18O)              	 1.99519e-03	        -4.9903  permil    
      R(13C)              	 1.11321e-02	         -4.302  permil    
-     R(14C)              	 1.63289e-13	         13.886  pmc       
+     R(14C)              	 1.63290e-13	         13.887  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9918  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9918  permil    
      R(13C) CO2(aq)      	 1.10524e-02	        -11.428  permil    
-     R(14C) CO2(aq)      	 1.60959e-13	         13.688  pmc       
+     R(14C) CO2(aq)      	 1.60960e-13	         13.688  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9918  permil    
      R(13C) HCO3-        	 1.11486e-02	        -2.8273  permil    
-     R(14C) HCO3-        	 1.63771e-13	         13.927  pmc       
+     R(14C) HCO3-        	 1.63772e-13	         13.928  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9918  permil    
      R(13C) CO3-2        	 1.11326e-02	        -4.2584  permil    
-     R(14C) CO3-2        	 1.63302e-13	         13.888  pmc       
+     R(14C) CO3-2        	 1.63303e-13	         13.888  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11707e-02	       -0.85228  permil    
-     R(14C) Calcite      	 1.64421e-13	         13.983  pmc       
+     R(14C) Calcite      	 1.64422e-13	         13.983  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -39109,12 +39099,12 @@ Calcite                                     1.91e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2714e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2558e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6787e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6929e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -39134,14 +39124,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.330      Adjusted to redox equilibrium
+                                       pe  =  11.231      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.824e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -39156,24 +39146,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.152  -125.151     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.363  -124.362     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -39181,81 +39171,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.273e-40
-   H2              1.636e-40   1.639e-40   -39.786   -39.785     0.001     (0)  
-O(0)          3.098e-13
-   O2              1.543e-13   1.546e-13   -12.812   -12.811     0.001     (0)  
-   O[18O]          6.158e-16   6.168e-16   -15.211   -15.210     0.001     (0)  
+H(0)          5.153e-40
+   H2              2.576e-40   2.581e-40   -39.589   -39.588     0.001     (0)  
+O(0)          1.250e-13
+   O2              6.224e-14   6.234e-14   -13.206   -13.205     0.001     (0)  
+   O[18O]          2.484e-16   2.488e-16   -15.605   -15.604     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.108  -127.107     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.319  -126.319     0.001     (0)  
 [13C](4)      6.501e-05
    H[13C]O3-       5.244e-05   4.797e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.577e-08   4.584e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.118e-08   2.185e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.087e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.884    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.945  -137.944     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.156  -137.155     0.001     (0)  
 [14C](4)      9.536e-16
    H[14C]O3-       7.703e-16   7.047e-16   -15.113   -15.152    -0.039     (0)  
    [14C]O2         1.603e-16   1.605e-16   -15.795   -15.794     0.001     (0)  
    CaH[14C]O3+     1.627e-17   1.492e-17   -16.789   -16.826    -0.037     (0)  
-   H[14C]O2[18O]-   1.537e-18   1.406e-18   -17.813   -17.852    -0.039     (0)  
-   H[14C]O[18O]O-   1.537e-18   1.406e-18   -17.813   -17.852    -0.039     (0)  
    H[14C][18O]O2-   1.537e-18   1.406e-18   -17.813   -17.852    -0.039     (0)  
+   H[14C]O[18O]O-   1.537e-18   1.406e-18   -17.813   -17.852    -0.039     (0)  
+   H[14C]O2[18O]-   1.537e-18   1.406e-18   -17.813   -17.852    -0.039     (0)  
    Ca[14C]O3       8.917e-19   8.932e-19   -18.050   -18.049     0.001     (0)  
    [14C]O[18O]     6.665e-19   6.676e-19   -18.176   -18.175     0.001     (0)  
    [14C]O3-2       4.574e-19   3.205e-19   -18.340   -18.494    -0.155     (0)  
    CaH[14C]O2[18O]+   3.245e-20   2.977e-20   -19.489   -19.526    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.245e-20   2.977e-20   -19.489   -19.526    -0.037     (0)  
    CaH[14C][18O]O2+   3.245e-20   2.977e-20   -19.489   -19.526    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.245e-20   2.977e-20   -19.489   -19.526    -0.037     (0)  
    Ca[14C]O2[18O]   5.338e-21   5.346e-21   -20.273   -20.272     0.001     (0)  
+   H[14C][18O]O[18O]-   3.066e-21   2.805e-21   -20.513   -20.552    -0.039     (0)  
    H[14C]O[18O]2-   3.066e-21   2.805e-21   -20.513   -20.552    -0.039     (0)  
    H[14C][18O]2O-   3.066e-21   2.805e-21   -20.513   -20.552    -0.039     (0)  
-   H[14C][18O]O[18O]-   3.066e-21   2.805e-21   -20.513   -20.552    -0.039     (0)  
    [14C]O2[18O]-2   2.738e-21   1.918e-21   -20.563   -20.717    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.170e-16
-   O[18O]          6.158e-16   6.168e-16   -15.211   -15.210     0.001     (0)  
-   [18O]2          6.143e-19   6.153e-19   -18.212   -18.211     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.489e-16
+   O[18O]          2.484e-16   2.488e-16   -15.605   -15.604     0.001     (0)  
+   [18O]2          2.478e-19   2.482e-19   -18.606   -18.605     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.25   -127.11   -2.86  [13C]H4
+  [13C]H4(g)     -123.46   -126.32   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.69    -21.19   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.08   -137.94   -2.86  [14C]H4
+  [14C]H4(g)     -134.30   -137.16   -2.86  [14C]H4
   [14C]O2(g)      -14.33    -15.79   -1.47  [14C]O2
   [14C]O[18O](g)  -16.71    -18.49   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.92    -18.21   -2.29  [18O]2
+  [18O]2(g)       -16.31    -18.61   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -39269,14 +39259,14 @@ O(0)          3.098e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.29   -125.15   -2.86  CH4
+  CH4(g)         -121.50   -124.36   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.64    -39.79   -3.15  H2
+  H2(g)           -36.44    -39.59   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.81   -2.89  O2
-  O[18O](g)       -12.62    -15.51   -2.89  O[18O]
+  O2(g)           -10.31    -13.21   -2.89  O2
+  O[18O](g)       -13.01    -15.91   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -39340,23 +39330,23 @@ Calcite                                     1.96e-02
 
      R(18O)              	 1.99519e-03	        -4.9901  permil    
      R(13C)              	 1.11327e-02	        -4.2447  permil    
-     R(14C)              	 1.60075e-13	         13.613  pmc       
+     R(14C)              	 1.60076e-13	         13.613  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9916  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9916  permil    
      R(13C) CO2(aq)      	 1.10531e-02	        -11.371  permil    
-     R(14C) CO2(aq)      	 1.57791e-13	         13.419  pmc       
+     R(14C) CO2(aq)      	 1.57792e-13	         13.419  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9916  permil    
      R(13C) HCO3-        	 1.11492e-02	        -2.7699  permil    
-     R(14C) HCO3-        	 1.60548e-13	         13.653  pmc       
+     R(14C) HCO3-        	 1.60549e-13	         13.653  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9916  permil    
      R(13C) CO3-2        	 1.11332e-02	        -4.2011  permil    
-     R(14C) CO3-2        	 1.60088e-13	         13.614  pmc       
+     R(14C) CO3-2        	 1.60089e-13	         13.614  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11713e-02	       -0.79477  permil    
-     R(14C) Calcite      	 1.61185e-13	         13.707  pmc       
+     R(14C) Calcite      	 1.61186e-13	         13.708  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -39366,12 +39356,12 @@ Calcite                                     1.96e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2845e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2691e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7544e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6972e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -39391,14 +39381,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.328      Adjusted to redox equilibrium
+                                       pe  =  11.214      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.128e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -39413,14 +39403,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.140  -125.139     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.225  -124.224     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -39428,9 +39418,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -39438,51 +39428,51 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.295e-40
-   H2              1.647e-40   1.650e-40   -39.783   -39.782     0.001     (0)  
-O(0)          3.057e-13
-   O2              1.522e-13   1.525e-13   -12.818   -12.817     0.001     (0)  
-   O[18O]          6.074e-16   6.084e-16   -15.217   -15.216     0.001     (0)  
+H(0)          5.579e-40
+   H2              2.790e-40   2.794e-40   -39.554   -39.554     0.001     (0)  
+O(0)          1.066e-13
+   O2              5.309e-14   5.318e-14   -13.275   -13.274     0.001     (0)  
+   O[18O]          2.118e-16   2.122e-16   -15.674   -15.673     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.096  -127.095     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.181  -126.181     0.001     (0)  
 [13C](4)      6.501e-05
    H[13C]O3-       5.244e-05   4.798e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.102e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.572e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.079e-08   6.089e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.577e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.119e-08   2.185e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.209e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.942  -137.941     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -137.027  -137.026     0.001     (0)  
 [14C](4)      9.348e-16
-   H[14C]O3-       7.551e-16   6.909e-16   -15.122   -15.161    -0.039     (0)  
+   H[14C]O3-       7.552e-16   6.909e-16   -15.122   -15.161    -0.039     (0)  
    [14C]O2         1.571e-16   1.574e-16   -15.804   -15.803     0.001     (0)  
    CaH[14C]O3+     1.595e-17   1.463e-17   -16.797   -16.835    -0.037     (0)  
-   H[14C]O2[18O]-   1.507e-18   1.378e-18   -17.822   -17.861    -0.039     (0)  
-   H[14C]O[18O]O-   1.507e-18   1.378e-18   -17.822   -17.861    -0.039     (0)  
    H[14C][18O]O2-   1.507e-18   1.378e-18   -17.822   -17.861    -0.039     (0)  
+   H[14C]O[18O]O-   1.507e-18   1.378e-18   -17.822   -17.861    -0.039     (0)  
+   H[14C]O2[18O]-   1.507e-18   1.378e-18   -17.822   -17.861    -0.039     (0)  
    Ca[14C]O3       8.742e-19   8.756e-19   -18.058   -18.058     0.001     (0)  
    [14C]O[18O]     6.534e-19   6.545e-19   -18.185   -18.184     0.001     (0)  
    [14C]O3-2       4.484e-19   3.142e-19   -18.348   -18.503    -0.155     (0)  
    CaH[14C]O2[18O]+   3.182e-20   2.919e-20   -19.497   -19.535    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.182e-20   2.919e-20   -19.497   -19.535    -0.037     (0)  
    CaH[14C][18O]O2+   3.182e-20   2.919e-20   -19.497   -19.535    -0.037     (0)  
-   Ca[14C]O2[18O]   5.232e-21   5.241e-21   -20.281   -20.281     0.001     (0)  
+   CaH[14C]O[18O]O+   3.182e-20   2.919e-20   -19.497   -19.535    -0.037     (0)  
+   Ca[14C]O2[18O]   5.233e-21   5.241e-21   -20.281   -20.281     0.001     (0)  
    H[14C]O[18O]2-   3.006e-21   2.750e-21   -20.522   -20.561    -0.039     (0)  
    H[14C][18O]2O-   3.006e-21   2.750e-21   -20.522   -20.561    -0.039     (0)  
    H[14C][18O]O[18O]-   3.006e-21   2.750e-21   -20.522   -20.561    -0.039     (0)  
@@ -39490,29 +39480,29 @@ O(0)          3.057e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.385e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.086e-16
-   O[18O]          6.074e-16   6.084e-16   -15.217   -15.216     0.001     (0)  
-   [18O]2          6.060e-19   6.070e-19   -18.218   -18.217     0.001     (0)  
+[18O](0)      2.123e-16
+   O[18O]          2.118e-16   2.122e-16   -15.674   -15.673     0.001     (0)  
+   [18O]2          2.113e-19   2.117e-19   -18.675   -18.674     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.24   -127.10   -2.86  [13C]H4
+  [13C]H4(g)     -123.32   -126.18   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.70    -21.20   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.08   -137.94   -2.86  [14C]H4
+  [14C]H4(g)     -134.17   -137.03   -2.86  [14C]H4
   [14C]O2(g)      -14.33    -15.80   -1.47  [14C]O2
   [14C]O[18O](g)  -16.72    -18.50   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.93    -18.22   -2.29  [18O]2
+  [18O]2(g)       -16.38    -18.67   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -39526,14 +39516,14 @@ O(0)          3.057e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.28   -125.14   -2.86  CH4
+  CH4(g)         -121.36   -124.22   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.40    -39.55   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.82   -2.89  O2
-  O[18O](g)       -12.62    -15.52   -2.89  O[18O]
+  O2(g)           -10.38    -13.27   -2.89  O2
+  O[18O](g)       -13.08    -15.97   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -39597,23 +39587,23 @@ Calcite                                     2.01e-02
 
      R(18O)              	 1.99519e-03	          -4.99  permil    
      R(13C)              	 1.11334e-02	        -4.1896  permil    
-     R(14C)              	 1.56985e-13	          13.35  pmc       
+     R(14C)              	 1.56987e-13	          13.35  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9915  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.016  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9915  permil    
      R(13C) CO2(aq)      	 1.10537e-02	        -11.316  permil    
-     R(14C) CO2(aq)      	 1.54745e-13	          13.16  pmc       
+     R(14C) CO2(aq)      	 1.54746e-13	          13.16  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.882  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9915  permil    
      R(13C) HCO3-        	 1.11498e-02	        -2.7148  permil    
-     R(14C) HCO3-        	 1.57449e-13	          13.39  pmc       
+     R(14C) HCO3-        	 1.57450e-13	          13.39  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9915  permil    
      R(13C) CO3-2        	 1.11338e-02	         -4.146  permil    
-     R(14C) CO3-2        	 1.56998e-13	         13.351  pmc       
+     R(14C) CO3-2        	 1.56999e-13	         13.351  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11719e-02	       -0.73948  permil    
-     R(14C) Calcite      	 1.58074e-13	         13.443  pmc       
+     R(14C) Calcite      	 1.58075e-13	         13.443  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -39623,12 +39613,12 @@ Calcite                                     2.01e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2752e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2593e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5427e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6922e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -39648,14 +39638,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.329      Adjusted to redox equilibrium
+                                       pe  =  11.163      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.127e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -39670,24 +39660,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.146  -125.145     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.813  -123.812     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -39695,23 +39685,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.283e-40
-   H2              1.641e-40   1.644e-40   -39.785   -39.784     0.001     (0)  
-O(0)          3.079e-13
-   O2              1.533e-13   1.536e-13   -12.814   -12.814     0.001     (0)  
-   O[18O]          6.119e-16   6.129e-16   -15.213   -15.213     0.001     (0)  
+H(0)          7.071e-40
+   H2              3.535e-40   3.541e-40   -39.452   -39.451     0.001     (0)  
+O(0)          6.637e-14
+   O2              3.305e-14   3.311e-14   -13.481   -13.480     0.001     (0)  
+   O[18O]          1.319e-16   1.321e-16   -15.880   -15.879     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.103  -127.102     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.770  -125.769     0.001     (0)  
 [13C](4)      6.502e-05
    H[13C]O3-       5.244e-05   4.798e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.107e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.577e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
@@ -39720,56 +39710,56 @@ O(0)          3.079e-13
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.956  -137.956     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.624  -136.623     0.001     (0)  
 [14C](4)      9.168e-16
    H[14C]O3-       7.406e-16   6.775e-16   -15.130   -15.169    -0.039     (0)  
    [14C]O2         1.541e-16   1.544e-16   -15.812   -15.811     0.001     (0)  
    CaH[14C]O3+     1.564e-17   1.435e-17   -16.806   -16.843    -0.037     (0)  
-   H[14C]O2[18O]-   1.478e-18   1.352e-18   -17.830   -17.869    -0.039     (0)  
-   H[14C]O[18O]O-   1.478e-18   1.352e-18   -17.830   -17.869    -0.039     (0)  
    H[14C][18O]O2-   1.478e-18   1.352e-18   -17.830   -17.869    -0.039     (0)  
+   H[14C]O[18O]O-   1.478e-18   1.352e-18   -17.830   -17.869    -0.039     (0)  
+   H[14C]O2[18O]-   1.478e-18   1.352e-18   -17.830   -17.869    -0.039     (0)  
    Ca[14C]O3       8.573e-19   8.587e-19   -18.067   -18.066     0.001     (0)  
    [14C]O[18O]     6.408e-19   6.418e-19   -18.193   -18.193     0.001     (0)  
    [14C]O3-2       4.398e-19   3.081e-19   -18.357   -18.511    -0.155     (0)  
    CaH[14C]O2[18O]+   3.120e-20   2.862e-20   -19.506   -19.543    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.120e-20   2.862e-20   -19.506   -19.543    -0.037     (0)  
    CaH[14C][18O]O2+   3.120e-20   2.862e-20   -19.506   -19.543    -0.037     (0)  
-   Ca[14C]O2[18O]   5.131e-21   5.140e-21   -20.290   -20.289     0.001     (0)  
-   H[14C]O[18O]2-   2.948e-21   2.697e-21   -20.530   -20.569    -0.039     (0)  
+   CaH[14C]O[18O]O+   3.120e-20   2.862e-20   -19.506   -19.543    -0.037     (0)  
+   Ca[14C]O2[18O]   5.132e-21   5.140e-21   -20.290   -20.289     0.001     (0)  
    H[14C][18O]2O-   2.948e-21   2.697e-21   -20.530   -20.569    -0.039     (0)  
    H[14C][18O]O[18O]-   2.948e-21   2.697e-21   -20.530   -20.569    -0.039     (0)  
+   H[14C]O[18O]2-   2.948e-21   2.697e-21   -20.530   -20.569    -0.039     (0)  
    [14C]O2[18O]-2   2.632e-21   1.844e-21   -20.580   -20.734    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.131e-16
-   O[18O]          6.119e-16   6.129e-16   -15.213   -15.213     0.001     (0)  
-   [18O]2          6.104e-19   6.114e-19   -18.214   -18.214     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.322e-16
+   O[18O]          1.319e-16   1.321e-16   -15.880   -15.879     0.001     (0)  
+   [18O]2          1.316e-19   1.318e-19   -18.881   -18.880     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.24   -127.10   -2.86  [13C]H4
+  [13C]H4(g)     -122.91   -125.77   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.71    -21.21   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.10   -137.96   -2.86  [14C]H4
+  [14C]H4(g)     -133.76   -136.62   -2.86  [14C]H4
   [14C]O2(g)      -14.34    -15.81   -1.47  [14C]O2
   [14C]O[18O](g)  -16.72    -18.51   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.92    -18.21   -2.29  [18O]2
+  [18O]2(g)       -16.59    -18.88   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -39783,14 +39773,14 @@ O(0)          3.079e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.29   -125.15   -2.86  CH4
+  CH4(g)         -120.95   -123.81   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.30    -39.45   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.81   -2.89  O2
-  O[18O](g)       -12.62    -15.51   -2.89  O[18O]
+  O2(g)           -10.59    -13.48   -2.89  O2
+  O[18O](g)       -13.29    -16.18   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -39854,23 +39844,23 @@ Calcite                                     2.06e-02
 
      R(18O)              	 1.99519e-03	        -4.9898  permil    
      R(13C)              	 1.11340e-02	        -4.1366  permil    
-     R(14C)              	 1.54013e-13	         13.098  pmc       
+     R(14C)              	 1.54014e-13	         13.098  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9914  permil    
      R(18O) OH-          	 1.92122e-03	        -41.879  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9914  permil    
      R(13C) CO2(aq)      	 1.10543e-02	        -11.264  permil    
-     R(14C) CO2(aq)      	 1.51815e-13	         12.911  pmc       
+     R(14C) CO2(aq)      	 1.51816e-13	         12.911  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9914  permil    
      R(13C) HCO3-        	 1.11504e-02	        -2.6617  permil    
-     R(14C) HCO3-        	 1.54468e-13	         13.136  pmc       
+     R(14C) HCO3-        	 1.54469e-13	         13.136  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9914  permil    
      R(13C) CO3-2        	 1.11344e-02	        -4.0929  permil    
-     R(14C) CO3-2        	 1.54025e-13	         13.099  pmc       
+     R(14C) CO3-2        	 1.54026e-13	         13.099  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11725e-02	       -0.68629  permil    
-     R(14C) Calcite      	 1.55080e-13	         13.188  pmc       
+     R(14C) Calcite      	 1.55081e-13	         13.188  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -39880,12 +39870,12 @@ Calcite                                     2.06e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.241e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2267e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6863e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5661e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -39905,14 +39895,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.327      Adjusted to redox equilibrium
+                                       pe  =  11.140      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.127e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -39927,14 +39917,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.131  -125.131     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.629  -123.628     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -39942,9 +39932,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -39952,81 +39942,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.311e-40
-   H2              1.655e-40   1.658e-40   -39.781   -39.780     0.001     (0)  
-O(0)          3.027e-13
-   O2              1.507e-13   1.510e-13   -12.822   -12.821     0.001     (0)  
-   O[18O]          6.015e-16   6.025e-16   -15.221   -15.220     0.001     (0)  
+H(0)          7.864e-40
+   H2              3.932e-40   3.938e-40   -39.405   -39.405     0.001     (0)  
+O(0)          5.366e-14
+   O2              2.672e-14   2.677e-14   -13.573   -13.572     0.001     (0)  
+   O[18O]          1.066e-16   1.068e-16   -15.972   -15.971     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.088  -127.087     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.585  -125.584     0.001     (0)  
 [13C](4)      6.502e-05
    H[13C]O3-       5.245e-05   4.798e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.573e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.577e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.119e-08   2.185e-08    -7.506    -7.661    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.950  -137.949     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.447  -136.447     0.001     (0)  
 [14C](4)      8.994e-16
-   H[14C]O3-       7.265e-16   6.647e-16   -15.139   -15.177    -0.039     (0)  
+   H[14C]O3-       7.266e-16   6.647e-16   -15.139   -15.177    -0.039     (0)  
    [14C]O2         1.512e-16   1.514e-16   -15.821   -15.820     0.001     (0)  
    CaH[14C]O3+     1.534e-17   1.407e-17   -16.814   -16.852    -0.037     (0)  
-   H[14C]O2[18O]-   1.450e-18   1.326e-18   -17.839   -17.877    -0.039     (0)  
-   H[14C]O[18O]O-   1.450e-18   1.326e-18   -17.839   -17.877    -0.039     (0)  
    H[14C][18O]O2-   1.450e-18   1.326e-18   -17.839   -17.877    -0.039     (0)  
+   H[14C]O[18O]O-   1.450e-18   1.326e-18   -17.839   -17.877    -0.039     (0)  
+   H[14C]O2[18O]-   1.450e-18   1.326e-18   -17.839   -17.877    -0.039     (0)  
    Ca[14C]O3       8.411e-19   8.425e-19   -18.075   -18.074     0.001     (0)  
    [14C]O[18O]     6.287e-19   6.297e-19   -18.202   -18.201     0.001     (0)  
    [14C]O3-2       4.315e-19   3.023e-19   -18.365   -18.520    -0.155     (0)  
    CaH[14C]O2[18O]+   3.061e-20   2.808e-20   -19.514   -19.552    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.061e-20   2.808e-20   -19.514   -19.552    -0.037     (0)  
    CaH[14C][18O]O2+   3.061e-20   2.808e-20   -19.514   -19.552    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.061e-20   2.808e-20   -19.514   -19.552    -0.037     (0)  
    Ca[14C]O2[18O]   5.034e-21   5.043e-21   -20.298   -20.297     0.001     (0)  
+   H[14C][18O]O[18O]-   2.892e-21   2.646e-21   -20.539   -20.577    -0.039     (0)  
    H[14C]O[18O]2-   2.892e-21   2.646e-21   -20.539   -20.577    -0.039     (0)  
    H[14C][18O]2O-   2.892e-21   2.646e-21   -20.539   -20.577    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.892e-21   2.646e-21   -20.539   -20.577    -0.039     (0)  
    [14C]O2[18O]-2   2.583e-21   1.809e-21   -20.588   -20.743    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.027e-16
-   O[18O]          6.015e-16   6.025e-16   -15.221   -15.220     0.001     (0)  
-   [18O]2          6.001e-19   6.011e-19   -18.222   -18.221     0.001     (0)  
+[18O](0)      1.069e-16
+   O[18O]          1.066e-16   1.068e-16   -15.972   -15.971     0.001     (0)  
+   [18O]2          1.064e-19   1.066e-19   -18.973   -18.972     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.23   -127.09   -2.86  [13C]H4
+  [13C]H4(g)     -122.72   -125.58   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.72    -21.22   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.09   -137.95   -2.86  [14C]H4
+  [14C]H4(g)     -133.59   -136.45   -2.86  [14C]H4
   [14C]O2(g)      -14.35    -15.82   -1.47  [14C]O2
   [14C]O[18O](g)  -16.73    -18.52   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.93    -18.22   -2.29  [18O]2
+  [18O]2(g)       -16.68    -18.97   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -40040,14 +40030,14 @@ O(0)          3.027e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.27   -125.13   -2.86  CH4
+  CH4(g)         -120.77   -123.63   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.25    -39.40   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.93    -12.82   -2.89  O2
-  O[18O](g)       -12.63    -15.52   -2.89  O[18O]
+  O2(g)           -10.68    -13.57   -2.89  O2
+  O[18O](g)       -13.38    -16.27   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -40117,17 +40107,17 @@ Calcite                                     2.11e-02
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9912  permil    
      R(13C) CO2(aq)      	 1.10548e-02	        -11.213  permil    
-     R(14C) CO2(aq)      	 1.48993e-13	         12.671  pmc       
+     R(14C) CO2(aq)      	 1.48994e-13	         12.671  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9912  permil    
      R(13C) HCO3-        	 1.11510e-02	        -2.6105  permil    
-     R(14C) HCO3-        	 1.51597e-13	         12.892  pmc       
+     R(14C) HCO3-        	 1.51598e-13	         12.892  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9912  permil    
      R(13C) CO3-2        	 1.11350e-02	        -4.0419  permil    
-     R(14C) CO3-2        	 1.51162e-13	         12.855  pmc       
+     R(14C) CO3-2        	 1.51163e-13	         12.855  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11731e-02	       -0.63507  permil    
-     R(14C) Calcite      	 1.52198e-13	         12.943  pmc       
+     R(14C) Calcite      	 1.52199e-13	         12.943  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -40137,12 +40127,12 @@ Calcite                                     2.11e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2512e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2358e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6798e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.625e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -40162,14 +40152,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.318      Adjusted to redox equilibrium
+                                       pe  =  11.131      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.127e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -40184,24 +40174,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.055  -125.054     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.559  -123.559     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -40209,50 +40199,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.269e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.459e-40
-   H2              1.730e-40   1.733e-40   -39.762   -39.761     0.001     (0)  
-O(0)          2.773e-13
-   O2              1.381e-13   1.383e-13   -12.860   -12.859     0.001     (0)  
-   O[18O]          5.510e-16   5.519e-16   -15.259   -15.258     0.001     (0)  
+H(0)          8.183e-40
+   H2              4.092e-40   4.098e-40   -39.388   -39.387     0.001     (0)  
+O(0)          4.955e-14
+   O2              2.468e-14   2.472e-14   -13.608   -13.607     0.001     (0)  
+   O[18O]          9.847e-17   9.863e-17   -16.007   -16.006     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.011  -127.011     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.516  -125.515     0.001     (0)  
 [13C](4)      6.503e-05
    H[13C]O3-       5.245e-05   4.798e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.046e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.046e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.046e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.046e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.046e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.080e-08   6.090e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.578e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.119e-08   2.185e-08    -7.506    -7.661    -0.155     (0)  
+   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.639e-10   3.645e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.882  -137.881     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.386  -136.385     0.001     (0)  
 [14C](4)      8.827e-16
    H[14C]O3-       7.130e-16   6.523e-16   -15.147   -15.186    -0.039     (0)  
    [14C]O2         1.484e-16   1.486e-16   -15.829   -15.828     0.001     (0)  
    CaH[14C]O3+     1.506e-17   1.381e-17   -16.822   -16.860    -0.037     (0)  
-   H[14C]O2[18O]-   1.423e-18   1.302e-18   -17.847   -17.886    -0.039     (0)  
-   H[14C]O[18O]O-   1.423e-18   1.302e-18   -17.847   -17.886    -0.039     (0)  
    H[14C][18O]O2-   1.423e-18   1.302e-18   -17.847   -17.886    -0.039     (0)  
+   H[14C]O[18O]O-   1.423e-18   1.302e-18   -17.847   -17.886    -0.039     (0)  
+   H[14C]O2[18O]-   1.423e-18   1.302e-18   -17.847   -17.886    -0.039     (0)  
    Ca[14C]O3       8.254e-19   8.268e-19   -18.083   -18.083     0.001     (0)  
    [14C]O[18O]     6.170e-19   6.180e-19   -18.210   -18.209     0.001     (0)  
    [14C]O3-2       4.234e-19   2.966e-19   -18.373   -18.528    -0.155     (0)  
    CaH[14C]O2[18O]+   3.004e-20   2.756e-20   -19.522   -19.560    -0.037     (0)  
-   CaH[14C]O[18O]O+   3.004e-20   2.756e-20   -19.522   -19.560    -0.037     (0)  
    CaH[14C][18O]O2+   3.004e-20   2.756e-20   -19.522   -19.560    -0.037     (0)  
+   CaH[14C]O[18O]O+   3.004e-20   2.756e-20   -19.522   -19.560    -0.037     (0)  
    Ca[14C]O2[18O]   4.941e-21   4.949e-21   -20.306   -20.305     0.001     (0)  
    H[14C]O[18O]2-   2.838e-21   2.597e-21   -20.547   -20.586    -0.039     (0)  
    H[14C][18O]2O-   2.838e-21   2.597e-21   -20.547   -20.586    -0.039     (0)  
@@ -40261,29 +40251,29 @@ O(0)          2.773e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.521e-16
-   O[18O]          5.510e-16   5.519e-16   -15.259   -15.258     0.001     (0)  
-   [18O]2          5.497e-19   5.506e-19   -18.260   -18.259     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      9.867e-17
+   O[18O]          9.847e-17   9.863e-17   -16.007   -16.006     0.001     (0)  
+   [18O]2          9.824e-20   9.840e-20   -19.008   -19.007     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.15   -127.01   -2.86  [13C]H4
+  [13C]H4(g)     -122.66   -125.52   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.72    -21.23   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.02   -137.88   -2.86  [14C]H4
+  [14C]H4(g)     -133.53   -136.39   -2.86  [14C]H4
   [14C]O2(g)      -14.36    -15.83   -1.47  [14C]O2
   [14C]O[18O](g)  -16.74    -18.53   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.97    -18.26   -2.29  [18O]2
+  [18O]2(g)       -16.72    -19.01   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -40297,14 +40287,14 @@ O(0)          2.773e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.19   -125.05   -2.86  CH4
+  CH4(g)         -120.70   -123.56   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.24    -39.39   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.97    -12.86   -2.89  O2
-  O[18O](g)       -12.67    -15.56   -2.89  O[18O]
+  O2(g)           -10.71    -13.61   -2.89  O2
+  O[18O](g)       -13.41    -16.31   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -40368,23 +40358,23 @@ Calcite                                     2.16e-02
 
      R(18O)              	 1.99519e-03	        -4.9896  permil    
      R(13C)              	 1.11351e-02	        -4.0364  permil    
-     R(14C)              	 1.48393e-13	          12.62  pmc       
+     R(14C)              	 1.48394e-13	          12.62  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9911  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9911  permil    
      R(13C) CO2(aq)      	 1.10554e-02	        -11.164  permil    
-     R(14C) CO2(aq)      	 1.46275e-13	          12.44  pmc       
+     R(14C) CO2(aq)      	 1.46276e-13	          12.44  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9911  permil    
      R(13C) HCO3-        	 1.11516e-02	        -2.5613  permil    
-     R(14C) HCO3-        	 1.48831e-13	         12.657  pmc       
+     R(14C) HCO3-        	 1.48832e-13	         12.657  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9911  permil    
      R(13C) CO3-2        	 1.11356e-02	        -3.9927  permil    
-     R(14C) CO3-2        	 1.48404e-13	         12.621  pmc       
+     R(14C) CO3-2        	 1.48405e-13	         12.621  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11737e-02	       -0.58571  permil    
-     R(14C) Calcite      	 1.49421e-13	         12.707  pmc       
+     R(14C) Calcite      	 1.49422e-13	         12.707  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -40394,12 +40384,12 @@ Calcite                                     2.16e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2732e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2902e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.6605e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6359e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7165e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -40419,14 +40409,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.320      Adjusted to redox equilibrium
+                                       pe  =  11.091      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.823e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -40441,13 +40431,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.075  -125.074     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.244  -123.243     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -40456,9 +40446,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -40466,23 +40456,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.420e-40
-   H2              1.710e-40   1.713e-40   -39.767   -39.766     0.001     (0)  
-O(0)          2.836e-13
-   O2              1.412e-13   1.415e-13   -12.850   -12.849     0.001     (0)  
-   O[18O]          5.636e-16   5.646e-16   -15.249   -15.248     0.001     (0)  
+H(0)          9.814e-40
+   H2              4.907e-40   4.915e-40   -39.309   -39.308     0.001     (0)  
+O(0)          3.445e-14
+   O2              1.716e-14   1.719e-14   -13.766   -13.765     0.001     (0)  
+   O[18O]          6.846e-17   6.858e-17   -16.165   -16.164     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.031  -127.030     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.200  -125.199     0.001     (0)  
 [13C](4)      6.503e-05
    H[13C]O3-       5.245e-05   4.799e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.574e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.578e-08   4.585e-08    -7.339    -7.339     0.001     (0)  
@@ -40491,56 +40481,56 @@ O(0)          2.836e-13
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.910  -137.909     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.078  -136.078     0.001     (0)  
 [14C](4)      8.666e-16
    H[14C]O3-       7.000e-16   6.404e-16   -15.155   -15.194    -0.039     (0)  
    [14C]O2         1.457e-16   1.459e-16   -15.837   -15.836     0.001     (0)  
    CaH[14C]O3+     1.478e-17   1.356e-17   -16.830   -16.868    -0.037     (0)  
-   H[14C]O2[18O]-   1.397e-18   1.278e-18   -17.855   -17.894    -0.039     (0)  
-   H[14C]O[18O]O-   1.397e-18   1.278e-18   -17.855   -17.894    -0.039     (0)  
    H[14C][18O]O2-   1.397e-18   1.278e-18   -17.855   -17.894    -0.039     (0)  
+   H[14C]O[18O]O-   1.397e-18   1.278e-18   -17.855   -17.894    -0.039     (0)  
+   H[14C]O2[18O]-   1.397e-18   1.278e-18   -17.855   -17.894    -0.039     (0)  
    Ca[14C]O3       8.104e-19   8.117e-19   -18.091   -18.091     0.001     (0)  
    [14C]O[18O]     6.057e-19   6.067e-19   -18.218   -18.217     0.001     (0)  
    [14C]O3-2       4.157e-19   2.912e-19   -18.381   -18.536    -0.155     (0)  
    CaH[14C]O2[18O]+   2.949e-20   2.706e-20   -19.530   -19.568    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.949e-20   2.706e-20   -19.530   -19.568    -0.037     (0)  
    CaH[14C][18O]O2+   2.949e-20   2.706e-20   -19.530   -19.568    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.949e-20   2.706e-20   -19.530   -19.568    -0.037     (0)  
    Ca[14C]O2[18O]   4.851e-21   4.859e-21   -20.314   -20.313     0.001     (0)  
-   H[14C]O[18O]2-   2.787e-21   2.549e-21   -20.555   -20.594    -0.039     (0)  
    H[14C][18O]2O-   2.787e-21   2.549e-21   -20.555   -20.594    -0.039     (0)  
    H[14C][18O]O[18O]-   2.787e-21   2.549e-21   -20.555   -20.594    -0.039     (0)  
+   H[14C]O[18O]2-   2.787e-21   2.549e-21   -20.555   -20.594    -0.039     (0)  
    [14C]O2[18O]-2   2.488e-21   1.743e-21   -20.604   -20.759    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.648e-16
-   O[18O]          5.636e-16   5.646e-16   -15.249   -15.248     0.001     (0)  
-   [18O]2          5.623e-19   5.632e-19   -18.250   -18.249     0.001     (0)  
+[18O](0)      6.860e-17
+   O[18O]          6.846e-17   6.858e-17   -16.165   -16.164     0.001     (0)  
+   [18O]2          6.830e-20   6.841e-20   -19.166   -19.165     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.17   -127.03   -2.86  [13C]H4
+  [13C]H4(g)     -122.34   -125.20   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.73    -21.24   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.05   -137.91   -2.86  [14C]H4
+  [14C]H4(g)     -133.22   -136.08   -2.86  [14C]H4
   [14C]O2(g)      -14.37    -15.84   -1.47  [14C]O2
   [14C]O[18O](g)  -16.75    -18.54   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.87    -19.16   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -40554,14 +40544,14 @@ O(0)          2.836e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -120.38   -123.24   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.16    -39.31   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.87    -13.76   -2.89  O2
+  O[18O](g)       -13.57    -16.46   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -40625,23 +40615,23 @@ Calcite                                     2.21e-02
 
      R(18O)              	 1.99520e-03	        -4.9894  permil    
      R(13C)              	 1.11356e-02	        -3.9889  permil    
-     R(14C)              	 1.45734e-13	         12.394  pmc       
+     R(14C)              	 1.45735e-13	         12.394  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9909  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9909  permil    
      R(13C) CO2(aq)      	 1.10559e-02	        -11.117  permil    
-     R(14C) CO2(aq)      	 1.43654e-13	         12.217  pmc       
+     R(14C) CO2(aq)      	 1.43655e-13	         12.217  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9909  permil    
      R(13C) HCO3-        	 1.11521e-02	        -2.5138  permil    
-     R(14C) HCO3-        	 1.46164e-13	          12.43  pmc       
+     R(14C) HCO3-        	 1.46165e-13	          12.43  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9909  permil    
      R(13C) CO3-2        	 1.11361e-02	        -3.9453  permil    
-     R(14C) CO3-2        	 1.45745e-13	         12.394  pmc       
+     R(14C) CO3-2        	 1.45746e-13	         12.395  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.655  permil    
      R(13C) Calcite      	 1.11742e-02	       -0.53813  permil    
-     R(14C) Calcite      	 1.46744e-13	         12.479  pmc       
+     R(14C) Calcite      	 1.46745e-13	         12.479  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -40651,12 +40641,12 @@ Calcite                                     2.21e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2405e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2589e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7378e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6137e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -40676,14 +40666,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.320      Adjusted to redox equilibrium
+                                       pe  =  11.142      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.822e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -40698,24 +40688,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.071  -125.071     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.651  -123.651     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -40723,81 +40713,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.427e-40
-   H2              1.713e-40   1.716e-40   -39.766   -39.765     0.001     (0)  
-O(0)          2.826e-13
-   O2              1.407e-13   1.410e-13   -12.852   -12.851     0.001     (0)  
-   O[18O]          5.615e-16   5.624e-16   -15.251   -15.250     0.001     (0)  
+H(0)          7.761e-40
+   H2              3.880e-40   3.887e-40   -39.411   -39.410     0.001     (0)  
+O(0)          5.509e-14
+   O2              2.744e-14   2.748e-14   -13.562   -13.561     0.001     (0)  
+   O[18O]          1.095e-16   1.097e-16   -15.961   -15.960     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.028  -127.027     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.608  -125.607     0.001     (0)  
 [13C](4)      6.503e-05
    H[13C]O3-       5.245e-05   4.799e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.958     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.578e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.119e-08   2.185e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.914  -137.913     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.494  -136.493     0.001     (0)  
 [14C](4)      8.511e-16
    H[14C]O3-       6.875e-16   6.290e-16   -15.163   -15.201    -0.039     (0)  
    [14C]O2         1.431e-16   1.433e-16   -15.845   -15.844     0.001     (0)  
    CaH[14C]O3+     1.452e-17   1.332e-17   -16.838   -16.876    -0.037     (0)  
-   H[14C]O2[18O]-   1.372e-18   1.255e-18   -17.863   -17.901    -0.039     (0)  
-   H[14C]O[18O]O-   1.372e-18   1.255e-18   -17.863   -17.901    -0.039     (0)  
    H[14C][18O]O2-   1.372e-18   1.255e-18   -17.863   -17.901    -0.039     (0)  
+   H[14C]O[18O]O-   1.372e-18   1.255e-18   -17.863   -17.901    -0.039     (0)  
+   H[14C]O2[18O]-   1.372e-18   1.255e-18   -17.863   -17.901    -0.039     (0)  
    Ca[14C]O3       7.959e-19   7.972e-19   -18.099   -18.098     0.001     (0)  
    [14C]O[18O]     5.949e-19   5.958e-19   -18.226   -18.225     0.001     (0)  
    [14C]O3-2       4.083e-19   2.860e-19   -18.389   -18.544    -0.155     (0)  
    CaH[14C]O2[18O]+   2.897e-20   2.657e-20   -19.538   -19.576    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.897e-20   2.657e-20   -19.538   -19.576    -0.037     (0)  
    CaH[14C][18O]O2+   2.897e-20   2.657e-20   -19.538   -19.576    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.897e-20   2.657e-20   -19.538   -19.576    -0.037     (0)  
    Ca[14C]O2[18O]   4.764e-21   4.772e-21   -20.322   -20.321     0.001     (0)  
+   H[14C][18O]O[18O]-   2.737e-21   2.504e-21   -20.563   -20.601    -0.039     (0)  
    H[14C]O[18O]2-   2.737e-21   2.504e-21   -20.563   -20.601    -0.039     (0)  
    H[14C][18O]2O-   2.737e-21   2.504e-21   -20.563   -20.601    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.737e-21   2.504e-21   -20.563   -20.601    -0.039     (0)  
    [14C]O2[18O]-2   2.444e-21   1.712e-21   -20.612   -20.767    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.626e-16
-   O[18O]          5.615e-16   5.624e-16   -15.251   -15.250     0.001     (0)  
-   [18O]2          5.602e-19   5.611e-19   -18.252   -18.251     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.097e-16
+   O[18O]          1.095e-16   1.097e-16   -15.961   -15.960     0.001     (0)  
+   [18O]2          1.092e-19   1.094e-19   -18.962   -18.961     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.17   -127.03   -2.86  [13C]H4
+  [13C]H4(g)     -122.75   -125.61   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.74    -21.24   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.05   -137.91   -2.86  [14C]H4
+  [14C]H4(g)     -133.63   -136.49   -2.86  [14C]H4
   [14C]O2(g)      -14.38    -15.84   -1.47  [14C]O2
   [14C]O[18O](g)  -16.76    -18.54   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.67    -18.96   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -40811,14 +40801,14 @@ O(0)          2.826e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -120.79   -123.65   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.26    -39.41   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.67    -13.56   -2.89  O2
+  O[18O](g)       -13.37    -16.26   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -40882,23 +40872,23 @@ Calcite                                     2.26e-02
 
      R(18O)              	 1.99520e-03	        -4.9893  permil    
      R(13C)              	 1.11361e-02	        -3.9432  permil    
-     R(14C)              	 1.43168e-13	         12.175  pmc       
+     R(14C)              	 1.43169e-13	         12.175  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9908  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9908  permil    
      R(13C) CO2(aq)      	 1.10564e-02	        -11.072  permil    
-     R(14C) CO2(aq)      	 1.41125e-13	         12.002  pmc       
+     R(14C) CO2(aq)      	 1.41126e-13	         12.002  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9908  permil    
      R(13C) HCO3-        	 1.11526e-02	         -2.468  permil    
-     R(14C) HCO3-        	 1.43591e-13	         12.211  pmc       
+     R(14C) HCO3-        	 1.43592e-13	         12.211  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9908  permil    
      R(13C) CO3-2        	 1.11366e-02	        -3.8995  permil    
-     R(14C) CO3-2        	 1.43179e-13	         12.176  pmc       
+     R(14C) CO3-2        	 1.43180e-13	         12.176  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.656  permil    
      R(13C) Calcite      	 1.11747e-02	       -0.49222  permil    
-     R(14C) Calcite      	 1.44161e-13	          12.26  pmc       
+     R(14C) Calcite      	 1.44162e-13	          12.26  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -40908,12 +40898,12 @@ Calcite                                     2.26e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2712e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7017e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5783e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -40933,14 +40923,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.329      Adjusted to redox equilibrium
+                                       pe  =  11.171      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.822e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -40955,14 +40945,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.141  -125.141     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.877  -123.876     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.975e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -40970,9 +40960,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -40980,50 +40970,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.292e-40
-   H2              1.646e-40   1.649e-40   -39.784   -39.783     0.001     (0)  
-O(0)          3.062e-13
-   O2              1.525e-13   1.527e-13   -12.817   -12.816     0.001     (0)  
-   O[18O]          6.085e-16   6.095e-16   -15.216   -15.215     0.001     (0)  
+H(0)          6.815e-40
+   H2              3.407e-40   3.413e-40   -39.468   -39.467     0.001     (0)  
+O(0)          7.145e-14
+   O2              3.558e-14   3.564e-14   -13.449   -13.448     0.001     (0)  
+   O[18O]          1.420e-16   1.422e-16   -15.848   -15.847     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.098  -127.097     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.834  -125.833     0.001     (0)  
 [13C](4)      6.503e-05
    H[13C]O3-       5.246e-05   4.799e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.575e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.081e-08   6.091e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.578e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.120e-08   2.185e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.910e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.992  -137.991     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.728  -136.727     0.001     (0)  
 [14C](4)      8.361e-16
    H[14C]O3-       6.754e-16   6.179e-16   -15.170   -15.209    -0.039     (0)  
    [14C]O2         1.405e-16   1.408e-16   -15.852   -15.852     0.001     (0)  
    CaH[14C]O3+     1.426e-17   1.308e-17   -16.846   -16.883    -0.037     (0)  
-   H[14C]O2[18O]-   1.348e-18   1.233e-18   -17.870   -17.909    -0.039     (0)  
-   H[14C]O[18O]O-   1.348e-18   1.233e-18   -17.870   -17.909    -0.039     (0)  
    H[14C][18O]O2-   1.348e-18   1.233e-18   -17.870   -17.909    -0.039     (0)  
-   Ca[14C]O3       7.818e-19   7.831e-19   -18.107   -18.106     0.001     (0)  
-   [14C]O[18O]     5.844e-19   5.853e-19   -18.233   -18.233     0.001     (0)  
+   H[14C]O[18O]O-   1.348e-18   1.233e-18   -17.870   -17.909    -0.039     (0)  
+   H[14C]O2[18O]-   1.348e-18   1.233e-18   -17.870   -17.909    -0.039     (0)  
+   Ca[14C]O3       7.819e-19   7.831e-19   -18.107   -18.106     0.001     (0)  
+   [14C]O[18O]     5.844e-19   5.854e-19   -18.233   -18.233     0.001     (0)  
    [14C]O3-2       4.011e-19   2.810e-19   -18.397   -18.551    -0.155     (0)  
    CaH[14C]O2[18O]+   2.846e-20   2.610e-20   -19.546   -19.583    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.846e-20   2.610e-20   -19.546   -19.583    -0.037     (0)  
    CaH[14C][18O]O2+   2.846e-20   2.610e-20   -19.546   -19.583    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.846e-20   2.610e-20   -19.546   -19.583    -0.037     (0)  
    Ca[14C]O2[18O]   4.680e-21   4.688e-21   -20.330   -20.329     0.001     (0)  
    H[14C]O[18O]2-   2.689e-21   2.460e-21   -20.570   -20.609    -0.039     (0)  
    H[14C][18O]2O-   2.689e-21   2.460e-21   -20.570   -20.609    -0.039     (0)  
@@ -41032,29 +41022,29 @@ O(0)          3.062e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.097e-16
-   O[18O]          6.085e-16   6.095e-16   -15.216   -15.215     0.001     (0)  
-   [18O]2          6.070e-19   6.080e-19   -18.217   -18.216     0.001     (0)  
+[18O](0)      1.423e-16
+   O[18O]          1.420e-16   1.422e-16   -15.848   -15.847     0.001     (0)  
+   [18O]2          1.416e-19   1.419e-19   -18.849   -18.848     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.24   -127.10   -2.86  [13C]H4
+  [13C]H4(g)     -122.97   -125.83   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.75    -21.25   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.13   -137.99   -2.86  [14C]H4
+  [14C]H4(g)     -133.87   -136.73   -2.86  [14C]H4
   [14C]O2(g)      -14.38    -15.85   -1.47  [14C]O2
   [14C]O[18O](g)  -16.76    -18.55   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.93    -18.22   -2.29  [18O]2
+  [18O]2(g)       -16.56    -18.85   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -41068,14 +41058,14 @@ O(0)          3.062e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.28   -125.14   -2.86  CH4
+  CH4(g)         -121.02   -123.88   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.32    -39.47   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.82   -2.89  O2
-  O[18O](g)       -12.62    -15.52   -2.89  O[18O]
+  O2(g)           -10.56    -13.45   -2.89  O2
+  O[18O](g)       -13.26    -16.15   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -41139,23 +41129,23 @@ Calcite                                     2.31e-02
 
      R(18O)              	 1.99520e-03	        -4.9891  permil    
      R(13C)              	 1.11366e-02	         -3.899  permil    
-     R(14C)              	 1.40692e-13	         11.965  pmc       
+     R(14C)              	 1.40693e-13	         11.965  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9907  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9907  permil    
      R(13C) CO2(aq)      	 1.10569e-02	        -11.028  permil    
-     R(14C) CO2(aq)      	 1.38684e-13	         11.794  pmc       
+     R(14C) CO2(aq)      	 1.38685e-13	         11.794  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9907  permil    
      R(13C) HCO3-        	 1.11531e-02	        -2.4237  permil    
-     R(14C) HCO3-        	 1.41107e-13	             12  pmc       
+     R(14C) HCO3-        	 1.41108e-13	             12  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9907  permil    
      R(13C) CO3-2        	 1.11371e-02	        -3.8554  permil    
-     R(14C) CO3-2        	 1.40703e-13	         11.966  pmc       
+     R(14C) CO3-2        	 1.40704e-13	         11.966  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.656  permil    
      R(13C) Calcite      	 1.11752e-02	       -0.44789  permil    
-     R(14C) Calcite      	 1.41667e-13	         12.048  pmc       
+     R(14C) Calcite      	 1.41668e-13	         12.048  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -41165,12 +41155,12 @@ Calcite                                     2.31e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2797e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2645e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7285e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7417e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -41190,14 +41180,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.327      Adjusted to redox equilibrium
+                                       pe  =  11.165      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.822e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -41212,24 +41202,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.131  -125.130     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.831  -123.830     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -41237,23 +41227,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.311e-40
-   H2              1.656e-40   1.658e-40   -39.781   -39.780     0.001     (0)  
-O(0)          3.027e-13
-   O2              1.507e-13   1.510e-13   -12.822   -12.821     0.001     (0)  
-   O[18O]          6.015e-16   6.025e-16   -15.221   -15.220     0.001     (0)  
+H(0)          6.998e-40
+   H2              3.499e-40   3.505e-40   -39.456   -39.455     0.001     (0)  
+O(0)          6.776e-14
+   O2              3.375e-14   3.380e-14   -13.472   -13.471     0.001     (0)  
+   O[18O]          1.347e-16   1.349e-16   -15.871   -15.870     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.087  -127.087     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.788  -125.787     0.001     (0)  
 [13C](4)      6.504e-05
    H[13C]O3-       5.246e-05   4.799e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
@@ -41262,56 +41252,56 @@ O(0)          3.027e-13
    CaH[13C]O[18O]O+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.027e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.989  -137.988     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.689  -136.688     0.001     (0)  
 [14C](4)      8.216e-16
    H[14C]O3-       6.637e-16   6.072e-16   -15.178   -15.217    -0.039     (0)  
    [14C]O2         1.381e-16   1.383e-16   -15.860   -15.859     0.001     (0)  
    CaH[14C]O3+     1.402e-17   1.286e-17   -16.853   -16.891    -0.037     (0)  
-   H[14C]O2[18O]-   1.324e-18   1.211e-18   -17.878   -17.917    -0.039     (0)  
-   H[14C]O[18O]O-   1.324e-18   1.211e-18   -17.878   -17.917    -0.039     (0)  
    H[14C][18O]O2-   1.324e-18   1.211e-18   -17.878   -17.917    -0.039     (0)  
+   H[14C]O[18O]O-   1.324e-18   1.211e-18   -17.878   -17.917    -0.039     (0)  
+   H[14C]O2[18O]-   1.324e-18   1.211e-18   -17.878   -17.917    -0.039     (0)  
    Ca[14C]O3       7.683e-19   7.696e-19   -18.114   -18.114     0.001     (0)  
    [14C]O[18O]     5.743e-19   5.752e-19   -18.241   -18.240     0.001     (0)  
    [14C]O3-2       3.941e-19   2.761e-19   -18.404   -18.559    -0.155     (0)  
    CaH[14C]O2[18O]+   2.796e-20   2.565e-20   -19.553   -19.591    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.796e-20   2.565e-20   -19.553   -19.591    -0.037     (0)  
    CaH[14C][18O]O2+   2.796e-20   2.565e-20   -19.553   -19.591    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.796e-20   2.565e-20   -19.553   -19.591    -0.037     (0)  
    Ca[14C]O2[18O]   4.599e-21   4.606e-21   -20.337   -20.337     0.001     (0)  
-   H[14C]O[18O]2-   2.642e-21   2.417e-21   -20.578   -20.617    -0.039     (0)  
    H[14C][18O]2O-   2.642e-21   2.417e-21   -20.578   -20.617    -0.039     (0)  
    H[14C][18O]O[18O]-   2.642e-21   2.417e-21   -20.578   -20.617    -0.039     (0)  
+   H[14C]O[18O]2-   2.642e-21   2.417e-21   -20.578   -20.617    -0.039     (0)  
    [14C]O2[18O]-2   2.359e-21   1.653e-21   -20.627   -20.782    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.027e-16
-   O[18O]          6.015e-16   6.025e-16   -15.221   -15.220     0.001     (0)  
-   [18O]2          6.000e-19   6.010e-19   -18.222   -18.221     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.349e-16
+   O[18O]          1.347e-16   1.349e-16   -15.871   -15.870     0.001     (0)  
+   [18O]2          1.343e-19   1.346e-19   -18.872   -18.871     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.23   -127.09   -2.86  [13C]H4
+  [13C]H4(g)     -122.93   -125.79   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.76    -21.26   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.13   -137.99   -2.86  [14C]H4
+  [14C]H4(g)     -133.83   -136.69   -2.86  [14C]H4
   [14C]O2(g)      -14.39    -15.86   -1.47  [14C]O2
   [14C]O[18O](g)  -16.77    -18.56   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.93    -18.22   -2.29  [18O]2
+  [18O]2(g)       -16.58    -18.87   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -41325,14 +41315,14 @@ O(0)          3.027e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.27   -125.13   -2.86  CH4
+  CH4(g)         -120.97   -123.83   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.31    -39.46   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.93    -12.82   -2.89  O2
-  O[18O](g)       -12.63    -15.52   -2.89  O[18O]
+  O2(g)           -10.58    -13.47   -2.89  O2
+  O[18O](g)       -13.28    -16.17   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -41396,7 +41386,7 @@ Calcite                                     2.36e-02
 
      R(18O)              	 1.99520e-03	         -4.989  permil    
      R(13C)              	 1.11371e-02	        -3.8563  permil    
-     R(14C)              	 1.38299e-13	         11.761  pmc       
+     R(14C)              	 1.38300e-13	         11.761  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9905  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.017  permil    
@@ -41406,13 +41396,13 @@ Calcite                                     2.36e-02
      R(18O) CO2(aq)      	 2.07916e-03	         36.883  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9905  permil    
      R(13C) HCO3-        	 1.11536e-02	         -2.381  permil    
-     R(14C) HCO3-        	 1.38708e-13	         11.796  pmc       
+     R(14C) HCO3-        	 1.38709e-13	         11.796  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9905  permil    
      R(13C) CO3-2        	 1.11376e-02	        -3.8127  permil    
-     R(14C) CO3-2        	 1.38310e-13	         11.762  pmc       
+     R(14C) CO3-2        	 1.38311e-13	         11.762  pmc       
      R(18O) Calcite      	 2.05263e-03	         23.656  permil    
      R(13C) Calcite      	 1.11757e-02	       -0.40507  permil    
-     R(14C) Calcite      	 1.39258e-13	         11.843  pmc       
+     R(14C) Calcite      	 1.39259e-13	         11.843  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -41422,12 +41412,12 @@ Calcite                                     2.36e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2569e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2732e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6174e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6309e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -41447,14 +41437,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.326      Adjusted to redox equilibrium
+                                       pe  =  11.180      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.822e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -41469,14 +41459,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.120  -125.119     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.954  -123.953     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -41484,9 +41474,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -41494,81 +41484,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.333e-40
-   H2              1.667e-40   1.669e-40   -39.778   -39.777     0.001     (0)  
-O(0)          2.987e-13
-   O2              1.487e-13   1.490e-13   -12.828   -12.827     0.001     (0)  
-   O[18O]          5.935e-16   5.945e-16   -15.227   -15.226     0.001     (0)  
+H(0)          6.520e-40
+   H2              3.260e-40   3.265e-40   -39.487   -39.486     0.001     (0)  
+O(0)          7.806e-14
+   O2              3.887e-14   3.894e-14   -13.410   -13.410     0.001     (0)  
+   O[18O]          1.551e-16   1.554e-16   -15.809   -15.809     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.076  -127.075     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.910  -125.910     0.001     (0)  
 [13C](4)      6.504e-05
    H[13C]O3-       5.246e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.120e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.985  -137.984     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.819  -136.819     0.001     (0)  
 [14C](4)      8.077e-16
    H[14C]O3-       6.524e-16   5.969e-16   -15.185   -15.224    -0.039     (0)  
    [14C]O2         1.358e-16   1.360e-16   -15.867   -15.867     0.001     (0)  
    CaH[14C]O3+     1.378e-17   1.264e-17   -16.861   -16.898    -0.037     (0)  
-   H[14C]O2[18O]-   1.302e-18   1.191e-18   -17.885   -17.924    -0.039     (0)  
-   H[14C]O[18O]O-   1.302e-18   1.191e-18   -17.885   -17.924    -0.039     (0)  
    H[14C][18O]O2-   1.302e-18   1.191e-18   -17.885   -17.924    -0.039     (0)  
+   H[14C]O[18O]O-   1.302e-18   1.191e-18   -17.885   -17.924    -0.039     (0)  
+   H[14C]O2[18O]-   1.302e-18   1.191e-18   -17.885   -17.924    -0.039     (0)  
    Ca[14C]O3       7.553e-19   7.565e-19   -18.122   -18.121     0.001     (0)  
    [14C]O[18O]     5.645e-19   5.654e-19   -18.248   -18.248     0.001     (0)  
    [14C]O3-2       3.874e-19   2.714e-19   -18.412   -18.566    -0.155     (0)  
    CaH[14C]O2[18O]+   2.749e-20   2.522e-20   -19.561   -19.598    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.749e-20   2.522e-20   -19.561   -19.598    -0.037     (0)  
    CaH[14C][18O]O2+   2.749e-20   2.522e-20   -19.561   -19.598    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.749e-20   2.522e-20   -19.561   -19.598    -0.037     (0)  
    Ca[14C]O2[18O]   4.521e-21   4.528e-21   -20.345   -20.344     0.001     (0)  
+   H[14C][18O]O[18O]-   2.597e-21   2.376e-21   -20.586   -20.624    -0.039     (0)  
    H[14C]O[18O]2-   2.597e-21   2.376e-21   -20.586   -20.624    -0.039     (0)  
    H[14C][18O]2O-   2.597e-21   2.376e-21   -20.586   -20.624    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.597e-21   2.376e-21   -20.586   -20.624    -0.039     (0)  
    [14C]O2[18O]-2   2.319e-21   1.625e-21   -20.635   -20.789    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.947e-16
-   O[18O]          5.935e-16   5.945e-16   -15.227   -15.226     0.001     (0)  
-   [18O]2          5.921e-19   5.931e-19   -18.228   -18.227     0.001     (0)  
+[18O](0)      1.554e-16
+   O[18O]          1.551e-16   1.554e-16   -15.809   -15.809     0.001     (0)  
+   [18O]2          1.547e-19   1.550e-19   -18.810   -18.810     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.22   -127.08   -2.86  [13C]H4
+  [13C]H4(g)     -123.05   -125.91   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.76    -21.27   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.12   -137.98   -2.86  [14C]H4
+  [14C]H4(g)     -133.96   -136.82   -2.86  [14C]H4
   [14C]O2(g)      -14.40    -15.87   -1.47  [14C]O2
   [14C]O[18O](g)  -16.78    -18.57   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.94    -18.23   -2.29  [18O]2
+  [18O]2(g)       -16.52    -18.81   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -41582,14 +41572,14 @@ O(0)          2.987e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.26   -125.12   -2.86  CH4
+  CH4(g)         -121.09   -123.95   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.63    -39.78   -3.15  H2
+  H2(g)           -36.34    -39.49   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.93    -12.83   -2.89  O2
-  O[18O](g)       -12.63    -15.53   -2.89  O[18O]
+  O2(g)           -10.52    -13.41   -2.89  O2
+  O[18O](g)       -13.22    -16.11   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -41653,17 +41643,17 @@ Calcite                                     2.41e-02
 
      R(18O)              	 1.99520e-03	        -4.9889  permil    
      R(13C)              	 1.11375e-02	        -3.8151  permil    
-     R(14C)              	 1.35987e-13	         11.565  pmc       
+     R(14C)              	 1.35988e-13	         11.565  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9904  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9904  permil    
      R(13C) CO2(aq)      	 1.10578e-02	        -10.944  permil    
-     R(14C) CO2(aq)      	 1.34046e-13	           11.4  pmc       
+     R(14C) CO2(aq)      	 1.34047e-13	           11.4  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9904  permil    
      R(13C) HCO3-        	 1.11540e-02	        -2.3397  permil    
-     R(14C) HCO3-        	 1.36389e-13	         11.599  pmc       
+     R(14C) HCO3-        	 1.36390e-13	         11.599  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9904  permil    
      R(13C) CO3-2        	 1.11380e-02	        -3.7714  permil    
      R(14C) CO3-2        	 1.35998e-13	         11.566  pmc       
@@ -41679,12 +41669,12 @@ Calcite                                     2.41e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2464e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2301e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1     -1.57e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5804e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -41704,14 +41694,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.321      Adjusted to redox equilibrium
+                                       pe  =  11.119      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -41726,24 +41716,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.082  -125.081     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.462  -123.462     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -41751,50 +41741,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.406e-40
-   H2              1.703e-40   1.706e-40   -39.769   -39.768     0.001     (0)  
-O(0)          2.860e-13
-   O2              1.424e-13   1.426e-13   -12.846   -12.846     0.001     (0)  
-   O[18O]          5.683e-16   5.692e-16   -15.245   -15.245     0.001     (0)  
+H(0)          8.653e-40
+   H2              4.326e-40   4.333e-40   -39.364   -39.363     0.001     (0)  
+O(0)          4.432e-14
+   O2              2.207e-14   2.211e-14   -13.656   -13.655     0.001     (0)  
+   O[18O]          8.808e-17   8.823e-17   -16.055   -16.054     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.038  -127.037     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.419  -125.418     0.001     (0)  
 [13C](4)      6.504e-05
    H[13C]O3-       5.246e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.956    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.576e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.586e-08    -7.339    -7.339     0.001     (0)  
    [13C]O3-2       3.120e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.640e-10   3.646e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.088e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.867e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.955  -137.954     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.335  -136.335     0.001     (0)  
 [14C](4)      7.942e-16
    H[14C]O3-       6.415e-16   5.869e-16   -15.193   -15.231    -0.039     (0)  
    [14C]O2         1.335e-16   1.337e-16   -15.875   -15.874     0.001     (0)  
    CaH[14C]O3+     1.355e-17   1.243e-17   -16.868   -16.906    -0.037     (0)  
-   H[14C]O2[18O]-   1.280e-18   1.171e-18   -17.893   -17.931    -0.039     (0)  
-   H[14C]O[18O]O-   1.280e-18   1.171e-18   -17.893   -17.931    -0.039     (0)  
    H[14C][18O]O2-   1.280e-18   1.171e-18   -17.893   -17.931    -0.039     (0)  
+   H[14C]O[18O]O-   1.280e-18   1.171e-18   -17.893   -17.931    -0.039     (0)  
+   H[14C]O2[18O]-   1.280e-18   1.171e-18   -17.893   -17.931    -0.039     (0)  
    Ca[14C]O3       7.426e-19   7.439e-19   -18.129   -18.129     0.001     (0)  
    [14C]O[18O]     5.551e-19   5.560e-19   -18.256   -18.255     0.001     (0)  
    [14C]O3-2       3.810e-19   2.669e-19   -18.419   -18.574    -0.155     (0)  
    CaH[14C]O2[18O]+   2.703e-20   2.479e-20   -19.568   -19.606    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.703e-20   2.479e-20   -19.568   -19.606    -0.037     (0)  
    CaH[14C][18O]O2+   2.703e-20   2.479e-20   -19.568   -19.606    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.703e-20   2.479e-20   -19.568   -19.606    -0.037     (0)  
    Ca[14C]O2[18O]   4.445e-21   4.452e-21   -20.352   -20.351     0.001     (0)  
    H[14C]O[18O]2-   2.554e-21   2.336e-21   -20.593   -20.631    -0.039     (0)  
    H[14C][18O]2O-   2.554e-21   2.336e-21   -20.593   -20.631    -0.039     (0)  
@@ -41803,29 +41793,29 @@ O(0)          2.860e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.694e-16
-   O[18O]          5.683e-16   5.692e-16   -15.245   -15.245     0.001     (0)  
-   [18O]2          5.669e-19   5.678e-19   -18.246   -18.246     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      8.826e-17
+   O[18O]          8.808e-17   8.823e-17   -16.055   -16.054     0.001     (0)  
+   [18O]2          8.787e-20   8.802e-20   -19.056   -19.055     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.18   -127.04   -2.86  [13C]H4
+  [13C]H4(g)     -122.56   -125.42   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.77    -21.27   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.09   -137.95   -2.86  [14C]H4
+  [14C]H4(g)     -133.47   -136.33   -2.86  [14C]H4
   [14C]O2(g)      -14.41    -15.87   -1.47  [14C]O2
   [14C]O[18O](g)  -16.79    -18.57   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.77    -19.06   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -41839,14 +41829,14 @@ O(0)          2.860e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.22   -125.08   -2.86  CH4
+  CH4(g)         -120.60   -123.46   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.62    -39.77   -3.15  H2
+  H2(g)           -36.21    -39.36   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.95    -12.85   -2.89  O2
-  O[18O](g)       -12.65    -15.55   -2.89  O[18O]
+  O2(g)           -10.76    -13.66   -2.89  O2
+  O[18O](g)       -13.46    -16.36   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -41910,23 +41900,23 @@ Calcite                                     2.46e-02
 
      R(18O)              	 1.99520e-03	        -4.9887  permil    
      R(13C)              	 1.11380e-02	        -3.7752  permil    
-     R(14C)              	 1.33751e-13	         11.374  pmc       
+     R(14C)              	 1.33752e-13	         11.375  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9903  permil    
      R(18O) OH-          	 1.92123e-03	        -41.878  permil    
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9903  permil    
      R(13C) CO2(aq)      	 1.10583e-02	        -10.905  permil    
-     R(14C) CO2(aq)      	 1.31842e-13	         11.212  pmc       
+     R(14C) CO2(aq)      	 1.31843e-13	         11.212  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9903  permil    
      R(13C) HCO3-        	 1.11545e-02	        -2.2998  permil    
-     R(14C) HCO3-        	 1.34146e-13	         11.408  pmc       
+     R(14C) HCO3-        	 1.34147e-13	         11.408  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9903  permil    
      R(13C) CO3-2        	 1.11385e-02	        -3.7315  permil    
-     R(14C) CO3-2        	 1.33761e-13	         11.375  pmc       
+     R(14C) CO3-2        	 1.33762e-13	         11.375  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.656  permil    
      R(13C) Calcite      	 1.11766e-02	       -0.32366  permil    
-     R(14C) Calcite      	 1.34678e-13	         11.453  pmc       
+     R(14C) Calcite      	 1.34679e-13	         11.453  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -41936,12 +41926,12 @@ Calcite                                     2.46e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2834e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2669e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6622e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7435e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -41961,14 +41951,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.331      Adjusted to redox equilibrium
+                                       pe  =  11.183      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.822e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -41983,13 +41973,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.162  -125.162     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.978  -123.978     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -41998,9 +41988,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -42008,23 +41998,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.252e-40
-   H2              1.626e-40   1.629e-40   -39.789   -39.788     0.001     (0)  
-O(0)          3.137e-13
-   O2              1.562e-13   1.565e-13   -12.806   -12.805     0.001     (0)  
-   O[18O]          6.235e-16   6.245e-16   -15.205   -15.204     0.001     (0)  
+H(0)          6.429e-40
+   H2              3.215e-40   3.220e-40   -39.493   -39.492     0.001     (0)  
+O(0)          8.028e-14
+   O2              3.998e-14   4.004e-14   -13.398   -13.397     0.001     (0)  
+   O[18O]          1.595e-16   1.598e-16   -15.797   -15.796     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.119  -127.118     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.935  -125.934     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.082e-08   6.092e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.587e-08    -7.339    -7.339     0.001     (0)  
@@ -42033,56 +42023,56 @@ O(0)          3.137e-13
    CaH[13C]O[18O]O+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.210e-09   2.028e-09    -8.656    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -138.042  -138.042     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.858  -136.858     0.001     (0)  
 [14C](4)      7.811e-16
    H[14C]O3-       6.310e-16   5.772e-16   -15.200   -15.239    -0.039     (0)  
    [14C]O2         1.313e-16   1.315e-16   -15.882   -15.881     0.001     (0)  
    CaH[14C]O3+     1.332e-17   1.222e-17   -16.875   -16.913    -0.037     (0)  
-   H[14C]O2[18O]-   1.259e-18   1.152e-18   -17.900   -17.939    -0.039     (0)  
-   H[14C]O[18O]O-   1.259e-18   1.152e-18   -17.900   -17.939    -0.039     (0)  
    H[14C][18O]O2-   1.259e-18   1.152e-18   -17.900   -17.939    -0.039     (0)  
+   H[14C]O[18O]O-   1.259e-18   1.152e-18   -17.900   -17.939    -0.039     (0)  
+   H[14C]O2[18O]-   1.259e-18   1.152e-18   -17.900   -17.939    -0.039     (0)  
    Ca[14C]O3       7.304e-19   7.316e-19   -18.136   -18.136     0.001     (0)  
    [14C]O[18O]     5.459e-19   5.468e-19   -18.263   -18.262     0.001     (0)  
    [14C]O3-2       3.747e-19   2.625e-19   -18.426   -18.581    -0.155     (0)  
    CaH[14C]O2[18O]+   2.658e-20   2.439e-20   -19.575   -19.613    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.658e-20   2.439e-20   -19.575   -19.613    -0.037     (0)  
    CaH[14C][18O]O2+   2.658e-20   2.439e-20   -19.575   -19.613    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.658e-20   2.439e-20   -19.575   -19.613    -0.037     (0)  
    Ca[14C]O2[18O]   4.372e-21   4.379e-21   -20.359   -20.359     0.001     (0)  
-   H[14C]O[18O]2-   2.512e-21   2.298e-21   -20.600   -20.639    -0.039     (0)  
    H[14C][18O]2O-   2.512e-21   2.298e-21   -20.600   -20.639    -0.039     (0)  
    H[14C][18O]O[18O]-   2.512e-21   2.298e-21   -20.600   -20.639    -0.039     (0)  
+   H[14C]O[18O]2-   2.512e-21   2.298e-21   -20.600   -20.639    -0.039     (0)  
    [14C]O2[18O]-2   2.243e-21   1.571e-21   -20.649   -20.804    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.247e-16
-   O[18O]          6.235e-16   6.245e-16   -15.205   -15.204     0.001     (0)  
-   [18O]2          6.220e-19   6.230e-19   -18.206   -18.206     0.001     (0)  
+[18O](0)      1.598e-16
+   O[18O]          1.595e-16   1.598e-16   -15.797   -15.796     0.001     (0)  
+   [18O]2          1.591e-19   1.594e-19   -18.798   -18.797     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.26   -127.12   -2.86  [13C]H4
+  [13C]H4(g)     -123.07   -125.93   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.78    -21.28   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.18   -138.04   -2.86  [14C]H4
+  [14C]H4(g)     -134.00   -136.86   -2.86  [14C]H4
   [14C]O2(g)      -14.41    -15.88   -1.47  [14C]O2
   [14C]O[18O](g)  -16.79    -18.58   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.92    -18.21   -2.29  [18O]2
+  [18O]2(g)       -16.51    -18.80   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -42096,14 +42086,14 @@ O(0)          3.137e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.30   -125.16   -2.86  CH4
+  CH4(g)         -121.12   -123.98   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.64    -39.79   -3.15  H2
+  H2(g)           -36.34    -39.49   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.91    -12.81   -2.89  O2
-  O[18O](g)       -12.61    -15.51   -2.89  O[18O]
+  O2(g)           -10.51    -13.40   -2.89  O2
+  O[18O](g)       -13.21    -16.10   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -42167,23 +42157,23 @@ Calcite                                     2.51e-02
 
      R(18O)              	 1.99520e-03	        -4.9886  permil    
      R(13C)              	 1.11384e-02	        -3.7366  permil    
-     R(14C)              	 1.31587e-13	          11.19  pmc       
+     R(14C)              	 1.31588e-13	          11.19  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9901  permil    
      R(18O) OH-          	 1.92123e-03	        -41.877  permil    
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9901  permil    
      R(13C) CO2(aq)      	 1.10587e-02	        -10.866  permil    
-     R(14C) CO2(aq)      	 1.29709e-13	         11.031  pmc       
+     R(14C) CO2(aq)      	 1.29710e-13	         11.031  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9901  permil    
      R(13C) HCO3-        	 1.11549e-02	        -2.2611  permil    
-     R(14C) HCO3-        	 1.31975e-13	         11.223  pmc       
+     R(14C) HCO3-        	 1.31976e-13	         11.224  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9901  permil    
      R(13C) CO3-2        	 1.11389e-02	        -3.6929  permil    
-     R(14C) CO3-2        	 1.31597e-13	         11.191  pmc       
+     R(14C) CO3-2        	 1.31598e-13	         11.191  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.656  permil    
      R(13C) Calcite      	 1.11770e-02	       -0.28493  permil    
-     R(14C) Calcite      	 1.32499e-13	         11.268  pmc       
+     R(14C) Calcite      	 1.32500e-13	         11.268  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -42193,12 +42183,12 @@ Calcite                                     2.51e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2371e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2536e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
 Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6366e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6487e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -42218,14 +42208,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.330      Adjusted to redox equilibrium
+                                       pe  =  11.196      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -42240,24 +42230,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.154  -125.154     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.079  -124.079     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -42265,81 +42255,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.267e-40
-   H2              1.634e-40   1.636e-40   -39.787   -39.786     0.001     (0)  
-O(0)          3.108e-13
-   O2              1.548e-13   1.551e-13   -12.810   -12.810     0.001     (0)  
-   O[18O]          6.177e-16   6.187e-16   -15.209   -15.209     0.001     (0)  
+H(0)          6.067e-40
+   H2              3.033e-40   3.038e-40   -39.518   -39.517     0.001     (0)  
+O(0)          9.016e-14
+   O2              4.490e-14   4.498e-14   -13.348   -13.347     0.001     (0)  
+   O[18O]          1.792e-16   1.795e-16   -15.747   -15.746     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.111  -127.110     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.036  -126.035     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.120e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -138.041  -138.041     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.966  -136.966     0.001     (0)  
 [14C](4)      7.685e-16
    H[14C]O3-       6.208e-16   5.679e-16   -15.207   -15.246    -0.039     (0)  
    [14C]O2         1.292e-16   1.294e-16   -15.889   -15.888     0.001     (0)  
    CaH[14C]O3+     1.311e-17   1.202e-17   -16.882   -16.920    -0.037     (0)  
-   H[14C]O2[18O]-   1.239e-18   1.133e-18   -17.907   -17.946    -0.039     (0)  
-   H[14C]O[18O]O-   1.239e-18   1.133e-18   -17.907   -17.946    -0.039     (0)  
    H[14C][18O]O2-   1.239e-18   1.133e-18   -17.907   -17.946    -0.039     (0)  
+   H[14C]O[18O]O-   1.239e-18   1.133e-18   -17.907   -17.946    -0.039     (0)  
+   H[14C]O2[18O]-   1.239e-18   1.133e-18   -17.907   -17.946    -0.039     (0)  
    Ca[14C]O3       7.186e-19   7.198e-19   -18.144   -18.143     0.001     (0)  
    [14C]O[18O]     5.371e-19   5.380e-19   -18.270   -18.269     0.001     (0)  
    [14C]O3-2       3.686e-19   2.582e-19   -18.433   -18.588    -0.155     (0)  
    CaH[14C]O2[18O]+   2.615e-20   2.399e-20   -19.582   -19.620    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.615e-20   2.399e-20   -19.582   -19.620    -0.037     (0)  
    CaH[14C][18O]O2+   2.615e-20   2.399e-20   -19.582   -19.620    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.615e-20   2.399e-20   -19.582   -19.620    -0.037     (0)  
    Ca[14C]O2[18O]   4.301e-21   4.308e-21   -20.366   -20.366     0.001     (0)  
+   H[14C][18O]O[18O]-   2.471e-21   2.261e-21   -20.607   -20.646    -0.039     (0)  
    H[14C]O[18O]2-   2.471e-21   2.261e-21   -20.607   -20.646    -0.039     (0)  
    H[14C][18O]2O-   2.471e-21   2.261e-21   -20.607   -20.646    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.471e-21   2.261e-21   -20.607   -20.646    -0.039     (0)  
    [14C]O2[18O]-2   2.206e-21   1.546e-21   -20.656   -20.811    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.189e-16
-   O[18O]          6.177e-16   6.187e-16   -15.209   -15.209     0.001     (0)  
-   [18O]2          6.162e-19   6.172e-19   -18.210   -18.210     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.795e-16
+   O[18O]          1.792e-16   1.795e-16   -15.747   -15.746     0.001     (0)  
+   [18O]2          1.787e-19   1.790e-19   -18.748   -18.747     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.25   -127.11   -2.86  [13C]H4
+  [13C]H4(g)     -123.17   -126.03   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.78    -21.29   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.18   -138.04   -2.86  [14C]H4
+  [14C]H4(g)     -134.11   -136.97   -2.86  [14C]H4
   [14C]O2(g)      -14.42    -15.89   -1.47  [14C]O2
   [14C]O[18O](g)  -16.80    -18.59   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.92    -18.21   -2.29  [18O]2
+  [18O]2(g)       -16.46    -18.75   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -42353,14 +42343,14 @@ O(0)          3.108e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.29   -125.15   -2.86  CH4
+  CH4(g)         -121.22   -124.08   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.64    -39.79   -3.15  H2
+  H2(g)           -36.37    -39.52   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.92    -12.81   -2.89  O2
-  O[18O](g)       -12.62    -15.51   -2.89  O[18O]
+  O2(g)           -10.45    -13.35   -2.89  O2
+  O[18O](g)       -13.15    -16.05   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -42424,7 +42414,7 @@ Calcite                                     2.56e-02
 
      R(18O)              	 1.99520e-03	        -4.9885  permil    
      R(13C)              	 1.11388e-02	        -3.6992  permil    
-     R(14C)              	 1.29492e-13	         11.012  pmc       
+     R(14C)              	 1.29493e-13	         11.012  pmc       
      R(18O) H2O(l)       	 1.99519e-03	          -4.99  permil    
      R(18O) OH-          	 1.92123e-03	        -41.877  permil    
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
@@ -42434,13 +42424,13 @@ Calcite                                     2.56e-02
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	          -4.99  permil    
      R(13C) HCO3-        	 1.11553e-02	        -2.2237  permil    
-     R(14C) HCO3-        	 1.29874e-13	         11.045  pmc       
+     R(14C) HCO3-        	 1.29875e-13	         11.045  pmc       
      R(18O) CO3-2        	 1.99519e-03	          -4.99  permil    
      R(13C) CO3-2        	 1.11393e-02	        -3.6556  permil    
-     R(14C) CO3-2        	 1.29502e-13	         11.013  pmc       
+     R(14C) CO3-2        	 1.29503e-13	         11.013  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.656  permil    
      R(13C) Calcite      	 1.11774e-02	       -0.24743  permil    
-     R(14C) Calcite      	 1.30389e-13	         11.089  pmc       
+     R(14C) Calcite      	 1.30390e-13	         11.089  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -42450,12 +42440,12 @@ Calcite                                     2.56e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2421e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2582e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.3299e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7139e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7258e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -42475,14 +42465,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.338      Adjusted to redox equilibrium
+                                       pe  =  11.199      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -42497,14 +42487,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.218  -125.218     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -124.103  -124.102     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -42512,9 +42502,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -42522,50 +42512,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.149e-40
-   H2              1.575e-40   1.577e-40   -39.803   -39.802     0.001     (0)  
-O(0)          3.346e-13
-   O2              1.666e-13   1.669e-13   -12.778   -12.778     0.001     (0)  
-   O[18O]          6.649e-16   6.660e-16   -15.177   -15.177     0.001     (0)  
+H(0)          5.985e-40
+   H2              2.992e-40   2.997e-40   -39.524   -39.523     0.001     (0)  
+O(0)          9.265e-14
+   O2              4.614e-14   4.622e-14   -13.336   -13.335     0.001     (0)  
+   O[18O]          1.841e-16   1.844e-16   -15.735   -15.734     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.174  -127.174     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -126.059  -126.058     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.577e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.579e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.120e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -138.112  -138.112     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.997  -136.996     0.001     (0)  
 [14C](4)      7.562e-16
    H[14C]O3-       6.109e-16   5.589e-16   -15.214   -15.253    -0.039     (0)  
    [14C]O2         1.271e-16   1.273e-16   -15.896   -15.895     0.001     (0)  
    CaH[14C]O3+     1.290e-17   1.183e-17   -16.889   -16.927    -0.037     (0)  
-   H[14C]O2[18O]-   1.219e-18   1.115e-18   -17.914   -17.953    -0.039     (0)  
-   H[14C]O[18O]O-   1.219e-18   1.115e-18   -17.914   -17.953    -0.039     (0)  
    H[14C][18O]O2-   1.219e-18   1.115e-18   -17.914   -17.953    -0.039     (0)  
+   H[14C]O[18O]O-   1.219e-18   1.115e-18   -17.914   -17.953    -0.039     (0)  
+   H[14C]O2[18O]-   1.219e-18   1.115e-18   -17.914   -17.953    -0.039     (0)  
    Ca[14C]O3       7.072e-19   7.083e-19   -18.150   -18.150     0.001     (0)  
    [14C]O[18O]     5.286e-19   5.294e-19   -18.277   -18.276     0.001     (0)  
    [14C]O3-2       3.628e-19   2.541e-19   -18.440   -18.595    -0.155     (0)  
    CaH[14C]O2[18O]+   2.574e-20   2.361e-20   -19.589   -19.627    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.574e-20   2.361e-20   -19.589   -19.627    -0.037     (0)  
    CaH[14C][18O]O2+   2.574e-20   2.361e-20   -19.589   -19.627    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.574e-20   2.361e-20   -19.589   -19.627    -0.037     (0)  
    Ca[14C]O2[18O]   4.233e-21   4.240e-21   -20.373   -20.373     0.001     (0)  
    H[14C]O[18O]2-   2.432e-21   2.225e-21   -20.614   -20.653    -0.039     (0)  
    H[14C][18O]2O-   2.432e-21   2.225e-21   -20.614   -20.653    -0.039     (0)  
@@ -42574,29 +42564,29 @@ O(0)          3.346e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.662e-16
-   O[18O]          6.649e-16   6.660e-16   -15.177   -15.177     0.001     (0)  
-   [18O]2          6.633e-19   6.644e-19   -18.178   -18.178     0.001     (0)  
+[18O](0)      1.845e-16
+   O[18O]          1.841e-16   1.844e-16   -15.735   -15.734     0.001     (0)  
+   [18O]2          1.837e-19   1.840e-19   -18.736   -18.735     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.31   -127.17   -2.86  [13C]H4
+  [13C]H4(g)     -123.20   -126.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.79    -21.30   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.25   -138.11   -2.86  [14C]H4
+  [14C]H4(g)     -134.14   -137.00   -2.86  [14C]H4
   [14C]O2(g)      -14.43    -15.90   -1.47  [14C]O2
   [14C]O[18O](g)  -16.81    -18.60   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.89    -18.18   -2.29  [18O]2
+  [18O]2(g)       -16.44    -18.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -42610,14 +42600,14 @@ O(0)          3.346e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.36   -125.22   -2.86  CH4
+  CH4(g)         -121.24   -124.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.65    -39.80   -3.15  H2
+  H2(g)           -36.37    -39.52   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.89    -12.78   -2.89  O2
-  O[18O](g)       -12.59    -15.48   -2.89  O[18O]
+  O2(g)           -10.44    -13.34   -2.89  O2
+  O[18O](g)       -13.14    -16.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -42681,23 +42671,23 @@ Calcite                                     2.61e-02
 
      R(18O)              	 1.99520e-03	        -4.9883  permil    
      R(13C)              	 1.11392e-02	         -3.663  permil    
-     R(14C)              	 1.27462e-13	          10.84  pmc       
+     R(14C)              	 1.27463e-13	          10.84  pmc       
      R(18O) H2O(l)       	 1.99519e-03	        -4.9898  permil    
      R(18O) OH-          	 1.92123e-03	        -41.877  permil    
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9898  permil    
      R(13C) CO2(aq)      	 1.10595e-02	        -10.793  permil    
-     R(14C) CO2(aq)      	 1.25643e-13	         10.685  pmc       
+     R(14C) CO2(aq)      	 1.25644e-13	         10.685  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9898  permil    
      R(13C) HCO3-        	 1.11557e-02	        -2.1874  permil    
-     R(14C) HCO3-        	 1.27839e-13	         10.872  pmc       
+     R(14C) HCO3-        	 1.27840e-13	         10.872  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9898  permil    
      R(13C) CO3-2        	 1.11397e-02	        -3.6194  permil    
-     R(14C) CO3-2        	 1.27472e-13	         10.841  pmc       
+     R(14C) CO3-2        	 1.27473e-13	         10.841  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
      R(13C) Calcite      	 1.11778e-02	        -0.2111  permil    
-     R(14C) Calcite      	 1.28346e-13	         10.915  pmc       
+     R(14C) Calcite      	 1.28347e-13	         10.915  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -42707,12 +42697,12 @@ Calcite                                     2.61e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2623e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2475e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7748e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7224e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -42732,14 +42722,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.339      Adjusted to redox equilibrium
+                                       pe  =  11.183      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -42754,24 +42744,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.222  -125.222     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.976  -123.976     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -42779,23 +42769,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.142e-40
-   H2              1.571e-40   1.574e-40   -39.804   -39.803     0.001     (0)  
-O(0)          3.361e-13
-   O2              1.674e-13   1.677e-13   -12.776   -12.776     0.001     (0)  
-   O[18O]          6.680e-16   6.691e-16   -15.175   -15.175     0.001     (0)  
+H(0)          6.437e-40
+   H2              3.219e-40   3.224e-40   -39.492   -39.492     0.001     (0)  
+O(0)          8.008e-14
+   O2              3.988e-14   3.995e-14   -13.399   -13.399     0.001     (0)  
+   O[18O]          1.591e-16   1.594e-16   -15.798   -15.798     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.179  -127.178     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.932  -125.932     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.800e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
@@ -42804,56 +42794,56 @@ O(0)          3.361e-13
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.308e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -138.123  -138.122     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -136.877  -136.876     0.001     (0)  
 [14C](4)      7.444e-16
    H[14C]O3-       6.013e-16   5.501e-16   -15.221   -15.260    -0.039     (0)  
    [14C]O2         1.251e-16   1.253e-16   -15.903   -15.902     0.001     (0)  
    CaH[14C]O3+     1.270e-17   1.165e-17   -16.896   -16.934    -0.037     (0)  
-   H[14C]O2[18O]-   1.200e-18   1.098e-18   -17.921   -17.960    -0.039     (0)  
-   H[14C]O[18O]O-   1.200e-18   1.098e-18   -17.921   -17.960    -0.039     (0)  
    H[14C][18O]O2-   1.200e-18   1.098e-18   -17.921   -17.960    -0.039     (0)  
+   H[14C]O[18O]O-   1.200e-18   1.098e-18   -17.921   -17.960    -0.039     (0)  
+   H[14C]O2[18O]-   1.200e-18   1.098e-18   -17.921   -17.960    -0.039     (0)  
    Ca[14C]O3       6.961e-19   6.972e-19   -18.157   -18.157     0.001     (0)  
    [14C]O[18O]     5.203e-19   5.211e-19   -18.284   -18.283     0.001     (0)  
    [14C]O3-2       3.571e-19   2.501e-19   -18.447   -18.602    -0.155     (0)  
    CaH[14C]O2[18O]+   2.533e-20   2.324e-20   -19.596   -19.634    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.533e-20   2.324e-20   -19.596   -19.634    -0.037     (0)  
    CaH[14C][18O]O2+   2.533e-20   2.324e-20   -19.596   -19.634    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.533e-20   2.324e-20   -19.596   -19.634    -0.037     (0)  
    Ca[14C]O2[18O]   4.166e-21   4.173e-21   -20.380   -20.380     0.001     (0)  
-   H[14C]O[18O]2-   2.394e-21   2.190e-21   -20.621   -20.660    -0.039     (0)  
    H[14C][18O]2O-   2.394e-21   2.190e-21   -20.621   -20.660    -0.039     (0)  
    H[14C][18O]O[18O]-   2.394e-21   2.190e-21   -20.621   -20.660    -0.039     (0)  
+   H[14C]O[18O]2-   2.394e-21   2.190e-21   -20.621   -20.660    -0.039     (0)  
    [14C]O2[18O]-2   2.137e-21   1.497e-21   -20.670   -20.825    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      6.693e-16
-   O[18O]          6.680e-16   6.691e-16   -15.175   -15.175     0.001     (0)  
-   [18O]2          6.664e-19   6.675e-19   -18.176   -18.176     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.595e-16
+   O[18O]          1.591e-16   1.594e-16   -15.798   -15.798     0.001     (0)  
+   [18O]2          1.588e-19   1.590e-19   -18.799   -18.799     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.32   -127.18   -2.86  [13C]H4
+  [13C]H4(g)     -123.07   -125.93   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.80    -21.30   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.26   -138.12   -2.86  [14C]H4
+  [14C]H4(g)     -134.02   -136.88   -2.86  [14C]H4
   [14C]O2(g)      -14.43    -15.90   -1.47  [14C]O2
   [14C]O[18O](g)  -16.81    -18.60   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.89    -18.18   -2.29  [18O]2
+  [18O]2(g)       -16.51    -18.80   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -42867,14 +42857,14 @@ O(0)          3.361e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.36   -125.22   -2.86  CH4
+  CH4(g)         -121.12   -123.98   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.65    -39.80   -3.15  H2
+  H2(g)           -36.34    -39.49   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.88    -12.78   -2.89  O2
-  O[18O](g)       -12.58    -15.48   -2.89  O[18O]
+  O2(g)           -10.51    -13.40   -2.89  O2
+  O[18O](g)       -13.21    -16.10   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -42930,7 +42920,7 @@ Calcite                                     2.66e-02
                            Ca[14C]O3(s)     3.30e-15     1.14e-17     1.24e-13
                       Ca[14C]O2[18O](s)     2.03e-17     7.01e-20     7.65e-16
                       Ca[14C]O[18O]2(s)     4.17e-20     1.44e-22     1.57e-18
-                       Ca[14C][18O]3(s)     2.85e-23     9.84e-26     1.07e-21
+                       Ca[14C][18O]3(s)     2.85e-23     9.85e-26     1.07e-21
 
 --------------------------------Isotope Ratios---------------------------------
 
@@ -42944,17 +42934,17 @@ Calcite                                     2.66e-02
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99519e-03	        -4.9897  permil    
      R(13C) CO2(aq)      	 1.10599e-02	        -10.759  permil    
-     R(14C) CO2(aq)      	 1.23704e-13	          10.52  pmc       
+     R(14C) CO2(aq)      	 1.23705e-13	          10.52  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.884  permil    
      R(18O) HCO3-        	 1.99519e-03	        -4.9897  permil    
      R(13C) HCO3-        	 1.11561e-02	        -2.1523  permil    
-     R(14C) HCO3-        	 1.25866e-13	         10.704  pmc       
+     R(14C) HCO3-        	 1.25867e-13	         10.704  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9897  permil    
      R(13C) CO3-2        	 1.11401e-02	        -3.5843  permil    
-     R(14C) CO3-2        	 1.25505e-13	         10.673  pmc       
+     R(14C) CO3-2        	 1.25506e-13	         10.673  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
      R(13C) Calcite      	 1.11782e-02	        -0.1759  permil    
-     R(14C) Calcite      	 1.26365e-13	         10.746  pmc       
+     R(14C) Calcite      	 1.26366e-13	         10.746  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -42964,12 +42954,12 @@ Calcite                                     2.66e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.268e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2539e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7072e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7211e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -42989,14 +42979,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.319      Adjusted to redox equilibrium
+                                       pe  =  11.067      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -43011,14 +43001,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -125.067  -125.066     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -123.049  -123.048     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -43026,9 +43016,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -43036,81 +43026,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.437e-40
-   H2              1.718e-40   1.721e-40   -39.765   -39.764     0.001     (0)  
-O(0)          2.810e-13
-   O2              1.399e-13   1.402e-13   -12.854   -12.853     0.001     (0)  
-   O[18O]          5.584e-16   5.593e-16   -15.253   -15.252     0.001     (0)  
+H(0)          1.098e-39
+   H2              5.489e-40   5.498e-40   -39.261   -39.260     0.001     (0)  
+O(0)          2.754e-14
+   O2              1.371e-14   1.374e-14   -13.863   -13.862     0.001     (0)  
+   O[18O]          5.472e-17   5.481e-17   -16.262   -16.261     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -127.023  -127.022     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -125.005  -125.005     0.001     (0)  
 [13C](4)      6.505e-05
    H[13C]O3-       5.247e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.974  -137.973     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -135.957  -135.956     0.001     (0)  
 [14C](4)      7.329e-16
    H[14C]O3-       5.920e-16   5.416e-16   -15.228   -15.266    -0.039     (0)  
    [14C]O2         1.232e-16   1.234e-16   -15.909   -15.909     0.001     (0)  
    CaH[14C]O3+     1.250e-17   1.147e-17   -16.903   -16.941    -0.037     (0)  
-   H[14C]O2[18O]-   1.181e-18   1.081e-18   -17.928   -17.966    -0.039     (0)  
-   H[14C]O[18O]O-   1.181e-18   1.081e-18   -17.928   -17.966    -0.039     (0)  
    H[14C][18O]O2-   1.181e-18   1.081e-18   -17.928   -17.966    -0.039     (0)  
+   H[14C]O[18O]O-   1.181e-18   1.081e-18   -17.928   -17.966    -0.039     (0)  
+   H[14C]O2[18O]-   1.181e-18   1.081e-18   -17.928   -17.966    -0.039     (0)  
    Ca[14C]O3       6.853e-19   6.865e-19   -18.164   -18.163     0.001     (0)  
-   [14C]O[18O]     5.122e-19   5.131e-19   -18.291   -18.290     0.001     (0)  
+   [14C]O[18O]     5.123e-19   5.131e-19   -18.291   -18.290     0.001     (0)  
    [14C]O3-2       3.516e-19   2.463e-19   -18.454   -18.609    -0.155     (0)  
    CaH[14C]O2[18O]+   2.494e-20   2.288e-20   -19.603   -19.641    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.494e-20   2.288e-20   -19.603   -19.641    -0.037     (0)  
    CaH[14C][18O]O2+   2.494e-20   2.288e-20   -19.603   -19.641    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.494e-20   2.288e-20   -19.603   -19.641    -0.037     (0)  
    Ca[14C]O2[18O]   4.102e-21   4.109e-21   -20.387   -20.386     0.001     (0)  
+   H[14C][18O]O[18O]-   2.357e-21   2.156e-21   -20.628   -20.666    -0.039     (0)  
    H[14C]O[18O]2-   2.357e-21   2.156e-21   -20.628   -20.666    -0.039     (0)  
    H[14C][18O]2O-   2.357e-21   2.156e-21   -20.628   -20.666    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.357e-21   2.156e-21   -20.628   -20.666    -0.039     (0)  
    [14C]O2[18O]-2   2.104e-21   1.474e-21   -20.677   -20.831    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      5.595e-16
-   O[18O]          5.584e-16   5.593e-16   -15.253   -15.252     0.001     (0)  
-   [18O]2          5.570e-19   5.579e-19   -18.254   -18.253     0.001     (0)  
+[18O](0)      5.483e-17
+   O[18O]          5.472e-17   5.481e-17   -16.262   -16.261     0.001     (0)  
+   [18O]2          5.459e-20   5.468e-20   -19.263   -19.262     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.16   -127.02   -2.86  [13C]H4
+  [13C]H4(g)     -122.14   -125.00   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.81    -21.31   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.11   -137.97   -2.86  [14C]H4
+  [14C]H4(g)     -133.10   -135.96   -2.86  [14C]H4
   [14C]O2(g)      -14.44    -15.91   -1.47  [14C]O2
   [14C]O[18O](g)  -16.82    -18.61   -1.79  [14C]O[18O]
-  [18O]2(g)       -15.96    -18.25   -2.29  [18O]2
+  [18O]2(g)       -16.97    -19.26   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -43124,14 +43114,14 @@ O(0)          2.810e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.21   -125.07   -2.86  CH4
+  CH4(g)         -120.19   -123.05   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.61    -39.76   -3.15  H2
+  H2(g)           -36.11    -39.26   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)            -9.96    -12.85   -2.89  O2
-  O[18O](g)       -12.66    -15.55   -2.89  O[18O]
+  O2(g)           -10.97    -13.86   -2.89  O2
+  O[18O](g)       -13.67    -16.56   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -43208,10 +43198,10 @@ Calcite                                     2.71e-02
      R(14C) HCO3-        	 1.23954e-13	         10.541  pmc       
      R(18O) CO3-2        	 1.99519e-03	        -4.9896  permil    
      R(13C) CO3-2        	 1.11405e-02	        -3.5503  permil    
-     R(14C) CO3-2        	 1.23598e-13	         10.511  pmc       
+     R(14C) CO3-2        	 1.23599e-13	         10.511  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
      R(13C) Calcite      	 1.11786e-02	       -0.14176  permil    
-     R(14C) Calcite      	 1.24445e-13	         10.583  pmc       
+     R(14C) Calcite      	 1.24446e-13	         10.583  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -43221,12 +43211,12 @@ Calcite                                     2.71e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2264e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1    -2.246e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6704e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5489e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -43240,20 +43230,20 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 	C                 5.840e-03   5.823e-03
 	Ca                2.451e-03   2.444e-03
 	[13C]             6.506e-05   6.487e-05
-	[14C]             7.217e-16   7.196e-16
+	[14C]             7.218e-16   7.196e-16
 	[18O]             1.109e-01   1.106e-01
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.303      Adjusted to redox equilibrium
+                                       pe  =  10.853      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -43268,24 +43258,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.937  -124.936     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -121.334  -121.333     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -43293,50 +43283,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.703e-40
-   H2              1.852e-40   1.855e-40   -39.732   -39.732     0.001     (0)  
-O(0)          2.419e-13
-   O2              1.205e-13   1.207e-13   -12.919   -12.918     0.001     (0)  
-   O[18O]          4.808e-16   4.816e-16   -15.318   -15.317     0.001     (0)  
+H(0)          2.946e-39
+   H2              1.473e-39   1.475e-39   -38.832   -38.831     0.001     (0)  
+O(0)          3.823e-15
+   O2              1.904e-15   1.907e-15   -14.720   -14.720     0.001     (0)  
+   O[18O]          7.598e-18   7.611e-18   -17.119   -17.119     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.893  -126.892     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -123.290  -123.290     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.247e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.016e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.578e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.083e-08   6.093e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.587e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.851  -137.850     0.001     (0)  
-[14C](4)      7.217e-16
+   [14C]H4         0.000e+00   0.000e+00  -134.248  -134.248     0.001     (0)  
+[14C](4)      7.218e-16
    H[14C]O3-       5.830e-16   5.334e-16   -15.234   -15.273    -0.039     (0)  
    [14C]O2         1.213e-16   1.215e-16   -15.916   -15.915     0.001     (0)  
    CaH[14C]O3+     1.231e-17   1.129e-17   -16.910   -16.947    -0.037     (0)  
-   H[14C]O2[18O]-   1.163e-18   1.064e-18   -17.934   -17.973    -0.039     (0)  
-   H[14C]O[18O]O-   1.163e-18   1.064e-18   -17.934   -17.973    -0.039     (0)  
    H[14C][18O]O2-   1.163e-18   1.064e-18   -17.934   -17.973    -0.039     (0)  
+   H[14C]O[18O]O-   1.163e-18   1.064e-18   -17.934   -17.973    -0.039     (0)  
+   H[14C]O2[18O]-   1.163e-18   1.064e-18   -17.934   -17.973    -0.039     (0)  
    Ca[14C]O3       6.749e-19   6.760e-19   -18.171   -18.170     0.001     (0)  
    [14C]O[18O]     5.045e-19   5.053e-19   -18.297   -18.296     0.001     (0)  
    [14C]O3-2       3.462e-19   2.425e-19   -18.461   -18.615    -0.155     (0)  
    CaH[14C]O2[18O]+   2.456e-20   2.253e-20   -19.610   -19.647    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.456e-20   2.253e-20   -19.610   -19.647    -0.037     (0)  
    CaH[14C][18O]O2+   2.456e-20   2.253e-20   -19.610   -19.647    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.456e-20   2.253e-20   -19.610   -19.647    -0.037     (0)  
    Ca[14C]O2[18O]   4.040e-21   4.046e-21   -20.394   -20.393     0.001     (0)  
    H[14C]O[18O]2-   2.321e-21   2.123e-21   -20.634   -20.673    -0.039     (0)  
    H[14C][18O]2O-   2.321e-21   2.123e-21   -20.634   -20.673    -0.039     (0)  
@@ -43345,29 +43335,29 @@ O(0)          2.419e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.817e-16
-   O[18O]          4.808e-16   4.816e-16   -15.318   -15.317     0.001     (0)  
-   [18O]2          4.796e-19   4.804e-19   -18.319   -18.318     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      7.613e-18
+   O[18O]          7.598e-18   7.611e-18   -17.119   -17.119     0.001     (0)  
+   [18O]2          7.580e-21   7.592e-21   -20.120   -20.120     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.03   -126.89   -2.86  [13C]H4
+  [13C]H4(g)     -120.43   -123.29   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.81    -21.32   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.99   -137.85   -2.86  [14C]H4
+  [14C]H4(g)     -131.39   -134.25   -2.86  [14C]H4
   [14C]O2(g)      -14.45    -15.92   -1.47  [14C]O2
   [14C]O[18O](g)  -16.83    -18.62   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.03    -18.32   -2.29  [18O]2
+  [18O]2(g)       -17.83    -20.12   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -43381,14 +43371,14 @@ O(0)          2.419e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.08   -124.94   -2.86  CH4
+  CH4(g)         -118.47   -121.33   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.58    -39.73   -3.15  H2
+  H2(g)           -35.68    -38.83   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.03    -12.92   -2.89  O2
-  O[18O](g)       -12.73    -15.62   -2.89  O[18O]
+  O2(g)           -11.83    -14.72   -2.89  O2
+  O[18O](g)       -14.53    -17.42   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -43458,17 +43448,17 @@ Calcite                                     2.76e-02
      R(18O) H3O+         	 2.04133e-03	         18.018  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9894  permil    
      R(13C) CO2(aq)      	 1.10607e-02	        -10.692  permil    
-     R(14C) CO2(aq)      	 1.20001e-13	         10.205  pmc       
+     R(14C) CO2(aq)      	 1.20002e-13	         10.205  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9894  permil    
      R(13C) HCO3-        	 1.11569e-02	        -2.0852  permil    
-     R(14C) HCO3-        	 1.22098e-13	         10.383  pmc       
+     R(14C) HCO3-        	 1.22099e-13	         10.384  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9894  permil    
      R(13C) CO3-2        	 1.11409e-02	        -3.5173  permil    
-     R(14C) CO3-2        	 1.21748e-13	         10.354  pmc       
+     R(14C) CO3-2        	 1.21749e-13	         10.354  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
      R(13C) Calcite      	 1.11790e-02	       -0.10865  permil    
-     R(14C) Calcite      	 1.22582e-13	         10.425  pmc       
+     R(14C) Calcite      	 1.22583e-13	         10.425  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -43478,12 +43468,12 @@ Calcite                                     2.76e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2375e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2558e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.5543e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5581e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6396e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -43503,14 +43493,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.297      Adjusted to redox equilibrium
+                                       pe  =  11.471      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.126e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -43525,13 +43515,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.886  -124.886     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.284  -126.283     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -43540,9 +43530,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -43550,23 +43540,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.812e-40
-   H2              1.906e-40   1.909e-40   -39.720   -39.719     0.001     (0)  
-O(0)          2.283e-13
-   O2              1.137e-13   1.139e-13   -12.944   -12.944     0.001     (0)  
-   O[18O]          4.537e-16   4.545e-16   -15.343   -15.342     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.069   -40.068     0.001     (0)  
+O(0)          1.141e-12
+   O2              5.681e-13   5.691e-13   -12.246   -12.245     0.001     (0)  
+   O[18O]          2.267e-15   2.271e-15   -14.645   -14.644     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.842  -126.842     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.240  -128.239     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.248e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
@@ -43575,56 +43565,56 @@ O(0)          2.283e-13
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.807  -137.806     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.204  -139.204     0.001     (0)  
 [14C](4)      7.109e-16
    H[14C]O3-       5.743e-16   5.254e-16   -15.241   -15.280    -0.039     (0)  
    [14C]O2         1.195e-16   1.197e-16   -15.923   -15.922     0.001     (0)  
    CaH[14C]O3+     1.213e-17   1.112e-17   -16.916   -16.954    -0.037     (0)  
-   H[14C]O2[18O]-   1.146e-18   1.048e-18   -17.941   -17.980    -0.039     (0)  
-   H[14C]O[18O]O-   1.146e-18   1.048e-18   -17.941   -17.980    -0.039     (0)  
    H[14C][18O]O2-   1.146e-18   1.048e-18   -17.941   -17.980    -0.039     (0)  
+   H[14C]O[18O]O-   1.146e-18   1.048e-18   -17.941   -17.980    -0.039     (0)  
+   H[14C]O2[18O]-   1.146e-18   1.048e-18   -17.941   -17.980    -0.039     (0)  
    Ca[14C]O3       6.648e-19   6.659e-19   -18.177   -18.177     0.001     (0)  
    [14C]O[18O]     4.969e-19   4.977e-19   -18.304   -18.303     0.001     (0)  
    [14C]O3-2       3.410e-19   2.389e-19   -18.467   -18.622    -0.155     (0)  
    CaH[14C]O2[18O]+   2.420e-20   2.220e-20   -19.616   -19.654    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.420e-20   2.220e-20   -19.616   -19.654    -0.037     (0)  
    CaH[14C][18O]O2+   2.420e-20   2.220e-20   -19.616   -19.654    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.420e-20   2.220e-20   -19.616   -19.654    -0.037     (0)  
    Ca[14C]O2[18O]   3.979e-21   3.986e-21   -20.400   -20.399     0.001     (0)  
-   H[14C]O[18O]2-   2.286e-21   2.092e-21   -20.641   -20.680    -0.039     (0)  
    H[14C][18O]2O-   2.286e-21   2.092e-21   -20.641   -20.680    -0.039     (0)  
    H[14C][18O]O[18O]-   2.286e-21   2.092e-21   -20.641   -20.680    -0.039     (0)  
+   H[14C]O[18O]2-   2.286e-21   2.092e-21   -20.641   -20.680    -0.039     (0)  
    [14C]O2[18O]-2   2.041e-21   1.430e-21   -20.690   -20.845    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.546e-16
-   O[18O]          4.537e-16   4.545e-16   -15.343   -15.342     0.001     (0)  
-   [18O]2          4.526e-19   4.534e-19   -18.344   -18.344     0.001     (0)  
+[18O](0)      2.272e-15
+   O[18O]          2.267e-15   2.271e-15   -14.645   -14.644     0.001     (0)  
+   [18O]2          2.262e-18   2.265e-18   -17.646   -17.645     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.98   -126.84   -2.86  [13C]H4
+  [13C]H4(g)     -125.38   -128.24   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.82    -21.32   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.95   -137.81   -2.86  [14C]H4
+  [14C]H4(g)     -136.34   -139.20   -2.86  [14C]H4
   [14C]O2(g)      -14.45    -15.92   -1.47  [14C]O2
   [14C]O[18O](g)  -16.83    -18.62   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.05    -18.34   -2.29  [18O]2
+  [18O]2(g)       -15.35    -17.64   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -43638,14 +43628,14 @@ O(0)          2.283e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.03   -124.89   -2.86  CH4
+  CH4(g)         -123.42   -126.28   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.57    -39.72   -3.15  H2
+  H2(g)           -36.92    -40.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.05    -12.94   -2.89  O2
-  O[18O](g)       -12.75    -15.64   -2.89  O[18O]
+  O2(g)            -9.35    -12.24   -2.89  O2
+  O[18O](g)       -12.05    -14.94   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -43709,13 +43699,13 @@ Calcite                                     2.81e-02
 
      R(18O)              	 1.99520e-03	        -4.9878  permil    
      R(13C)              	 1.11407e-02	        -3.5289  permil    
-     R(14C)              	 1.19943e-13	           10.2  pmc       
+     R(14C)              	 1.19944e-13	           10.2  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9893  permil    
      R(18O) OH-          	 1.92123e-03	        -41.877  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9893  permil    
      R(13C) CO2(aq)      	 1.10610e-02	         -10.66  permil    
-     R(14C) CO2(aq)      	 1.18231e-13	         10.055  pmc       
+     R(14C) CO2(aq)      	 1.18232e-13	         10.055  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9893  permil    
      R(13C) HCO3-        	 1.11572e-02	        -2.0531  permil    
@@ -43735,12 +43725,12 @@ Calcite                                     2.81e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2675e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2532e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6709e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.685e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -43760,14 +43750,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.306      Adjusted to redox equilibrium
+                                       pe  =  11.472      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -43782,24 +43772,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.963  -124.962     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.291  -126.290     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -43807,81 +43797,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.648e-40
-   H2              1.824e-40   1.827e-40   -39.739   -39.738     0.001     (0)  
-O(0)          2.494e-13
-   O2              1.242e-13   1.244e-13   -12.906   -12.905     0.001     (0)  
-   O[18O]          4.956e-16   4.964e-16   -15.305   -15.304     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.071   -40.070     0.001     (0)  
+O(0)          1.150e-12
+   O2              5.728e-13   5.738e-13   -12.242   -12.241     0.001     (0)  
+   O[18O]          2.286e-15   2.290e-15   -14.641   -14.640     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.919  -126.918     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.247  -128.246     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.248e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.641e-10   3.647e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.890  -137.890     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.218  -139.217     0.001     (0)  
 [14C](4)      7.005e-16
    H[14C]O3-       5.658e-16   5.177e-16   -15.247   -15.286    -0.039     (0)  
    [14C]O2         1.177e-16   1.179e-16   -15.929   -15.928     0.001     (0)  
    CaH[14C]O3+     1.195e-17   1.096e-17   -16.923   -16.960    -0.037     (0)  
-   H[14C]O2[18O]-   1.129e-18   1.033e-18   -17.947   -17.986    -0.039     (0)  
-   H[14C]O[18O]O-   1.129e-18   1.033e-18   -17.947   -17.986    -0.039     (0)  
    H[14C][18O]O2-   1.129e-18   1.033e-18   -17.947   -17.986    -0.039     (0)  
+   H[14C]O[18O]O-   1.129e-18   1.033e-18   -17.947   -17.986    -0.039     (0)  
+   H[14C]O2[18O]-   1.129e-18   1.033e-18   -17.947   -17.986    -0.039     (0)  
    Ca[14C]O3       6.550e-19   6.561e-19   -18.184   -18.183     0.001     (0)  
    [14C]O[18O]     4.896e-19   4.904e-19   -18.310   -18.309     0.001     (0)  
    [14C]O3-2       3.360e-19   2.354e-19   -18.474   -18.628    -0.155     (0)  
    CaH[14C]O2[18O]+   2.384e-20   2.187e-20   -19.623   -19.660    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.384e-20   2.187e-20   -19.623   -19.660    -0.037     (0)  
    CaH[14C][18O]O2+   2.384e-20   2.187e-20   -19.623   -19.660    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.384e-20   2.187e-20   -19.623   -19.660    -0.037     (0)  
    Ca[14C]O2[18O]   3.921e-21   3.927e-21   -20.407   -20.406     0.001     (0)  
+   H[14C][18O]O[18O]-   2.252e-21   2.061e-21   -20.647   -20.686    -0.039     (0)  
    H[14C]O[18O]2-   2.252e-21   2.061e-21   -20.647   -20.686    -0.039     (0)  
    H[14C][18O]2O-   2.252e-21   2.061e-21   -20.647   -20.686    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.252e-21   2.061e-21   -20.647   -20.686    -0.039     (0)  
    [14C]O2[18O]-2   2.011e-21   1.409e-21   -20.697   -20.851    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.966e-16
-   O[18O]          4.956e-16   4.964e-16   -15.305   -15.304     0.001     (0)  
-   [18O]2          4.944e-19   4.952e-19   -18.306   -18.305     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.290e-15
+   O[18O]          2.286e-15   2.290e-15   -14.641   -14.640     0.001     (0)  
+   [18O]2          2.280e-18   2.284e-18   -17.642   -17.641     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -124.06   -126.92   -2.86  [13C]H4
+  [13C]H4(g)     -125.39   -128.25   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.82    -21.33   -1.50  [14C][18O]2
-  [14C]H4(g)     -135.03   -137.89   -2.86  [14C]H4
+  [14C]H4(g)     -136.36   -139.22   -2.86  [14C]H4
   [14C]O2(g)      -14.46    -15.93   -1.47  [14C]O2
   [14C]O[18O](g)  -16.84    -18.63   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.01    -18.31   -2.29  [18O]2
+  [18O]2(g)       -15.35    -17.64   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -43895,14 +43885,14 @@ O(0)          2.494e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -122.10   -124.96   -2.86  CH4
+  CH4(g)         -123.43   -126.29   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.59    -39.74   -3.15  H2
+  H2(g)           -36.92    -40.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.01    -12.91   -2.89  O2
-  O[18O](g)       -12.71    -15.61   -2.89  O[18O]
+  O2(g)            -9.35    -12.24   -2.89  O2
+  O[18O](g)       -12.05    -14.94   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -43966,23 +43956,23 @@ Calcite                                     2.86e-02
 
      R(18O)              	 1.99520e-03	        -4.9876  permil    
      R(13C)              	 1.11411e-02	        -3.4978  permil    
-     R(14C)              	 1.18200e-13	         10.052  pmc       
+     R(14C)              	 1.18201e-13	         10.052  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9891  permil    
      R(18O) OH-          	 1.92123e-03	        -41.877  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9891  permil    
      R(13C) CO2(aq)      	 1.10614e-02	        -10.629  permil    
-     R(14C) CO2(aq)      	 1.16513e-13	         9.9085  pmc       
+     R(14C) CO2(aq)      	 1.16514e-13	         9.9086  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9891  permil    
      R(13C) HCO3-        	 1.11576e-02	         -2.022  permil    
-     R(14C) HCO3-        	 1.18549e-13	         10.082  pmc       
+     R(14C) HCO3-        	 1.18550e-13	         10.082  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9891  permil    
      R(13C) CO3-2        	 1.11416e-02	        -3.4541  permil    
-     R(14C) CO3-2        	 1.18209e-13	         10.053  pmc       
+     R(14C) CO3-2        	 1.18210e-13	         10.053  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
-     R(13C) Calcite      	 1.11797e-02	      -0.045306  permil    
-     R(14C) Calcite      	 1.19019e-13	         10.122  pmc       
+     R(13C) Calcite      	 1.11797e-02	      -0.045305  permil    
+     R(14C) Calcite      	 1.19020e-13	         10.122  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -43992,12 +43982,12 @@ Calcite                                     2.86e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2525e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2382e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7006e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6469e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -44017,14 +44007,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.290      Adjusted to redox equilibrium
+                                       pe  =  11.470      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -44039,14 +44029,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.835  -124.834     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.270  -126.269     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -44054,9 +44044,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -44064,50 +44054,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.927e-40
-   H2              1.963e-40   1.967e-40   -39.707   -39.706     0.001     (0)  
-O(0)          2.152e-13
-   O2              1.072e-13   1.073e-13   -12.970   -12.969     0.001     (0)  
-   O[18O]          4.276e-16   4.283e-16   -15.369   -15.368     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.066   -40.065     0.001     (0)  
+O(0)          1.123e-12
+   O2              5.593e-13   5.602e-13   -12.252   -12.252     0.001     (0)  
+   O[18O]          2.232e-15   2.235e-15   -14.651   -14.651     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.791  -126.790     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.226  -128.225     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.248e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.101e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.579e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.580e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.186e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.768  -137.768     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.204  -139.203     0.001     (0)  
 [14C](4)      6.903e-16
    H[14C]O3-       5.576e-16   5.101e-16   -15.254   -15.292    -0.039     (0)  
    [14C]O2         1.160e-16   1.162e-16   -15.935   -15.935     0.001     (0)  
    CaH[14C]O3+     1.177e-17   1.080e-17   -16.929   -16.967    -0.037     (0)  
-   H[14C]O2[18O]-   1.113e-18   1.018e-18   -17.954   -17.992    -0.039     (0)  
-   H[14C]O[18O]O-   1.113e-18   1.018e-18   -17.954   -17.992    -0.039     (0)  
    H[14C][18O]O2-   1.113e-18   1.018e-18   -17.954   -17.992    -0.039     (0)  
+   H[14C]O[18O]O-   1.113e-18   1.018e-18   -17.954   -17.992    -0.039     (0)  
+   H[14C]O2[18O]-   1.113e-18   1.018e-18   -17.954   -17.992    -0.039     (0)  
    Ca[14C]O3       6.455e-19   6.466e-19   -18.190   -18.189     0.001     (0)  
    [14C]O[18O]     4.825e-19   4.833e-19   -18.317   -18.316     0.001     (0)  
    [14C]O3-2       3.311e-19   2.320e-19   -18.480   -18.635    -0.155     (0)  
    CaH[14C]O2[18O]+   2.349e-20   2.155e-20   -19.629   -19.667    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.349e-20   2.155e-20   -19.629   -19.667    -0.037     (0)  
    CaH[14C][18O]O2+   2.349e-20   2.155e-20   -19.629   -19.667    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.349e-20   2.155e-20   -19.629   -19.667    -0.037     (0)  
    Ca[14C]O2[18O]   3.864e-21   3.870e-21   -20.413   -20.412     0.001     (0)  
    H[14C]O[18O]2-   2.220e-21   2.031e-21   -20.654   -20.692    -0.039     (0)  
    H[14C][18O]2O-   2.220e-21   2.031e-21   -20.654   -20.692    -0.039     (0)  
@@ -44116,29 +44106,29 @@ O(0)          2.152e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.285e-16
-   O[18O]          4.276e-16   4.283e-16   -15.369   -15.368     0.001     (0)  
-   [18O]2          4.266e-19   4.273e-19   -18.370   -18.369     0.001     (0)  
+[18O](0)      2.236e-15
+   O[18O]          2.232e-15   2.235e-15   -14.651   -14.651     0.001     (0)  
+   [18O]2          2.226e-18   2.230e-18   -17.652   -17.652     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.93   -126.79   -2.86  [13C]H4
+  [13C]H4(g)     -125.37   -128.23   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.83    -21.33   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.91   -137.77   -2.86  [14C]H4
+  [14C]H4(g)     -136.34   -139.20   -2.86  [14C]H4
   [14C]O2(g)      -14.47    -15.93   -1.47  [14C]O2
   [14C]O[18O](g)  -16.85    -18.63   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.08    -18.37   -2.29  [18O]2
+  [18O]2(g)       -15.36    -17.65   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -44152,14 +44142,14 @@ O(0)          2.152e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.97   -124.83   -2.86  CH4
+  CH4(g)         -123.41   -126.27   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.56    -39.71   -3.15  H2
+  H2(g)           -36.92    -40.07   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.08    -12.97   -2.89  O2
-  O[18O](g)       -12.78    -15.67   -2.89  O[18O]
+  O2(g)            -9.36    -12.25   -2.89  O2
+  O[18O](g)       -12.06    -14.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -44223,23 +44213,23 @@ Calcite                                     2.91e-02
 
      R(18O)              	 1.99520e-03	        -4.9875  permil    
      R(13C)              	 1.11414e-02	        -3.4676  permil    
-     R(14C)              	 1.16507e-13	          9.908  pmc       
+     R(14C)              	 1.16508e-13	         9.9081  pmc       
      R(18O) H2O(l)       	 1.99520e-03	         -4.989  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	         -4.989  permil    
      R(13C) CO2(aq)      	 1.10617e-02	        -10.599  permil    
-     R(14C) CO2(aq)      	 1.14844e-13	         9.7666  pmc       
+     R(14C) CO2(aq)      	 1.14845e-13	         9.7667  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	         -4.989  permil    
      R(13C) HCO3-        	 1.11579e-02	        -1.9917  permil    
-     R(14C) HCO3-        	 1.16851e-13	         9.9373  pmc       
+     R(14C) HCO3-        	 1.16852e-13	         9.9373  pmc       
      R(18O) CO3-2        	 1.99520e-03	         -4.989  permil    
      R(13C) CO3-2        	 1.11419e-02	        -3.4239  permil    
-     R(14C) CO3-2        	 1.16516e-13	         9.9088  pmc       
+     R(14C) CO3-2        	 1.16517e-13	         9.9088  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.657  permil    
-     R(13C) Calcite      	 1.11800e-02	      -0.014995  permil    
-     R(14C) Calcite      	 1.17314e-13	         9.9767  pmc       
+     R(13C) Calcite      	 1.11800e-02	      -0.014994  permil    
+     R(14C) Calcite      	 1.17315e-13	         9.9767  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -44249,12 +44239,12 @@ Calcite                                     2.91e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1     -2.26e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2455e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.3323e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6845e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6968e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -44274,14 +44264,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.278      Adjusted to redox equilibrium
+                                       pe  =  11.468      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -44296,24 +44286,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.738  -124.738     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.258  -126.257     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -44321,23 +44311,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.151e-40
-   H2              2.076e-40   2.079e-40   -39.683   -39.682     0.001     (0)  
-O(0)          1.925e-13
-   O2              9.589e-14   9.604e-14   -13.018   -13.018     0.001     (0)  
-   O[18O]          3.826e-16   3.833e-16   -15.417   -15.417     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.063   -40.062     0.001     (0)  
+O(0)          1.107e-12
+   O2              5.515e-13   5.524e-13   -12.258   -12.258     0.001     (0)  
+   O[18O]          2.201e-15   2.204e-15   -14.657   -14.657     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.694  -126.694     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.214  -128.213     0.001     (0)  
 [13C](4)      6.506e-05
    H[13C]O3-       5.248e-05   4.801e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
@@ -44346,56 +44336,56 @@ O(0)          1.925e-13
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.678  -137.677     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.198  -139.197     0.001     (0)  
 [14C](4)      6.804e-16
    H[14C]O3-       5.496e-16   5.028e-16   -15.260   -15.299    -0.039     (0)  
    [14C]O2         1.144e-16   1.146e-16   -15.942   -15.941     0.001     (0)  
    CaH[14C]O3+     1.161e-17   1.065e-17   -16.935   -16.973    -0.037     (0)  
-   H[14C]O2[18O]-   1.097e-18   1.003e-18   -17.960   -17.999    -0.039     (0)  
-   H[14C]O[18O]O-   1.097e-18   1.003e-18   -17.960   -17.999    -0.039     (0)  
    H[14C][18O]O2-   1.097e-18   1.003e-18   -17.960   -17.999    -0.039     (0)  
-   Ca[14C]O3       6.362e-19   6.373e-19   -18.196   -18.196     0.001     (0)  
+   H[14C]O[18O]O-   1.097e-18   1.003e-18   -17.960   -17.999    -0.039     (0)  
+   H[14C]O2[18O]-   1.097e-18   1.003e-18   -17.960   -17.999    -0.039     (0)  
+   Ca[14C]O3       6.363e-19   6.373e-19   -18.196   -18.196     0.001     (0)  
    [14C]O[18O]     4.756e-19   4.763e-19   -18.323   -18.322     0.001     (0)  
    [14C]O3-2       3.264e-19   2.286e-19   -18.486   -18.641    -0.155     (0)  
    CaH[14C]O2[18O]+   2.316e-20   2.124e-20   -19.635   -19.673    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.316e-20   2.124e-20   -19.635   -19.673    -0.037     (0)  
    CaH[14C][18O]O2+   2.316e-20   2.124e-20   -19.635   -19.673    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.316e-20   2.124e-20   -19.635   -19.673    -0.037     (0)  
    Ca[14C]O2[18O]   3.808e-21   3.815e-21   -20.419   -20.419     0.001     (0)  
-   H[14C]O[18O]2-   2.188e-21   2.002e-21   -20.660   -20.699    -0.039     (0)  
    H[14C][18O]2O-   2.188e-21   2.002e-21   -20.660   -20.699    -0.039     (0)  
    H[14C][18O]O[18O]-   2.188e-21   2.002e-21   -20.660   -20.699    -0.039     (0)  
+   H[14C]O[18O]2-   2.188e-21   2.002e-21   -20.660   -20.699    -0.039     (0)  
    [14C]O2[18O]-2   1.954e-21   1.369e-21   -20.709   -20.864    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.834e-16
-   O[18O]          3.826e-16   3.833e-16   -15.417   -15.417     0.001     (0)  
-   [18O]2          3.817e-19   3.823e-19   -18.418   -18.418     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.205e-15
+   O[18O]          2.201e-15   2.204e-15   -14.657   -14.657     0.001     (0)  
+   [18O]2          2.195e-18   2.199e-18   -17.658   -17.658     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.83   -126.69   -2.86  [13C]H4
+  [13C]H4(g)     -125.35   -128.21   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.84    -21.34   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.82   -137.68   -2.86  [14C]H4
+  [14C]H4(g)     -136.34   -139.20   -2.86  [14C]H4
   [14C]O2(g)      -14.47    -15.94   -1.47  [14C]O2
   [14C]O[18O](g)  -16.85    -18.64   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.13    -18.42   -2.29  [18O]2
+  [18O]2(g)       -15.37    -17.66   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -44409,14 +44399,14 @@ O(0)          1.925e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.88   -124.74   -2.86  CH4
+  CH4(g)         -123.40   -126.26   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.53    -39.68   -3.15  H2
+  H2(g)           -36.91    -40.06   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.13    -13.02   -2.89  O2
-  O[18O](g)       -12.83    -15.72   -2.89  O[18O]
+  O2(g)            -9.37    -12.26   -2.89  O2
+  O[18O](g)       -12.07    -14.96   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -44486,16 +44476,16 @@ Calcite                                     2.96e-02
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9889  permil    
      R(13C) CO2(aq)      	 1.10620e-02	         -10.57  permil    
-     R(14C) CO2(aq)      	 1.13222e-13	         9.6287  pmc       
+     R(14C) CO2(aq)      	 1.13223e-13	         9.6287  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9889  permil    
      R(13C) HCO3-        	 1.11583e-02	        -1.9623  permil    
-     R(14C) HCO3-        	 1.15201e-13	         9.7969  pmc       
+     R(14C) HCO3-        	 1.15202e-13	          9.797  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9889  permil    
      R(13C) CO3-2        	 1.11422e-02	        -3.3946  permil    
-     R(14C) CO3-2        	 1.14870e-13	         9.7688  pmc       
+     R(14C) CO3-2        	 1.14871e-13	         9.7689  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
-     R(13C) Calcite      	 1.11804e-02	       0.014461  permil    
+     R(13C) Calcite      	 1.11804e-02	       0.014462  permil    
      R(14C) Calcite      	 1.15658e-13	         9.8358  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
@@ -44506,12 +44496,12 @@ Calcite                                     2.96e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2553e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2716e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7905e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6654e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -44531,14 +44521,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.274      Adjusted to redox equilibrium
+                                       pe  =  11.469      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -44553,14 +44543,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.701  -124.700     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.263  -126.262     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -44568,9 +44558,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -44578,81 +44568,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.241e-40
-   H2              2.121e-40   2.124e-40   -39.674   -39.673     0.001     (0)  
-O(0)          1.845e-13
-   O2              9.188e-14   9.203e-14   -13.037   -13.036     0.001     (0)  
-   O[18O]          3.666e-16   3.672e-16   -15.436   -15.435     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.064   -40.063     0.001     (0)  
+O(0)          1.114e-12
+   O2              5.546e-13   5.555e-13   -12.256   -12.255     0.001     (0)  
+   O[18O]          2.213e-15   2.217e-15   -14.655   -14.654     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.657  -126.657     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.219  -128.218     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.248e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.094e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.647  -137.646     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.209  -139.208     0.001     (0)  
 [14C](4)      6.708e-16
-   H[14C]O3-       5.418e-16   4.957e-16   -15.266   -15.305    -0.039     (0)  
+   H[14C]O3-       5.419e-16   4.957e-16   -15.266   -15.305    -0.039     (0)  
    [14C]O2         1.127e-16   1.129e-16   -15.948   -15.947     0.001     (0)  
    CaH[14C]O3+     1.144e-17   1.050e-17   -16.941   -16.979    -0.037     (0)  
-   H[14C]O2[18O]-   1.081e-18   9.891e-19   -17.966   -18.005    -0.039     (0)  
-   H[14C]O[18O]O-   1.081e-18   9.891e-19   -17.966   -18.005    -0.039     (0)  
    H[14C][18O]O2-   1.081e-18   9.891e-19   -17.966   -18.005    -0.039     (0)  
+   H[14C]O[18O]O-   1.081e-18   9.891e-19   -17.966   -18.005    -0.039     (0)  
+   H[14C]O2[18O]-   1.081e-18   9.891e-19   -17.966   -18.005    -0.039     (0)  
    Ca[14C]O3       6.273e-19   6.283e-19   -18.203   -18.202     0.001     (0)  
    [14C]O[18O]     4.688e-19   4.696e-19   -18.329   -18.328     0.001     (0)  
    [14C]O3-2       3.218e-19   2.254e-19   -18.492   -18.647    -0.155     (0)  
    CaH[14C]O2[18O]+   2.283e-20   2.094e-20   -19.642   -19.679    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.283e-20   2.094e-20   -19.642   -19.679    -0.037     (0)  
    CaH[14C][18O]O2+   2.283e-20   2.094e-20   -19.642   -19.679    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.283e-20   2.094e-20   -19.642   -19.679    -0.037     (0)  
    Ca[14C]O2[18O]   3.755e-21   3.761e-21   -20.425   -20.425     0.001     (0)  
+   H[14C][18O]O[18O]-   2.157e-21   1.973e-21   -20.666   -20.705    -0.039     (0)  
    H[14C]O[18O]2-   2.157e-21   1.973e-21   -20.666   -20.705    -0.039     (0)  
    H[14C][18O]2O-   2.157e-21   1.973e-21   -20.666   -20.705    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.157e-21   1.973e-21   -20.666   -20.705    -0.039     (0)  
    [14C]O2[18O]-2   1.926e-21   1.349e-21   -20.715   -20.870    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.674e-16
-   O[18O]          3.666e-16   3.672e-16   -15.436   -15.435     0.001     (0)  
-   [18O]2          3.657e-19   3.663e-19   -18.437   -18.436     0.001     (0)  
+[18O](0)      2.217e-15
+   O[18O]          2.213e-15   2.217e-15   -14.655   -14.654     0.001     (0)  
+   [18O]2          2.208e-18   2.211e-18   -17.656   -17.655     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.80   -126.66   -2.86  [13C]H4
+  [13C]H4(g)     -125.36   -128.22   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.84    -21.35   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.79   -137.65   -2.86  [14C]H4
+  [14C]H4(g)     -136.35   -139.21   -2.86  [14C]H4
   [14C]O2(g)      -14.48    -15.95   -1.47  [14C]O2
   [14C]O[18O](g)  -16.86    -18.65   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.15    -18.44   -2.29  [18O]2
+  [18O]2(g)       -15.37    -17.66   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -44666,14 +44656,14 @@ O(0)          1.845e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.84   -124.70   -2.86  CH4
+  CH4(g)         -123.40   -126.26   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.52    -39.67   -3.15  H2
+  H2(g)           -36.91    -40.06   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.14    -13.04   -2.89  O2
-  O[18O](g)       -12.84    -15.74   -2.89  O[18O]
+  O2(g)            -9.36    -12.26   -2.89  O2
+  O[18O](g)       -12.06    -14.96   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -44737,7 +44727,7 @@ Calcite                                     3.01e-02
 
      R(18O)              	 1.99520e-03	        -4.9872  permil    
      R(13C)              	 1.11421e-02	        -3.4097  permil    
-     R(14C)              	 1.13262e-13	          9.632  pmc       
+     R(14C)              	 1.13263e-13	         9.6321  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9887  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
@@ -44747,13 +44737,13 @@ Calcite                                     3.01e-02
      R(18O) CO2(aq)      	 2.07916e-03	         36.885  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9887  permil    
      R(13C) HCO3-        	 1.11586e-02	        -1.9337  permil    
-     R(14C) HCO3-        	 1.13597e-13	         9.6605  pmc       
+     R(14C) HCO3-        	 1.13597e-13	         9.6606  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9887  permil    
      R(13C) CO3-2        	 1.11426e-02	         -3.366  permil    
-     R(14C) CO3-2        	 1.13271e-13	         9.6328  pmc       
+     R(14C) CO3-2        	 1.13272e-13	         9.6329  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
      R(13C) Calcite      	 1.11807e-02	       0.043097  permil    
-     R(14C) Calcite      	 1.14047e-13	         9.6988  pmc       
+     R(14C) Calcite      	 1.14048e-13	         9.6989  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -44763,12 +44753,12 @@ Calcite                                     3.01e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2732e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2908e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -7.9936e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6476e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5935e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -44788,14 +44778,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.267      Adjusted to redox equilibrium
+                                       pe  =  11.467      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -44810,24 +44800,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.646  -124.645     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.248  -126.247     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -44835,50 +44825,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.084e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.378e-40
-   H2              2.189e-40   2.192e-40   -39.660   -39.659     0.001     (0)  
-O(0)          1.731e-13
-   O2              8.623e-14   8.637e-14   -13.064   -13.064     0.001     (0)  
-   O[18O]          3.441e-16   3.447e-16   -15.463   -15.463     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.060   -40.060     0.001     (0)  
+O(0)          1.095e-12
+   O2              5.454e-13   5.463e-13   -12.263   -12.263     0.001     (0)  
+   O[18O]          2.176e-15   2.180e-15   -14.662   -14.662     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.602  -126.601     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.204  -128.204     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.248e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.580e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.084e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.028e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.911e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.598  -137.597     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.200  -139.200     0.001     (0)  
 [14C](4)      6.614e-16
    H[14C]O3-       5.343e-16   4.888e-16   -15.272   -15.311    -0.039     (0)  
    [14C]O2         1.112e-16   1.114e-16   -15.954   -15.953     0.001     (0)  
    CaH[14C]O3+     1.128e-17   1.035e-17   -16.948   -16.985    -0.037     (0)  
-   H[14C]O2[18O]-   1.066e-18   9.753e-19   -17.972   -18.011    -0.039     (0)  
-   H[14C]O[18O]O-   1.066e-18   9.753e-19   -17.972   -18.011    -0.039     (0)  
    H[14C][18O]O2-   1.066e-18   9.753e-19   -17.972   -18.011    -0.039     (0)  
+   H[14C]O[18O]O-   1.066e-18   9.753e-19   -17.972   -18.011    -0.039     (0)  
+   H[14C]O2[18O]-   1.066e-18   9.753e-19   -17.972   -18.011    -0.039     (0)  
    Ca[14C]O3       6.185e-19   6.195e-19   -18.209   -18.208     0.001     (0)  
    [14C]O[18O]     4.623e-19   4.631e-19   -18.335   -18.334     0.001     (0)  
    [14C]O3-2       3.173e-19   2.223e-19   -18.499   -18.653    -0.155     (0)  
    CaH[14C]O2[18O]+   2.251e-20   2.065e-20   -19.648   -19.685    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.251e-20   2.065e-20   -19.648   -19.685    -0.037     (0)  
    CaH[14C][18O]O2+   2.251e-20   2.065e-20   -19.648   -19.685    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.251e-20   2.065e-20   -19.648   -19.685    -0.037     (0)  
    Ca[14C]O2[18O]   3.702e-21   3.708e-21   -20.432   -20.431     0.001     (0)  
    H[14C]O[18O]2-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
    H[14C][18O]2O-   2.127e-21   1.946e-21   -20.672   -20.711    -0.039     (0)  
@@ -44887,29 +44877,29 @@ O(0)          1.731e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.448e-16
-   O[18O]          3.441e-16   3.447e-16   -15.463   -15.463     0.001     (0)  
-   [18O]2          3.433e-19   3.438e-19   -18.464   -18.464     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.181e-15
+   O[18O]          2.176e-15   2.180e-15   -14.662   -14.662     0.001     (0)  
+   [18O]2          2.171e-18   2.175e-18   -17.663   -17.663     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.74   -126.60   -2.86  [13C]H4
+  [13C]H4(g)     -125.34   -128.20   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.85    -21.35   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.74   -137.60   -2.86  [14C]H4
+  [14C]H4(g)     -136.34   -139.20   -2.86  [14C]H4
   [14C]O2(g)      -14.48    -15.95   -1.47  [14C]O2
   [14C]O[18O](g)  -16.87    -18.65   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.17    -18.46   -2.29  [18O]2
+  [18O]2(g)       -15.37    -17.66   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -44923,14 +44913,14 @@ O(0)          1.731e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.79   -124.65   -2.86  CH4
+  CH4(g)         -123.39   -126.25   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.51    -39.66   -3.15  H2
+  H2(g)           -36.91    -40.06   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.17    -13.06   -2.89  O2
-  O[18O](g)       -12.87    -15.76   -2.89  O[18O]
+  O2(g)            -9.37    -12.26   -2.89  O2
+  O[18O](g)       -12.07    -14.96   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -44994,23 +44984,23 @@ Calcite                                     3.06e-02
 
      R(18O)              	 1.99520e-03	        -4.9871  permil    
      R(13C)              	 1.11424e-02	         -3.382  permil    
-     R(14C)              	 1.11706e-13	         9.4998  pmc       
+     R(14C)              	 1.11707e-13	         9.4998  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9886  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9886  permil    
      R(13C) CO2(aq)      	 1.10626e-02	        -10.514  permil    
-     R(14C) CO2(aq)      	 1.10112e-13	         9.3642  pmc       
+     R(14C) CO2(aq)      	 1.10113e-13	         9.3642  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9886  permil    
      R(13C) HCO3-        	 1.11589e-02	        -1.9059  permil    
-     R(14C) HCO3-        	 1.12036e-13	         9.5278  pmc       
+     R(14C) HCO3-        	 1.12037e-13	         9.5279  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9886  permil    
      R(13C) CO3-2        	 1.11429e-02	        -3.3383  permil    
-     R(14C) CO3-2        	 1.11715e-13	         9.5005  pmc       
+     R(14C) CO3-2        	 1.11716e-13	         9.5005  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
-     R(13C) Calcite      	 1.11810e-02	       0.070946  permil    
-     R(14C) Calcite      	 1.12481e-13	         9.5656  pmc       
+     R(13C) Calcite      	 1.11810e-02	       0.070947  permil    
+     R(14C) Calcite      	 1.12481e-13	         9.5657  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -45020,12 +45010,12 @@ Calcite                                     3.06e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2807e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2643e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.9984e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7109e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7243e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -45045,14 +45035,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.277      Adjusted to redox equilibrium
+                                       pe  =  11.469      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -45067,13 +45057,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.728  -124.728     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.267  -126.267     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -45082,9 +45072,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -45092,23 +45082,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.175e-40
-   H2              2.087e-40   2.091e-40   -39.680   -39.680     0.001     (0)  
-O(0)          1.904e-13
-   O2              9.481e-14   9.497e-14   -13.023   -13.022     0.001     (0)  
-   O[18O]          3.783e-16   3.790e-16   -15.422   -15.421     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.065   -40.064     0.001     (0)  
+O(0)          1.120e-12
+   O2              5.575e-13   5.584e-13   -12.254   -12.253     0.001     (0)  
+   O[18O]          2.225e-15   2.228e-15   -14.653   -14.652     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.685  -126.684     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.223  -128.223     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.588e-08    -7.339    -7.338     0.001     (0)  
@@ -45117,56 +45107,56 @@ O(0)          1.904e-13
    CaH[13C]O[18O]O+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.687  -137.686     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.225  -139.225     0.001     (0)  
 [14C](4)      6.524e-16
    H[14C]O3-       5.270e-16   4.821e-16   -15.278   -15.317    -0.039     (0)  
    [14C]O2         1.097e-16   1.098e-16   -15.960   -15.959     0.001     (0)  
    CaH[14C]O3+     1.113e-17   1.021e-17   -16.954   -16.991    -0.037     (0)  
-   H[14C]O2[18O]-   1.051e-18   9.619e-19   -17.978   -18.017    -0.039     (0)  
-   H[14C]O[18O]O-   1.051e-18   9.619e-19   -17.978   -18.017    -0.039     (0)  
    H[14C][18O]O2-   1.051e-18   9.619e-19   -17.978   -18.017    -0.039     (0)  
+   H[14C]O[18O]O-   1.051e-18   9.619e-19   -17.978   -18.017    -0.039     (0)  
+   H[14C]O2[18O]-   1.051e-18   9.619e-19   -17.978   -18.017    -0.039     (0)  
    Ca[14C]O3       6.100e-19   6.110e-19   -18.215   -18.214     0.001     (0)  
    [14C]O[18O]     4.560e-19   4.567e-19   -18.341   -18.340     0.001     (0)  
    [14C]O3-2       3.129e-19   2.192e-19   -18.505   -18.659    -0.155     (0)  
    CaH[14C]O2[18O]+   2.220e-20   2.037e-20   -19.654   -19.691    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.220e-20   2.037e-20   -19.654   -19.691    -0.037     (0)  
    CaH[14C][18O]O2+   2.220e-20   2.037e-20   -19.654   -19.691    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.220e-20   2.037e-20   -19.654   -19.691    -0.037     (0)  
    Ca[14C]O2[18O]   3.651e-21   3.657e-21   -20.438   -20.437     0.001     (0)  
-   H[14C]O[18O]2-   2.098e-21   1.919e-21   -20.678   -20.717    -0.039     (0)  
    H[14C][18O]2O-   2.098e-21   1.919e-21   -20.678   -20.717    -0.039     (0)  
    H[14C][18O]O[18O]-   2.098e-21   1.919e-21   -20.678   -20.717    -0.039     (0)  
+   H[14C]O[18O]2-   2.098e-21   1.919e-21   -20.678   -20.717    -0.039     (0)  
    [14C]O2[18O]-2   1.873e-21   1.312e-21   -20.727   -20.882    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.791e-16
-   O[18O]          3.783e-16   3.790e-16   -15.422   -15.421     0.001     (0)  
-   [18O]2          3.774e-19   3.780e-19   -18.423   -18.422     0.001     (0)  
+[18O](0)      2.229e-15
+   O[18O]          2.225e-15   2.228e-15   -14.653   -14.652     0.001     (0)  
+   [18O]2          2.219e-18   2.223e-18   -17.654   -17.653     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.82   -126.68   -2.86  [13C]H4
+  [13C]H4(g)     -125.36   -128.22   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.86    -21.36   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.83   -137.69   -2.86  [14C]H4
+  [14C]H4(g)     -136.36   -139.22   -2.86  [14C]H4
   [14C]O2(g)      -14.49    -15.96   -1.47  [14C]O2
   [14C]O[18O](g)  -16.87    -18.66   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.13    -18.42   -2.29  [18O]2
+  [18O]2(g)       -15.36    -17.65   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -45180,14 +45170,14 @@ O(0)          1.904e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.87   -124.73   -2.86  CH4
+  CH4(g)         -123.41   -126.27   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.53    -39.68   -3.15  H2
+  H2(g)           -36.91    -40.06   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.13    -13.02   -2.89  O2
-  O[18O](g)       -12.83    -15.72   -2.89  O[18O]
+  O2(g)            -9.36    -12.25   -2.89  O2
+  O[18O](g)       -12.06    -14.95   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -45251,23 +45241,23 @@ Calcite                                     3.11e-02
 
      R(18O)              	 1.99520e-03	        -4.9869  permil    
      R(13C)              	 1.11427e-02	         -3.355  permil    
-     R(14C)              	 1.10193e-13	          9.371  pmc       
+     R(14C)              	 1.10194e-13	         9.3711  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9885  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	         18.019  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9885  permil    
      R(13C) CO2(aq)      	 1.10629e-02	        -10.488  permil    
-     R(14C) CO2(aq)      	 1.08620e-13	         9.2373  pmc       
+     R(14C) CO2(aq)      	 1.08621e-13	         9.2374  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9885  permil    
      R(13C) HCO3-        	 1.11592e-02	        -1.8789  permil    
-     R(14C) HCO3-        	 1.10518e-13	         9.3987  pmc       
+     R(14C) HCO3-        	 1.10519e-13	         9.3988  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9885  permil    
      R(13C) CO3-2        	 1.11432e-02	        -3.3113  permil    
-     R(14C) CO3-2        	 1.10201e-13	         9.3718  pmc       
+     R(14C) CO3-2        	 1.10202e-13	         9.3718  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
-     R(13C) Calcite      	 1.11813e-02	       0.098041  permil    
-     R(14C) Calcite      	 1.10957e-13	          9.436  pmc       
+     R(13C) Calcite      	 1.11813e-02	       0.098042  permil    
+     R(14C) Calcite      	 1.10957e-13	         9.4361  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -45277,12 +45267,12 @@ Calcite                                     3.11e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2471e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2308e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.4401e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.675e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6884e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -45302,14 +45292,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.264      Adjusted to redox equilibrium
+                                       pe  =  11.467      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -45324,24 +45314,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.625  -124.624     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.245  -126.244     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -45349,81 +45339,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.432e-40
-   H2              2.216e-40   2.220e-40   -39.654   -39.654     0.001     (0)  
-O(0)          1.689e-13
-   O2              8.412e-14   8.426e-14   -13.075   -13.074     0.001     (0)  
-   O[18O]          3.357e-16   3.362e-16   -15.474   -15.473     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.059   -40.059     0.001     (0)  
+O(0)          1.091e-12
+   O2              5.432e-13   5.441e-13   -12.265   -12.264     0.001     (0)  
+   O[18O]          2.168e-15   2.171e-15   -14.664   -14.663     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.581  -126.580     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.201  -128.200     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.589  -137.588     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.209  -139.208     0.001     (0)  
 [14C](4)      6.435e-16
    H[14C]O3-       5.198e-16   4.756e-16   -15.284   -15.323    -0.039     (0)  
    [14C]O2         1.082e-16   1.083e-16   -15.966   -15.965     0.001     (0)  
    CaH[14C]O3+     1.098e-17   1.007e-17   -16.960   -16.997    -0.037     (0)  
-   H[14C]O2[18O]-   1.037e-18   9.489e-19   -17.984   -18.023    -0.039     (0)  
-   H[14C]O[18O]O-   1.037e-18   9.489e-19   -17.984   -18.023    -0.039     (0)  
    H[14C][18O]O2-   1.037e-18   9.489e-19   -17.984   -18.023    -0.039     (0)  
+   H[14C]O[18O]O-   1.037e-18   9.489e-19   -17.984   -18.023    -0.039     (0)  
+   H[14C]O2[18O]-   1.037e-18   9.489e-19   -17.984   -18.023    -0.039     (0)  
    Ca[14C]O3       6.018e-19   6.028e-19   -18.221   -18.220     0.001     (0)  
    [14C]O[18O]     4.498e-19   4.505e-19   -18.347   -18.346     0.001     (0)  
    [14C]O3-2       3.087e-19   2.163e-19   -18.510   -18.665    -0.155     (0)  
    CaH[14C]O2[18O]+   2.190e-20   2.009e-20   -19.660   -19.697    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.190e-20   2.009e-20   -19.660   -19.697    -0.037     (0)  
    CaH[14C][18O]O2+   2.190e-20   2.009e-20   -19.660   -19.697    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.190e-20   2.009e-20   -19.660   -19.697    -0.037     (0)  
    Ca[14C]O2[18O]   3.602e-21   3.608e-21   -20.443   -20.443     0.001     (0)  
+   H[14C][18O]O[18O]-   2.069e-21   1.893e-21   -20.684   -20.723    -0.039     (0)  
    H[14C]O[18O]2-   2.069e-21   1.893e-21   -20.684   -20.723    -0.039     (0)  
    H[14C][18O]2O-   2.069e-21   1.893e-21   -20.684   -20.723    -0.039     (0)  
-   H[14C][18O]O[18O]-   2.069e-21   1.893e-21   -20.684   -20.723    -0.039     (0)  
    [14C]O2[18O]-2   1.848e-21   1.294e-21   -20.733   -20.888    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.363e-16
-   O[18O]          3.357e-16   3.362e-16   -15.474   -15.473     0.001     (0)  
-   [18O]2          3.349e-19   3.354e-19   -18.475   -18.474     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.172e-15
+   O[18O]          2.168e-15   2.171e-15   -14.664   -14.663     0.001     (0)  
+   [18O]2          2.162e-18   2.166e-18   -17.665   -17.664     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.72   -126.58   -2.86  [13C]H4
+  [13C]H4(g)     -125.34   -128.20   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.86    -21.37   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.73   -137.59   -2.86  [14C]H4
+  [14C]H4(g)     -136.35   -139.21   -2.86  [14C]H4
   [14C]O2(g)      -14.50    -15.97   -1.47  [14C]O2
   [14C]O[18O](g)  -16.88    -18.67   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.18    -18.47   -2.29  [18O]2
+  [18O]2(g)       -15.37    -17.66   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -45437,14 +45427,14 @@ O(0)          1.689e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.76   -124.62   -2.86  CH4
+  CH4(g)         -123.38   -126.24   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.50    -39.65   -3.15  H2
+  H2(g)           -36.91    -40.06   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.18    -13.07   -2.89  O2
-  O[18O](g)       -12.88    -15.77   -2.89  O[18O]
+  O2(g)            -9.37    -12.26   -2.89  O2
+  O[18O](g)       -12.07    -14.96   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -45508,23 +45498,23 @@ Calcite                                     3.16e-02
 
      R(18O)              	 1.99520e-03	        -4.9868  permil    
      R(13C)              	 1.11430e-02	        -3.3287  permil    
-     R(14C)              	 1.08720e-13	         9.2458  pmc       
+     R(14C)              	 1.08721e-13	         9.2458  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9883  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9883  permil    
      R(13C) CO2(aq)      	 1.10632e-02	        -10.461  permil    
-     R(14C) CO2(aq)      	 1.07168e-13	         9.1138  pmc       
+     R(14C) CO2(aq)      	 1.07169e-13	         9.1139  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9883  permil    
      R(13C) HCO3-        	 1.11595e-02	        -1.8526  permil    
-     R(14C) HCO3-        	 1.09041e-13	         9.2731  pmc       
+     R(14C) HCO3-        	 1.09042e-13	         9.2731  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9883  permil    
      R(13C) CO3-2        	 1.11435e-02	         -3.285  permil    
-     R(14C) CO3-2        	 1.08728e-13	         9.2465  pmc       
+     R(14C) CO3-2        	 1.08729e-13	         9.2466  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
      R(13C) Calcite      	 1.11816e-02	        0.12441  permil    
-     R(14C) Calcite      	 1.09473e-13	         9.3099  pmc       
+     R(14C) Calcite      	 1.09474e-13	         9.3099  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -45534,12 +45524,12 @@ Calcite                                     3.16e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2705e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2534e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5177e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5287e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -45559,14 +45549,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.273      Adjusted to redox equilibrium
+                                       pe  =  11.464      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -45581,14 +45571,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.697  -124.696     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.222  -126.221     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -45596,9 +45586,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -45606,50 +45596,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.251e-40
-   H2              2.125e-40   2.129e-40   -39.673   -39.672     0.001     (0)  
-O(0)          1.836e-13
-   O2              9.145e-14   9.160e-14   -13.039   -13.038     0.001     (0)  
-   O[18O]          3.649e-16   3.655e-16   -15.438   -15.437     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.054   -40.053     0.001     (0)  
+O(0)          1.063e-12
+   O2              5.292e-13   5.301e-13   -12.276   -12.276     0.001     (0)  
+   O[18O]          2.112e-15   2.115e-15   -14.675   -14.675     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.653  -126.653     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.178  -128.177     0.001     (0)  
 [13C](4)      6.507e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.103e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.121e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.211e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.089e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.667  -137.666     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.192  -139.191     0.001     (0)  
 [14C](4)      6.349e-16
    H[14C]O3-       5.129e-16   4.692e-16   -15.290   -15.329    -0.039     (0)  
    [14C]O2         1.067e-16   1.069e-16   -15.972   -15.971     0.001     (0)  
    CaH[14C]O3+     1.083e-17   9.935e-18   -16.965   -17.003    -0.037     (0)  
-   H[14C]O2[18O]-   1.023e-18   9.362e-19   -17.990   -18.029    -0.039     (0)  
-   H[14C]O[18O]O-   1.023e-18   9.362e-19   -17.990   -18.029    -0.039     (0)  
    H[14C][18O]O2-   1.023e-18   9.362e-19   -17.990   -18.029    -0.039     (0)  
+   H[14C]O[18O]O-   1.023e-18   9.362e-19   -17.990   -18.029    -0.039     (0)  
+   H[14C]O2[18O]-   1.023e-18   9.362e-19   -17.990   -18.029    -0.039     (0)  
    Ca[14C]O3       5.937e-19   5.947e-19   -18.226   -18.226     0.001     (0)  
    [14C]O[18O]     4.438e-19   4.445e-19   -18.353   -18.352     0.001     (0)  
    [14C]O3-2       3.046e-19   2.134e-19   -18.516   -18.671    -0.155     (0)  
    CaH[14C]O2[18O]+   2.161e-20   1.982e-20   -19.665   -19.703    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.161e-20   1.982e-20   -19.665   -19.703    -0.037     (0)  
    CaH[14C][18O]O2+   2.161e-20   1.982e-20   -19.665   -19.703    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.161e-20   1.982e-20   -19.665   -19.703    -0.037     (0)  
    Ca[14C]O2[18O]   3.554e-21   3.560e-21   -20.449   -20.449     0.001     (0)  
    H[14C]O[18O]2-   2.042e-21   1.868e-21   -20.690   -20.729    -0.039     (0)  
    H[14C][18O]2O-   2.042e-21   1.868e-21   -20.690   -20.729    -0.039     (0)  
@@ -45658,29 +45648,29 @@ O(0)          1.836e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.657e-16
-   O[18O]          3.649e-16   3.655e-16   -15.438   -15.437     0.001     (0)  
-   [18O]2          3.640e-19   3.646e-19   -18.439   -18.438     0.001     (0)  
+[18O](0)      2.116e-15
+   O[18O]          2.112e-15   2.115e-15   -14.675   -14.675     0.001     (0)  
+   [18O]2          2.107e-18   2.110e-18   -17.676   -17.676     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.79   -126.65   -2.86  [13C]H4
+  [13C]H4(g)     -125.32   -128.18   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.87    -21.37   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.81   -137.67   -2.86  [14C]H4
+  [14C]H4(g)     -136.33   -139.19   -2.86  [14C]H4
   [14C]O2(g)      -14.50    -15.97   -1.47  [14C]O2
   [14C]O[18O](g)  -16.88    -18.67   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.15    -18.44   -2.29  [18O]2
+  [18O]2(g)       -15.39    -17.68   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -45694,14 +45684,14 @@ O(0)          1.836e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.84   -124.70   -2.86  CH4
+  CH4(g)         -123.36   -126.22   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.52    -39.67   -3.15  H2
+  H2(g)           -36.90    -40.05   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.15    -13.04   -2.89  O2
-  O[18O](g)       -12.85    -15.74   -2.89  O[18O]
+  O2(g)            -9.38    -12.28   -2.89  O2
+  O[18O](g)       -12.08    -14.98   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -45765,23 +45755,23 @@ Calcite                                     3.21e-02
 
      R(18O)              	 1.99520e-03	        -4.9867  permil    
      R(13C)              	 1.11433e-02	        -3.3031  permil    
-     R(14C)              	 1.07286e-13	         9.1238  pmc       
+     R(14C)              	 1.07287e-13	         9.1239  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9882  permil    
      R(18O) OH-          	 1.92123e-03	        -41.876  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9882  permil    
      R(13C) CO2(aq)      	 1.10635e-02	        -10.436  permil    
-     R(14C) CO2(aq)      	 1.05755e-13	         8.9936  pmc       
+     R(14C) CO2(aq)      	 1.05755e-13	         8.9937  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9882  permil    
      R(13C) HCO3-        	 1.11598e-02	        -1.8269  permil    
      R(14C) HCO3-        	 1.07603e-13	         9.1508  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9882  permil    
      R(13C) CO3-2        	 1.11438e-02	        -3.2594  permil    
-     R(14C) CO3-2        	 1.07294e-13	         9.1245  pmc       
+     R(14C) CO3-2        	 1.07295e-13	         9.1246  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
      R(13C) Calcite      	 1.11819e-02	        0.15009  permil    
-     R(14C) Calcite      	 1.08029e-13	         9.1871  pmc       
+     R(14C) Calcite      	 1.08030e-13	         9.1871  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -45791,12 +45781,12 @@ Calcite                                     3.21e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2532e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2684e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6904e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7013e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -45816,14 +45806,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.280      Adjusted to redox equilibrium
+                                       pe  =  11.463      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -45838,24 +45828,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.754  -124.753     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.215  -126.214     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -45863,23 +45853,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.115e-40
-   H2              2.057e-40   2.061e-40   -39.687   -39.686     0.001     (0)  
-O(0)          1.960e-13
-   O2              9.761e-14   9.777e-14   -13.010   -13.010     0.001     (0)  
-   O[18O]          3.895e-16   3.902e-16   -15.409   -15.409     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.052   -40.051     0.001     (0)  
+O(0)          1.054e-12
+   O2              5.248e-13   5.256e-13   -12.280   -12.279     0.001     (0)  
+   O[18O]          2.094e-15   2.097e-15   -14.679   -14.678     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.710  -126.709     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.171  -128.170     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.581e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
@@ -45888,56 +45878,56 @@ O(0)          1.960e-13
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.729  -137.729     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.190  -139.190     0.001     (0)  
 [14C](4)      6.265e-16
    H[14C]O3-       5.061e-16   4.630e-16   -15.296   -15.334    -0.039     (0)  
    [14C]O2         1.053e-16   1.055e-16   -15.978   -15.977     0.001     (0)  
    CaH[14C]O3+     1.069e-17   9.804e-18   -16.971   -17.009    -0.037     (0)  
-   H[14C]O2[18O]-   1.010e-18   9.238e-19   -17.996   -18.034    -0.039     (0)  
-   H[14C]O[18O]O-   1.010e-18   9.238e-19   -17.996   -18.034    -0.039     (0)  
    H[14C][18O]O2-   1.010e-18   9.238e-19   -17.996   -18.034    -0.039     (0)  
+   H[14C]O[18O]O-   1.010e-18   9.238e-19   -17.996   -18.034    -0.039     (0)  
+   H[14C]O2[18O]-   1.010e-18   9.238e-19   -17.996   -18.034    -0.039     (0)  
    Ca[14C]O3       5.859e-19   5.869e-19   -18.232   -18.231     0.001     (0)  
    [14C]O[18O]     4.379e-19   4.386e-19   -18.359   -18.358     0.001     (0)  
    [14C]O3-2       3.006e-19   2.106e-19   -18.522   -18.677    -0.155     (0)  
    CaH[14C]O2[18O]+   2.132e-20   1.956e-20   -19.671   -19.709    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.132e-20   1.956e-20   -19.671   -19.709    -0.037     (0)  
    CaH[14C][18O]O2+   2.132e-20   1.956e-20   -19.671   -19.709    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.132e-20   1.956e-20   -19.671   -19.709    -0.037     (0)  
    Ca[14C]O2[18O]   3.507e-21   3.513e-21   -20.455   -20.454     0.001     (0)  
-   H[14C]O[18O]2-   2.015e-21   1.843e-21   -20.696   -20.734    -0.039     (0)  
    H[14C][18O]2O-   2.015e-21   1.843e-21   -20.696   -20.734    -0.039     (0)  
    H[14C][18O]O[18O]-   2.015e-21   1.843e-21   -20.696   -20.734    -0.039     (0)  
+   H[14C]O[18O]2-   2.015e-21   1.843e-21   -20.696   -20.734    -0.039     (0)  
    [14C]O2[18O]-2   1.799e-21   1.260e-21   -20.745   -20.900    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.903e-16
-   O[18O]          3.895e-16   3.902e-16   -15.409   -15.409     0.001     (0)  
-   [18O]2          3.886e-19   3.892e-19   -18.411   -18.410     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.098e-15
+   O[18O]          2.094e-15   2.097e-15   -14.679   -14.678     0.001     (0)  
+   [18O]2          2.089e-18   2.092e-18   -17.680   -17.679     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.85   -126.71   -2.86  [13C]H4
+  [13C]H4(g)     -125.31   -128.17   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.87    -21.38   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.87   -137.73   -2.86  [14C]H4
+  [14C]H4(g)     -136.33   -139.19   -2.86  [14C]H4
   [14C]O2(g)      -14.51    -15.98   -1.47  [14C]O2
   [14C]O[18O](g)  -16.89    -18.68   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.12    -18.41   -2.29  [18O]2
+  [18O]2(g)       -15.39    -17.68   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -45951,14 +45941,14 @@ O(0)          1.960e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.89   -124.75   -2.86  CH4
+  CH4(g)         -123.35   -126.21   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.54    -39.69   -3.15  H2
+  H2(g)           -36.90    -40.05   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.12    -13.01   -2.89  O2
-  O[18O](g)       -12.82    -15.71   -2.89  O[18O]
+  O2(g)            -9.39    -12.28   -2.89  O2
+  O[18O](g)       -12.09    -14.98   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -46022,23 +46012,23 @@ Calcite                                     3.26e-02
 
      R(18O)              	 1.99520e-03	        -4.9865  permil    
      R(13C)              	 1.11435e-02	        -3.2782  permil    
-     R(14C)              	 1.05889e-13	          9.005  pmc       
+     R(14C)              	 1.05890e-13	         9.0051  pmc       
      R(18O) H2O(l)       	 1.99520e-03	         -4.988  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	         -4.988  permil    
      R(13C) CO2(aq)      	 1.10638e-02	        -10.411  permil    
-     R(14C) CO2(aq)      	 1.04378e-13	         8.8765  pmc       
+     R(14C) CO2(aq)      	 1.04378e-13	         8.8766  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	         -4.988  permil    
      R(13C) HCO3-        	 1.11601e-02	         -1.802  permil    
-     R(14C) HCO3-        	 1.06202e-13	         9.0316  pmc       
+     R(14C) HCO3-        	 1.06202e-13	         9.0317  pmc       
      R(18O) CO3-2        	 1.99520e-03	         -4.988  permil    
      R(13C) CO3-2        	 1.11440e-02	        -3.2345  permil    
-     R(14C) CO3-2        	 1.05897e-13	         9.0057  pmc       
+     R(14C) CO3-2        	 1.05898e-13	         9.0058  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.658  permil    
      R(13C) Calcite      	 1.11822e-02	         0.1751  permil    
-     R(14C) Calcite      	 1.06623e-13	         9.0674  pmc       
+     R(14C) Calcite      	 1.06624e-13	         9.0675  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -46048,12 +46038,12 @@ Calcite                                     3.26e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.261e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1    -2.243e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -6.9944e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5572e-09             0
+Alpha 18O CO3-2/H2O(l)                            1      -1.5e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -46073,14 +46063,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.288      Adjusted to redox equilibrium
+                                       pe  =  11.461      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -46095,14 +46085,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.815  -124.814     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.197  -126.196     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -46110,9 +46100,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -46120,81 +46110,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.972e-40
-   H2              1.986e-40   1.989e-40   -39.702   -39.701     0.001     (0)  
-O(0)          2.103e-13
-   O2              1.048e-13   1.049e-13   -12.980   -12.979     0.001     (0)  
-   O[18O]          4.180e-16   4.187e-16   -15.379   -15.378     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.047   -40.047     0.001     (0)  
+O(0)          1.032e-12
+   O2              5.141e-13   5.150e-13   -12.289   -12.288     0.001     (0)  
+   O[18O]          2.052e-15   2.055e-15   -14.688   -14.687     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.771  -126.770     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.153  -128.152     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.581e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.868e-10   1.309e-10    -9.729    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.796  -137.796     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.178  -139.178     0.001     (0)  
 [14C](4)      6.184e-16
    H[14C]O3-       4.995e-16   4.570e-16   -15.301   -15.340    -0.039     (0)  
    [14C]O2         1.039e-16   1.041e-16   -15.983   -15.983     0.001     (0)  
    CaH[14C]O3+     1.055e-17   9.676e-18   -16.977   -17.014    -0.037     (0)  
-   H[14C]O2[18O]-   9.966e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
-   H[14C]O[18O]O-   9.966e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
-   H[14C][18O]O2-   9.966e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
+   H[14C][18O]O2-   9.967e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
+   H[14C]O[18O]O-   9.967e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
+   H[14C]O2[18O]-   9.967e-19   9.118e-19   -18.001   -18.040    -0.039     (0)  
    Ca[14C]O3       5.783e-19   5.792e-19   -18.238   -18.237     0.001     (0)  
    [14C]O[18O]     4.322e-19   4.329e-19   -18.364   -18.364     0.001     (0)  
    [14C]O3-2       2.966e-19   2.078e-19   -18.528   -18.682    -0.155     (0)  
    CaH[14C]O2[18O]+   2.105e-20   1.931e-20   -19.677   -19.714    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.105e-20   1.931e-20   -19.677   -19.714    -0.037     (0)  
    CaH[14C][18O]O2+   2.105e-20   1.931e-20   -19.677   -19.714    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.105e-20   1.931e-20   -19.677   -19.714    -0.037     (0)  
    Ca[14C]O2[18O]   3.461e-21   3.467e-21   -20.461   -20.460     0.001     (0)  
+   H[14C][18O]O[18O]-   1.989e-21   1.819e-21   -20.701   -20.740    -0.039     (0)  
    H[14C]O[18O]2-   1.989e-21   1.819e-21   -20.701   -20.740    -0.039     (0)  
    H[14C][18O]2O-   1.989e-21   1.819e-21   -20.701   -20.740    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.989e-21   1.819e-21   -20.701   -20.740    -0.039     (0)  
    [14C]O2[18O]-2   1.776e-21   1.244e-21   -20.751   -20.905    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.188e-16
-   O[18O]          4.180e-16   4.187e-16   -15.379   -15.378     0.001     (0)  
-   [18O]2          4.170e-19   4.177e-19   -18.380   -18.379     0.001     (0)  
+[18O](0)      2.056e-15
+   O[18O]          2.052e-15   2.055e-15   -14.688   -14.687     0.001     (0)  
+   [18O]2          2.047e-18   2.050e-18   -17.689   -17.688     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.91   -126.77   -2.86  [13C]H4
+  [13C]H4(g)     -125.29   -128.15   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.88    -21.38   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.94   -137.80   -2.86  [14C]H4
+  [14C]H4(g)     -136.32   -139.18   -2.86  [14C]H4
   [14C]O2(g)      -14.51    -15.98   -1.47  [14C]O2
   [14C]O[18O](g)  -16.90    -18.68   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.09    -18.38   -2.29  [18O]2
+  [18O]2(g)       -15.40    -17.69   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -46208,14 +46198,14 @@ O(0)          2.103e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.95   -124.81   -2.86  CH4
+  CH4(g)         -123.34   -126.20   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.55    -39.70   -3.15  H2
+  H2(g)           -36.90    -40.05   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.09    -12.98   -2.89  O2
-  O[18O](g)       -12.79    -15.68   -2.89  O[18O]
+  O2(g)            -9.40    -12.29   -2.89  O2
+  O[18O](g)       -12.10    -14.99   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -46279,23 +46269,23 @@ Calcite                                     3.31e-02
 
      R(18O)              	 1.99520e-03	        -4.9864  permil    
      R(13C)              	 1.11438e-02	        -3.2539  permil    
-     R(14C)              	 1.04528e-13	         8.8893  pmc       
+     R(14C)              	 1.04529e-13	         8.8894  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9879  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9879  permil    
      R(13C) CO2(aq)      	 1.10641e-02	        -10.387  permil    
-     R(14C) CO2(aq)      	 1.03036e-13	         8.7624  pmc       
+     R(14C) CO2(aq)      	 1.03037e-13	         8.7625  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9879  permil    
      R(13C) HCO3-        	 1.11603e-02	        -1.7777  permil    
-     R(14C) HCO3-        	 1.04837e-13	         8.9156  pmc       
+     R(14C) HCO3-        	 1.04838e-13	         8.9156  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9879  permil    
      R(13C) CO3-2        	 1.11443e-02	        -3.2102  permil    
-     R(14C) CO3-2        	 1.04536e-13	           8.89  pmc       
+     R(14C) CO3-2        	 1.04537e-13	           8.89  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11824e-02	        0.19946  permil    
-     R(14C) Calcite      	 1.05253e-13	         8.9509  pmc       
+     R(14C) Calcite      	 1.05253e-13	          8.951  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -46305,12 +46295,12 @@ Calcite                                     3.31e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.263e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2439e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7794e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.584e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -46330,14 +46320,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.288      Adjusted to redox equilibrium
+                                       pe  =  11.458      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -46352,24 +46342,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.812  -124.811     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.178  -126.177     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -46377,50 +46367,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          3.979e-40
-   H2              1.989e-40   1.993e-40   -39.701   -39.701     0.001     (0)  
-O(0)          2.096e-13
-   O2              1.044e-13   1.046e-13   -12.981   -12.981     0.001     (0)  
-   O[18O]          4.166e-16   4.173e-16   -15.380   -15.380     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.043   -40.042     0.001     (0)  
+O(0)          1.010e-12
+   O2              5.031e-13   5.039e-13   -12.298   -12.298     0.001     (0)  
+   O[18O]          2.007e-15   2.011e-15   -14.697   -14.697     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.768  -126.768     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.134  -128.133     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.249e-05   4.802e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.108e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.085e-08   6.095e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.642e-10   3.648e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.799  -137.798     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.165  -139.164     0.001     (0)  
 [14C](4)      6.104e-16
    H[14C]O3-       4.931e-16   4.511e-16   -15.307   -15.346    -0.039     (0)  
    [14C]O2         1.026e-16   1.028e-16   -15.989   -15.988     0.001     (0)  
    CaH[14C]O3+     1.041e-17   9.552e-18   -16.982   -17.020    -0.037     (0)  
-   H[14C]O2[18O]-   9.838e-19   9.001e-19   -18.007   -18.046    -0.039     (0)  
-   H[14C]O[18O]O-   9.838e-19   9.001e-19   -18.007   -18.046    -0.039     (0)  
    H[14C][18O]O2-   9.838e-19   9.001e-19   -18.007   -18.046    -0.039     (0)  
+   H[14C]O[18O]O-   9.838e-19   9.001e-19   -18.007   -18.046    -0.039     (0)  
+   H[14C]O2[18O]-   9.838e-19   9.001e-19   -18.007   -18.046    -0.039     (0)  
    Ca[14C]O3       5.708e-19   5.718e-19   -18.243   -18.243     0.001     (0)  
    [14C]O[18O]     4.267e-19   4.274e-19   -18.370   -18.369     0.001     (0)  
    [14C]O3-2       2.928e-19   2.051e-19   -18.533   -18.688    -0.155     (0)  
    CaH[14C]O2[18O]+   2.078e-20   1.906e-20   -19.682   -19.720    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.078e-20   1.906e-20   -19.682   -19.720    -0.037     (0)  
    CaH[14C][18O]O2+   2.078e-20   1.906e-20   -19.682   -19.720    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.078e-20   1.906e-20   -19.682   -19.720    -0.037     (0)  
    Ca[14C]O2[18O]   3.417e-21   3.422e-21   -20.466   -20.466     0.001     (0)  
    H[14C]O[18O]2-   1.963e-21   1.796e-21   -20.707   -20.746    -0.039     (0)  
    H[14C][18O]2O-   1.963e-21   1.796e-21   -20.707   -20.746    -0.039     (0)  
@@ -46429,29 +46419,29 @@ O(0)          2.096e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      4.174e-16
-   O[18O]          4.166e-16   4.173e-16   -15.380   -15.380     0.001     (0)  
-   [18O]2          4.156e-19   4.163e-19   -18.381   -18.381     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      2.011e-15
+   O[18O]          2.007e-15   2.011e-15   -14.697   -14.697     0.001     (0)  
+   [18O]2          2.003e-18   2.006e-18   -17.698   -17.698     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.91   -126.77   -2.86  [13C]H4
+  [13C]H4(g)     -125.27   -128.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.88    -21.39   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.94   -137.80   -2.86  [14C]H4
+  [14C]H4(g)     -136.30   -139.16   -2.86  [14C]H4
   [14C]O2(g)      -14.52    -15.99   -1.47  [14C]O2
   [14C]O[18O](g)  -16.90    -18.69   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.09    -18.38   -2.29  [18O]2
+  [18O]2(g)       -15.41    -17.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -46465,14 +46455,14 @@ O(0)          2.096e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.95   -124.81   -2.86  CH4
+  CH4(g)         -123.32   -126.18   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.55    -39.70   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.09    -12.98   -2.89  O2
-  O[18O](g)       -12.79    -15.68   -2.89  O[18O]
+  O2(g)            -9.41    -12.30   -2.89  O2
+  O[18O](g)       -12.11    -15.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -46536,23 +46526,23 @@ Calcite                                     3.36e-02
 
      R(18O)              	 1.99520e-03	        -4.9862  permil    
      R(13C)              	 1.11441e-02	        -3.2302  permil    
-     R(14C)              	 1.03202e-13	         8.7765  pmc       
+     R(14C)              	 1.03202e-13	         8.7766  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9878  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9878  permil    
      R(13C) CO2(aq)      	 1.10643e-02	        -10.364  permil    
-     R(14C) CO2(aq)      	 1.01729e-13	         8.6512  pmc       
+     R(14C) CO2(aq)      	 1.01730e-13	         8.6513  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.886  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9878  permil    
      R(13C) HCO3-        	 1.11606e-02	         -1.754  permil    
-     R(14C) HCO3-        	 1.03507e-13	         8.8024  pmc       
+     R(14C) HCO3-        	 1.03507e-13	         8.8025  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9878  permil    
      R(13C) CO3-2        	 1.11446e-02	        -3.1865  permil    
      R(14C) CO3-2        	 1.03210e-13	         8.7772  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11827e-02	        0.22321  permil    
-     R(14C) Calcite      	 1.03917e-13	         8.8373  pmc       
+     R(14C) Calcite      	 1.03918e-13	         8.8374  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -46562,12 +46552,12 @@ Calcite                                     3.36e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.226e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2723e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5852e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.4578e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -46587,14 +46577,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.278      Adjusted to redox equilibrium
+                                       pe  =  11.458      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -46609,13 +46599,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.733  -124.732     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.174  -126.174     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -46624,9 +46614,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -46634,23 +46624,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.165e-40
-   H2              2.082e-40   2.086e-40   -39.681   -39.681     0.001     (0)  
-O(0)          1.913e-13
-   O2              9.527e-14   9.543e-14   -13.021   -13.020     0.001     (0)  
-   O[18O]          3.802e-16   3.808e-16   -15.420   -15.419     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.042   -40.041     0.001     (0)  
+O(0)          1.006e-12
+   O2              5.010e-13   5.018e-13   -12.300   -12.299     0.001     (0)  
+   O[18O]          1.999e-15   2.003e-15   -14.699   -14.698     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.689  -126.688     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.130  -128.130     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.249e-05   4.803e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
@@ -46659,56 +46649,56 @@ O(0)          1.913e-13
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.725  -137.725     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.167  -139.166     0.001     (0)  
 [14C](4)      6.027e-16
    H[14C]O3-       4.868e-16   4.454e-16   -15.313   -15.351    -0.039     (0)  
    [14C]O2         1.013e-16   1.015e-16   -15.994   -15.994     0.001     (0)  
    CaH[14C]O3+     1.028e-17   9.431e-18   -16.988   -17.025    -0.037     (0)  
-   H[14C]O2[18O]-   9.714e-19   8.887e-19   -18.013   -18.051    -0.039     (0)  
-   H[14C]O[18O]O-   9.714e-19   8.887e-19   -18.013   -18.051    -0.039     (0)  
    H[14C][18O]O2-   9.714e-19   8.887e-19   -18.013   -18.051    -0.039     (0)  
+   H[14C]O[18O]O-   9.714e-19   8.887e-19   -18.013   -18.051    -0.039     (0)  
+   H[14C]O2[18O]-   9.714e-19   8.887e-19   -18.013   -18.051    -0.039     (0)  
    Ca[14C]O3       5.636e-19   5.645e-19   -18.249   -18.248     0.001     (0)  
    [14C]O[18O]     4.212e-19   4.219e-19   -18.375   -18.375     0.001     (0)  
    [14C]O3-2       2.891e-19   2.025e-19   -18.539   -18.693    -0.155     (0)  
    CaH[14C]O2[18O]+   2.051e-20   1.882e-20   -19.688   -19.725    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.051e-20   1.882e-20   -19.688   -19.725    -0.037     (0)  
    CaH[14C][18O]O2+   2.051e-20   1.882e-20   -19.688   -19.725    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.051e-20   1.882e-20   -19.688   -19.725    -0.037     (0)  
    Ca[14C]O2[18O]   3.373e-21   3.379e-21   -20.472   -20.471     0.001     (0)  
-   H[14C]O[18O]2-   1.938e-21   1.773e-21   -20.713   -20.751    -0.039     (0)  
    H[14C][18O]2O-   1.938e-21   1.773e-21   -20.713   -20.751    -0.039     (0)  
    H[14C][18O]O[18O]-   1.938e-21   1.773e-21   -20.713   -20.751    -0.039     (0)  
-   [14C]O2[18O]-2   1.730e-21   1.212e-21   -20.762   -20.916    -0.155     (0)  
+   H[14C]O[18O]2-   1.938e-21   1.773e-21   -20.713   -20.751    -0.039     (0)  
+   [14C]O2[18O]-2   1.731e-21   1.212e-21   -20.762   -20.916    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.809e-16
-   O[18O]          3.802e-16   3.808e-16   -15.420   -15.419     0.001     (0)  
-   [18O]2          3.793e-19   3.799e-19   -18.421   -18.420     0.001     (0)  
+[18O](0)      2.003e-15
+   O[18O]          1.999e-15   2.003e-15   -14.699   -14.698     0.001     (0)  
+   [18O]2          1.994e-18   1.998e-18   -17.700   -17.699     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.83   -126.69   -2.86  [13C]H4
+  [13C]H4(g)     -125.27   -128.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.89    -21.39   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.86   -137.72   -2.86  [14C]H4
+  [14C]H4(g)     -136.31   -139.17   -2.86  [14C]H4
   [14C]O2(g)      -14.52    -15.99   -1.47  [14C]O2
   [14C]O[18O](g)  -16.91    -18.69   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.13    -18.42   -2.29  [18O]2
+  [18O]2(g)       -15.41    -17.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -46722,14 +46712,14 @@ O(0)          1.913e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.87   -124.73   -2.86  CH4
+  CH4(g)         -123.31   -126.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.53    -39.68   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.13    -13.02   -2.89  O2
-  O[18O](g)       -12.83    -15.72   -2.89  O[18O]
+  O2(g)            -9.41    -12.30   -2.89  O2
+  O[18O](g)       -12.11    -15.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -46793,23 +46783,23 @@ Calcite                                     3.41e-02
 
      R(18O)              	 1.99520e-03	        -4.9861  permil    
      R(13C)              	 1.11443e-02	        -3.2072  permil    
-     R(14C)              	 1.01909e-13	         8.6665  pmc       
+     R(14C)              	 1.01909e-13	         8.6666  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9876  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9876  permil    
      R(13C) CO2(aq)      	 1.10646e-02	        -10.341  permil    
-     R(14C) CO2(aq)      	 1.00454e-13	         8.5428  pmc       
+     R(14C) CO2(aq)      	 1.00455e-13	         8.5429  pmc       
      R(18O) CO2(aq)      	 2.07916e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9876  permil    
      R(13C) HCO3-        	 1.11608e-02	        -1.7309  permil    
-     R(14C) HCO3-        	 1.02210e-13	         8.6921  pmc       
+     R(14C) HCO3-        	 1.02210e-13	         8.6922  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9876  permil    
      R(13C) CO3-2        	 1.11448e-02	        -3.1635  permil    
-     R(14C) CO3-2        	 1.01917e-13	         8.6672  pmc       
+     R(14C) CO3-2        	 1.01917e-13	         8.6673  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11830e-02	        0.24636  permil    
-     R(14C) Calcite      	 1.02615e-13	         8.7266  pmc       
+     R(14C) Calcite      	 1.02616e-13	         8.7267  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -46819,12 +46809,12 @@ Calcite                                     3.41e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2482e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2292e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.4329e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.648e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -46844,14 +46834,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.276      Adjusted to redox equilibrium
+                                       pe  =  11.458      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -46866,24 +46856,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.720  -124.719     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.172  -126.171     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -46891,81 +46881,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.196e-40
-   H2              2.098e-40   2.102e-40   -39.678   -39.677     0.001     (0)  
-O(0)          1.884e-13
-   O2              9.385e-14   9.400e-14   -13.028   -13.027     0.001     (0)  
-   O[18O]          3.745e-16   3.751e-16   -15.427   -15.426     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.041   -40.041     0.001     (0)  
+O(0)          1.003e-12
+   O2              4.996e-13   5.005e-13   -12.301   -12.301     0.001     (0)  
+   O[18O]          1.994e-15   1.997e-15   -14.700   -14.700     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.676  -126.675     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.128  -128.127     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.718  -137.717     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.170  -139.169     0.001     (0)  
 [14C](4)      5.951e-16
    H[14C]O3-       4.807e-16   4.398e-16   -15.318   -15.357    -0.039     (0)  
    [14C]O2         1.000e-16   1.002e-16   -16.000   -15.999     0.001     (0)  
    CaH[14C]O3+     1.015e-17   9.313e-18   -16.993   -17.031    -0.037     (0)  
-   H[14C]O2[18O]-   9.592e-19   8.775e-19   -18.018   -18.057    -0.039     (0)  
-   H[14C]O[18O]O-   9.592e-19   8.775e-19   -18.018   -18.057    -0.039     (0)  
    H[14C][18O]O2-   9.592e-19   8.775e-19   -18.018   -18.057    -0.039     (0)  
+   H[14C]O[18O]O-   9.592e-19   8.775e-19   -18.018   -18.057    -0.039     (0)  
+   H[14C]O2[18O]-   9.592e-19   8.775e-19   -18.018   -18.057    -0.039     (0)  
    Ca[14C]O3       5.565e-19   5.574e-19   -18.255   -18.254     0.001     (0)  
    [14C]O[18O]     4.160e-19   4.167e-19   -18.381   -18.380     0.001     (0)  
    [14C]O3-2       2.855e-19   2.000e-19   -18.544   -18.699    -0.155     (0)  
    CaH[14C]O2[18O]+   2.025e-20   1.858e-20   -19.693   -19.731    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.025e-20   1.858e-20   -19.693   -19.731    -0.037     (0)  
    CaH[14C][18O]O2+   2.025e-20   1.858e-20   -19.693   -19.731    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.025e-20   1.858e-20   -19.693   -19.731    -0.037     (0)  
    Ca[14C]O2[18O]   3.331e-21   3.337e-21   -20.477   -20.477     0.001     (0)  
+   H[14C][18O]O[18O]-   1.914e-21   1.751e-21   -20.718   -20.757    -0.039     (0)  
    H[14C]O[18O]2-   1.914e-21   1.751e-21   -20.718   -20.757    -0.039     (0)  
    H[14C][18O]2O-   1.914e-21   1.751e-21   -20.718   -20.757    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.914e-21   1.751e-21   -20.718   -20.757    -0.039     (0)  
    [14C]O2[18O]-2   1.709e-21   1.197e-21   -20.767   -20.922    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.752e-16
-   O[18O]          3.745e-16   3.751e-16   -15.427   -15.426     0.001     (0)  
-   [18O]2          3.736e-19   3.742e-19   -18.428   -18.427     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.998e-15
+   O[18O]          1.994e-15   1.997e-15   -14.700   -14.700     0.001     (0)  
+   [18O]2          1.989e-18   1.992e-18   -17.701   -17.701     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.81   -126.67   -2.86  [13C]H4
+  [13C]H4(g)     -125.27   -128.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.90    -21.40   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.86   -137.72   -2.86  [14C]H4
+  [14C]H4(g)     -136.31   -139.17   -2.86  [14C]H4
   [14C]O2(g)      -14.53    -16.00   -1.47  [14C]O2
   [14C]O[18O](g)  -16.91    -18.70   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.14    -18.43   -2.29  [18O]2
+  [18O]2(g)       -15.41    -17.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -46979,14 +46969,14 @@ O(0)          1.884e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.86   -124.72   -2.86  CH4
+  CH4(g)         -123.31   -126.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.53    -39.68   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.13    -13.03   -2.89  O2
-  O[18O](g)       -12.83    -15.73   -2.89  O[18O]
+  O2(g)            -9.41    -12.30   -2.89  O2
+  O[18O](g)       -12.11    -15.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -47056,17 +47046,17 @@ Calcite                                     3.46e-02
      R(18O) H3O+         	 2.04133e-03	          18.02  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9875  permil    
      R(13C) CO2(aq)      	 1.10648e-02	        -10.318  permil    
-     R(14C) CO2(aq)      	 9.92111e-14	         8.4371  pmc       
+     R(14C) CO2(aq)      	 9.92117e-14	         8.4372  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9875  permil    
      R(13C) HCO3-        	 1.11611e-02	        -1.7083  permil    
      R(14C) HCO3-        	 1.00945e-13	         8.5846  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9875  permil    
      R(13C) CO3-2        	 1.11451e-02	         -3.141  permil    
-     R(14C) CO3-2        	 1.00655e-13	         8.5599  pmc       
+     R(14C) CO3-2        	 1.00656e-13	           8.56  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11832e-02	        0.26894  permil    
-     R(14C) Calcite      	 1.01345e-13	         8.6186  pmc       
+     R(14C) Calcite      	 1.01346e-13	         8.6187  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -47076,12 +47066,12 @@ Calcite                                     3.46e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2657e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2466e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.1102e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.577e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7233e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -47101,14 +47091,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.282      Adjusted to redox equilibrium
+                                       pe  =  11.461      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -47123,14 +47113,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.766  -124.765     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.199  -126.198     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -47138,9 +47128,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -47148,50 +47138,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.086e-40
-   H2              2.043e-40   2.046e-40   -39.690   -39.689     0.001     (0)  
-O(0)          1.988e-13
-   O2              9.901e-14   9.917e-14   -13.004   -13.004     0.001     (0)  
-   O[18O]          3.951e-16   3.957e-16   -15.403   -15.403     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.048   -40.047     0.001     (0)  
+O(0)          1.035e-12
+   O2              5.155e-13   5.163e-13   -12.288   -12.287     0.001     (0)  
+   O[18O]          2.057e-15   2.060e-15   -14.687   -14.686     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.722  -126.721     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.155  -128.154     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.582e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.769  -137.769     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.203  -139.202     0.001     (0)  
 [14C](4)      5.878e-16
    H[14C]O3-       4.748e-16   4.344e-16   -15.323   -15.362    -0.039     (0)  
-   [14C]O2         9.879e-17   9.896e-17   -16.005   -16.005     0.001     (0)  
+   [14C]O2         9.880e-17   9.896e-17   -16.005   -16.005     0.001     (0)  
    CaH[14C]O3+     1.003e-17   9.197e-18   -16.999   -17.036    -0.037     (0)  
-   H[14C]O2[18O]-   9.473e-19   8.667e-19   -18.024   -18.062    -0.039     (0)  
-   H[14C]O[18O]O-   9.473e-19   8.667e-19   -18.024   -18.062    -0.039     (0)  
    H[14C][18O]O2-   9.473e-19   8.667e-19   -18.024   -18.062    -0.039     (0)  
+   H[14C]O[18O]O-   9.473e-19   8.667e-19   -18.024   -18.062    -0.039     (0)  
+   H[14C]O2[18O]-   9.473e-19   8.667e-19   -18.024   -18.062    -0.039     (0)  
    Ca[14C]O3       5.496e-19   5.505e-19   -18.260   -18.259     0.001     (0)  
    [14C]O[18O]     4.108e-19   4.115e-19   -18.386   -18.386     0.001     (0)  
    [14C]O3-2       2.820e-19   1.975e-19   -18.550   -18.704    -0.155     (0)  
    CaH[14C]O2[18O]+   2.000e-20   1.835e-20   -19.699   -19.736    -0.037     (0)  
-   CaH[14C]O[18O]O+   2.000e-20   1.835e-20   -19.699   -19.736    -0.037     (0)  
    CaH[14C][18O]O2+   2.000e-20   1.835e-20   -19.699   -19.736    -0.037     (0)  
+   CaH[14C]O[18O]O+   2.000e-20   1.835e-20   -19.699   -19.736    -0.037     (0)  
    Ca[14C]O2[18O]   3.290e-21   3.295e-21   -20.483   -20.482     0.001     (0)  
    H[14C]O[18O]2-   1.890e-21   1.729e-21   -20.724   -20.762    -0.039     (0)  
    H[14C][18O]2O-   1.890e-21   1.729e-21   -20.724   -20.762    -0.039     (0)  
@@ -47200,29 +47190,29 @@ O(0)          1.988e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.959e-16
-   O[18O]          3.951e-16   3.957e-16   -15.403   -15.403     0.001     (0)  
-   [18O]2          3.941e-19   3.948e-19   -18.404   -18.404     0.001     (0)  
+[18O](0)      2.061e-15
+   O[18O]          2.057e-15   2.060e-15   -14.687   -14.686     0.001     (0)  
+   [18O]2          2.052e-18   2.055e-18   -17.688   -17.687     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.86   -126.72   -2.86  [13C]H4
+  [13C]H4(g)     -125.29   -128.15   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.90    -21.40   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.91   -137.77   -2.86  [14C]H4
+  [14C]H4(g)     -136.34   -139.20   -2.86  [14C]H4
   [14C]O2(g)      -14.54    -16.00   -1.47  [14C]O2
   [14C]O[18O](g)  -16.92    -18.70   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.11    -18.40   -2.29  [18O]2
+  [18O]2(g)       -15.40    -17.69   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -47236,14 +47226,14 @@ O(0)          1.988e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.91   -124.77   -2.86  CH4
+  CH4(g)         -123.34   -126.20   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.54    -39.69   -3.15  H2
+  H2(g)           -36.90    -40.05   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.11    -13.00   -2.89  O2
-  O[18O](g)       -12.81    -15.70   -2.89  O[18O]
+  O2(g)            -9.39    -12.29   -2.89  O2
+  O[18O](g)       -12.09    -14.99   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -47307,23 +47297,23 @@ Calcite                                     3.51e-02
 
      R(18O)              	 1.99520e-03	        -4.9858  permil    
      R(13C)              	 1.11448e-02	        -3.1627  permil    
-     R(14C)              	 9.94173e-14	         8.4547  pmc       
+     R(14C)              	 9.94179e-14	         8.4547  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9873  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04133e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9873  permil    
      R(13C) CO2(aq)      	 1.10651e-02	        -10.297  permil    
-     R(14C) CO2(aq)      	 9.79984e-14	          8.334  pmc       
+     R(14C) CO2(aq)      	 9.79990e-14	          8.334  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9873  permil    
      R(13C) HCO3-        	 1.11613e-02	        -1.6863  permil    
-     R(14C) HCO3-        	 9.97109e-14	         8.4796  pmc       
+     R(14C) HCO3-        	 9.97116e-14	         8.4797  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9873  permil    
      R(13C) CO3-2        	 1.11453e-02	         -3.119  permil    
-     R(14C) CO3-2        	 9.94249e-14	         8.4553  pmc       
+     R(14C) CO3-2        	 9.94256e-14	         8.4554  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11835e-02	        0.29097  permil    
-     R(14C) Calcite      	 1.00106e-13	         8.5133  pmc       
+     R(14C) Calcite      	 1.00107e-13	         8.5133  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -47333,12 +47323,12 @@ Calcite                                     3.51e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2469e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2934e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.798e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6028e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -47358,14 +47348,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.265      Adjusted to redox equilibrium
+                                       pe  =  11.457      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -47380,24 +47370,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.632  -124.632     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.169  -126.168     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -47405,23 +47395,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.412e-40
-   H2              2.206e-40   2.210e-40   -39.656   -39.656     0.001     (0)  
-O(0)          1.704e-13
-   O2              8.488e-14   8.502e-14   -13.071   -13.070     0.001     (0)  
-   O[18O]          3.387e-16   3.393e-16   -15.470   -15.469     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.040   -40.040     0.001     (0)  
+O(0)          9.995e-13
+   O2              4.978e-13   4.986e-13   -12.303   -12.302     0.001     (0)  
+   O[18O]          1.986e-15   1.990e-15   -14.702   -14.701     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.588  -126.588     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.125  -128.124     0.001     (0)  
 [13C](4)      6.508e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.319    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.589e-08    -7.339    -7.338     0.001     (0)  
@@ -47430,56 +47420,56 @@ O(0)          1.704e-13
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.641  -137.640     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.178  -139.177     0.001     (0)  
 [14C](4)      5.806e-16
    H[14C]O3-       4.690e-16   4.291e-16   -15.329   -15.367    -0.039     (0)  
    [14C]O2         9.759e-17   9.775e-17   -16.011   -16.010     0.001     (0)  
    CaH[14C]O3+     9.904e-18   9.085e-18   -17.004   -17.042    -0.037     (0)  
-   H[14C]O2[18O]-   9.357e-19   8.561e-19   -18.029   -18.067    -0.039     (0)  
-   H[14C]O[18O]O-   9.357e-19   8.561e-19   -18.029   -18.067    -0.039     (0)  
    H[14C][18O]O2-   9.357e-19   8.561e-19   -18.029   -18.067    -0.039     (0)  
+   H[14C]O[18O]O-   9.357e-19   8.561e-19   -18.029   -18.067    -0.039     (0)  
+   H[14C]O2[18O]-   9.357e-19   8.561e-19   -18.029   -18.067    -0.039     (0)  
    Ca[14C]O3       5.429e-19   5.438e-19   -18.265   -18.265     0.001     (0)  
    [14C]O[18O]     4.058e-19   4.065e-19   -18.392   -18.391     0.001     (0)  
    [14C]O3-2       2.785e-19   1.951e-19   -18.555   -18.710    -0.155     (0)  
    CaH[14C]O2[18O]+   1.976e-20   1.813e-20   -19.704   -19.742    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.976e-20   1.813e-20   -19.704   -19.742    -0.037     (0)  
    CaH[14C][18O]O2+   1.976e-20   1.813e-20   -19.704   -19.742    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.976e-20   1.813e-20   -19.704   -19.742    -0.037     (0)  
    Ca[14C]O2[18O]   3.250e-21   3.255e-21   -20.488   -20.487     0.001     (0)  
-   H[14C]O[18O]2-   1.867e-21   1.708e-21   -20.729   -20.768    -0.039     (0)  
    H[14C][18O]2O-   1.867e-21   1.708e-21   -20.729   -20.768    -0.039     (0)  
    H[14C][18O]O[18O]-   1.867e-21   1.708e-21   -20.729   -20.768    -0.039     (0)  
+   H[14C]O[18O]2-   1.867e-21   1.708e-21   -20.729   -20.768    -0.039     (0)  
    [14C]O2[18O]-2   1.667e-21   1.168e-21   -20.778   -20.933    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.394e-16
-   O[18O]          3.387e-16   3.393e-16   -15.470   -15.469     0.001     (0)  
-   [18O]2          3.379e-19   3.384e-19   -18.471   -18.471     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.990e-15
+   O[18O]          1.986e-15   1.990e-15   -14.702   -14.701     0.001     (0)  
+   [18O]2          1.981e-18   1.985e-18   -17.703   -17.702     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.73   -126.59   -2.86  [13C]H4
+  [13C]H4(g)     -125.26   -128.12   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.91    -21.41   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.78   -137.64   -2.86  [14C]H4
+  [14C]H4(g)     -136.32   -139.18   -2.86  [14C]H4
   [14C]O2(g)      -14.54    -16.01   -1.47  [14C]O2
   [14C]O[18O](g)  -16.92    -18.71   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.18    -18.47   -2.29  [18O]2
+  [18O]2(g)       -15.41    -17.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -47493,14 +47483,14 @@ O(0)          1.704e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.77   -124.63   -2.86  CH4
+  CH4(g)         -123.31   -126.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.51    -39.66   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.18    -13.07   -2.89  O2
-  O[18O](g)       -12.88    -15.77   -2.89  O[18O]
+  O2(g)            -9.41    -12.30   -2.89  O2
+  O[18O](g)       -12.11    -15.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -47564,23 +47554,23 @@ Calcite                                     3.56e-02
 
      R(18O)              	 1.99520e-03	        -4.9857  permil    
      R(13C)              	 1.11451e-02	        -3.1413  permil    
-     R(14C)              	 9.82167e-14	         8.3526  pmc       
+     R(14C)              	 9.82173e-14	         8.3526  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9872  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9872  permil    
      R(13C) CO2(aq)      	 1.10653e-02	        -10.275  permil    
-     R(14C) CO2(aq)      	 9.68149e-14	         8.2333  pmc       
+     R(14C) CO2(aq)      	 9.68155e-14	         8.2334  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9872  permil    
      R(13C) HCO3-        	 1.11616e-02	        -1.6649  permil    
-     R(14C) HCO3-        	 9.85068e-14	         8.3772  pmc       
+     R(14C) HCO3-        	 9.85074e-14	         8.3773  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9872  permil    
      R(13C) CO3-2        	 1.11456e-02	        -3.0976  permil    
-     R(14C) CO3-2        	 9.82243e-14	         8.3532  pmc       
+     R(14C) CO3-2        	 9.82249e-14	         8.3533  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11837e-02	        0.31246  permil    
-     R(14C) Calcite      	 9.88974e-14	         8.4104  pmc       
+     R(14C) Calcite      	 9.88980e-14	         8.4105  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -47590,12 +47580,12 @@ Calcite                                     3.56e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2893e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2716e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1    -1.803e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.8134e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -47615,14 +47605,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.262      Adjusted to redox equilibrium
+                                       pe  =  11.455      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -47637,14 +47627,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.605  -124.604     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.152  -126.151     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -47652,9 +47642,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -47662,81 +47652,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.483e-40
-   H2              2.242e-40   2.245e-40   -39.649   -39.649     0.001     (0)  
-O(0)          1.651e-13
-   O2              8.222e-14   8.235e-14   -13.085   -13.084     0.001     (0)  
-   O[18O]          3.281e-16   3.286e-16   -15.484   -15.483     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.036   -40.035     0.001     (0)  
+O(0)          9.800e-13
+   O2              4.881e-13   4.889e-13   -12.312   -12.311     0.001     (0)  
+   O[18O]          1.948e-15   1.951e-15   -14.711   -14.710     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.561  -126.560     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.108  -128.107     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.019    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.619  -137.618     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.166  -139.165     0.001     (0)  
 [14C](4)      5.736e-16
    H[14C]O3-       4.633e-16   4.239e-16   -15.334   -15.373    -0.039     (0)  
    [14C]O2         9.641e-17   9.657e-17   -16.016   -16.015     0.001     (0)  
    CaH[14C]O3+     9.784e-18   8.975e-18   -17.009   -17.047    -0.037     (0)  
-   H[14C]O2[18O]-   9.244e-19   8.457e-19   -18.034   -18.073    -0.039     (0)  
-   H[14C]O[18O]O-   9.244e-19   8.457e-19   -18.034   -18.073    -0.039     (0)  
    H[14C][18O]O2-   9.244e-19   8.457e-19   -18.034   -18.073    -0.039     (0)  
+   H[14C]O[18O]O-   9.244e-19   8.457e-19   -18.034   -18.073    -0.039     (0)  
+   H[14C]O2[18O]-   9.244e-19   8.457e-19   -18.034   -18.073    -0.039     (0)  
    Ca[14C]O3       5.364e-19   5.372e-19   -18.271   -18.270     0.001     (0)  
    [14C]O[18O]     4.009e-19   4.016e-19   -18.397   -18.396     0.001     (0)  
    [14C]O3-2       2.751e-19   1.928e-19   -18.560   -18.715    -0.155     (0)  
    CaH[14C]O2[18O]+   1.952e-20   1.791e-20   -19.709   -19.747    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.952e-20   1.791e-20   -19.709   -19.747    -0.037     (0)  
    CaH[14C][18O]O2+   1.952e-20   1.791e-20   -19.709   -19.747    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.952e-20   1.791e-20   -19.709   -19.747    -0.037     (0)  
    Ca[14C]O2[18O]   3.210e-21   3.216e-21   -20.493   -20.493     0.001     (0)  
+   H[14C][18O]O[18O]-   1.844e-21   1.687e-21   -20.734   -20.773    -0.039     (0)  
    H[14C]O[18O]2-   1.844e-21   1.687e-21   -20.734   -20.773    -0.039     (0)  
    H[14C][18O]2O-   1.844e-21   1.687e-21   -20.734   -20.773    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.844e-21   1.687e-21   -20.734   -20.773    -0.039     (0)  
    [14C]O2[18O]-2   1.647e-21   1.154e-21   -20.783   -20.938    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.287e-16
-   O[18O]          3.281e-16   3.286e-16   -15.484   -15.483     0.001     (0)  
-   [18O]2          3.273e-19   3.278e-19   -18.485   -18.484     0.001     (0)  
+[18O](0)      1.951e-15
+   O[18O]          1.948e-15   1.951e-15   -14.711   -14.710     0.001     (0)  
+   [18O]2          1.943e-18   1.946e-18   -17.712   -17.711     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.70   -126.56   -2.86  [13C]H4
+  [13C]H4(g)     -125.25   -128.11   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.91    -21.42   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.76   -137.62   -2.86  [14C]H4
+  [14C]H4(g)     -136.31   -139.17   -2.86  [14C]H4
   [14C]O2(g)      -14.55    -16.02   -1.47  [14C]O2
   [14C]O[18O](g)  -16.93    -18.72   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -47750,14 +47740,14 @@ O(0)          1.651e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.74   -124.60   -2.86  CH4
+  CH4(g)         -123.29   -126.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.50    -39.65   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.19    -13.08   -2.89  O2
-  O[18O](g)       -12.89    -15.78   -2.89  O[18O]
+  O2(g)            -9.42    -12.31   -2.89  O2
+  O[18O](g)       -12.12    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -47821,23 +47811,23 @@ Calcite                                     3.61e-02
 
      R(18O)              	 1.99520e-03	        -4.9856  permil    
      R(13C)              	 1.11453e-02	        -3.1204  permil    
-     R(14C)              	 9.70448e-14	         8.2529  pmc       
+     R(14C)              	 9.70454e-14	         8.2529  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9871  permil    
      R(18O) OH-          	 1.92123e-03	        -41.875  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9871  permil    
      R(13C) CO2(aq)      	 1.10656e-02	        -10.255  permil    
-     R(14C) CO2(aq)      	 9.56597e-14	         8.1351  pmc       
+     R(14C) CO2(aq)      	 9.56603e-14	         8.1352  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9871  permil    
      R(13C) HCO3-        	 1.11618e-02	         -1.644  permil    
-     R(14C) HCO3-        	 9.73314e-14	         8.2773  pmc       
+     R(14C) HCO3-        	 9.73320e-14	         8.2773  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9871  permil    
      R(13C) CO3-2        	 1.11458e-02	        -3.0767  permil    
-     R(14C) CO3-2        	 9.70523e-14	         8.2535  pmc       
+     R(14C) CO3-2        	 9.70529e-14	         8.2536  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.659  permil    
      R(13C) Calcite      	 1.11839e-02	        0.33345  permil    
-     R(14C) Calcite      	 9.77174e-14	         8.3101  pmc       
+     R(14C) Calcite      	 9.77180e-14	         8.3101  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -47847,12 +47837,12 @@ Calcite                                     3.61e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2639e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2795e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.6613e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5761e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7241e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -47872,14 +47862,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.267      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -47894,24 +47884,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.651  -124.650     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.141  -126.140     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -47919,50 +47909,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.366e-40
-   H2              2.183e-40   2.187e-40   -39.661   -39.660     0.001     (0)  
-O(0)          1.740e-13
-   O2              8.668e-14   8.682e-14   -13.062   -13.061     0.001     (0)  
-   O[18O]          3.459e-16   3.464e-16   -15.461   -15.460     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.033   -40.033     0.001     (0)  
+O(0)          9.677e-13
+   O2              4.819e-13   4.827e-13   -12.317   -12.316     0.001     (0)  
+   O[18O]          1.923e-15   1.926e-15   -14.716   -14.715     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.607  -126.606     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.097  -128.096     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.670  -137.669     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.160  -139.159     0.001     (0)  
 [14C](4)      5.667e-16
    H[14C]O3-       4.578e-16   4.188e-16   -15.339   -15.378    -0.039     (0)  
-   [14C]O2         9.526e-17   9.541e-17   -16.021   -16.020     0.001     (0)  
+   [14C]O2         9.526e-17   9.542e-17   -16.021   -16.020     0.001     (0)  
    CaH[14C]O3+     9.667e-18   8.868e-18   -17.015   -17.052    -0.037     (0)  
-   H[14C]O2[18O]-   9.134e-19   8.356e-19   -18.039   -18.078    -0.039     (0)  
-   H[14C]O[18O]O-   9.134e-19   8.356e-19   -18.039   -18.078    -0.039     (0)  
    H[14C][18O]O2-   9.134e-19   8.356e-19   -18.039   -18.078    -0.039     (0)  
+   H[14C]O[18O]O-   9.134e-19   8.356e-19   -18.039   -18.078    -0.039     (0)  
+   H[14C]O2[18O]-   9.134e-19   8.356e-19   -18.039   -18.078    -0.039     (0)  
    Ca[14C]O3       5.300e-19   5.308e-19   -18.276   -18.275     0.001     (0)  
    [14C]O[18O]     3.961e-19   3.968e-19   -18.402   -18.401     0.001     (0)  
    [14C]O3-2       2.719e-19   1.905e-19   -18.566   -18.720    -0.155     (0)  
    CaH[14C]O2[18O]+   1.929e-20   1.769e-20   -19.715   -19.752    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.929e-20   1.769e-20   -19.715   -19.752    -0.037     (0)  
    CaH[14C][18O]O2+   1.929e-20   1.769e-20   -19.715   -19.752    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.929e-20   1.769e-20   -19.715   -19.752    -0.037     (0)  
    Ca[14C]O2[18O]   3.172e-21   3.177e-21   -20.499   -20.498     0.001     (0)  
    H[14C]O[18O]2-   1.822e-21   1.667e-21   -20.739   -20.778    -0.039     (0)  
    H[14C][18O]2O-   1.822e-21   1.667e-21   -20.739   -20.778    -0.039     (0)  
@@ -47971,29 +47961,29 @@ O(0)          1.740e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.466e-16
-   O[18O]          3.459e-16   3.464e-16   -15.461   -15.460     0.001     (0)  
-   [18O]2          3.450e-19   3.456e-19   -18.462   -18.461     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.927e-15
+   O[18O]          1.923e-15   1.926e-15   -14.716   -14.715     0.001     (0)  
+   [18O]2          1.918e-18   1.922e-18   -17.717   -17.716     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.75   -126.61   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.92    -21.42   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.81   -137.67   -2.86  [14C]H4
+  [14C]H4(g)     -136.30   -139.16   -2.86  [14C]H4
   [14C]O2(g)      -14.55    -16.02   -1.47  [14C]O2
   [14C]O[18O](g)  -16.93    -18.72   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.17    -18.46   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -48007,14 +47997,14 @@ O(0)          1.740e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.79   -124.65   -2.86  CH4
+  CH4(g)         -123.28   -126.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.51    -39.66   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.17    -13.06   -2.89  O2
-  O[18O](g)       -12.87    -15.76   -2.89  O[18O]
+  O2(g)            -9.42    -12.32   -2.89  O2
+  O[18O](g)       -12.12    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -48078,23 +48068,23 @@ Calcite                                     3.66e-02
 
      R(18O)              	 1.99520e-03	        -4.9854  permil    
      R(13C)              	 1.11455e-02	           -3.1  permil    
-     R(14C)              	 9.59005e-14	         8.1556  pmc       
+     R(14C)              	 9.59011e-14	         8.1556  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9869  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9869  permil    
      R(13C) CO2(aq)      	 1.10658e-02	        -10.234  permil    
-     R(14C) CO2(aq)      	 9.45318e-14	         8.0392  pmc       
+     R(14C) CO2(aq)      	 9.45324e-14	         8.0392  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9869  permil    
      R(13C) HCO3-        	 1.11620e-02	        -1.6235  permil    
-     R(14C) HCO3-        	 9.61838e-14	         8.1797  pmc       
+     R(14C) HCO3-        	 9.61844e-14	         8.1797  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9869  permil    
      R(13C) CO3-2        	 1.11460e-02	        -3.0563  permil    
-     R(14C) CO3-2        	 9.59079e-14	         8.1562  pmc       
+     R(14C) CO3-2        	 9.59085e-14	         8.1563  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11842e-02	        0.35394  permil    
-     R(14C) Calcite      	 9.65651e-14	         8.2121  pmc       
+     R(14C) Calcite      	 9.65658e-14	         8.2122  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -48104,12 +48094,12 @@ Calcite                                     3.66e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2373e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2523e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.3283e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7204e-09             0
+Alpha 18O CO3-2/H2O(l)                            1      -1.8e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -48123,20 +48113,20 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 	C                 5.840e-03   5.823e-03
 	Ca                2.451e-03   2.444e-03
 	[13C]             6.509e-05   6.490e-05
-	[14C]             5.600e-16   5.584e-16
+	[14C]             5.601e-16   5.584e-16
 	[18O]             1.109e-01   1.106e-01
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.237      Adjusted to redox equilibrium
+                                       pe  =  11.451      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -48151,13 +48141,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.405  -124.404     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.121  -126.120     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -48166,9 +48156,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -48176,23 +48166,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.029e-40
-   H2              2.515e-40   2.519e-40   -39.600   -39.599     0.001     (0)  
-O(0)          1.312e-13
-   O2              6.534e-14   6.544e-14   -13.185   -13.184     0.001     (0)  
-   O[18O]          2.607e-16   2.612e-16   -15.584   -15.583     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.029   -40.028     0.001     (0)  
+O(0)          9.460e-13
+   O2              4.711e-13   4.719e-13   -12.327   -12.326     0.001     (0)  
+   O[18O]          1.880e-15   1.883e-15   -14.726   -14.725     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.361  -126.360     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.077  -128.076     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.047e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
@@ -48201,56 +48191,56 @@ O(0)          1.312e-13
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.719    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.429  -137.429     0.001     (0)  
-[14C](4)      5.600e-16
+   [14C]H4         0.000e+00   0.000e+00  -139.145  -139.145     0.001     (0)  
+[14C](4)      5.601e-16
    H[14C]O3-       4.524e-16   4.139e-16   -15.344   -15.383    -0.039     (0)  
    [14C]O2         9.414e-17   9.429e-17   -16.026   -16.026     0.001     (0)  
-   CaH[14C]O3+     9.553e-18   8.763e-18   -17.020   -17.057    -0.037     (0)  
-   H[14C]O2[18O]-   9.026e-19   8.258e-19   -18.044   -18.083    -0.039     (0)  
-   H[14C]O[18O]O-   9.026e-19   8.258e-19   -18.044   -18.083    -0.039     (0)  
+   CaH[14C]O3+     9.553e-18   8.764e-18   -17.020   -17.057    -0.037     (0)  
    H[14C][18O]O2-   9.026e-19   8.258e-19   -18.044   -18.083    -0.039     (0)  
+   H[14C]O[18O]O-   9.026e-19   8.258e-19   -18.044   -18.083    -0.039     (0)  
+   H[14C]O2[18O]-   9.026e-19   8.258e-19   -18.044   -18.083    -0.039     (0)  
    Ca[14C]O3       5.237e-19   5.246e-19   -18.281   -18.280     0.001     (0)  
    [14C]O[18O]     3.914e-19   3.921e-19   -18.407   -18.407     0.001     (0)  
    [14C]O3-2       2.687e-19   1.882e-19   -18.571   -18.725    -0.155     (0)  
-   CaH[14C]O2[18O]+   1.906e-20   1.748e-20   -19.720   -19.757    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.906e-20   1.748e-20   -19.720   -19.757    -0.037     (0)  
-   CaH[14C][18O]O2+   1.906e-20   1.748e-20   -19.720   -19.757    -0.037     (0)  
+   CaH[14C]O2[18O]+   1.906e-20   1.749e-20   -19.720   -19.757    -0.037     (0)  
+   CaH[14C][18O]O2+   1.906e-20   1.749e-20   -19.720   -19.757    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.906e-20   1.749e-20   -19.720   -19.757    -0.037     (0)  
    Ca[14C]O2[18O]   3.135e-21   3.140e-21   -20.504   -20.503     0.001     (0)  
-   H[14C]O[18O]2-   1.801e-21   1.648e-21   -20.745   -20.783    -0.039     (0)  
    H[14C][18O]2O-   1.801e-21   1.648e-21   -20.745   -20.783    -0.039     (0)  
    H[14C][18O]O[18O]-   1.801e-21   1.648e-21   -20.745   -20.783    -0.039     (0)  
+   H[14C]O[18O]2-   1.801e-21   1.648e-21   -20.745   -20.783    -0.039     (0)  
    [14C]O2[18O]-2   1.608e-21   1.127e-21   -20.794   -20.948    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.612e-16
-   O[18O]          2.607e-16   2.612e-16   -15.584   -15.583     0.001     (0)  
-   [18O]2          2.601e-19   2.605e-19   -18.585   -18.584     0.001     (0)  
+[18O](0)      1.884e-15
+   O[18O]          1.880e-15   1.883e-15   -14.726   -14.725     0.001     (0)  
+   [18O]2          1.875e-18   1.879e-18   -17.727   -17.726     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.50   -126.36   -2.86  [13C]H4
+  [13C]H4(g)     -125.22   -128.08   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.92    -21.43   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.57   -137.43   -2.86  [14C]H4
+  [14C]H4(g)     -136.28   -139.14   -2.86  [14C]H4
   [14C]O2(g)      -14.56    -16.03   -1.47  [14C]O2
   [14C]O[18O](g)  -16.94    -18.73   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.29    -18.58   -2.29  [18O]2
+  [18O]2(g)       -15.44    -17.73   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -48264,14 +48254,14 @@ O(0)          1.312e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.54   -124.40   -2.86  CH4
+  CH4(g)         -123.26   -126.12   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.45    -39.60   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.29    -13.18   -2.89  O2
-  O[18O](g)       -12.99    -15.88   -2.89  O[18O]
+  O2(g)            -9.43    -12.33   -2.89  O2
+  O[18O](g)       -12.13    -15.03   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -48327,7 +48317,7 @@ Calcite                                     3.71e-02
                            Ca[14C]O3(s)     3.48e-15     6.47e-18     9.38e-14
                       Ca[14C]O2[18O](s)     2.14e-17     3.98e-20     5.78e-16
                       Ca[14C]O[18O]2(s)     4.39e-20     8.18e-23     1.19e-18
-                       Ca[14C][18O]3(s)     3.01e-23     5.59e-26     8.11e-22
+                       Ca[14C][18O]3(s)     3.01e-23     5.60e-26     8.11e-22
 
 --------------------------------Isotope Ratios---------------------------------
 
@@ -48335,23 +48325,23 @@ Calcite                                     3.71e-02
 
      R(18O)              	 1.99520e-03	        -4.9853  permil    
      R(13C)              	 1.11458e-02	          -3.08  permil    
-     R(14C)              	 9.47829e-14	         8.0605  pmc       
+     R(14C)              	 9.47835e-14	         8.0606  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9868  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9868  permil    
      R(13C) CO2(aq)      	 1.10660e-02	        -10.215  permil    
-     R(14C) CO2(aq)      	 9.34301e-14	         7.9455  pmc       
+     R(14C) CO2(aq)      	 9.34307e-14	         7.9455  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.887  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9868  permil    
      R(13C) HCO3-        	 1.11623e-02	        -1.6035  permil    
-     R(14C) HCO3-        	 9.50628e-14	         8.0843  pmc       
+     R(14C) HCO3-        	 9.50635e-14	         8.0844  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9868  permil    
      R(13C) CO3-2        	 1.11463e-02	        -3.0363  permil    
-     R(14C) CO3-2        	 9.47902e-14	         8.0612  pmc       
+     R(14C) CO3-2        	 9.47908e-14	         8.0612  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11844e-02	        0.37395  permil    
-     R(14C) Calcite      	 9.54398e-14	         8.1164  pmc       
+     R(14C) Calcite      	 9.54404e-14	         8.1165  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -48361,12 +48351,12 @@ Calcite                                     3.71e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2734e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2558e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7387e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7508e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -48386,14 +48376,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.233      Adjusted to redox equilibrium
+                                       pe  =  11.451      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -48408,24 +48398,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.378  -124.377     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.117  -126.117     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -48433,81 +48423,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.109e-40
-   H2              2.555e-40   2.559e-40   -39.593   -39.592     0.001     (0)  
-O(0)          1.271e-13
-   O2              6.331e-14   6.341e-14   -13.199   -13.198     0.001     (0)  
-   O[18O]          2.526e-16   2.530e-16   -15.598   -15.597     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.028   -40.027     0.001     (0)  
+O(0)          9.420e-13
+   O2              4.691e-13   4.699e-13   -12.329   -12.328     0.001     (0)  
+   O[18O]          1.872e-15   1.875e-15   -14.728   -14.727     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.334  -126.333     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.073  -128.073     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.583e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.086e-08   6.096e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.407  -137.406     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.147  -139.146     0.001     (0)  
 [14C](4)      5.535e-16
    H[14C]O3-       4.471e-16   4.091e-16   -15.350   -15.388    -0.039     (0)  
    [14C]O2         9.304e-17   9.319e-17   -16.031   -16.031     0.001     (0)  
    CaH[14C]O3+     9.442e-18   8.661e-18   -17.025   -17.062    -0.037     (0)  
-   H[14C]O2[18O]-   8.921e-19   8.162e-19   -18.050   -18.088    -0.039     (0)  
-   H[14C]O[18O]O-   8.921e-19   8.162e-19   -18.050   -18.088    -0.039     (0)  
    H[14C][18O]O2-   8.921e-19   8.162e-19   -18.050   -18.088    -0.039     (0)  
+   H[14C]O[18O]O-   8.921e-19   8.162e-19   -18.050   -18.088    -0.039     (0)  
+   H[14C]O2[18O]-   8.921e-19   8.162e-19   -18.050   -18.088    -0.039     (0)  
    Ca[14C]O3       5.176e-19   5.185e-19   -18.286   -18.285     0.001     (0)  
    [14C]O[18O]     3.869e-19   3.875e-19   -18.412   -18.412     0.001     (0)  
    [14C]O3-2       2.655e-19   1.860e-19   -18.576   -18.730    -0.155     (0)  
    CaH[14C]O2[18O]+   1.884e-20   1.728e-20   -19.725   -19.762    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.884e-20   1.728e-20   -19.725   -19.762    -0.037     (0)  
    CaH[14C][18O]O2+   1.884e-20   1.728e-20   -19.725   -19.762    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.884e-20   1.728e-20   -19.725   -19.762    -0.037     (0)  
    Ca[14C]O2[18O]   3.098e-21   3.103e-21   -20.509   -20.508     0.001     (0)  
+   H[14C][18O]O[18O]-   1.780e-21   1.628e-21   -20.750   -20.788    -0.039     (0)  
    H[14C]O[18O]2-   1.780e-21   1.628e-21   -20.750   -20.788    -0.039     (0)  
    H[14C][18O]2O-   1.780e-21   1.628e-21   -20.750   -20.788    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.780e-21   1.628e-21   -20.750   -20.788    -0.039     (0)  
    [14C]O2[18O]-2   1.589e-21   1.113e-21   -20.799   -20.953    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.531e-16
-   O[18O]          2.526e-16   2.530e-16   -15.598   -15.597     0.001     (0)  
-   [18O]2          2.520e-19   2.524e-19   -18.599   -18.598     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.876e-15
+   O[18O]          1.872e-15   1.875e-15   -14.728   -14.727     0.001     (0)  
+   [18O]2          1.867e-18   1.871e-18   -17.729   -17.728     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.47   -126.33   -2.86  [13C]H4
+  [13C]H4(g)     -125.21   -128.07   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.93    -21.43   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.55   -137.41   -2.86  [14C]H4
+  [14C]H4(g)     -136.29   -139.15   -2.86  [14C]H4
   [14C]O2(g)      -14.56    -16.03   -1.47  [14C]O2
   [14C]O[18O](g)  -16.94    -18.73   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.31    -18.60   -2.29  [18O]2
+  [18O]2(g)       -15.44    -17.73   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -48521,14 +48511,14 @@ O(0)          1.271e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.52   -124.38   -2.86  CH4
+  CH4(g)         -123.26   -126.12   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.44    -39.59   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.31    -13.20   -2.89  O2
-  O[18O](g)       -13.01    -15.90   -2.89  O[18O]
+  O2(g)            -9.44    -12.33   -2.89  O2
+  O[18O](g)       -12.14    -15.03   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -48592,23 +48582,23 @@ Calcite                                     3.76e-02
 
      R(18O)              	 1.99520e-03	        -4.9851  permil    
      R(13C)              	 1.11460e-02	        -3.0605  permil    
-     R(14C)              	 9.36910e-14	         7.9677  pmc       
+     R(14C)              	 9.36916e-14	         7.9677  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9867  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9867  permil    
      R(13C) CO2(aq)      	 1.10662e-02	        -10.195  permil    
-     R(14C) CO2(aq)      	 9.23538e-14	          7.854  pmc       
+     R(14C) CO2(aq)      	 9.23544e-14	          7.854  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9867  permil    
      R(13C) HCO3-        	 1.11625e-02	         -1.584  permil    
-     R(14C) HCO3-        	 9.39678e-14	         7.9912  pmc       
+     R(14C) HCO3-        	 9.39684e-14	         7.9913  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9867  permil    
      R(13C) CO3-2        	 1.11465e-02	        -3.0168  permil    
-     R(14C) CO3-2        	 9.36982e-14	         7.9683  pmc       
+     R(14C) CO3-2        	 9.36988e-14	         7.9683  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11846e-02	         0.3935  permil    
-     R(14C) Calcite      	 9.43404e-14	         8.0229  pmc       
+     R(14C) Calcite      	 9.43410e-14	          8.023  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -48618,12 +48608,12 @@ Calcite                                     3.76e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2782e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2278e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.9976e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -5.8842e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6941e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7045e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -48637,20 +48627,20 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 	C                 5.840e-03   5.823e-03
 	Ca                2.451e-03   2.444e-03
 	[13C]             6.509e-05   6.490e-05
-	[14C]             5.471e-16   5.455e-16
+	[14C]             5.471e-16   5.456e-16
 	[18O]             1.109e-01   1.106e-01
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.195      Adjusted to redox equilibrium
+                                       pe  =  11.448      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -48665,14 +48655,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.071  -124.071     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.095  -126.094     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.704e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -48680,9 +48670,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -48690,50 +48680,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.094e-40
-   H2              3.047e-40   3.052e-40   -39.516   -39.515     0.001     (0)  
-O(0)          8.935e-14
-   O2              4.450e-14   4.457e-14   -13.352   -13.351     0.001     (0)  
-   O[18O]          1.776e-16   1.779e-16   -15.751   -15.750     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.022   -40.021     0.001     (0)  
+O(0)          9.183e-13
+   O2              4.573e-13   4.581e-13   -12.340   -12.339     0.001     (0)  
+   O[18O]          1.825e-15   1.828e-15   -14.739   -14.738     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.027  -126.027     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.051  -128.050     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.106  -137.105     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.130  -139.129     0.001     (0)  
 [14C](4)      5.471e-16
    H[14C]O3-       4.420e-16   4.044e-16   -15.355   -15.393    -0.039     (0)  
    [14C]O2         9.197e-17   9.212e-17   -16.036   -16.036     0.001     (0)  
    CaH[14C]O3+     9.333e-18   8.562e-18   -17.030   -17.067    -0.037     (0)  
-   H[14C]O2[18O]-   8.818e-19   8.068e-19   -18.055   -18.093    -0.039     (0)  
-   H[14C]O[18O]O-   8.818e-19   8.068e-19   -18.055   -18.093    -0.039     (0)  
    H[14C][18O]O2-   8.818e-19   8.068e-19   -18.055   -18.093    -0.039     (0)  
+   H[14C]O[18O]O-   8.818e-19   8.068e-19   -18.055   -18.093    -0.039     (0)  
+   H[14C]O2[18O]-   8.818e-19   8.068e-19   -18.055   -18.093    -0.039     (0)  
    Ca[14C]O3       5.116e-19   5.125e-19   -18.291   -18.290     0.001     (0)  
    [14C]O[18O]     3.824e-19   3.831e-19   -18.417   -18.417     0.001     (0)  
    [14C]O3-2       2.625e-19   1.839e-19   -18.581   -18.735    -0.155     (0)  
    CaH[14C]O2[18O]+   1.862e-20   1.708e-20   -19.730   -19.767    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.862e-20   1.708e-20   -19.730   -19.767    -0.037     (0)  
    CaH[14C][18O]O2+   1.862e-20   1.708e-20   -19.730   -19.767    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.862e-20   1.708e-20   -19.730   -19.767    -0.037     (0)  
    Ca[14C]O2[18O]   3.063e-21   3.068e-21   -20.514   -20.513     0.001     (0)  
    H[14C]O[18O]2-   1.759e-21   1.610e-21   -20.755   -20.793    -0.039     (0)  
    H[14C][18O]2O-   1.759e-21   1.610e-21   -20.755   -20.793    -0.039     (0)  
@@ -48742,29 +48732,29 @@ O(0)          8.935e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.779e-16
-   O[18O]          1.776e-16   1.779e-16   -15.751   -15.750     0.001     (0)  
-   [18O]2          1.771e-19   1.774e-19   -18.752   -18.751     0.001     (0)  
+[18O](0)      1.829e-15
+   O[18O]          1.825e-15   1.828e-15   -14.739   -14.738     0.001     (0)  
+   [18O]2          1.821e-18   1.824e-18   -17.740   -17.739     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.17   -126.03   -2.86  [13C]H4
+  [13C]H4(g)     -125.19   -128.05   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.93    -21.44   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.25   -137.11   -2.86  [14C]H4
+  [14C]H4(g)     -136.27   -139.13   -2.86  [14C]H4
   [14C]O2(g)      -14.57    -16.04   -1.47  [14C]O2
   [14C]O[18O](g)  -16.95    -18.74   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.46    -18.75   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -48778,14 +48768,14 @@ O(0)          8.935e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.21   -124.07   -2.86  CH4
+  CH4(g)         -123.23   -126.09   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.37    -39.52   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.46    -13.35   -2.89  O2
-  O[18O](g)       -13.16    -16.05   -2.89  O[18O]
+  O2(g)            -9.45    -12.34   -2.89  O2
+  O[18O](g)       -12.15    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -48849,23 +48839,23 @@ Calcite                                     3.81e-02
 
      R(18O)              	 1.99520e-03	         -4.985  permil    
      R(13C)              	 1.11462e-02	        -3.0415  permil    
-     R(14C)              	 9.26240e-14	         7.8769  pmc       
+     R(14C)              	 9.26246e-14	          7.877  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9865  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.021  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9865  permil    
      R(13C) CO2(aq)      	 1.10664e-02	        -10.176  permil    
-     R(14C) CO2(aq)      	 9.13021e-14	         7.7645  pmc       
+     R(14C) CO2(aq)      	 9.13027e-14	         7.7646  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9865  permil    
      R(13C) HCO3-        	 1.11627e-02	         -1.565  permil    
-     R(14C) HCO3-        	 9.28976e-14	         7.9002  pmc       
+     R(14C) HCO3-        	 9.28982e-14	         7.9003  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9865  permil    
      R(13C) CO3-2        	 1.11467e-02	        -2.9978  permil    
-     R(14C) CO3-2        	 9.26312e-14	         7.8776  pmc       
+     R(14C) CO3-2        	 9.26318e-14	         7.8776  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11848e-02	         0.4126  permil    
-     R(14C) Calcite      	 9.32660e-14	         7.9315  pmc       
+     R(14C) Calcite      	 9.32666e-14	         7.9316  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -48875,12 +48865,12 @@ Calcite                                     3.81e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2484e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2958e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    1.5543e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7013e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7794e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -48900,14 +48890,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.192      Adjusted to redox equilibrium
+                                       pe  =  11.448      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -48922,24 +48912,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.047  -124.047     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.100  -126.099     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -48947,23 +48937,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.180e-40
-   H2              3.090e-40   3.095e-40   -39.510   -39.509     0.001     (0)  
-O(0)          8.690e-14
-   O2              4.328e-14   4.335e-14   -13.364   -13.363     0.001     (0)  
-   O[18O]          1.727e-16   1.730e-16   -15.763   -15.762     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.023   -40.022     0.001     (0)  
+O(0)          9.231e-13
+   O2              4.597e-13   4.605e-13   -12.337   -12.337     0.001     (0)  
+   O[18O]          1.835e-15   1.838e-15   -14.736   -14.736     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.003  -126.003     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.056  -128.055     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.803e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.582e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
@@ -48972,56 +48962,56 @@ O(0)          8.690e-14
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.087  -137.086     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.139  -139.139     0.001     (0)  
 [14C](4)      5.409e-16
    H[14C]O3-       4.369e-16   3.997e-16   -15.360   -15.398    -0.039     (0)  
    [14C]O2         9.092e-17   9.107e-17   -16.041   -16.041     0.001     (0)  
    CaH[14C]O3+     9.227e-18   8.464e-18   -17.035   -17.072    -0.037     (0)  
-   H[14C]O2[18O]-   8.718e-19   7.976e-19   -18.060   -18.098    -0.039     (0)  
-   H[14C]O[18O]O-   8.718e-19   7.976e-19   -18.060   -18.098    -0.039     (0)  
    H[14C][18O]O2-   8.718e-19   7.976e-19   -18.060   -18.098    -0.039     (0)  
+   H[14C]O[18O]O-   8.718e-19   7.976e-19   -18.060   -18.098    -0.039     (0)  
+   H[14C]O2[18O]-   8.718e-19   7.976e-19   -18.060   -18.098    -0.039     (0)  
    Ca[14C]O3       5.058e-19   5.067e-19   -18.296   -18.295     0.001     (0)  
    [14C]O[18O]     3.781e-19   3.787e-19   -18.422   -18.422     0.001     (0)  
    [14C]O3-2       2.595e-19   1.818e-19   -18.586   -18.740    -0.155     (0)  
    CaH[14C]O2[18O]+   1.841e-20   1.689e-20   -19.735   -19.772    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.841e-20   1.689e-20   -19.735   -19.772    -0.037     (0)  
    CaH[14C][18O]O2+   1.841e-20   1.689e-20   -19.735   -19.772    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.841e-20   1.689e-20   -19.735   -19.772    -0.037     (0)  
    Ca[14C]O2[18O]   3.028e-21   3.033e-21   -20.519   -20.518     0.001     (0)  
-   H[14C]O[18O]2-   1.739e-21   1.591e-21   -20.760   -20.798    -0.039     (0)  
    H[14C][18O]2O-   1.739e-21   1.591e-21   -20.760   -20.798    -0.039     (0)  
    H[14C][18O]O[18O]-   1.739e-21   1.591e-21   -20.760   -20.798    -0.039     (0)  
+   H[14C]O[18O]2-   1.739e-21   1.591e-21   -20.760   -20.798    -0.039     (0)  
    [14C]O2[18O]-2   1.553e-21   1.088e-21   -20.809   -20.963    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.730e-16
-   O[18O]          1.727e-16   1.730e-16   -15.763   -15.762     0.001     (0)  
-   [18O]2          1.723e-19   1.726e-19   -18.764   -18.763     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.838e-15
+   O[18O]          1.835e-15   1.838e-15   -14.736   -14.736     0.001     (0)  
+   [18O]2          1.830e-18   1.833e-18   -17.738   -17.737     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.14   -126.00   -2.86  [13C]H4
+  [13C]H4(g)     -125.20   -128.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.94    -21.44   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.23   -137.09   -2.86  [14C]H4
+  [14C]H4(g)     -136.28   -139.14   -2.86  [14C]H4
   [14C]O2(g)      -14.57    -16.04   -1.47  [14C]O2
   [14C]O[18O](g)  -16.95    -18.74   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.47    -18.76   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -49035,14 +49025,14 @@ O(0)          8.690e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.19   -124.05   -2.86  CH4
+  CH4(g)         -123.24   -126.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.36    -39.51   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.47    -13.36   -2.89  O2
-  O[18O](g)       -13.17    -16.06   -2.89  O[18O]
+  O2(g)            -9.44    -12.34   -2.89  O2
+  O[18O](g)       -12.14    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -49106,23 +49096,23 @@ Calcite                                     3.86e-02
 
      R(18O)              	 1.99520e-03	        -4.9849  permil    
      R(13C)              	 1.11464e-02	        -3.0229  permil    
-     R(14C)              	 9.15811e-14	         7.7882  pmc       
+     R(14C)              	 9.15817e-14	         7.7883  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9864  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9864  permil    
      R(13C) CO2(aq)      	 1.10666e-02	        -10.158  permil    
-     R(14C) CO2(aq)      	 9.02740e-14	         7.6771  pmc       
+     R(14C) CO2(aq)      	 9.02746e-14	         7.6771  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9864  permil    
      R(13C) HCO3-        	 1.11629e-02	        -1.5463  permil    
-     R(14C) HCO3-        	 9.18516e-14	         7.8113  pmc       
+     R(14C) HCO3-        	 9.18522e-14	         7.8113  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9864  permil    
      R(13C) CO3-2        	 1.11469e-02	        -2.9792  permil    
-     R(14C) CO3-2        	 9.15881e-14	         7.7888  pmc       
+     R(14C) CO3-2        	 9.15887e-14	         7.7889  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11850e-02	        0.43128  permil    
-     R(14C) Calcite      	 9.22158e-14	         7.8422  pmc       
+     R(14C) Calcite      	 9.22164e-14	         7.8423  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -49132,12 +49122,12 @@ Calcite                                     3.86e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.253e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2342e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.2196e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6167e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.763e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -49157,14 +49147,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.177      Adjusted to redox equilibrium
+                                       pe  =  11.449      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -49179,14 +49169,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.928  -123.928     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.103  -126.102     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -49194,9 +49184,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -49204,81 +49194,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.617e-40
-   H2              3.308e-40   3.314e-40   -39.480   -39.480     0.001     (0)  
-O(0)          7.579e-14
-   O2              3.774e-14   3.781e-14   -13.423   -13.422     0.001     (0)  
-   O[18O]          1.506e-16   1.509e-16   -15.822   -15.821     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.024   -40.023     0.001     (0)  
+O(0)          9.264e-13
+   O2              4.614e-13   4.621e-13   -12.336   -12.335     0.001     (0)  
+   O[18O]          1.841e-15   1.844e-15   -14.735   -14.734     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.884  -125.884     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.059  -128.058     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.250e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.122e-08   2.187e-08    -7.506    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.439    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.973  -136.972     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.147  -139.147     0.001     (0)  
 [14C](4)      5.348e-16
    H[14C]O3-       4.320e-16   3.952e-16   -15.364   -15.403    -0.039     (0)  
    [14C]O2         8.990e-17   9.004e-17   -16.046   -16.046     0.001     (0)  
    CaH[14C]O3+     9.123e-18   8.369e-18   -17.040   -17.077    -0.037     (0)  
-   H[14C]O2[18O]-   8.620e-19   7.886e-19   -18.065   -18.103    -0.039     (0)  
-   H[14C]O[18O]O-   8.620e-19   7.886e-19   -18.065   -18.103    -0.039     (0)  
    H[14C][18O]O2-   8.620e-19   7.886e-19   -18.065   -18.103    -0.039     (0)  
+   H[14C]O[18O]O-   8.620e-19   7.886e-19   -18.065   -18.103    -0.039     (0)  
+   H[14C]O2[18O]-   8.620e-19   7.886e-19   -18.065   -18.103    -0.039     (0)  
    Ca[14C]O3       5.001e-19   5.009e-19   -18.301   -18.300     0.001     (0)  
    [14C]O[18O]     3.738e-19   3.744e-19   -18.427   -18.427     0.001     (0)  
    [14C]O3-2       2.566e-19   1.797e-19   -18.591   -18.745    -0.155     (0)  
    CaH[14C]O2[18O]+   1.820e-20   1.670e-20   -19.740   -19.777    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.820e-20   1.670e-20   -19.740   -19.777    -0.037     (0)  
    CaH[14C][18O]O2+   1.820e-20   1.670e-20   -19.740   -19.777    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.820e-20   1.670e-20   -19.740   -19.777    -0.037     (0)  
    Ca[14C]O2[18O]   2.994e-21   2.998e-21   -20.524   -20.523     0.001     (0)  
+   H[14C][18O]O[18O]-   1.720e-21   1.573e-21   -20.765   -20.803    -0.039     (0)  
    H[14C]O[18O]2-   1.720e-21   1.573e-21   -20.765   -20.803    -0.039     (0)  
    H[14C][18O]2O-   1.720e-21   1.573e-21   -20.765   -20.803    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.720e-21   1.573e-21   -20.765   -20.803    -0.039     (0)  
    [14C]O2[18O]-2   1.536e-21   1.076e-21   -20.814   -20.968    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.509e-16
-   O[18O]          1.506e-16   1.509e-16   -15.822   -15.821     0.001     (0)  
-   [18O]2          1.503e-19   1.505e-19   -18.823   -18.822     0.001     (0)  
+[18O](0)      1.845e-15
+   O[18O]          1.841e-15   1.844e-15   -14.735   -14.734     0.001     (0)  
+   [18O]2          1.837e-18   1.840e-18   -17.736   -17.735     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.02   -125.88   -2.86  [13C]H4
+  [13C]H4(g)     -125.20   -128.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.94    -21.45   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.11   -136.97   -2.86  [14C]H4
+  [14C]H4(g)     -136.29   -139.15   -2.86  [14C]H4
   [14C]O2(g)      -14.58    -16.05   -1.47  [14C]O2
   [14C]O[18O](g)  -16.96    -18.75   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.53    -18.82   -2.29  [18O]2
+  [18O]2(g)       -15.44    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -49292,14 +49282,14 @@ O(0)          7.579e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.07   -123.93   -2.86  CH4
+  CH4(g)         -123.24   -126.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.33    -39.48   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.53    -13.42   -2.89  O2
-  O[18O](g)       -13.23    -16.12   -2.89  O[18O]
+  O2(g)            -9.44    -12.34   -2.89  O2
+  O[18O](g)       -12.14    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -49363,23 +49353,23 @@ Calcite                                     3.91e-02
 
      R(18O)              	 1.99520e-03	        -4.9847  permil    
      R(13C)              	 1.11466e-02	        -3.0047  permil    
-     R(14C)              	 9.05613e-14	         7.7015  pmc       
+     R(14C)              	 9.05619e-14	         7.7016  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9862  permil    
      R(18O) OH-          	 1.92123e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9862  permil    
      R(13C) CO2(aq)      	 1.10668e-02	         -10.14  permil    
-     R(14C) CO2(aq)      	 8.92688e-14	         7.5916  pmc       
+     R(14C) CO2(aq)      	 8.92694e-14	         7.5917  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9862  permil    
      R(13C) HCO3-        	 1.11631e-02	        -1.5281  permil    
-     R(14C) HCO3-        	 9.08288e-14	         7.7243  pmc       
+     R(14C) HCO3-        	 9.08294e-14	         7.7243  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9862  permil    
      R(13C) CO3-2        	 1.11471e-02	         -2.961  permil    
-     R(14C) CO3-2        	 9.05683e-14	         7.7021  pmc       
+     R(14C) CO3-2        	 9.05689e-14	         7.7022  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11852e-02	        0.44954  permil    
-     R(14C) Calcite      	 9.11890e-14	         7.7549  pmc       
+     R(14C) Calcite      	 9.11896e-14	          7.755  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -49389,12 +49379,12 @@ Calcite                                     3.91e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2575e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2394e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -3.6637e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6303e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7767e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -49414,14 +49404,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.205      Adjusted to redox equilibrium
+                                       pe  =  11.451      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -49436,24 +49426,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.148  -124.147     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.123  -126.122     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -49461,50 +49451,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.831e-40
-   H2              2.915e-40   2.920e-40   -39.535   -39.535     0.001     (0)  
-O(0)          9.760e-14
-   O2              4.861e-14   4.869e-14   -13.313   -13.313     0.001     (0)  
-   O[18O]          1.940e-16   1.943e-16   -15.712   -15.712     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.029   -40.028     0.001     (0)  
+O(0)          9.480e-13
+   O2              4.721e-13   4.729e-13   -12.326   -12.325     0.001     (0)  
+   O[18O]          1.884e-15   1.887e-15   -14.725   -14.724     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.104  -126.103     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.079  -128.078     0.001     (0)  
 [13C](4)      6.509e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.187e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.197  -137.197     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.172  -139.171     0.001     (0)  
 [14C](4)      5.289e-16
    H[14C]O3-       4.272e-16   3.908e-16   -15.369   -15.408    -0.039     (0)  
    [14C]O2         8.889e-17   8.904e-17   -16.051   -16.050     0.001     (0)  
    CaH[14C]O3+     9.021e-18   8.276e-18   -17.045   -17.082    -0.037     (0)  
-   H[14C]O2[18O]-   8.524e-19   7.798e-19   -18.069   -18.108    -0.039     (0)  
-   H[14C]O[18O]O-   8.524e-19   7.798e-19   -18.069   -18.108    -0.039     (0)  
    H[14C][18O]O2-   8.524e-19   7.798e-19   -18.069   -18.108    -0.039     (0)  
+   H[14C]O[18O]O-   8.524e-19   7.798e-19   -18.069   -18.108    -0.039     (0)  
+   H[14C]O2[18O]-   8.524e-19   7.798e-19   -18.069   -18.108    -0.039     (0)  
    Ca[14C]O3       4.946e-19   4.954e-19   -18.306   -18.305     0.001     (0)  
    [14C]O[18O]     3.697e-19   3.703e-19   -18.432   -18.431     0.001     (0)  
    [14C]O3-2       2.537e-19   1.777e-19   -18.596   -18.750    -0.155     (0)  
    CaH[14C]O2[18O]+   1.800e-20   1.651e-20   -19.745   -19.782    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.800e-20   1.651e-20   -19.745   -19.782    -0.037     (0)  
    CaH[14C][18O]O2+   1.800e-20   1.651e-20   -19.745   -19.782    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.800e-20   1.651e-20   -19.745   -19.782    -0.037     (0)  
    Ca[14C]O2[18O]   2.960e-21   2.965e-21   -20.529   -20.528     0.001     (0)  
    H[14C]O[18O]2-   1.701e-21   1.556e-21   -20.769   -20.808    -0.039     (0)  
    H[14C][18O]2O-   1.701e-21   1.556e-21   -20.769   -20.808    -0.039     (0)  
@@ -49513,29 +49503,29 @@ O(0)          9.760e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.943e-16
-   O[18O]          1.940e-16   1.943e-16   -15.712   -15.712     0.001     (0)  
-   [18O]2          1.935e-19   1.938e-19   -18.713   -18.713     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.888e-15
+   O[18O]          1.884e-15   1.887e-15   -14.725   -14.724     0.001     (0)  
+   [18O]2          1.879e-18   1.883e-18   -17.726   -17.725     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.24   -126.10   -2.86  [13C]H4
+  [13C]H4(g)     -125.22   -128.08   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.95    -21.45   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.34   -137.20   -2.86  [14C]H4
+  [14C]H4(g)     -136.31   -139.17   -2.86  [14C]H4
   [14C]O2(g)      -14.58    -16.05   -1.47  [14C]O2
   [14C]O[18O](g)  -16.96    -18.75   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.42    -18.71   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.73   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -49549,14 +49539,14 @@ O(0)          9.760e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.29   -124.15   -2.86  CH4
+  CH4(g)         -123.26   -126.12   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.38    -39.53   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.42    -13.31   -2.89  O2
-  O[18O](g)       -13.12    -16.01   -2.89  O[18O]
+  O2(g)            -9.43    -12.33   -2.89  O2
+  O[18O](g)       -12.13    -15.03   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -49620,23 +49610,23 @@ Calcite                                     3.96e-02
 
      R(18O)              	 1.99520e-03	        -4.9846  permil    
      R(13C)              	 1.11468e-02	        -2.9869  permil    
-     R(14C)              	 8.95640e-14	         7.6167  pmc       
+     R(14C)              	 8.95646e-14	         7.6168  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9861  permil    
      R(18O) OH-          	 1.92124e-03	        -41.874  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9861  permil    
      R(13C) CO2(aq)      	 1.10670e-02	        -10.122  permil    
-     R(14C) CO2(aq)      	 8.82858e-14	          7.508  pmc       
+     R(14C) CO2(aq)      	 8.82863e-14	         7.5081  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9861  permil    
      R(13C) HCO3-        	 1.11633e-02	        -1.5103  permil    
-     R(14C) HCO3-        	 8.98286e-14	         7.6392  pmc       
+     R(14C) HCO3-        	 8.98292e-14	         7.6393  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9861  permil    
      R(13C) CO3-2        	 1.11473e-02	        -2.9432  permil    
-     R(14C) CO3-2        	 8.95709e-14	         7.6173  pmc       
+     R(14C) CO3-2        	 8.95715e-14	         7.6174  pmc       
      R(18O) Calcite      	 2.05264e-03	          23.66  permil    
      R(13C) Calcite      	 1.11854e-02	         0.4674  permil    
-     R(14C) Calcite      	 9.01848e-14	         7.6695  pmc       
+     R(14C) Calcite      	 9.01854e-14	         7.6696  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -49646,12 +49636,12 @@ Calcite                                     3.96e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2653e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2464e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    -4.774e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5974e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6083e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -49671,14 +49661,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.208      Adjusted to redox equilibrium
+                                       pe  =  11.453      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -49693,13 +49683,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.174  -124.173     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.132  -126.131     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -49708,9 +49698,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -49718,23 +49708,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.744e-40
-   H2              2.872e-40   2.877e-40   -39.542   -39.541     0.001     (0)  
-O(0)          1.006e-13
-   O2              5.008e-14   5.017e-14   -13.300   -13.300     0.001     (0)  
-   O[18O]          1.999e-16   2.002e-16   -15.699   -15.699     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.031   -40.031     0.001     (0)  
+O(0)          9.582e-13
+   O2              4.772e-13   4.780e-13   -12.321   -12.321     0.001     (0)  
+   O[18O]          1.904e-15   1.907e-15   -14.720   -14.720     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.130  -126.129     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.088  -128.087     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
@@ -49743,56 +49733,56 @@ O(0)          1.006e-13
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.643e-10   3.649e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.228  -137.228     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.186  -139.186     0.001     (0)  
 [14C](4)      5.230e-16
    H[14C]O3-       4.225e-16   3.865e-16   -15.374   -15.413    -0.039     (0)  
    [14C]O2         8.792e-17   8.806e-17   -16.056   -16.055     0.001     (0)  
    CaH[14C]O3+     8.922e-18   8.184e-18   -17.050   -17.087    -0.037     (0)  
-   H[14C]O2[18O]-   8.430e-19   7.712e-19   -18.074   -18.113    -0.039     (0)  
-   H[14C]O[18O]O-   8.430e-19   7.712e-19   -18.074   -18.113    -0.039     (0)  
    H[14C][18O]O2-   8.430e-19   7.712e-19   -18.074   -18.113    -0.039     (0)  
+   H[14C]O[18O]O-   8.430e-19   7.712e-19   -18.074   -18.113    -0.039     (0)  
+   H[14C]O2[18O]-   8.430e-19   7.712e-19   -18.074   -18.113    -0.039     (0)  
    Ca[14C]O3       4.891e-19   4.899e-19   -18.311   -18.310     0.001     (0)  
    [14C]O[18O]     3.656e-19   3.662e-19   -18.437   -18.436     0.001     (0)  
    [14C]O3-2       2.509e-19   1.758e-19   -18.600   -18.755    -0.155     (0)  
    CaH[14C]O2[18O]+   1.780e-20   1.633e-20   -19.750   -19.787    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.780e-20   1.633e-20   -19.750   -19.787    -0.037     (0)  
    CaH[14C][18O]O2+   1.780e-20   1.633e-20   -19.750   -19.787    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.780e-20   1.633e-20   -19.750   -19.787    -0.037     (0)  
    Ca[14C]O2[18O]   2.928e-21   2.932e-21   -20.533   -20.533     0.001     (0)  
-   H[14C]O[18O]2-   1.682e-21   1.539e-21   -20.774   -20.813    -0.039     (0)  
    H[14C][18O]2O-   1.682e-21   1.539e-21   -20.774   -20.813    -0.039     (0)  
    H[14C][18O]O[18O]-   1.682e-21   1.539e-21   -20.774   -20.813    -0.039     (0)  
+   H[14C]O[18O]2-   1.682e-21   1.539e-21   -20.774   -20.813    -0.039     (0)  
    [14C]O2[18O]-2   1.502e-21   1.052e-21   -20.823   -20.978    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.003e-16
-   O[18O]          1.999e-16   2.002e-16   -15.699   -15.699     0.001     (0)  
-   [18O]2          1.994e-19   1.997e-19   -18.700   -18.700     0.001     (0)  
+[18O](0)      1.908e-15
+   O[18O]          1.904e-15   1.907e-15   -14.720   -14.720     0.001     (0)  
+   [18O]2          1.900e-18   1.903e-18   -17.721   -17.721     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.27   -126.13   -2.86  [13C]H4
+  [13C]H4(g)     -125.23   -128.09   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.95    -21.46   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.37   -137.23   -2.86  [14C]H4
+  [14C]H4(g)     -136.33   -139.19   -2.86  [14C]H4
   [14C]O2(g)      -14.59    -16.06   -1.47  [14C]O2
   [14C]O[18O](g)  -16.97    -18.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.41    -18.70   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -49806,14 +49796,14 @@ O(0)          1.006e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.31   -124.17   -2.86  CH4
+  CH4(g)         -123.27   -126.13   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.39    -39.54   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.41    -13.30   -2.89  O2
-  O[18O](g)       -13.11    -16.00   -2.89  O[18O]
+  O2(g)            -9.43    -12.32   -2.89  O2
+  O[18O](g)       -12.13    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -49877,23 +49867,23 @@ Calcite                                     4.01e-02
 
      R(18O)              	 1.99521e-03	        -4.9844  permil    
      R(13C)              	 1.11470e-02	        -2.9695  permil    
-     R(14C)              	 8.85885e-14	         7.5338  pmc       
+     R(14C)              	 8.85891e-14	         7.5338  pmc       
      R(18O) H2O(l)       	 1.99520e-03	         -4.986  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	         -4.986  permil    
      R(13C) CO2(aq)      	 1.10672e-02	        -10.105  permil    
-     R(14C) CO2(aq)      	 8.73241e-14	         7.4262  pmc       
+     R(14C) CO2(aq)      	 8.73247e-14	         7.4263  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	         -4.986  permil    
      R(13C) HCO3-        	 1.11635e-02	        -1.4928  permil    
-     R(14C) HCO3-        	 8.88502e-14	          7.556  pmc       
+     R(14C) HCO3-        	 8.88507e-14	         7.5561  pmc       
      R(18O) CO3-2        	 1.99520e-03	         -4.986  permil    
      R(13C) CO3-2        	 1.11475e-02	        -2.9258  permil    
-     R(14C) CO3-2        	 8.85953e-14	         7.5343  pmc       
+     R(14C) CO3-2        	 8.85959e-14	         7.5344  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.661  permil    
      R(13C) Calcite      	 1.11856e-02	        0.48487  permil    
-     R(14C) Calcite      	 8.92025e-14	          7.586  pmc       
+     R(14C) Calcite      	 8.92030e-14	          7.586  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -49903,12 +49893,12 @@ Calcite                                     4.01e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2757e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2569e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -5.6621e-12             0
+Alpha 18O HCO3-/H2O(l)                            1    1.1102e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6439e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6513e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -49928,14 +49918,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.144      Adjusted to redox equilibrium
+                                       pe  =  11.448      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -49950,24 +49940,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.660  -123.659     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.097  -126.096     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -49975,81 +49965,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.722e-40
-   H2              3.861e-40   3.867e-40   -39.413   -39.413     0.001     (0)  
-O(0)          5.565e-14
-   O2              2.771e-14   2.776e-14   -13.557   -13.557     0.001     (0)  
-   O[18O]          1.106e-16   1.108e-16   -15.956   -15.956     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.022   -40.022     0.001     (0)  
+O(0)          9.198e-13
+   O2              4.581e-13   4.588e-13   -12.339   -12.338     0.001     (0)  
+   O[18O]          1.828e-15   1.831e-15   -14.738   -14.737     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.616  -125.615     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.053  -128.052     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.584e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.719  -136.718     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.155  -139.155     0.001     (0)  
 [14C](4)      5.173e-16
    H[14C]O3-       4.179e-16   3.823e-16   -15.379   -15.418    -0.039     (0)  
    [14C]O2         8.696e-17   8.710e-17   -16.061   -16.060     0.001     (0)  
    CaH[14C]O3+     8.825e-18   8.095e-18   -17.054   -17.092    -0.037     (0)  
-   H[14C]O2[18O]-   8.338e-19   7.628e-19   -18.079   -18.118    -0.039     (0)  
-   H[14C]O[18O]O-   8.338e-19   7.628e-19   -18.079   -18.118    -0.039     (0)  
    H[14C][18O]O2-   8.338e-19   7.628e-19   -18.079   -18.118    -0.039     (0)  
+   H[14C]O[18O]O-   8.338e-19   7.628e-19   -18.079   -18.118    -0.039     (0)  
+   H[14C]O2[18O]-   8.338e-19   7.628e-19   -18.079   -18.118    -0.039     (0)  
    Ca[14C]O3       4.838e-19   4.846e-19   -18.315   -18.315     0.001     (0)  
    [14C]O[18O]     3.616e-19   3.622e-19   -18.442   -18.441     0.001     (0)  
    [14C]O3-2       2.482e-19   1.739e-19   -18.605   -18.760    -0.155     (0)  
    CaH[14C]O2[18O]+   1.761e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.761e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
    CaH[14C][18O]O2+   1.761e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.761e-20   1.615e-20   -19.754   -19.792    -0.037     (0)  
    Ca[14C]O2[18O]   2.896e-21   2.900e-21   -20.538   -20.538     0.001     (0)  
+   H[14C][18O]O[18O]-   1.664e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    H[14C]O[18O]2-   1.664e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    H[14C][18O]2O-   1.664e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.664e-21   1.522e-21   -20.779   -20.818    -0.039     (0)  
    [14C]O2[18O]-2   1.485e-21   1.041e-21   -20.828   -20.983    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.108e-16
-   O[18O]          1.106e-16   1.108e-16   -15.956   -15.956     0.001     (0)  
-   [18O]2          1.103e-19   1.105e-19   -18.957   -18.957     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.832e-15
+   O[18O]          1.828e-15   1.831e-15   -14.738   -14.737     0.001     (0)  
+   [18O]2          1.824e-18   1.827e-18   -17.739   -17.738     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.76   -125.62   -2.86  [13C]H4
+  [13C]H4(g)     -125.19   -128.05   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.96    -21.46   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.86   -136.72   -2.86  [14C]H4
+  [14C]H4(g)     -136.29   -139.15   -2.86  [14C]H4
   [14C]O2(g)      -14.59    -16.06   -1.47  [14C]O2
   [14C]O[18O](g)  -16.97    -18.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.67    -18.96   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -50063,14 +50053,14 @@ O(0)          5.565e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.80   -123.66   -2.86  CH4
+  CH4(g)         -123.24   -126.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.26    -39.41   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.66    -13.56   -2.89  O2
-  O[18O](g)       -13.36    -16.26   -2.89  O[18O]
+  O2(g)            -9.45    -12.34   -2.89  O2
+  O[18O](g)       -12.15    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -50134,23 +50124,23 @@ Calcite                                     4.06e-02
 
      R(18O)              	 1.99521e-03	        -4.9843  permil    
      R(13C)              	 1.11472e-02	        -2.9524  permil    
-     R(14C)              	 8.76340e-14	         7.4526  pmc       
+     R(14C)              	 8.76345e-14	         7.4526  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9858  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9858  permil    
      R(13C) CO2(aq)      	 1.10674e-02	        -10.088  permil    
-     R(14C) CO2(aq)      	 8.63832e-14	         7.3462  pmc       
+     R(14C) CO2(aq)      	 8.63838e-14	         7.3463  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.888  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9858  permil    
      R(13C) HCO3-        	 1.11637e-02	        -1.4758  permil    
-     R(14C) HCO3-        	 8.78928e-14	         7.4746  pmc       
+     R(14C) HCO3-        	 8.78934e-14	         7.4746  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9858  permil    
      R(13C) CO3-2        	 1.11477e-02	        -2.9087  permil    
-     R(14C) CO3-2        	 8.76407e-14	         7.4532  pmc       
+     R(14C) CO3-2        	 8.76413e-14	         7.4532  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.661  permil    
      R(13C) Calcite      	 1.11858e-02	        0.50196  permil    
-     R(14C) Calcite      	 8.82413e-14	         7.5042  pmc       
+     R(14C) Calcite      	 8.82419e-14	         7.5043  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -50160,12 +50150,12 @@ Calcite                                     4.06e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2569e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2373e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6868e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6954e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -50185,14 +50175,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.121      Adjusted to redox equilibrium
+                                       pe  =  11.449      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -50207,14 +50197,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.483  -123.483     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.101  -126.100     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -50222,9 +50212,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -50232,50 +50222,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.549e-40
-   H2              4.275e-40   4.282e-40   -39.369   -39.368     0.001     (0)  
-O(0)          4.540e-14
-   O2              2.261e-14   2.265e-14   -13.646   -13.645     0.001     (0)  
-   O[18O]          9.023e-17   9.038e-17   -16.045   -16.044     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.023   -40.023     0.001     (0)  
+O(0)          9.243e-13
+   O2              4.603e-13   4.611e-13   -12.337   -12.336     0.001     (0)  
+   O[18O]          1.837e-15   1.840e-15   -14.736   -14.735     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.439  -125.439     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.057  -128.056     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.547  -136.546     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.164  -139.164     0.001     (0)  
 [14C](4)      5.118e-16
    H[14C]O3-       4.134e-16   3.782e-16   -15.384   -15.422    -0.039     (0)  
    [14C]O2         8.602e-17   8.616e-17   -16.065   -16.065     0.001     (0)  
    CaH[14C]O3+     8.730e-18   8.008e-18   -17.059   -17.096    -0.037     (0)  
-   H[14C]O2[18O]-   8.248e-19   7.546e-19   -18.084   -18.122    -0.039     (0)  
-   H[14C]O[18O]O-   8.248e-19   7.546e-19   -18.084   -18.122    -0.039     (0)  
    H[14C][18O]O2-   8.248e-19   7.546e-19   -18.084   -18.122    -0.039     (0)  
+   H[14C]O[18O]O-   8.248e-19   7.546e-19   -18.084   -18.122    -0.039     (0)  
+   H[14C]O2[18O]-   8.248e-19   7.546e-19   -18.084   -18.122    -0.039     (0)  
    Ca[14C]O3       4.786e-19   4.794e-19   -18.320   -18.319     0.001     (0)  
    [14C]O[18O]     3.577e-19   3.583e-19   -18.446   -18.446     0.001     (0)  
    [14C]O3-2       2.455e-19   1.720e-19   -18.610   -18.765    -0.155     (0)  
    CaH[14C]O2[18O]+   1.742e-20   1.598e-20   -19.759   -19.796    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.742e-20   1.598e-20   -19.759   -19.796    -0.037     (0)  
    CaH[14C][18O]O2+   1.742e-20   1.598e-20   -19.759   -19.796    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.742e-20   1.598e-20   -19.759   -19.796    -0.037     (0)  
    Ca[14C]O2[18O]   2.865e-21   2.869e-21   -20.543   -20.542     0.001     (0)  
    H[14C]O[18O]2-   1.646e-21   1.506e-21   -20.784   -20.822    -0.039     (0)  
    H[14C][18O]2O-   1.646e-21   1.506e-21   -20.784   -20.822    -0.039     (0)  
@@ -50284,29 +50274,29 @@ O(0)          4.540e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      9.041e-17
-   O[18O]          9.023e-17   9.038e-17   -16.045   -16.044     0.001     (0)  
-   [18O]2          9.001e-20   9.016e-20   -19.046   -19.045     0.001     (0)  
+[18O](0)      1.841e-15
+   O[18O]          1.837e-15   1.840e-15   -14.736   -14.735     0.001     (0)  
+   [18O]2          1.833e-18   1.836e-18   -17.737   -17.736     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.58   -125.44   -2.86  [13C]H4
+  [13C]H4(g)     -125.20   -128.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.96    -21.46   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.69   -136.55   -2.86  [14C]H4
+  [14C]H4(g)     -136.30   -139.16   -2.86  [14C]H4
   [14C]O2(g)      -14.60    -16.06   -1.47  [14C]O2
   [14C]O[18O](g)  -16.98    -18.76   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.75    -19.04   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -50320,14 +50310,14 @@ O(0)          4.540e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.62   -123.48   -2.86  CH4
+  CH4(g)         -123.24   -126.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.22    -39.37   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.75    -13.64   -2.89  O2
-  O[18O](g)       -13.45    -16.34   -2.89  O[18O]
+  O2(g)            -9.44    -12.34   -2.89  O2
+  O[18O](g)       -12.14    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -50391,23 +50381,23 @@ Calcite                                     4.11e-02
 
      R(18O)              	 1.99521e-03	        -4.9842  permil    
      R(13C)              	 1.11474e-02	        -2.9358  permil    
-     R(14C)              	 8.66998e-14	         7.3731  pmc       
+     R(14C)              	 8.67003e-14	         7.3732  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9857  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9857  permil    
      R(13C) CO2(aq)      	 1.10676e-02	        -10.071  permil    
-     R(14C) CO2(aq)      	 8.54624e-14	         7.2679  pmc       
+     R(14C) CO2(aq)      	 8.54629e-14	         7.2679  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9857  permil    
      R(13C) HCO3-        	 1.11639e-02	        -1.4591  permil    
-     R(14C) HCO3-        	 8.69559e-14	         7.3949  pmc       
+     R(14C) HCO3-        	 8.69564e-14	          7.395  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9857  permil    
      R(13C) CO3-2        	 1.11479e-02	        -2.8921  permil    
-     R(14C) CO3-2        	 8.67065e-14	         7.3737  pmc       
+     R(14C) CO3-2        	 8.67070e-14	         7.3738  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.661  permil    
      R(13C) Calcite      	 1.11860e-02	        0.51869  permil    
-     R(14C) Calcite      	 8.73007e-14	         7.4242  pmc       
+     R(14C) Calcite      	 8.73012e-14	         7.4243  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -50417,12 +50407,12 @@ Calcite                                     4.11e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2414e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2545e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.7716e-12             0
+Alpha 18O HCO3-/H2O(l)                            1             0             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6523e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.5259e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -50442,14 +50432,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.129      Adjusted to redox equilibrium
+                                       pe  =  11.447      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -50464,24 +50454,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.546  -123.545     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.091  -126.090     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -50489,23 +50479,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.248e-40
-   H2              4.124e-40   4.131e-40   -39.385   -39.384     0.001     (0)  
-O(0)          4.878e-14
-   O2              2.429e-14   2.433e-14   -13.614   -13.614     0.001     (0)  
-   O[18O]          9.695e-17   9.711e-17   -16.013   -16.013     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.021   -40.020     0.001     (0)  
+O(0)          9.134e-13
+   O2              4.549e-13   4.556e-13   -12.342   -12.341     0.001     (0)  
+   O[18O]          1.815e-15   1.818e-15   -14.741   -14.740     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.502  -125.501     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.046  -128.046     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.590e-08    -7.339    -7.338     0.001     (0)  
@@ -50514,56 +50504,56 @@ O(0)          4.878e-14
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.614  -136.613     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.159  -139.158     0.001     (0)  
 [14C](4)      5.063e-16
    H[14C]O3-       4.090e-16   3.742e-16   -15.388   -15.427    -0.039     (0)  
    [14C]O2         8.510e-17   8.524e-17   -16.070   -16.069     0.001     (0)  
    CaH[14C]O3+     8.637e-18   7.923e-18   -17.064   -17.101    -0.037     (0)  
-   H[14C]O2[18O]-   8.160e-19   7.466e-19   -18.088   -18.127    -0.039     (0)  
-   H[14C]O[18O]O-   8.160e-19   7.466e-19   -18.088   -18.127    -0.039     (0)  
    H[14C][18O]O2-   8.160e-19   7.466e-19   -18.088   -18.127    -0.039     (0)  
+   H[14C]O[18O]O-   8.160e-19   7.466e-19   -18.088   -18.127    -0.039     (0)  
+   H[14C]O2[18O]-   8.160e-19   7.466e-19   -18.088   -18.127    -0.039     (0)  
    Ca[14C]O3       4.735e-19   4.742e-19   -18.325   -18.324     0.001     (0)  
    [14C]O[18O]     3.539e-19   3.545e-19   -18.451   -18.450     0.001     (0)  
-   [14C]O3-2       2.429e-19   1.701e-19   -18.615   -18.769    -0.155     (0)  
+   [14C]O3-2       2.429e-19   1.702e-19   -18.615   -18.769    -0.155     (0)  
    CaH[14C]O2[18O]+   1.723e-20   1.581e-20   -19.764   -19.801    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.723e-20   1.581e-20   -19.764   -19.801    -0.037     (0)  
    CaH[14C][18O]O2+   1.723e-20   1.581e-20   -19.764   -19.801    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.723e-20   1.581e-20   -19.764   -19.801    -0.037     (0)  
    Ca[14C]O2[18O]   2.834e-21   2.839e-21   -20.548   -20.547     0.001     (0)  
-   H[14C]O[18O]2-   1.628e-21   1.490e-21   -20.788   -20.827    -0.039     (0)  
    H[14C][18O]2O-   1.628e-21   1.490e-21   -20.788   -20.827    -0.039     (0)  
    H[14C][18O]O[18O]-   1.628e-21   1.490e-21   -20.788   -20.827    -0.039     (0)  
+   H[14C]O[18O]2-   1.628e-21   1.490e-21   -20.788   -20.827    -0.039     (0)  
    [14C]O2[18O]-2   1.454e-21   1.018e-21   -20.837   -20.992    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      9.714e-17
-   O[18O]          9.695e-17   9.711e-17   -16.013   -16.013     0.001     (0)  
-   [18O]2          9.671e-20   9.687e-20   -19.015   -19.014     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.819e-15
+   O[18O]          1.815e-15   1.818e-15   -14.741   -14.740     0.001     (0)  
+   [18O]2          1.811e-18   1.814e-18   -17.742   -17.741     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.64   -125.50   -2.86  [13C]H4
+  [13C]H4(g)     -125.19   -128.05   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.97    -21.47   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.75   -136.61   -2.86  [14C]H4
+  [14C]H4(g)     -136.30   -139.16   -2.86  [14C]H4
   [14C]O2(g)      -14.60    -16.07   -1.47  [14C]O2
   [14C]O[18O](g)  -16.98    -18.77   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.72    -19.01   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -50577,14 +50567,14 @@ O(0)          4.878e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.69   -123.55   -2.86  CH4
+  CH4(g)         -123.23   -126.09   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.23    -39.38   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.72    -13.61   -2.89  O2
-  O[18O](g)       -13.42    -16.31   -2.89  O[18O]
+  O2(g)            -9.45    -12.34   -2.89  O2
+  O[18O](g)       -12.15    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -50648,23 +50638,23 @@ Calcite                                     4.16e-02
 
      R(18O)              	 1.99521e-03	         -4.984  permil    
      R(13C)              	 1.11476e-02	        -2.9195  permil    
-     R(14C)              	 8.57853e-14	         7.2954  pmc       
+     R(14C)              	 8.57859e-14	         7.2954  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9856  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.022  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9856  permil    
      R(13C) CO2(aq)      	 1.10678e-02	        -10.055  permil    
-     R(14C) CO2(aq)      	 8.45609e-14	         7.1912  pmc       
+     R(14C) CO2(aq)      	 8.45615e-14	         7.1913  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9856  permil    
      R(13C) HCO3-        	 1.11641e-02	        -1.4427  permil    
-     R(14C) HCO3-        	 8.60387e-14	         7.3169  pmc       
+     R(14C) HCO3-        	 8.60392e-14	          7.317  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9856  permil    
      R(13C) CO3-2        	 1.11480e-02	        -2.8758  permil    
-     R(14C) CO3-2        	 8.57919e-14	         7.2959  pmc       
+     R(14C) CO3-2        	 8.57925e-14	          7.296  pmc       
      R(18O) Calcite      	 2.05264e-03	         23.661  permil    
      R(13C) Calcite      	 1.11862e-02	        0.53506  permil    
-     R(14C) Calcite      	 8.63799e-14	         7.3459  pmc       
+     R(14C) Calcite      	 8.63804e-14	          7.346  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -50674,12 +50664,12 @@ Calcite                                     4.16e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2623e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2432e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1             0             0
+Alpha 18O HCO3-/H2O(l)                            1    -5.218e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6659e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6761e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -50699,14 +50689,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.095      Adjusted to redox equilibrium
+                                       pe  =  11.447      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -50721,14 +50711,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.275  -123.275     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.092  -126.091     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -50736,9 +50726,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -50746,81 +50736,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          9.636e-40
-   H2              4.818e-40   4.826e-40   -39.317   -39.316     0.001     (0)  
-O(0)          3.574e-14
-   O2              1.780e-14   1.783e-14   -13.750   -13.749     0.001     (0)  
-   O[18O]          7.102e-17   7.114e-17   -16.149   -16.148     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.021   -40.020     0.001     (0)  
+O(0)          9.146e-13
+   O2              4.555e-13   4.562e-13   -12.342   -12.341     0.001     (0)  
+   O[18O]          1.817e-15   1.820e-15   -14.741   -14.740     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.231  -125.231     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.048  -128.047     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.087e-08   6.097e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.029e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.348  -136.348     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.164  -139.164     0.001     (0)  
 [14C](4)      5.010e-16
    H[14C]O3-       4.047e-16   3.702e-16   -15.393   -15.432    -0.039     (0)  
    [14C]O2         8.421e-17   8.434e-17   -16.075   -16.074     0.001     (0)  
    CaH[14C]O3+     8.546e-18   7.839e-18   -17.068   -17.106    -0.037     (0)  
-   H[14C]O2[18O]-   8.074e-19   7.387e-19   -18.093   -18.132    -0.039     (0)  
-   H[14C]O[18O]O-   8.074e-19   7.387e-19   -18.093   -18.132    -0.039     (0)  
    H[14C][18O]O2-   8.074e-19   7.387e-19   -18.093   -18.132    -0.039     (0)  
+   H[14C]O[18O]O-   8.074e-19   7.387e-19   -18.093   -18.132    -0.039     (0)  
+   H[14C]O2[18O]-   8.074e-19   7.387e-19   -18.093   -18.132    -0.039     (0)  
    Ca[14C]O3       4.685e-19   4.692e-19   -18.329   -18.329     0.001     (0)  
    [14C]O[18O]     3.502e-19   3.507e-19   -18.456   -18.455     0.001     (0)  
    [14C]O3-2       2.403e-19   1.684e-19   -18.619   -18.774    -0.155     (0)  
    CaH[14C]O2[18O]+   1.705e-20   1.564e-20   -19.768   -19.806    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.705e-20   1.564e-20   -19.768   -19.806    -0.037     (0)  
    CaH[14C][18O]O2+   1.705e-20   1.564e-20   -19.768   -19.806    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.705e-20   1.564e-20   -19.768   -19.806    -0.037     (0)  
    Ca[14C]O2[18O]   2.804e-21   2.809e-21   -20.552   -20.551     0.001     (0)  
+   H[14C][18O]O[18O]-   1.611e-21   1.474e-21   -20.793   -20.832    -0.039     (0)  
    H[14C]O[18O]2-   1.611e-21   1.474e-21   -20.793   -20.832    -0.039     (0)  
    H[14C][18O]2O-   1.611e-21   1.474e-21   -20.793   -20.832    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.611e-21   1.474e-21   -20.793   -20.832    -0.039     (0)  
    [14C]O2[18O]-2   1.438e-21   1.008e-21   -20.842   -20.997    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      7.116e-17
-   O[18O]          7.102e-17   7.114e-17   -16.149   -16.148     0.001     (0)  
-   [18O]2          7.085e-20   7.097e-20   -19.150   -19.149     0.001     (0)  
+[18O](0)      1.821e-15
+   O[18O]          1.817e-15   1.820e-15   -14.741   -14.740     0.001     (0)  
+   [18O]2          1.813e-18   1.816e-18   -17.742   -17.741     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.37   -125.23   -2.86  [13C]H4
+  [13C]H4(g)     -125.19   -128.05   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.97    -21.47   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.49   -136.35   -2.86  [14C]H4
+  [14C]H4(g)     -136.30   -139.16   -2.86  [14C]H4
   [14C]O2(g)      -14.61    -16.07   -1.47  [14C]O2
   [14C]O[18O](g)  -16.99    -18.77   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.86    -19.15   -2.29  [18O]2
+  [18O]2(g)       -15.45    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -50834,14 +50824,14 @@ O(0)          3.574e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.41   -123.27   -2.86  CH4
+  CH4(g)         -123.23   -126.09   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.17    -39.32   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.86    -13.75   -2.89  O2
-  O[18O](g)       -13.56    -16.45   -2.89  O[18O]
+  O2(g)            -9.45    -12.34   -2.89  O2
+  O[18O](g)       -12.15    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -50905,23 +50895,23 @@ Calcite                                     4.21e-02
 
      R(18O)              	 1.99521e-03	        -4.9839  permil    
      R(13C)              	 1.11477e-02	        -2.9035  permil    
-     R(14C)              	 8.48899e-14	         7.2192  pmc       
+     R(14C)              	 8.48905e-14	         7.2193  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9854  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9854  permil    
      R(13C) CO2(aq)      	 1.10680e-02	        -10.039  permil    
-     R(14C) CO2(aq)      	 8.36783e-14	         7.1162  pmc       
+     R(14C) CO2(aq)      	 8.36789e-14	         7.1162  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9854  permil    
      R(13C) HCO3-        	 1.11642e-02	        -1.4267  permil    
-     R(14C) HCO3-        	 8.51407e-14	         7.2405  pmc       
+     R(14C) HCO3-        	 8.51412e-14	         7.2406  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9854  permil    
      R(13C) CO3-2        	 1.11482e-02	        -2.8598  permil    
-     R(14C) CO3-2        	 8.48965e-14	         7.2198  pmc       
+     R(14C) CO3-2        	 8.48970e-14	         7.2198  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.661  permil    
      R(13C) Calcite      	 1.11864e-02	         0.5511  permil    
-     R(14C) Calcite      	 8.54783e-14	         7.2693  pmc       
+     R(14C) Calcite      	 8.54788e-14	         7.2693  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -50931,12 +50921,12 @@ Calcite                                     4.21e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2546e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2689e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.4425e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6509e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6604e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -50956,14 +50946,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.029      Adjusted to redox equilibrium
+                                       pe  =  11.446      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -50978,24 +50968,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -122.741  -122.740     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.076  -126.075     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -51003,50 +50993,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          1.311e-39
-   H2              6.555e-40   6.565e-40   -39.183   -39.183     0.001     (0)  
-O(0)          1.931e-14
-   O2              9.616e-15   9.632e-15   -14.017   -14.016     0.001     (0)  
-   O[18O]          3.837e-17   3.843e-17   -16.416   -16.415     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.017   -40.017     0.001     (0)  
+O(0)          8.982e-13
+   O2              4.473e-13   4.480e-13   -12.349   -12.349     0.001     (0)  
+   O[18O]          1.785e-15   1.788e-15   -14.748   -14.748     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -124.697  -124.696     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.032  -128.031     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -135.818  -135.817     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.153  -139.153     0.001     (0)  
 [14C](4)      4.957e-16
    H[14C]O3-       4.005e-16   3.664e-16   -15.397   -15.436    -0.039     (0)  
-   [14C]O2         8.333e-17   8.346e-17   -16.079   -16.079     0.001     (0)  
+   [14C]O2         8.333e-17   8.346e-17   -16.079   -16.078     0.001     (0)  
    CaH[14C]O3+     8.456e-18   7.757e-18   -17.073   -17.110    -0.037     (0)  
-   H[14C]O2[18O]-   7.990e-19   7.310e-19   -18.097   -18.136    -0.039     (0)  
-   H[14C]O[18O]O-   7.990e-19   7.310e-19   -18.097   -18.136    -0.039     (0)  
    H[14C][18O]O2-   7.990e-19   7.310e-19   -18.097   -18.136    -0.039     (0)  
+   H[14C]O[18O]O-   7.990e-19   7.310e-19   -18.097   -18.136    -0.039     (0)  
+   H[14C]O2[18O]-   7.990e-19   7.310e-19   -18.097   -18.136    -0.039     (0)  
    Ca[14C]O3       4.636e-19   4.643e-19   -18.334   -18.333     0.001     (0)  
    [14C]O[18O]     3.465e-19   3.471e-19   -18.460   -18.460     0.001     (0)  
    [14C]O3-2       2.378e-19   1.666e-19   -18.624   -18.778    -0.155     (0)  
    CaH[14C]O2[18O]+   1.687e-20   1.548e-20   -19.773   -19.810    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.687e-20   1.548e-20   -19.773   -19.810    -0.037     (0)  
    CaH[14C][18O]O2+   1.687e-20   1.548e-20   -19.773   -19.810    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.687e-20   1.548e-20   -19.773   -19.810    -0.037     (0)  
    Ca[14C]O2[18O]   2.775e-21   2.779e-21   -20.557   -20.556     0.001     (0)  
    H[14C]O[18O]2-   1.594e-21   1.458e-21   -20.797   -20.836    -0.039     (0)  
    H[14C][18O]2O-   1.594e-21   1.458e-21   -20.797   -20.836    -0.039     (0)  
@@ -51055,29 +51045,29 @@ O(0)          1.931e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.845e-17
-   O[18O]          3.837e-17   3.843e-17   -16.416   -16.415     0.001     (0)  
-   [18O]2          3.828e-20   3.834e-20   -19.417   -19.416     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.788e-15
+   O[18O]          1.785e-15   1.788e-15   -14.748   -14.748     0.001     (0)  
+   [18O]2          1.781e-18   1.784e-18   -17.749   -17.749     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -121.84   -124.70   -2.86  [13C]H4
+  [13C]H4(g)     -125.17   -128.03   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.97    -21.48   -1.50  [14C][18O]2
-  [14C]H4(g)     -132.96   -135.82   -2.86  [14C]H4
+  [14C]H4(g)     -136.29   -139.15   -2.86  [14C]H4
   [14C]O2(g)      -14.61    -16.08   -1.47  [14C]O2
   [14C]O[18O](g)  -16.99    -18.78   -1.79  [14C]O[18O]
-  [18O]2(g)       -17.13    -19.42   -2.29  [18O]2
+  [18O]2(g)       -15.46    -17.75   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -51091,14 +51081,14 @@ O(0)          1.931e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -119.88   -122.74   -2.86  CH4
+  CH4(g)         -123.22   -126.08   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.03    -39.18   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -11.12    -14.02   -2.89  O2
-  O[18O](g)       -13.82    -16.72   -2.89  O[18O]
+  O2(g)            -9.46    -12.35   -2.89  O2
+  O[18O](g)       -12.16    -15.05   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -51162,23 +51152,23 @@ Calcite                                     4.26e-02
 
      R(18O)              	 1.99521e-03	        -4.9838  permil    
      R(13C)              	 1.11479e-02	        -2.8878  permil    
-     R(14C)              	 8.40130e-14	         7.1446  pmc       
+     R(14C)              	 8.40136e-14	         7.1447  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9853  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9853  permil    
      R(13C) CO2(aq)      	 1.10681e-02	        -10.024  permil    
-     R(14C) CO2(aq)      	 8.28140e-14	         7.0427  pmc       
+     R(14C) CO2(aq)      	 8.28145e-14	         7.0427  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9853  permil    
      R(13C) HCO3-        	 1.11644e-02	        -1.4111  permil    
-     R(14C) HCO3-        	 8.42612e-14	         7.1658  pmc       
+     R(14C) HCO3-        	 8.42617e-14	         7.1658  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9853  permil    
      R(13C) CO3-2        	 1.11484e-02	        -2.8441  permil    
-     R(14C) CO3-2        	 8.40195e-14	         7.1452  pmc       
+     R(14C) CO3-2        	 8.40201e-14	         7.1452  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.661  permil    
      R(13C) Calcite      	 1.11865e-02	         0.5668  permil    
-     R(14C) Calcite      	 8.45953e-14	         7.1942  pmc       
+     R(14C) Calcite      	 8.45958e-14	         7.1942  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -51188,12 +51178,12 @@ Calcite                                     4.26e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2206e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2684e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -7.2164e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6671e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.61e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -51213,14 +51203,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.142      Adjusted to redox equilibrium
+                                       pe  =  11.449      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -51235,13 +51225,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.649  -123.649     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.103  -126.103     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -51250,9 +51240,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -51260,23 +51250,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.770e-40
-   H2              3.885e-40   3.891e-40   -39.411   -39.410     0.001     (0)  
-O(0)          5.497e-14
-   O2              2.738e-14   2.742e-14   -13.563   -13.562     0.001     (0)  
-   O[18O]          1.092e-16   1.094e-16   -15.962   -15.961     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.024   -40.023     0.001     (0)  
+O(0)          9.269e-13
+   O2              4.616e-13   4.624e-13   -12.336   -12.335     0.001     (0)  
+   O[18O]          1.842e-15   1.845e-15   -14.735   -14.734     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.605  -125.605     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.059  -128.059     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
@@ -51285,56 +51275,56 @@ O(0)          5.497e-14
    CaH[13C]O[18O]O+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.731  -136.731     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.185  -139.185     0.001     (0)  
 [14C](4)      4.906e-16
    H[14C]O3-       3.963e-16   3.626e-16   -15.402   -15.441    -0.039     (0)  
    [14C]O2         8.247e-17   8.260e-17   -16.084   -16.083     0.001     (0)  
    CaH[14C]O3+     8.369e-18   7.677e-18   -17.077   -17.115    -0.037     (0)  
-   H[14C]O2[18O]-   7.907e-19   7.234e-19   -18.102   -18.141    -0.039     (0)  
-   H[14C]O[18O]O-   7.907e-19   7.234e-19   -18.102   -18.141    -0.039     (0)  
    H[14C][18O]O2-   7.907e-19   7.234e-19   -18.102   -18.141    -0.039     (0)  
-   Ca[14C]O3       4.588e-19   4.595e-19   -18.338   -18.338     0.001     (0)  
+   H[14C]O[18O]O-   7.907e-19   7.234e-19   -18.102   -18.141    -0.039     (0)  
+   H[14C]O2[18O]-   7.907e-19   7.234e-19   -18.102   -18.141    -0.039     (0)  
+   Ca[14C]O3       4.588e-19   4.596e-19   -18.338   -18.338     0.001     (0)  
    [14C]O[18O]     3.429e-19   3.435e-19   -18.465   -18.464     0.001     (0)  
    [14C]O3-2       2.354e-19   1.649e-19   -18.628   -18.783    -0.155     (0)  
    CaH[14C]O2[18O]+   1.670e-20   1.532e-20   -19.777   -19.815    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.670e-20   1.532e-20   -19.777   -19.815    -0.037     (0)  
    CaH[14C][18O]O2+   1.670e-20   1.532e-20   -19.777   -19.815    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.670e-20   1.532e-20   -19.777   -19.815    -0.037     (0)  
    Ca[14C]O2[18O]   2.746e-21   2.751e-21   -20.561   -20.561     0.001     (0)  
-   H[14C]O[18O]2-   1.578e-21   1.443e-21   -20.802   -20.841    -0.039     (0)  
    H[14C][18O]2O-   1.578e-21   1.443e-21   -20.802   -20.841    -0.039     (0)  
    H[14C][18O]O[18O]-   1.578e-21   1.443e-21   -20.802   -20.841    -0.039     (0)  
+   H[14C]O[18O]2-   1.578e-21   1.443e-21   -20.802   -20.841    -0.039     (0)  
    [14C]O2[18O]-2   1.409e-21   9.869e-22   -20.851   -21.006    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.095e-16
-   O[18O]          1.092e-16   1.094e-16   -15.962   -15.961     0.001     (0)  
-   [18O]2          1.090e-19   1.092e-19   -18.963   -18.962     0.001     (0)  
+[18O](0)      1.846e-15
+   O[18O]          1.842e-15   1.845e-15   -14.735   -14.734     0.001     (0)  
+   [18O]2          1.838e-18   1.841e-18   -17.736   -17.735     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.74   -125.60   -2.86  [13C]H4
+  [13C]H4(g)     -125.20   -128.06   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.98    -21.48   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.87   -136.73   -2.86  [14C]H4
+  [14C]H4(g)     -136.32   -139.18   -2.86  [14C]H4
   [14C]O2(g)      -14.61    -16.08   -1.47  [14C]O2
   [14C]O[18O](g)  -17.00    -18.78   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.67    -18.96   -2.29  [18O]2
+  [18O]2(g)       -15.44    -17.74   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -51348,14 +51338,14 @@ O(0)          5.497e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.79   -123.65   -2.86  CH4
+  CH4(g)         -123.24   -126.10   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.26    -39.41   -3.15  H2
+  H2(g)           -36.87    -40.02   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.67    -13.56   -2.89  O2
-  O[18O](g)       -13.37    -16.26   -2.89  O[18O]
+  O2(g)            -9.44    -12.33   -2.89  O2
+  O[18O](g)       -12.14    -15.04   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -51419,23 +51409,23 @@ Calcite                                     4.31e-02
 
      R(18O)              	 1.99521e-03	        -4.9836  permil    
      R(13C)              	 1.11481e-02	        -2.8725  permil    
-     R(14C)              	 8.31541e-14	         7.0716  pmc       
+     R(14C)              	 8.31546e-14	         7.0716  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9851  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9851  permil    
      R(13C) CO2(aq)      	 1.10683e-02	        -10.009  permil    
-     R(14C) CO2(aq)      	 8.19673e-14	         6.9707  pmc       
+     R(14C) CO2(aq)      	 8.19678e-14	         6.9707  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9851  permil    
      R(13C) HCO3-        	 1.11646e-02	        -1.3957  permil    
-     R(14C) HCO3-        	 8.33997e-14	         7.0925  pmc       
+     R(14C) HCO3-        	 8.34002e-14	         7.0925  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9851  permil    
      R(13C) CO3-2        	 1.11486e-02	        -2.8288  permil    
-     R(14C) CO3-2        	 8.31605e-14	         7.0721  pmc       
+     R(14C) CO3-2        	 8.31610e-14	         7.0722  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.661  permil    
      R(13C) Calcite      	 1.11867e-02	        0.58218  permil    
-     R(14C) Calcite      	 8.37304e-14	         7.1206  pmc       
+     R(14C) Calcite      	 8.37309e-14	         7.1207  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -51445,12 +51435,12 @@ Calcite                                     4.31e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2582e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2721e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1             0             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.2204e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7061e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6482e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -51470,14 +51460,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.171      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -51492,24 +51482,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.876  -123.876     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.144  -126.144     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -51517,81 +51507,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.818e-40
-   H2              3.409e-40   3.415e-40   -39.467   -39.467     0.001     (0)  
-O(0)          7.138e-14
-   O2              3.555e-14   3.561e-14   -13.449   -13.448     0.001     (0)  
-   O[18O]          1.419e-16   1.421e-16   -15.848   -15.847     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.034   -40.034     0.001     (0)  
+O(0)          9.718e-13
+   O2              4.840e-13   4.848e-13   -12.315   -12.314     0.001     (0)  
+   O[18O]          1.931e-15   1.934e-15   -14.714   -14.713     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.832  -125.832     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.100  -128.100     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.585e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.212e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.912e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.309e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.963  -136.962     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.231  -139.230     0.001     (0)  
 [14C](4)      4.856e-16
    H[14C]O3-       3.923e-16   3.589e-16   -15.406   -15.445    -0.039     (0)  
    [14C]O2         8.162e-17   8.176e-17   -16.088   -16.087     0.001     (0)  
-   CaH[14C]O3+     8.283e-18   7.599e-18   -17.082   -17.119    -0.037     (0)  
-   H[14C]O2[18O]-   7.827e-19   7.160e-19   -18.106   -18.145    -0.039     (0)  
-   H[14C]O[18O]O-   7.827e-19   7.160e-19   -18.106   -18.145    -0.039     (0)  
+   CaH[14C]O3+     8.284e-18   7.599e-18   -17.082   -17.119    -0.037     (0)  
    H[14C][18O]O2-   7.827e-19   7.160e-19   -18.106   -18.145    -0.039     (0)  
-   Ca[14C]O3       4.541e-19   4.548e-19   -18.343   -18.342     0.001     (0)  
+   H[14C]O[18O]O-   7.827e-19   7.160e-19   -18.106   -18.145    -0.039     (0)  
+   H[14C]O2[18O]-   7.827e-19   7.160e-19   -18.106   -18.145    -0.039     (0)  
+   Ca[14C]O3       4.541e-19   4.549e-19   -18.343   -18.342     0.001     (0)  
    [14C]O[18O]     3.394e-19   3.400e-19   -18.469   -18.469     0.001     (0)  
    [14C]O3-2       2.329e-19   1.632e-19   -18.633   -18.787    -0.155     (0)  
    CaH[14C]O2[18O]+   1.653e-20   1.516e-20   -19.782   -19.819    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.653e-20   1.516e-20   -19.782   -19.819    -0.037     (0)  
    CaH[14C][18O]O2+   1.653e-20   1.516e-20   -19.782   -19.819    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.653e-20   1.516e-20   -19.782   -19.819    -0.037     (0)  
    Ca[14C]O2[18O]   2.718e-21   2.723e-21   -20.566   -20.565     0.001     (0)  
+   H[14C][18O]O[18O]-   1.562e-21   1.429e-21   -20.806   -20.845    -0.039     (0)  
    H[14C]O[18O]2-   1.562e-21   1.429e-21   -20.806   -20.845    -0.039     (0)  
    H[14C][18O]2O-   1.562e-21   1.429e-21   -20.806   -20.845    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.562e-21   1.429e-21   -20.806   -20.845    -0.039     (0)  
    [14C]O2[18O]-2   1.394e-21   9.768e-22   -20.856   -21.010    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.421e-16
-   O[18O]          1.419e-16   1.421e-16   -15.848   -15.847     0.001     (0)  
-   [18O]2          1.415e-19   1.417e-19   -18.849   -18.848     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.935e-15
+   O[18O]          1.931e-15   1.934e-15   -14.714   -14.713     0.001     (0)  
+   [18O]2          1.927e-18   1.930e-18   -17.715   -17.714     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.97   -125.83   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.98    -21.49   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.10   -136.96   -2.86  [14C]H4
+  [14C]H4(g)     -136.37   -139.23   -2.86  [14C]H4
   [14C]O2(g)      -14.62    -16.09   -1.47  [14C]O2
   [14C]O[18O](g)  -17.00    -18.79   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.56    -18.85   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -51605,14 +51595,14 @@ O(0)          7.138e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.02   -123.88   -2.86  CH4
+  CH4(g)         -123.28   -126.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.32    -39.47   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.56    -13.45   -2.89  O2
-  O[18O](g)       -13.26    -16.15   -2.89  O[18O]
+  O2(g)            -9.42    -12.31   -2.89  O2
+  O[18O](g)       -12.12    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -51667,7 +51657,7 @@ Calcite                                     4.36e-02
                        Ca[13C][18O]3(s)     4.14e-12     4.76e-14     9.51e-11
                            Ca[14C]O3(s)     3.55e-15     4.87e-18     8.15e-14
                       Ca[14C]O2[18O](s)     2.18e-17     3.00e-20     5.02e-16
-                      Ca[14C]O[18O]2(s)     4.48e-20     6.16e-23     1.03e-18
+                      Ca[14C]O[18O]2(s)     4.49e-20     6.16e-23     1.03e-18
                        Ca[14C][18O]3(s)     3.07e-23     4.21e-26     7.05e-22
 
 --------------------------------Isotope Ratios---------------------------------
@@ -51676,23 +51666,23 @@ Calcite                                     4.36e-02
 
      R(18O)              	 1.99521e-03	        -4.9835  permil    
      R(13C)              	 1.11483e-02	        -2.8575  permil    
-     R(14C)              	 8.23125e-14	              7  pmc       
+     R(14C)              	 8.23130e-14	         7.0001  pmc       
      R(18O) H2O(l)       	 1.99520e-03	         -4.985  permil    
      R(18O) OH-          	 1.92124e-03	        -41.873  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	         -4.985  permil    
      R(13C) CO2(aq)      	 1.10685e-02	        -9.9936  permil    
-     R(14C) CO2(aq)      	 8.11377e-14	         6.9001  pmc       
+     R(14C) CO2(aq)      	 8.11382e-14	         6.9002  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	         -4.985  permil    
      R(13C) HCO3-        	 1.11648e-02	        -1.3807  permil    
-     R(14C) HCO3-        	 8.25556e-14	         7.0207  pmc       
+     R(14C) HCO3-        	 8.25562e-14	         7.0208  pmc       
      R(18O) CO3-2        	 1.99520e-03	         -4.985  permil    
      R(13C) CO3-2        	 1.11487e-02	        -2.8138  permil    
-     R(14C) CO3-2        	 8.23189e-14	         7.0006  pmc       
+     R(14C) CO3-2        	 8.23194e-14	         7.0006  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11869e-02	        0.59725  permil    
-     R(14C) Calcite      	 8.28830e-14	         7.0485  pmc       
+     R(14C) Calcite      	 8.28835e-14	         7.0486  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -51702,12 +51692,12 @@ Calcite                                     4.36e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.236e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2206e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5554e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6365e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -51727,14 +51717,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.174      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -51749,14 +51739,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.907  -123.906     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.147  -126.146     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -51764,9 +51754,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -51774,50 +51764,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          6.700e-40
-   H2              3.350e-40   3.356e-40   -39.475   -39.474     0.001     (0)  
-O(0)          7.391e-14
-   O2              3.681e-14   3.687e-14   -13.434   -13.433     0.001     (0)  
-   O[18O]          1.469e-16   1.471e-16   -15.833   -15.832     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.035   -40.034     0.001     (0)  
+O(0)          9.745e-13
+   O2              4.853e-13   4.861e-13   -12.314   -12.313     0.001     (0)  
+   O[18O]          1.937e-15   1.940e-15   -14.713   -14.712     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.863  -125.862     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.103  -128.102     0.001     (0)  
 [13C](4)      6.510e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.090e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.090e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.090e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.090e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.090e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.997  -136.997     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.238  -139.237     0.001     (0)  
 [14C](4)      4.807e-16
    H[14C]O3-       3.883e-16   3.552e-16   -15.411   -15.449    -0.039     (0)  
    [14C]O2         8.080e-17   8.093e-17   -16.093   -16.092     0.001     (0)  
    CaH[14C]O3+     8.200e-18   7.522e-18   -17.086   -17.124    -0.037     (0)  
-   H[14C]O2[18O]-   7.747e-19   7.088e-19   -18.111   -18.149    -0.039     (0)  
-   H[14C]O[18O]O-   7.747e-19   7.088e-19   -18.111   -18.149    -0.039     (0)  
    H[14C][18O]O2-   7.747e-19   7.088e-19   -18.111   -18.149    -0.039     (0)  
+   H[14C]O[18O]O-   7.747e-19   7.088e-19   -18.111   -18.149    -0.039     (0)  
+   H[14C]O2[18O]-   7.747e-19   7.088e-19   -18.111   -18.149    -0.039     (0)  
    Ca[14C]O3       4.495e-19   4.502e-19   -18.347   -18.347     0.001     (0)  
    [14C]O[18O]     3.360e-19   3.365e-19   -18.474   -18.473     0.001     (0)  
    [14C]O3-2       2.306e-19   1.615e-19   -18.637   -18.792    -0.155     (0)  
    CaH[14C]O2[18O]+   1.636e-20   1.501e-20   -19.786   -19.824    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.636e-20   1.501e-20   -19.786   -19.824    -0.037     (0)  
    CaH[14C][18O]O2+   1.636e-20   1.501e-20   -19.786   -19.824    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.636e-20   1.501e-20   -19.786   -19.824    -0.037     (0)  
    Ca[14C]O2[18O]   2.691e-21   2.695e-21   -20.570   -20.569     0.001     (0)  
    H[14C]O[18O]2-   1.546e-21   1.414e-21   -20.811   -20.849    -0.039     (0)  
    H[14C][18O]2O-   1.546e-21   1.414e-21   -20.811   -20.849    -0.039     (0)  
@@ -51826,29 +51816,29 @@ O(0)          7.391e-14
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.472e-16
-   O[18O]          1.469e-16   1.471e-16   -15.833   -15.832     0.001     (0)  
-   [18O]2          1.465e-19   1.468e-19   -18.834   -18.833     0.001     (0)  
+[18O](0)      1.940e-15
+   O[18O]          1.937e-15   1.940e-15   -14.713   -14.712     0.001     (0)  
+   [18O]2          1.932e-18   1.935e-18   -17.714   -17.713     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.00   -125.86   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.99    -21.49   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.14   -137.00   -2.86  [14C]H4
+  [14C]H4(g)     -136.38   -139.24   -2.86  [14C]H4
   [14C]O2(g)      -14.62    -16.09   -1.47  [14C]O2
   [14C]O[18O](g)  -17.00    -18.79   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.54    -18.83   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -51862,14 +51852,14 @@ O(0)          7.391e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.05   -123.91   -2.86  CH4
+  CH4(g)         -123.29   -126.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.32    -39.47   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.54    -13.43   -2.89  O2
-  O[18O](g)       -13.24    -16.13   -2.89  O[18O]
+  O2(g)            -9.42    -12.31   -2.89  O2
+  O[18O](g)       -12.12    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -51933,23 +51923,23 @@ Calcite                                     4.41e-02
 
      R(18O)              	 1.99521e-03	        -4.9833  permil    
      R(13C)              	 1.11484e-02	        -2.8428  permil    
-     R(14C)              	 8.14878e-14	         6.9299  pmc       
+     R(14C)              	 8.14883e-14	         6.9299  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9849  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9849  permil    
      R(13C) CO2(aq)      	 1.10686e-02	         -9.979  permil    
-     R(14C) CO2(aq)      	 8.03248e-14	          6.831  pmc       
+     R(14C) CO2(aq)      	 8.03253e-14	          6.831  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	         36.889  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9849  permil    
      R(13C) HCO3-        	 1.11649e-02	        -1.3659  permil    
-     R(14C) HCO3-        	 8.17285e-14	         6.9504  pmc       
+     R(14C) HCO3-        	 8.17290e-14	         6.9504  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9849  permil    
      R(13C) CO3-2        	 1.11489e-02	        -2.7991  permil    
-     R(14C) CO3-2        	 8.14941e-14	         6.9304  pmc       
+     R(14C) CO3-2        	 8.14946e-14	         6.9305  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11870e-02	        0.61202  permil    
-     R(14C) Calcite      	 8.20526e-14	         6.9779  pmc       
+     R(14C) Calcite      	 8.20531e-14	          6.978  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -51959,12 +51949,12 @@ Calcite                                     4.41e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2564e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2405e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.5503e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6205e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.771e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -51984,14 +51974,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.128      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -52006,24 +51996,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.535  -123.534     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.143  -126.142     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -52031,23 +52021,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.298e-40
-   H2              4.149e-40   4.156e-40   -39.382   -39.381     0.001     (0)  
-O(0)          4.819e-14
-   O2              2.400e-14   2.404e-14   -13.620   -13.619     0.001     (0)  
-   O[18O]          9.577e-17   9.593e-17   -16.019   -16.018     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.034   -40.033     0.001     (0)  
+O(0)          9.700e-13
+   O2              4.831e-13   4.839e-13   -12.316   -12.315     0.001     (0)  
+   O[18O]          1.928e-15   1.931e-15   -14.715   -14.714     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.491  -125.490     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.099  -128.098     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
@@ -52056,56 +52046,56 @@ O(0)          4.819e-14
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.630  -136.630     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.238  -139.237     0.001     (0)  
 [14C](4)      4.759e-16
    H[14C]O3-       3.844e-16   3.517e-16   -15.415   -15.454    -0.039     (0)  
    [14C]O2         7.999e-17   8.012e-17   -16.097   -16.096     0.001     (0)  
-   CaH[14C]O3+     8.117e-18   7.446e-18   -17.091   -17.128    -0.037     (0)  
-   H[14C]O2[18O]-   7.670e-19   7.017e-19   -18.115   -18.154    -0.039     (0)  
-   H[14C]O[18O]O-   7.670e-19   7.017e-19   -18.115   -18.154    -0.039     (0)  
+   CaH[14C]O3+     8.118e-18   7.446e-18   -17.091   -17.128    -0.037     (0)  
    H[14C][18O]O2-   7.670e-19   7.017e-19   -18.115   -18.154    -0.039     (0)  
+   H[14C]O[18O]O-   7.670e-19   7.017e-19   -18.115   -18.154    -0.039     (0)  
+   H[14C]O2[18O]-   7.670e-19   7.017e-19   -18.115   -18.154    -0.039     (0)  
    Ca[14C]O3       4.450e-19   4.457e-19   -18.352   -18.351     0.001     (0)  
    [14C]O[18O]     3.326e-19   3.332e-19   -18.478   -18.477     0.001     (0)  
    [14C]O3-2       2.283e-19   1.599e-19   -18.642   -18.796    -0.155     (0)  
    CaH[14C]O2[18O]+   1.620e-20   1.486e-20   -19.791   -19.828    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.620e-20   1.486e-20   -19.791   -19.828    -0.037     (0)  
    CaH[14C][18O]O2+   1.620e-20   1.486e-20   -19.791   -19.828    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.620e-20   1.486e-20   -19.791   -19.828    -0.037     (0)  
    Ca[14C]O2[18O]   2.664e-21   2.668e-21   -20.575   -20.574     0.001     (0)  
-   H[14C]O[18O]2-   1.530e-21   1.400e-21   -20.815   -20.854    -0.039     (0)  
    H[14C][18O]2O-   1.530e-21   1.400e-21   -20.815   -20.854    -0.039     (0)  
    H[14C][18O]O[18O]-   1.530e-21   1.400e-21   -20.815   -20.854    -0.039     (0)  
+   H[14C]O[18O]2-   1.530e-21   1.400e-21   -20.815   -20.854    -0.039     (0)  
    [14C]O2[18O]-2   1.366e-21   9.572e-22   -20.864   -21.019    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      9.596e-17
-   O[18O]          9.577e-17   9.593e-17   -16.019   -16.018     0.001     (0)  
-   [18O]2          9.554e-20   9.570e-20   -19.020   -19.019     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.931e-15
+   O[18O]          1.928e-15   1.931e-15   -14.715   -14.714     0.001     (0)  
+   [18O]2          1.923e-18   1.926e-18   -17.716   -17.715     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.63   -125.49   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -19.99    -21.50   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.77   -136.63   -2.86  [14C]H4
+  [14C]H4(g)     -136.38   -139.24   -2.86  [14C]H4
   [14C]O2(g)      -14.63    -16.10   -1.47  [14C]O2
   [14C]O[18O](g)  -17.01    -18.80   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.73    -19.02   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -52119,14 +52109,14 @@ O(0)          4.819e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.67   -123.53   -2.86  CH4
+  CH4(g)         -123.28   -126.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.23    -39.38   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.73    -13.62   -2.89  O2
-  O[18O](g)       -13.43    -16.32   -2.89  O[18O]
+  O2(g)            -9.42    -12.32   -2.89  O2
+  O[18O](g)       -12.12    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -52190,23 +52180,23 @@ Calcite                                     4.46e-02
 
      R(18O)              	 1.99521e-03	        -4.9832  permil    
      R(13C)              	 1.11486e-02	        -2.8283  permil    
-     R(14C)              	 8.06795e-14	         6.8612  pmc       
+     R(14C)              	 8.06800e-14	         6.8612  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9847  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9847  permil    
      R(13C) CO2(aq)      	 1.10688e-02	        -9.9647  permil    
-     R(14C) CO2(aq)      	 7.95280e-14	         6.7632  pmc       
+     R(14C) CO2(aq)      	 7.95285e-14	         6.7633  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9847  permil    
      R(13C) HCO3-        	 1.11651e-02	        -1.3515  permil    
-     R(14C) HCO3-        	 8.09178e-14	         6.8814  pmc       
+     R(14C) HCO3-        	 8.09183e-14	         6.8815  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9847  permil    
      R(13C) CO3-2        	 1.11491e-02	        -2.7846  permil    
-     R(14C) CO3-2        	 8.06857e-14	         6.8617  pmc       
+     R(14C) CO3-2        	 8.06862e-14	         6.8617  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11872e-02	         0.6265  permil    
-     R(14C) Calcite      	 8.12386e-14	         6.9087  pmc       
+     R(14C) Calcite      	 8.12391e-14	         6.9088  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -52216,12 +52206,12 @@ Calcite                                     4.46e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2834e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2682e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -2.7756e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6822e-09             0
+Alpha 18O CO3-2/H2O(l)                            1     -1.56e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -52241,14 +52231,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.131      Adjusted to redox equilibrium
+                                       pe  =  11.453      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -52263,14 +52253,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.558  -123.557     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.138  -126.137     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -52278,9 +52268,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -52288,81 +52278,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.190e-40
-   H2              4.095e-40   4.102e-40   -39.388   -39.387     0.001     (0)  
-O(0)          4.948e-14
-   O2              2.464e-14   2.468e-14   -13.608   -13.608     0.001     (0)  
-   O[18O]          9.832e-17   9.848e-17   -16.007   -16.007     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.033   -40.032     0.001     (0)  
+O(0)          9.643e-13
+   O2              4.802e-13   4.810e-13   -12.319   -12.318     0.001     (0)  
+   O[18O]          1.916e-15   1.919e-15   -14.718   -14.717     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.514  -125.513     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.094  -128.093     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.251e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.583e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.657  -136.657     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.237  -139.236     0.001     (0)  
 [14C](4)      4.712e-16
    H[14C]O3-       3.806e-16   3.482e-16   -15.420   -15.458    -0.039     (0)  
    [14C]O2         7.919e-17   7.932e-17   -16.101   -16.101     0.001     (0)  
    CaH[14C]O3+     8.037e-18   7.373e-18   -17.095   -17.132    -0.037     (0)  
-   H[14C]O2[18O]-   7.594e-19   6.947e-19   -18.120   -18.158    -0.039     (0)  
-   H[14C]O[18O]O-   7.594e-19   6.947e-19   -18.120   -18.158    -0.039     (0)  
    H[14C][18O]O2-   7.594e-19   6.947e-19   -18.120   -18.158    -0.039     (0)  
+   H[14C]O[18O]O-   7.594e-19   6.947e-19   -18.120   -18.158    -0.039     (0)  
+   H[14C]O2[18O]-   7.594e-19   6.947e-19   -18.120   -18.158    -0.039     (0)  
    Ca[14C]O3       4.406e-19   4.413e-19   -18.356   -18.355     0.001     (0)  
    [14C]O[18O]     3.293e-19   3.299e-19   -18.482   -18.482     0.001     (0)  
    [14C]O3-2       2.260e-19   1.583e-19   -18.646   -18.800    -0.155     (0)  
    CaH[14C]O2[18O]+   1.604e-20   1.471e-20   -19.795   -19.832    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.604e-20   1.471e-20   -19.795   -19.832    -0.037     (0)  
    CaH[14C][18O]O2+   1.604e-20   1.471e-20   -19.795   -19.832    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.604e-20   1.471e-20   -19.795   -19.832    -0.037     (0)  
    Ca[14C]O2[18O]   2.637e-21   2.642e-21   -20.579   -20.578     0.001     (0)  
+   H[14C][18O]O[18O]-   1.515e-21   1.386e-21   -20.820   -20.858    -0.039     (0)  
    H[14C]O[18O]2-   1.515e-21   1.386e-21   -20.820   -20.858    -0.039     (0)  
    H[14C][18O]2O-   1.515e-21   1.386e-21   -20.820   -20.858    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.515e-21   1.386e-21   -20.820   -20.858    -0.039     (0)  
    [14C]O2[18O]-2   1.353e-21   9.477e-22   -20.869   -21.023    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      9.852e-17
-   O[18O]          9.832e-17   9.848e-17   -16.007   -16.007     0.001     (0)  
-   [18O]2          9.809e-20   9.825e-20   -19.008   -19.008     0.001     (0)  
+[18O](0)      1.920e-15
+   O[18O]          1.916e-15   1.919e-15   -14.718   -14.717     0.001     (0)  
+   [18O]2          1.912e-18   1.915e-18   -17.719   -17.718     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.65   -125.51   -2.86  [13C]H4
+  [13C]H4(g)     -125.23   -128.09   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.00    -21.50   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.80   -136.66   -2.86  [14C]H4
+  [14C]H4(g)     -136.38   -139.24   -2.86  [14C]H4
   [14C]O2(g)      -14.63    -16.10   -1.47  [14C]O2
   [14C]O[18O](g)  -17.01    -18.80   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.72    -19.01   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -52376,14 +52366,14 @@ O(0)          4.948e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.70   -123.56   -2.86  CH4
+  CH4(g)         -123.28   -126.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.24    -39.39   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.72    -13.61   -2.89  O2
-  O[18O](g)       -13.42    -16.31   -2.89  O[18O]
+  O2(g)            -9.43    -12.32   -2.89  O2
+  O[18O](g)       -12.13    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -52447,23 +52437,23 @@ Calcite                                     4.51e-02
 
      R(18O)              	 1.99521e-03	        -4.9831  permil    
      R(13C)              	 1.11487e-02	        -2.8142  permil    
-     R(14C)              	 7.98870e-14	         6.7938  pmc       
+     R(14C)              	 7.98875e-14	         6.7938  pmc       
      R(18O) H2O(l)       	 1.99520e-03	        -4.9846  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.023  permil    
      R(18O) O2(aq)       	 1.99520e-03	        -4.9846  permil    
      R(13C) CO2(aq)      	 1.10690e-02	        -9.9506  permil    
-     R(14C) CO2(aq)      	 7.87468e-14	         6.6968  pmc       
+     R(14C) CO2(aq)      	 7.87473e-14	         6.6968  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99520e-03	        -4.9846  permil    
      R(13C) HCO3-        	 1.11652e-02	        -1.3373  permil    
-     R(14C) HCO3-        	 8.01230e-14	         6.8138  pmc       
+     R(14C) HCO3-        	 8.01235e-14	         6.8139  pmc       
      R(18O) CO3-2        	 1.99520e-03	        -4.9846  permil    
      R(13C) CO3-2        	 1.11492e-02	        -2.7705  permil    
-     R(14C) CO3-2        	 7.98932e-14	         6.7943  pmc       
+     R(14C) CO3-2        	 7.98937e-14	         6.7943  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11874e-02	        0.64069  permil    
-     R(14C) Calcite      	 8.04407e-14	         6.8408  pmc       
+     R(14C) Calcite      	 8.04412e-14	         6.8409  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -52473,12 +52463,12 @@ Calcite                                     4.51e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2546e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2399e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -1.1102e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -6.1062e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.7424e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7556e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -52498,14 +52488,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.129      Adjusted to redox equilibrium
+                                       pe  =  11.453      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -52520,24 +52510,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.546  -123.546     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.137  -126.136     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -52545,81 +52535,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          8.245e-40
-   H2              4.123e-40   4.129e-40   -39.385   -39.384     0.001     (0)  
-O(0)          4.881e-14
-   O2              2.431e-14   2.435e-14   -13.614   -13.614     0.001     (0)  
-   O[18O]          9.700e-17   9.716e-17   -16.013   -16.013     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.033   -40.032     0.001     (0)  
+O(0)          9.637e-13
+   O2              4.799e-13   4.807e-13   -12.319   -12.318     0.001     (0)  
+   O[18O]          1.915e-15   1.918e-15   -14.718   -14.717     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.502  -125.501     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.093  -128.092     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.804e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.650  -136.649     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.241  -139.240     0.001     (0)  
 [14C](4)      4.665e-16
    H[14C]O3-       3.769e-16   3.448e-16   -15.424   -15.462    -0.039     (0)  
    [14C]O2         7.842e-17   7.855e-17   -16.106   -16.105     0.001     (0)  
    CaH[14C]O3+     7.958e-18   7.300e-18   -17.099   -17.137    -0.037     (0)  
-   H[14C]O2[18O]-   7.519e-19   6.879e-19   -18.124   -18.162    -0.039     (0)  
-   H[14C]O[18O]O-   7.519e-19   6.879e-19   -18.124   -18.162    -0.039     (0)  
    H[14C][18O]O2-   7.519e-19   6.879e-19   -18.124   -18.162    -0.039     (0)  
+   H[14C]O[18O]O-   7.519e-19   6.879e-19   -18.124   -18.162    -0.039     (0)  
+   H[14C]O2[18O]-   7.519e-19   6.879e-19   -18.124   -18.162    -0.039     (0)  
    Ca[14C]O3       4.363e-19   4.370e-19   -18.360   -18.360     0.001     (0)  
    [14C]O[18O]     3.261e-19   3.266e-19   -18.487   -18.486     0.001     (0)  
    [14C]O3-2       2.238e-19   1.568e-19   -18.650   -18.805    -0.155     (0)  
    CaH[14C]O2[18O]+   1.588e-20   1.457e-20   -19.799   -19.837    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.588e-20   1.457e-20   -19.799   -19.837    -0.037     (0)  
    CaH[14C][18O]O2+   1.588e-20   1.457e-20   -19.799   -19.837    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.588e-20   1.457e-20   -19.799   -19.837    -0.037     (0)  
    Ca[14C]O2[18O]   2.611e-21   2.616e-21   -20.583   -20.582     0.001     (0)  
-   H[14C]O[18O]2-   1.500e-21   1.372e-21   -20.824   -20.862    -0.039     (0)  
-   H[14C][18O]2O-   1.500e-21   1.372e-21   -20.824   -20.862    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.500e-21   1.372e-21   -20.824   -20.862    -0.039     (0)  
+   H[14C]O[18O]2-   1.500e-21   1.373e-21   -20.824   -20.862    -0.039     (0)  
+   H[14C][18O]2O-   1.500e-21   1.373e-21   -20.824   -20.862    -0.039     (0)  
+   H[14C][18O]O[18O]-   1.500e-21   1.373e-21   -20.824   -20.862    -0.039     (0)  
    [14C]O2[18O]-2   1.340e-21   9.384e-22   -20.873   -21.028    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      9.719e-17
-   O[18O]          9.700e-17   9.716e-17   -16.013   -16.013     0.001     (0)  
-   [18O]2          9.676e-20   9.692e-20   -19.014   -19.014     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.919e-15
+   O[18O]          1.915e-15   1.918e-15   -14.718   -14.717     0.001     (0)  
+   [18O]2          1.911e-18   1.914e-18   -17.719   -17.718     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.64   -125.50   -2.86  [13C]H4
+  [13C]H4(g)     -125.23   -128.09   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.00    -21.50   -1.50  [14C][18O]2
-  [14C]H4(g)     -133.79   -136.65   -2.86  [14C]H4
+  [14C]H4(g)     -136.38   -139.24   -2.86  [14C]H4
   [14C]O2(g)      -14.64    -16.10   -1.47  [14C]O2
   [14C]O[18O](g)  -17.02    -18.80   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.72    -19.01   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -52633,14 +52623,14 @@ O(0)          4.881e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.69   -123.55   -2.86  CH4
+  CH4(g)         -123.28   -126.14   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.23    -39.38   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.72    -13.61   -2.89  O2
-  O[18O](g)       -13.42    -16.31   -2.89  O[18O]
+  O2(g)            -9.43    -12.32   -2.89  O2
+  O[18O](g)       -12.13    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -52704,23 +52694,23 @@ Calcite                                     4.56e-02
 
      R(18O)              	 1.99521e-03	        -4.9829  permil    
      R(13C)              	 1.11489e-02	        -2.8003  permil    
-     R(14C)              	 7.91100e-14	         6.7277  pmc       
+     R(14C)              	 7.91105e-14	         6.7277  pmc       
      R(18O) H2O(l)       	 1.99521e-03	        -4.9844  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.024  permil    
      R(18O) O2(aq)       	 1.99521e-03	        -4.9844  permil    
      R(13C) CO2(aq)      	 1.10691e-02	        -9.9369  permil    
-     R(14C) CO2(aq)      	 7.79809e-14	         6.6317  pmc       
+     R(14C) CO2(aq)      	 7.79814e-14	         6.6317  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99521e-03	        -4.9844  permil    
      R(13C) HCO3-        	 1.11654e-02	        -1.3234  permil    
-     R(14C) HCO3-        	 7.93436e-14	         6.7476  pmc       
+     R(14C) HCO3-        	 7.93441e-14	         6.7476  pmc       
      R(18O) CO3-2        	 1.99521e-03	        -4.9844  permil    
      R(13C) CO3-2        	 1.11494e-02	        -2.7566  permil    
-     R(14C) CO3-2        	 7.91161e-14	         6.7282  pmc       
+     R(14C) CO3-2        	 7.91166e-14	         6.7282  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11875e-02	         0.6546  permil    
-     R(14C) Calcite      	 7.96582e-14	         6.7743  pmc       
+     R(14C) Calcite      	 7.96587e-14	         6.7743  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -52730,12 +52720,12 @@ Calcite                                     4.56e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.236e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2219e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.1078e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6528e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6663e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -52755,14 +52745,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.164      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -52777,13 +52767,13 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -123.821  -123.820     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.147  -126.146     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
@@ -52792,9 +52782,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -52802,23 +52792,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          7.039e-40
-   H2              3.520e-40   3.525e-40   -39.454   -39.453     0.001     (0)  
-O(0)          6.697e-14
-   O2              3.335e-14   3.341e-14   -13.477   -13.476     0.001     (0)  
-   O[18O]          1.331e-16   1.333e-16   -15.876   -15.875     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.035   -40.034     0.001     (0)  
+O(0)          9.746e-13
+   O2              4.854e-13   4.862e-13   -12.314   -12.313     0.001     (0)  
+   O[18O]          1.937e-15   1.940e-15   -14.713   -14.712     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -125.777  -125.776     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.103  -128.102     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
@@ -52827,56 +52817,56 @@ O(0)          6.697e-14
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -136.929  -136.928     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.255  -139.254     0.001     (0)  
 [14C](4)      4.620e-16
    H[14C]O3-       3.732e-16   3.414e-16   -15.428   -15.467    -0.039     (0)  
    [14C]O2         7.765e-17   7.778e-17   -16.110   -16.109     0.001     (0)  
    CaH[14C]O3+     7.881e-18   7.229e-18   -17.103   -17.141    -0.037     (0)  
-   H[14C]O2[18O]-   7.446e-19   6.812e-19   -18.128   -18.167    -0.039     (0)  
-   H[14C]O[18O]O-   7.446e-19   6.812e-19   -18.128   -18.167    -0.039     (0)  
    H[14C][18O]O2-   7.446e-19   6.812e-19   -18.128   -18.167    -0.039     (0)  
+   H[14C]O[18O]O-   7.446e-19   6.812e-19   -18.128   -18.167    -0.039     (0)  
+   H[14C]O2[18O]-   7.446e-19   6.812e-19   -18.128   -18.167    -0.039     (0)  
    Ca[14C]O3       4.320e-19   4.327e-19   -18.364   -18.364     0.001     (0)  
    [14C]O[18O]     3.229e-19   3.234e-19   -18.491   -18.490     0.001     (0)  
    [14C]O3-2       2.216e-19   1.553e-19   -18.654   -18.809    -0.155     (0)  
    CaH[14C]O2[18O]+   1.572e-20   1.442e-20   -19.803   -19.841    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.572e-20   1.442e-20   -19.803   -19.841    -0.037     (0)  
    CaH[14C][18O]O2+   1.572e-20   1.442e-20   -19.803   -19.841    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.572e-20   1.442e-20   -19.803   -19.841    -0.037     (0)  
    Ca[14C]O2[18O]   2.586e-21   2.590e-21   -20.587   -20.587     0.001     (0)  
-   H[14C]O[18O]2-   1.486e-21   1.359e-21   -20.828   -20.867    -0.039     (0)  
    H[14C][18O]2O-   1.486e-21   1.359e-21   -20.828   -20.867    -0.039     (0)  
    H[14C][18O]O[18O]-   1.486e-21   1.359e-21   -20.828   -20.867    -0.039     (0)  
+   H[14C]O[18O]2-   1.486e-21   1.359e-21   -20.828   -20.867    -0.039     (0)  
    [14C]O2[18O]-2   1.327e-21   9.293e-22   -20.877   -21.032    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      1.333e-16
-   O[18O]          1.331e-16   1.333e-16   -15.876   -15.875     0.001     (0)  
-   [18O]2          1.328e-19   1.330e-19   -18.877   -18.876     0.001     (0)  
+[18O](0)      1.941e-15
+   O[18O]          1.937e-15   1.940e-15   -14.713   -14.712     0.001     (0)  
+   [18O]2          1.932e-18   1.935e-18   -17.714   -17.713     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -122.92   -125.78   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.01    -21.51   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.07   -136.93   -2.86  [14C]H4
+  [14C]H4(g)     -136.39   -139.25   -2.86  [14C]H4
   [14C]O2(g)      -14.64    -16.11   -1.47  [14C]O2
   [14C]O[18O](g)  -17.02    -18.81   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.59    -18.88   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -52890,14 +52880,14 @@ O(0)          6.697e-14
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -120.96   -123.82   -2.86  CH4
+  CH4(g)         -123.29   -126.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.30    -39.45   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.58    -13.48   -2.89  O2
-  O[18O](g)       -13.28    -16.18   -2.89  O[18O]
+  O2(g)            -9.42    -12.31   -2.89  O2
+  O[18O](g)       -12.12    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -52961,23 +52951,23 @@ Calcite                                     4.61e-02
 
      R(18O)              	 1.99521e-03	        -4.9828  permil    
      R(13C)              	 1.11490e-02	        -2.7867  permil    
-     R(14C)              	 7.83479e-14	         6.6629  pmc       
+     R(14C)              	 7.83484e-14	         6.6629  pmc       
      R(18O) H2O(l)       	 1.99521e-03	        -4.9843  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.024  permil    
      R(18O) O2(aq)       	 1.99521e-03	        -4.9843  permil    
      R(13C) CO2(aq)      	 1.10693e-02	        -9.9234  permil    
-     R(14C) CO2(aq)      	 7.72297e-14	         6.5678  pmc       
+     R(14C) CO2(aq)      	 7.72302e-14	         6.5678  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99521e-03	        -4.9843  permil    
      R(13C) HCO3-        	 1.11656e-02	        -1.3098  permil    
-     R(14C) HCO3-        	 7.85793e-14	         6.6826  pmc       
+     R(14C) HCO3-        	 7.85798e-14	         6.6826  pmc       
      R(18O) CO3-2        	 1.99521e-03	        -4.9843  permil    
      R(13C) CO3-2        	 1.11495e-02	         -2.743  permil    
-     R(14C) CO3-2        	 7.83539e-14	         6.6634  pmc       
+     R(14C) CO3-2        	 7.83544e-14	         6.6634  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11877e-02	        0.66825  permil    
-     R(14C) Calcite      	 7.88909e-14	          6.709  pmc       
+     R(14C) Calcite      	 7.88914e-14	         6.7091  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -52987,12 +52977,12 @@ Calcite                                     4.61e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1    -2.261e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2466e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -4.5519e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.5463e-09             0
+Alpha 18O CO3-2/H2O(l)                            1    -1.697e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -53012,14 +53002,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.219      Adjusted to redox equilibrium
+                                       pe  =  11.454      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -53034,24 +53024,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.260  -124.260     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.147  -126.146     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -53059,81 +53049,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.466e-40
-   H2              2.733e-40   2.738e-40   -39.563   -39.563     0.001     (0)  
-O(0)          1.110e-13
-   O2              5.530e-14   5.540e-14   -13.257   -13.257     0.001     (0)  
-   O[18O]          2.207e-16   2.210e-16   -15.656   -15.656     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.035   -40.034     0.001     (0)  
+O(0)          9.749e-13
+   O2              4.855e-13   4.863e-13   -12.314   -12.313     0.001     (0)  
+   O[18O]          1.937e-15   1.941e-15   -14.713   -14.712     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.216  -126.215     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.103  -128.102     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.372  -137.372     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.259  -139.259     0.001     (0)  
 [14C](4)      4.575e-16
    H[14C]O3-       3.696e-16   3.381e-16   -15.432   -15.471    -0.039     (0)  
    [14C]O2         7.691e-17   7.703e-17   -16.114   -16.113     0.001     (0)  
-   CaH[14C]O3+     7.805e-18   7.159e-18   -17.108   -17.145    -0.037     (0)  
-   H[14C]O2[18O]-   7.374e-19   6.746e-19   -18.132   -18.171    -0.039     (0)  
-   H[14C]O[18O]O-   7.374e-19   6.746e-19   -18.132   -18.171    -0.039     (0)  
+   CaH[14C]O3+     7.805e-18   7.160e-18   -17.108   -17.145    -0.037     (0)  
    H[14C][18O]O2-   7.374e-19   6.746e-19   -18.132   -18.171    -0.039     (0)  
+   H[14C]O[18O]O-   7.374e-19   6.746e-19   -18.132   -18.171    -0.039     (0)  
+   H[14C]O2[18O]-   7.374e-19   6.746e-19   -18.132   -18.171    -0.039     (0)  
    Ca[14C]O3       4.279e-19   4.286e-19   -18.369   -18.368     0.001     (0)  
    [14C]O[18O]     3.198e-19   3.203e-19   -18.495   -18.494     0.001     (0)  
    [14C]O3-2       2.195e-19   1.538e-19   -18.659   -18.813    -0.155     (0)  
    CaH[14C]O2[18O]+   1.557e-20   1.428e-20   -19.808   -19.845    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.557e-20   1.428e-20   -19.808   -19.845    -0.037     (0)  
    CaH[14C][18O]O2+   1.557e-20   1.428e-20   -19.808   -19.845    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.557e-20   1.428e-20   -19.808   -19.845    -0.037     (0)  
    Ca[14C]O2[18O]   2.561e-21   2.565e-21   -20.592   -20.591     0.001     (0)  
+   H[14C][18O]O[18O]-   1.471e-21   1.346e-21   -20.832   -20.871    -0.039     (0)  
    H[14C]O[18O]2-   1.471e-21   1.346e-21   -20.832   -20.871    -0.039     (0)  
    H[14C][18O]2O-   1.471e-21   1.346e-21   -20.832   -20.871    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.471e-21   1.346e-21   -20.832   -20.871    -0.039     (0)  
    [14C]O2[18O]-2   1.314e-21   9.203e-22   -20.881   -21.036    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.211e-16
-   O[18O]          2.207e-16   2.210e-16   -15.656   -15.656     0.001     (0)  
-   [18O]2          2.202e-19   2.205e-19   -18.657   -18.657     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.941e-15
+   O[18O]          1.937e-15   1.941e-15   -14.713   -14.712     0.001     (0)  
+   [18O]2          1.933e-18   1.936e-18   -17.714   -17.713     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.36   -126.22   -2.86  [13C]H4
+  [13C]H4(g)     -125.24   -128.10   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.01    -21.51   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.51   -137.37   -2.86  [14C]H4
+  [14C]H4(g)     -136.40   -139.26   -2.86  [14C]H4
   [14C]O2(g)      -14.64    -16.11   -1.47  [14C]O2
   [14C]O[18O](g)  -17.03    -18.81   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.37    -18.66   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -53147,14 +53137,14 @@ O(0)          1.110e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.40   -124.26   -2.86  CH4
+  CH4(g)         -123.29   -126.15   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.41    -39.56   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.36    -13.26   -2.89  O2
-  O[18O](g)       -13.06    -15.96   -2.89  O[18O]
+  O2(g)            -9.42    -12.31   -2.89  O2
+  O[18O](g)       -12.12    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -53218,23 +53208,23 @@ Calcite                                     4.66e-02
 
      R(18O)              	 1.99521e-03	        -4.9827  permil    
      R(13C)              	 1.11492e-02	        -2.7734  permil    
-     R(14C)              	 7.76003e-14	         6.5993  pmc       
+     R(14C)              	 7.76008e-14	         6.5993  pmc       
      R(18O) H2O(l)       	 1.99521e-03	        -4.9842  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.024  permil    
      R(18O) O2(aq)       	 1.99521e-03	        -4.9842  permil    
      R(13C) CO2(aq)      	 1.10694e-02	        -9.9101  permil    
-     R(14C) CO2(aq)      	 7.64928e-14	         6.5051  pmc       
+     R(14C) CO2(aq)      	 7.64933e-14	         6.5052  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99521e-03	        -4.9842  permil    
      R(13C) HCO3-        	 1.11657e-02	        -1.2964  permil    
-     R(14C) HCO3-        	 7.78295e-14	         6.6188  pmc       
+     R(14C) HCO3-        	 7.78300e-14	         6.6188  pmc       
      R(18O) CO3-2        	 1.99521e-03	        -4.9842  permil    
      R(13C) CO3-2        	 1.11497e-02	        -2.7297  permil    
-     R(14C) CO3-2        	 7.76063e-14	         6.5998  pmc       
+     R(14C) CO3-2        	 7.76068e-14	         6.5998  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.662  permil    
      R(13C) Calcite      	 1.11878e-02	        0.68164  permil    
-     R(14C) Calcite      	 7.81382e-14	          6.645  pmc       
+     R(14C) Calcite      	 7.81387e-14	         6.6451  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -53244,12 +53234,12 @@ Calcite                                     4.66e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2632e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2795e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    -4.996e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -8.8818e-13             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6187e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6317e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -53269,14 +53259,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.245      Adjusted to redox equilibrium
+                                       pe  =  11.458      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -53291,14 +53281,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.471  -124.470     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.175  -126.174     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -53306,9 +53296,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -53316,50 +53306,50 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.842e-40
-   H2              2.421e-40   2.425e-40   -39.616   -39.615     0.001     (0)  
-O(0)          1.415e-13
-   O2              7.049e-14   7.060e-14   -13.152   -13.151     0.001     (0)  
-   O[18O]          2.813e-16   2.817e-16   -15.551   -15.550     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.042   -40.041     0.001     (0)  
+O(0)          1.006e-12
+   O2              5.012e-13   5.020e-13   -12.300   -12.299     0.001     (0)  
+   O[18O]          2.000e-15   2.003e-15   -14.699   -14.698     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.427  -126.426     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.131  -128.130     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.216    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
+   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
-   CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.587  -137.587     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.291  -139.290     0.001     (0)  
 [14C](4)      4.532e-16
    H[14C]O3-       3.661e-16   3.349e-16   -15.436   -15.475    -0.039     (0)  
    [14C]O2         7.617e-17   7.630e-17   -16.118   -16.117     0.001     (0)  
    CaH[14C]O3+     7.730e-18   7.091e-18   -17.112   -17.149    -0.037     (0)  
-   H[14C]O2[18O]-   7.304e-19   6.682e-19   -18.136   -18.175    -0.039     (0)  
-   H[14C]O[18O]O-   7.304e-19   6.682e-19   -18.136   -18.175    -0.039     (0)  
    H[14C][18O]O2-   7.304e-19   6.682e-19   -18.136   -18.175    -0.039     (0)  
+   H[14C]O[18O]O-   7.304e-19   6.682e-19   -18.136   -18.175    -0.039     (0)  
+   H[14C]O2[18O]-   7.304e-19   6.682e-19   -18.136   -18.175    -0.039     (0)  
    Ca[14C]O3       4.238e-19   4.245e-19   -18.373   -18.372     0.001     (0)  
    [14C]O[18O]     3.167e-19   3.173e-19   -18.499   -18.499     0.001     (0)  
    [14C]O3-2       2.174e-19   1.523e-19   -18.663   -18.817    -0.155     (0)  
    CaH[14C]O2[18O]+   1.542e-20   1.415e-20   -19.812   -19.849    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.542e-20   1.415e-20   -19.812   -19.849    -0.037     (0)  
    CaH[14C][18O]O2+   1.542e-20   1.415e-20   -19.812   -19.849    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.542e-20   1.415e-20   -19.812   -19.849    -0.037     (0)  
    Ca[14C]O2[18O]   2.537e-21   2.541e-21   -20.596   -20.595     0.001     (0)  
    H[14C]O[18O]2-   1.457e-21   1.333e-21   -20.836   -20.875    -0.039     (0)  
    H[14C][18O]2O-   1.457e-21   1.333e-21   -20.836   -20.875    -0.039     (0)  
@@ -53368,29 +53358,29 @@ O(0)          1.415e-13
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.818e-16
-   O[18O]          2.813e-16   2.817e-16   -15.551   -15.550     0.001     (0)  
-   [18O]2          2.806e-19   2.811e-19   -18.552   -18.551     0.001     (0)  
+[18O](0)      2.004e-15
+   O[18O]          2.000e-15   2.003e-15   -14.699   -14.698     0.001     (0)  
+   [18O]2          1.995e-18   1.998e-18   -17.700   -17.699     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.57   -126.43   -2.86  [13C]H4
+  [13C]H4(g)     -125.27   -128.13   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.01    -21.52   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.73   -137.59   -2.86  [14C]H4
+  [14C]H4(g)     -136.43   -139.29   -2.86  [14C]H4
   [14C]O2(g)      -14.65    -16.12   -1.47  [14C]O2
   [14C]O[18O](g)  -17.03    -18.82   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.26    -18.55   -2.29  [18O]2
+  [18O]2(g)       -15.41    -17.70   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -53404,14 +53394,14 @@ O(0)          1.415e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.61   -124.47   -2.86  CH4
+  CH4(g)         -123.31   -126.17   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.47    -39.62   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.26    -13.15   -2.89  O2
-  O[18O](g)       -12.96    -15.85   -2.89  O[18O]
+  O2(g)            -9.41    -12.30   -2.89  O2
+  O[18O](g)       -12.11    -15.00   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -53475,23 +53465,23 @@ Calcite                                     4.71e-02
 
      R(18O)              	 1.99521e-03	        -4.9825  permil    
      R(13C)              	 1.11493e-02	        -2.7603  permil    
-     R(14C)              	 7.68669e-14	         6.5369  pmc       
+     R(14C)              	 7.68674e-14	          6.537  pmc       
      R(18O) H2O(l)       	 1.99521e-03	         -4.984  permil    
      R(18O) OH-          	 1.92124e-03	        -41.872  permil    
      R(18O) H3O+         	 2.04134e-03	         18.024  permil    
      R(18O) O2(aq)       	 1.99521e-03	         -4.984  permil    
      R(13C) CO2(aq)      	 1.10695e-02	        -9.8971  permil    
-     R(14C) CO2(aq)      	 7.57699e-14	         6.4436  pmc       
+     R(14C) CO2(aq)      	 7.57704e-14	         6.4437  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99521e-03	         -4.984  permil    
      R(13C) HCO3-        	 1.11659e-02	        -1.2833  permil    
-     R(14C) HCO3-        	 7.70940e-14	         6.5562  pmc       
+     R(14C) HCO3-        	 7.70945e-14	         6.5563  pmc       
      R(18O) CO3-2        	 1.99521e-03	         -4.984  permil    
      R(13C) CO3-2        	 1.11498e-02	        -2.7166  permil    
-     R(14C) CO3-2        	 7.68729e-14	         6.5374  pmc       
+     R(14C) CO3-2        	 7.68734e-14	         6.5375  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.663  permil    
      R(13C) Calcite      	 1.11880e-02	        0.69477  permil    
-     R(14C) Calcite      	 7.73997e-14	         6.5822  pmc       
+     R(14C) Calcite      	 7.74002e-14	         6.5823  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -53501,12 +53491,12 @@ Calcite                                     4.71e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2444e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2297e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1   -2.5535e-12             0
+Alpha 18O HCO3-/H2O(l)                            1   -3.8858e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.8665e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.7443e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -53526,14 +53516,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.218      Adjusted to redox equilibrium
+                                       pe  =  11.453      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -53548,24 +53538,24 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.259  -124.259     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.135  -126.135     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
-   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -53573,23 +53563,23 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          5.469e-40
-   H2              2.735e-40   2.739e-40   -39.563   -39.562     0.001     (0)  
-O(0)          1.109e-13
-   O2              5.525e-14   5.534e-14   -13.258   -13.257     0.001     (0)  
-   O[18O]          2.205e-16   2.208e-16   -15.657   -15.656     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.032   -40.031     0.001     (0)  
+O(0)          9.617e-13
+   O2              4.789e-13   4.797e-13   -12.320   -12.319     0.001     (0)  
+   O[18O]          1.911e-15   1.914e-15   -14.719   -14.718     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.215  -126.215     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.091  -128.090     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
-   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C]O[18O]O-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O2[18O]-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.586e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.098e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
@@ -53598,56 +53588,56 @@ O(0)          1.109e-13
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.380  -137.379     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.256  -139.255     0.001     (0)  
 [14C](4)      4.489e-16
    H[14C]O3-       3.626e-16   3.317e-16   -15.441   -15.479    -0.039     (0)  
    [14C]O2         7.545e-17   7.558e-17   -16.122   -16.122     0.001     (0)  
    CaH[14C]O3+     7.657e-18   7.024e-18   -17.116   -17.153    -0.037     (0)  
-   H[14C]O2[18O]-   7.235e-19   6.619e-19   -18.141   -18.179    -0.039     (0)  
-   H[14C]O[18O]O-   7.235e-19   6.619e-19   -18.141   -18.179    -0.039     (0)  
    H[14C][18O]O2-   7.235e-19   6.619e-19   -18.141   -18.179    -0.039     (0)  
+   H[14C]O[18O]O-   7.235e-19   6.619e-19   -18.141   -18.179    -0.039     (0)  
+   H[14C]O2[18O]-   7.235e-19   6.619e-19   -18.141   -18.179    -0.039     (0)  
    Ca[14C]O3       4.198e-19   4.205e-19   -18.377   -18.376     0.001     (0)  
    [14C]O[18O]     3.138e-19   3.143e-19   -18.503   -18.503     0.001     (0)  
    [14C]O3-2       2.153e-19   1.509e-19   -18.667   -18.821    -0.155     (0)  
    CaH[14C]O2[18O]+   1.528e-20   1.401e-20   -19.816   -19.853    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.528e-20   1.401e-20   -19.816   -19.853    -0.037     (0)  
    CaH[14C][18O]O2+   1.528e-20   1.401e-20   -19.816   -19.853    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.528e-20   1.401e-20   -19.816   -19.853    -0.037     (0)  
    Ca[14C]O2[18O]   2.513e-21   2.517e-21   -20.600   -20.599     0.001     (0)  
-   H[14C]O[18O]2-   1.443e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
-   H[14C][18O]2O-   1.443e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.443e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
+   H[14C][18O]2O-   1.444e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
+   H[14C][18O]O[18O]-   1.444e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
+   H[14C]O[18O]2-   1.444e-21   1.321e-21   -20.841   -20.879    -0.039     (0)  
    [14C]O2[18O]-2   1.289e-21   9.029e-22   -20.890   -21.044    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      2.209e-16
-   O[18O]          2.205e-16   2.208e-16   -15.657   -15.656     0.001     (0)  
-   [18O]2          2.199e-19   2.203e-19   -18.658   -18.657     0.001     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+[18O](0)      1.915e-15
+   O[18O]          1.911e-15   1.914e-15   -14.719   -14.718     0.001     (0)  
+   [18O]2          1.907e-18   1.910e-18   -17.720   -17.719     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.35   -126.21   -2.86  [13C]H4
+  [13C]H4(g)     -125.23   -128.09   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.02    -21.52   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.52   -137.38   -2.86  [14C]H4
+  [14C]H4(g)     -136.40   -139.26   -2.86  [14C]H4
   [14C]O2(g)      -14.65    -16.12   -1.47  [14C]O2
   [14C]O[18O](g)  -17.03    -18.82   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.37    -18.66   -2.29  [18O]2
+  [18O]2(g)       -15.43    -17.72   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -53661,14 +53651,14 @@ O(0)          1.109e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.40   -124.26   -2.86  CH4
+  CH4(g)         -123.27   -126.13   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.41    -39.56   -3.15  H2
+  H2(g)           -36.88    -40.03   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.36    -13.26   -2.89  O2
-  O[18O](g)       -13.06    -15.96   -2.89  O[18O]
+  O2(g)            -9.43    -12.32   -2.89  O2
+  O[18O](g)       -12.13    -15.02   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -53732,23 +53722,23 @@ Calcite                                     4.76e-02
 
      R(18O)              	 1.99521e-03	        -4.9824  permil    
      R(13C)              	 1.11495e-02	        -2.7474  permil    
-     R(14C)              	 7.61473e-14	         6.4757  pmc       
+     R(14C)              	 7.61478e-14	         6.4758  pmc       
      R(18O) H2O(l)       	 1.99521e-03	        -4.9839  permil    
      R(18O) OH-          	 1.92124e-03	        -41.871  permil    
      R(18O) H3O+         	 2.04134e-03	         18.024  permil    
      R(18O) O2(aq)       	 1.99521e-03	        -4.9839  permil    
      R(13C) CO2(aq)      	 1.10697e-02	        -9.8844  permil    
-     R(14C) CO2(aq)      	 7.50605e-14	         6.3833  pmc       
+     R(14C) CO2(aq)      	 7.50609e-14	         6.3833  pmc       
      R(18O) CO2(aq)      	 2.07917e-03	          36.89  permil    
      R(18O) HCO3-        	 1.99521e-03	        -4.9839  permil    
      R(13C) HCO3-        	 1.11660e-02	        -1.2705  permil    
-     R(14C) HCO3-        	 7.63722e-14	         6.4949  pmc       
+     R(14C) HCO3-        	 7.63727e-14	         6.4949  pmc       
      R(18O) CO3-2        	 1.99521e-03	        -4.9839  permil    
      R(13C) CO3-2        	 1.11500e-02	        -2.7037  permil    
-     R(14C) CO3-2        	 7.61531e-14	         6.4762  pmc       
+     R(14C) CO3-2        	 7.61536e-14	         6.4763  pmc       
      R(18O) Calcite      	 2.05265e-03	         23.663  permil    
      R(13C) Calcite      	 1.11881e-02	        0.70766  permil    
-     R(14C) Calcite      	 7.66750e-14	         6.5206  pmc       
+     R(14C) Calcite      	 7.66755e-14	         6.5206  pmc       
 
 --------------------------------Isotope Alphas---------------------------------
 
@@ -53758,12 +53748,12 @@ Calcite                                     4.76e-02
 
 Alpha 18O OH-/H2O(l)                        0.96293       -37.777       -37.777
 Alpha 18O H3O+/H2O(l)                        1.0231         22.86         22.86
-Alpha 18O O2(aq)/H2O(l)                           1   -2.2703e-09             0
+Alpha 18O O2(aq)/H2O(l)                           1   -2.2555e-09             0
 Alpha 18O CO2(aq)/H2O(l)                     1.0421        41.223        41.223
-Alpha 18O HCO3-/H2O(l)                            1    4.4409e-13             0
+Alpha 18O HCO3-/H2O(l)                            1   -1.7764e-12             0
 Alpha 13C HCO3-/CO2(aq)                      1.0087        8.6622        8.6622
 Alpha 14C HCO3-/CO2(aq)                      1.0175        17.324        17.324
-Alpha 18O CO3-2/H2O(l)                            1   -1.6696e-09             0
+Alpha 18O CO3-2/H2O(l)                            1   -1.6828e-09             0
 Alpha 13C CO3-2/CO2(aq)                      1.0073        7.2261        7.2261
 Alpha 14C CO3-2/CO2(aq)                      1.0146        14.452        14.452
 Alpha 18O Calcite/H2O(l)                     1.0288        28.383        28.383
@@ -53783,14 +53773,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.989      Charge balance
-                                       pe  =  11.264      Adjusted to redox equilibrium
+                                       pe  =  11.456      Adjusted to redox equilibrium
                         Activity of water  =   0.998
                  Ionic strength (mol/kgw)  =   7.138e-03
                        Mass of water (kg)  =   9.971e-01
                  Total alkalinity (eq/kg)  =   4.902e-03
                        Total CO2 (mol/kg)  =   5.840e-03
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.821e-13
+                  Electrical balance (eq)  =   3.125e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   2
                                   Total H  = 1.110126e+02
@@ -53805,14 +53795,14 @@ Alpha 14C Calcite/CO2(aq)                    1.0215        21.282        21.282
    OH-             1.063e-07   9.713e-08    -6.973    -7.013    -0.039     (0)  
    H2O             5.556e+01   9.980e-01     1.745    -0.001     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -124.621  -124.620     0.001     (0)  
+   CH4             0.000e+00   0.000e+00  -126.160  -126.160     0.001     (0)  
 C(4)          5.840e-03
    HCO3-           4.703e-03   4.303e-03    -2.328    -2.366    -0.039     (0)  
    CO2             9.958e-04   9.974e-04    -3.002    -3.001     0.001     (0)  
    CaHCO3+         9.932e-05   9.111e-05    -4.003    -4.040    -0.037     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CO3-2           2.801e-06   1.962e-06    -5.553    -5.707    -0.155     (0)  
@@ -53820,9 +53810,9 @@ C(4)          5.840e-03
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
+   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HCO[18O]2-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    HC[18O]2O-      1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
-   HC[18O]O[18O]-   1.872e-08   1.713e-08    -7.728    -7.766    -0.039     (0)  
    CO2[18O]-2      1.677e-08   1.175e-08    -7.776    -7.930    -0.155     (0)  
 Ca            2.451e-03
    Ca+2            2.345e-03   1.659e-03    -2.630    -2.780    -0.150     (0)  
@@ -53830,81 +53820,81 @@ Ca            2.451e-03
    CaCO3           5.461e-06   5.470e-06    -5.263    -5.262     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
+   CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    Ca[13C]O3       6.088e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    CaCO2[18O]      3.268e-08   3.274e-08    -7.486    -7.485     0.001     (0)  
-H(0)          4.442e-40
-   H2              2.221e-40   2.225e-40   -39.653   -39.653     0.001     (0)  
-O(0)          1.682e-13
-   O2              8.375e-14   8.388e-14   -13.077   -13.076     0.001     (0)  
-   O[18O]          3.342e-16   3.347e-16   -15.476   -15.475     0.001     (0)  
+H(0)          0.000e+00
+   H2              0.000e+00   0.000e+00   -40.038   -40.038     0.001     (0)  
+O(0)          9.897e-13
+   O2              4.929e-13   4.937e-13   -12.307   -12.307     0.001     (0)  
+   O[18O]          1.967e-15   1.970e-15   -14.706   -14.706     0.001     (0)  
 [13C](-4)     0.000e+00
-   [13C]H4         0.000e+00   0.000e+00  -126.577  -126.576     0.001     (0)  
+   [13C]H4         0.000e+00   0.000e+00  -128.116  -128.115     0.001     (0)  
 [13C](4)      6.511e-05
    H[13C]O3-       5.252e-05   4.805e-05    -4.280    -4.318    -0.039     (0)  
    [13C]O2         1.102e-05   1.104e-05    -4.958    -4.957     0.001     (0)  
    CaH[13C]O3+     1.109e-06   1.017e-06    -5.955    -5.993    -0.037     (0)  
    H[13C]O2[18O]-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
-   H[13C]O[18O]O-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
    H[13C][18O]O2-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
+   H[13C]O[18O]O-   1.048e-07   9.587e-08    -6.980    -7.018    -0.039     (0)  
    Ca[13C]O3       6.088e-08   6.099e-08    -7.215    -7.215     0.001     (0)  
    [13C]O[18O]     4.584e-08   4.591e-08    -7.339    -7.338     0.001     (0)  
    [13C]O3-2       3.123e-08   2.188e-08    -7.505    -7.660    -0.155     (0)  
-   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C]O[18O]O+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    CaH[13C][18O]O2+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
+   CaH[13C]O2[18O]+   2.213e-09   2.030e-09    -8.655    -8.693    -0.037     (0)  
    Ca[13C]O2[18O]   3.644e-10   3.650e-10    -9.438    -9.438     0.001     (0)  
-   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
-   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    H[13C][18O]O[18O]-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C][18O]2O-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
+   H[13C]O[18O]2-   2.091e-10   1.913e-10    -9.680    -9.718    -0.039     (0)  
    [13C]O2[18O]-2   1.869e-10   1.310e-10    -9.728    -9.883    -0.155     (0)  
 [14C](-4)     0.000e+00
-   [14C]H4         0.000e+00   0.000e+00  -137.745  -137.745     0.001     (0)  
+   [14C]H4         0.000e+00   0.000e+00  -139.285  -139.284     0.001     (0)  
 [14C](4)      4.447e-16
    H[14C]O3-       3.592e-16   3.286e-16   -15.445   -15.483    -0.039     (0)  
    [14C]O2         7.475e-17   7.487e-17   -16.126   -16.126     0.001     (0)  
-   CaH[14C]O3+     7.585e-18   6.958e-18   -17.120   -17.157    -0.037     (0)  
-   H[14C]O2[18O]-   7.167e-19   6.557e-19   -18.145   -18.183    -0.039     (0)  
-   H[14C]O[18O]O-   7.167e-19   6.557e-19   -18.145   -18.183    -0.039     (0)  
+   CaH[14C]O3+     7.586e-18   6.958e-18   -17.120   -17.157    -0.037     (0)  
    H[14C][18O]O2-   7.167e-19   6.557e-19   -18.145   -18.183    -0.039     (0)  
+   H[14C]O[18O]O-   7.167e-19   6.557e-19   -18.145   -18.183    -0.039     (0)  
+   H[14C]O2[18O]-   7.167e-19   6.557e-19   -18.145   -18.183    -0.039     (0)  
    Ca[14C]O3       4.158e-19   4.165e-19   -18.381   -18.380     0.001     (0)  
    [14C]O[18O]     3.108e-19   3.113e-19   -18.507   -18.507     0.001     (0)  
    [14C]O3-2       2.133e-19   1.494e-19   -18.671   -18.826    -0.155     (0)  
    CaH[14C]O2[18O]+   1.513e-20   1.388e-20   -19.820   -19.858    -0.037     (0)  
-   CaH[14C]O[18O]O+   1.513e-20   1.388e-20   -19.820   -19.858    -0.037     (0)  
    CaH[14C][18O]O2+   1.513e-20   1.388e-20   -19.820   -19.858    -0.037     (0)  
+   CaH[14C]O[18O]O+   1.513e-20   1.388e-20   -19.820   -19.858    -0.037     (0)  
    Ca[14C]O2[18O]   2.489e-21   2.493e-21   -20.604   -20.603     0.001     (0)  
+   H[14C][18O]O[18O]-   1.430e-21   1.308e-21   -20.845   -20.883    -0.039     (0)  
    H[14C]O[18O]2-   1.430e-21   1.308e-21   -20.845   -20.883    -0.039     (0)  
    H[14C][18O]2O-   1.430e-21   1.308e-21   -20.845   -20.883    -0.039     (0)  
-   H[14C][18O]O[18O]-   1.430e-21   1.308e-21   -20.845   -20.883    -0.039     (0)  
    [14C]O2[18O]-2   1.277e-21   8.945e-22   -20.894   -21.048    -0.155     (0)  
 [18O](-2)     1.109e-01
    H2[18O]         1.108e-01   1.991e-03    -0.955    -2.701    -1.746     (0)  
    HCO2[18O]-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
-   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    HC[18O]O2-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
+   HCO[18O]O-      9.384e-06   8.586e-06    -5.028    -5.066    -0.039     (0)  
    CO[18O]         4.141e-06   4.148e-06    -5.383    -5.382     0.001     (0)  
    CaHCO2[18O]+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHCO[18O]O+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
    CaHC[18O]O2+    1.982e-07   1.818e-07    -6.703    -6.740    -0.037     (0)  
-[18O](0)      3.348e-16
-   O[18O]          3.342e-16   3.347e-16   -15.476   -15.475     0.001     (0)  
-   [18O]2          3.334e-19   3.339e-19   -18.477   -18.476     0.001     (0)  
+[18O](0)      1.971e-15
+   O[18O]          1.967e-15   1.970e-15   -14.706   -14.706     0.001     (0)  
+   [18O]2          1.962e-18   1.965e-18   -17.707   -17.707     0.001     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
   [13C][18O]2(g)   -8.85    -10.36   -1.50  [13C][18O]2
-  [13C]H4(g)     -123.72   -126.58   -2.86  [13C]H4
+  [13C]H4(g)     -125.26   -128.12   -2.86  [13C]H4
   [13C]O2(g)       -3.49     -4.96   -1.47  [13C]O2
   [13C]O[18O](g)   -5.87     -7.66   -1.79  [13C]O[18O]
   [14C][18O]2(g)  -20.02    -21.53   -1.50  [14C][18O]2
-  [14C]H4(g)     -134.88   -137.74   -2.86  [14C]H4
+  [14C]H4(g)     -136.42   -139.28   -2.86  [14C]H4
   [14C]O2(g)      -14.66    -16.13   -1.47  [14C]O2
   [14C]O[18O](g)  -17.04    -18.83   -1.79  [14C]O[18O]
-  [18O]2(g)       -16.19    -18.48   -2.29  [18O]2
+  [18O]2(g)       -15.42    -17.71   -2.29  [18O]2
   C[18O]2(g)       -6.90     -8.40   -1.50  C[18O]2
   Ca[13C][18O]3(s) -10.02     -1.86    8.16  Ca[13C][18O]3
   Ca[13C]O2[18O](s)  -4.17      3.54    7.71  Ca[13C]O2[18O]
@@ -53918,14 +53908,14 @@ O(0)          1.682e-13
   CaCO2[18O](s)    -2.22      5.49    7.71  CaCO2[18O]
   CaCO[18O]2(s)    -4.91      2.79    7.70  CaCO[18O]2
   Calcite          -0.01     -8.49   -8.48  CaCO3
-  CH4(g)         -121.76   -124.62   -2.86  CH4
+  CH4(g)         -123.30   -126.16   -2.86  CH4
   CO2(g)           -1.53     -3.00   -1.47  CO2
   CO[18O](g)       -3.91     -5.70   -1.79  CO[18O]
-  H2(g)           -36.50    -39.65   -3.15  H2
+  H2(g)           -36.89    -40.04   -3.15  H2
   H2[18O](g)       -4.21     -2.70    1.51  H2[18O]
   H2O(g)           -1.51     -0.00    1.51  H2O
-  O2(g)           -10.18    -13.08   -2.89  O2
-  O[18O](g)       -12.88    -15.78   -2.89  O[18O]
+  O2(g)            -9.41    -12.31   -2.89  O2
+  O[18O](g)       -12.11    -15.01   -2.89  O[18O]
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex21 b/phreeqc3-examples/ex21
index 28d33213..e255d814 100644
--- a/phreeqc3-examples/ex21
+++ b/phreeqc3-examples/ex21
@@ -1,6 +1,9 @@
+#DATABASE ../database/phreeqc.dat
 TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin, 2010, GCA 74, 1201
+# NEW: viscosity effects in solution and Donnan EDL, (and, possibly correct co-ion in Donnan layer to the DLVO values)
+
+KNOBS; -tol 1e-16; -diagonal_scale true
 
-KNOBS; -tol 1e-16
 SOLUTION_MASTER_SPECIES
 # element   species   alk gfw_formula element_gfw
   Hto       Hto       0.0   20        20
@@ -8,14 +11,14 @@ SOLUTION_MASTER_SPECIES
   Cl_tr     Cl_tr-    0.0   36        36
   Cs        Cs+       0.0  132.905   132.905
 SOLUTION_SPECIES
-  Hto = Hto;        log_k 0; -gamma 1e6 0;     -dw 2.236e-9
-  # Na_tr+ = Na_tr+;  log_k 0; -gamma 4.0 0.075; -dw 1.33e-9; -erm_ddl 1.23
-  # Cl_tr- = Cl_tr-;  log_k 0; -gamma 3.5 0.015; -dw 1.31e-9 # dw = dw(water) / 1.55 = 2.03e-9 / 1.55
-  # Cs+ = Cs+;        log_k 0; -gamma 3.5 0.015; -dw 2.07e-9; -erm_ddl 1.23
-# adapted for the harmonic mean calc's in version 3.4.2
-  Na_tr+ = Na_tr+;  log_k 0; -gamma 4.0 0.075; -dw 1.33e-9; -erm_ddl 1.6
-  Cl_tr- = Cl_tr-;  log_k 0; -gamma 3.5 0.015; -dw 1.18e-9 # dw = dw(water) / 1.72 = 2.03e-9 / 1.72
-  Cs+ = Cs+;        log_k 0; -gamma 3.5 0.015; -dw 2.07e-9; -erm_ddl 1.6
+# start with finding tortuosity from HTO
+  Hto = Hto;        log_k 0; -gamma 1e5   0;   -dw 2.3e-9  0 0 0 0 0 0.5 # diffusion coefficient is multiplied by (viscos_0 /viscos)^0.5, the viscosity of the DDL is calculated.
+# estimate f_free and f_DL_charge, increase tortuosity
+  Cl_tr- = Cl_tr-;  log_k 0; -gamma 3.5 0.015; -dw 1.35e-9 0 0 0 0 0 0.5 # increase tortuosity for anions: 2.03e-9 / 1.35e-9 = 1.5
+# use erm_ddl to fit Na
+  Na_tr+ = Na_tr+;  log_k 0; -gamma 4.0 0.075; -dw 1.33e-9 0 0 0 0 0 0.5 ; -erm_ddl 1.3 
+# use interlayer diffusion to fit Cs
+  Cs+ = Cs+;        log_k 0; -gamma 3.5 0.015; -dw 2.07e-9 0 0 0 0 0 0.5 ; -erm_ddl 1.3
 SURFACE_MASTER_SPECIES
   Su_fes Su_fes-   # Frayed Edge Sites
   Su_ii Su_ii-     # Type II sites of intermediate strength
@@ -49,7 +52,7 @@ SOLUTION 3 tracer solution
   pH 7.6; pe 14 O2(g) -1.0; temp 23
   Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
   Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
-# uncomment tracer concentrations and kg water 1 by 1...
+# uncomment tracer concentrations and kg water 1 by 1... (the experimental water volumes are different)
   Hto 1.14e-6;   -water 0.2
  # Cl_tr 2.505e-2; -water 0.502
  # Cs 1; Na_tr 1.87e-7; -water 1.02
@@ -78,8 +81,10 @@ USER_PUNCH
 130  rho_b_eps = 2.7 * (1 - por_clay) / por_clay  # clay bulk density / porosity / (kg/L)
 # 140  CEC = 0.12 * rho_b_eps   # CEC / (eq/L porewater)
  # adapted for the harmonic mean calc's in version 3.4.2
-140  CEC = 0.09 * rho_b_eps   # CEC / (eq/L porewater)
+140  CEC = 0.12 * rho_b_eps   # CEC / (eq/L porewater)
 150  A_por = 37e3 * rho_b_eps # pore surface area / (m²/L porewater)
+151  correct_$  = ' false'
+# 152  correct_$ =  ' true' # if 'true' correct the co-ion concentrations in the Donnan volume
 
 160  DIM tracer$(4), exp_time(4), scale_y1$(4), scale_y2$(4), profile_y1$(4), profile_y2$(4)
 170  DATA 'Hto', 'Cl_tr', 'Na_tr', 'Cs'
@@ -105,16 +110,15 @@ USER_PUNCH
 360  nfilt1 = 1               # number of cells in filter 1
 370  nfilt2 = 1               # number of cells in filter 2
 380  nclay = 11               # number of clay cells
-390  f_free = 0.117           # fraction of free pore water (0.01 - 1)
-400  f_DL_charge = 0.45       # fraction of CEC charge in electrical double layer
-410  tort_n = -0.99           # exponent in Archie's law, -1.045 without filters
+390  f_free = 0.11             # fraction of free pore water (0.01 - 1)
+400  f_DL_charge = 0.48       # fraction of CEC charge in electrical double layer
+# 400  f_free = 0.2 : f_DL_charge = 0.5  # higher f_free ===> higher f_DL_charge, found from Cl- and Na+
+410  tort_n = -1.00           # exponent in Archie's law, found from HTO
 420  G_clay = por_clay^tort_n # geometrical factor
-430  interlayer_D$ = 'false'  # 'true' or 'false' for interlayer diffusion
-# 440  G_IL = 700               # geometrical factor for clay interlayers
- # adapted for the harmonic mean calc's in version 3.4.2
-440  G_IL = 1300               # geometrical factor for clay interlayers
+430  interlayer_D$ = 'true'  # 'true' or 'false' for interlayer diffusion
+440  G_IL = 1300               # geometrical factor for clay interlayers... the initial rise of Cs suggests stagnant water, see Appelo et al for the calculation
 450  punch_time = 60 * 60 * 6 # punch time / seconds
-460  profile$ = 'true'        # 'true' or 'false' for c/x profile visualization
+460  profile$ = 'false'        # 'true' or 'false' for c/x profile visualization
 470  IF nfilt1 = 0 THEN thickn_filter1 = 0
 480  IF nfilt2 = 0 THEN thickn_filter2 = 0
 
@@ -165,7 +169,7 @@ USER_PUNCH
 900    punch nl$ + ' Su_ ' + TRIM(STR$(f_DL_charge * CEC * V_water)) + STR$(A_por) + ' ' + STR$(V_water)
 910    punch nl$ + ' Su_ii ' + TRIM(STR$(7.88e-4 * rho_b_eps * V_water))
 920    punch nl$ + ' Su_fes ' + TRIM(STR$(7.4e-5 * rho_b_eps * V_water))
-930    IF f_free < 1 THEN punch nl$ + ' -Donnan ' + TRIM(STR$((1 - f_free) * 1e-3 / A_por))
+930    IF f_free < 1 THEN punch nl$ + ' -Donnan ' + TRIM(STR$((1 - f_free) * 1e-3 / A_por)) + ' viscosity calc' + ' correct ' + correct_$
 940    punch nl$ + 'EXCHANGE ' + num$ + ' -equil ' + num$
 950    punch nl$ + ' X ' + TRIM(STR$((1 - f_DL_charge) * CEC * V_water)) + nl$
 960    r1 = r1 + x
diff --git a/phreeqc3-examples/ex21.out b/phreeqc3-examples/ex21.out
index b97d6ce4..339f19af 100644
--- a/phreeqc3-examples/ex21.out
+++ b/phreeqc3-examples/ex21.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -22,6 +23,7 @@ Reading input data for simulation 1.
 	TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin, 2010, GCA 74, 1201
 	KNOBS
 	 tolerance 1e-16
+	 diagonal_scale true
 	SOLUTION_MASTER_SPECIES
 	  Hto       Hto       0.0   20        20
 	  Na_tr     Na_tr+    0.0   22        22
@@ -30,22 +32,22 @@ Reading input data for simulation 1.
 	SOLUTION_SPECIES
 	  Hto = Hto
 	        log_k 0
-	 gamma 1e6 0
-	     dw 2.236e-9
-	  Na_tr+ = Na_tr+
-	  log_k 0
-	 gamma 4.0 0.075
-	 dw 1.33e-9
-	 erm_ddl 1.6
+	 gamma 1e5   0
+	   dw 2.3e-9  0 0 0 0 0 0.5 # diffusion coefficient is multiplied by (viscos_0 /viscos)^0.5, the viscosity of the DDL is calculated.
 	  Cl_tr- = Cl_tr-
 	  log_k 0
 	 gamma 3.5 0.015
-	 dw 1.18e-9 # dw = dw(water) / 1.72 = 2.03e-9 / 1.72
+	 dw 1.35e-9 0 0 0 0 0 0.5 # increase tortuosity for anions: 2.03e-9 / 1.35e-9 = 1.5
+	  Na_tr+ = Na_tr+
+	  log_k 0
+	 gamma 4.0 0.075
+	 dw 1.33e-9 0 0 0 0 0 0.5 
+	 erm_ddl 1.3 
 	  Cs+ = Cs+
 	        log_k 0
 	 gamma 3.5 0.015
-	 dw 2.07e-9
-	 erm_ddl 1.6
+	 dw 2.07e-9 0 0 0 0 0 0.5 
+	 erm_ddl 1.3
 	SURFACE_MASTER_SPECIES
 	  Su_fes Su_fes-   # Frayed Edge Sites
 	  Su_ii Su_ii-     # Type II sites of intermediate strength
@@ -107,7 +109,7 @@ Initial solution 0.	column with only cell 1, two boundary solutions 0 and 2.
 
                                        pH  =   7.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 123
+      Specific Conductance (µS/cm,  25°C)  = 122
                           Density (g/cm³)  =   0.99708
                                Volume (L)  =   1.00298
                         Viscosity (mPa s)  =   0.89026
@@ -197,8 +199,9 @@ Reading input data for simulation 2.
 	110  thickn_clay = r_ext - r_int # clay thickness / m
 	120  por_clay = 0.159
 	130  rho_b_eps = 2.7 * (1 - por_clay) / por_clay  # clay bulk density / porosity / (kg/L)
-	140  CEC = 0.09 * rho_b_eps   # CEC / (eq/L porewater)
+	140  CEC = 0.12 * rho_b_eps   # CEC / (eq/L porewater)
 	150  A_por = 37e3 * rho_b_eps # pore surface area / (m²/L porewater)
+	151  correct_$  = ' false'
 	160  DIM tracer$(4), exp_time(4), scale_y1$(4), scale_y2$(4), profile_y1$(4), profile_y2$(4)
 	170  DATA 'Hto', 'Cl_tr', 'Na_tr', 'Cs'
 	180  READ tracer$(1), tracer$(2), tracer$(3), tracer$(4)
@@ -216,14 +219,14 @@ Reading input data for simulation 2.
 	360  nfilt1 = 1               # number of cells in filter 1
 	370  nfilt2 = 1               # number of cells in filter 2
 	380  nclay = 11               # number of clay cells
-	390  f_free = 0.117           # fraction of free pore water (0.01 - 1)
-	400  f_DL_charge = 0.45       # fraction of CEC charge in electrical double layer
-	410  tort_n = -0.99           # exponent in Archie's law, -1.045 without filters
+	390  f_free = 0.11             # fraction of free pore water (0.01 - 1)
+	400  f_DL_charge = 0.48       # fraction of CEC charge in electrical double layer
+	410  tort_n = -1.00           # exponent in Archie's law, found from HTO
 	420  G_clay = por_clay^tort_n # geometrical factor
-	430  interlayer_D$ = 'false'  # 'true' or 'false' for interlayer diffusion
-	440  G_IL = 1300               # geometrical factor for clay interlayers
+	430  interlayer_D$ = 'true'  # 'true' or 'false' for interlayer diffusion
+	440  G_IL = 1300               # geometrical factor for clay interlayers... the initial rise of Cs suggests stagnant water, see Appelo et al for the calculation
 	450  punch_time = 60 * 60 * 6 # punch time / seconds
-	460  profile$ = 'true'        # 'true' or 'false' for c/x profile visualization
+	460  profile$ = 'false'        # 'true' or 'false' for c/x profile visualization
 	470  IF nfilt1 = 0 THEN thickn_filter1 = 0
 	480  IF nfilt2 = 0 THEN thickn_filter2 = 0
 	490  IF tot("Hto") > 1e-10 THEN tracer = 1 ELSE      IF tot("Cl_tr") > 1e-10 THEN tracer = 2 ELSE tracer = 3
@@ -264,7 +267,7 @@ Reading input data for simulation 2.
 	900    punch nl$ + ' Su_ ' + TRIM(STR$(f_DL_charge * CEC * V_water)) + STR$(A_por) + ' ' + STR$(V_water)
 	910    punch nl$ + ' Su_ii ' + TRIM(STR$(7.88e-4 * rho_b_eps * V_water))
 	920    punch nl$ + ' Su_fes ' + TRIM(STR$(7.4e-5 * rho_b_eps * V_water))
-	930    IF f_free < 1 THEN punch nl$ + ' -Donnan ' + TRIM(STR$((1 - f_free) * 1e-3 / A_por))
+	930    IF f_free < 1 THEN punch nl$ + ' -Donnan ' + TRIM(STR$((1 - f_free) * 1e-3 / A_por)) + ' viscosity calc' + ' correct ' + correct_$
 	940    punch nl$ + 'EXCHANGE ' + num$ + ' -equil ' + num$
 	950    punch nl$ + ' X ' + TRIM(STR$((1 - f_DL_charge) * CEC * V_water)) + nl$
 	960    r1 = r1 + x
@@ -433,12 +436,12 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
 
                                        pH  =   7.600    
                                        pe  =  13.120      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  23°C)  = 28957
+      Specific Conductance (µS/cm,  23°C)  = 29068
                           Density (g/cm³)  =   1.01168
-                               Volume (L)  =   0.20146
-                        Viscosity (mPa s)  =   0.96825
+                               Volume (L)  =   0.20147
+                        Viscosity (mPa s)  =   0.96935
                         Activity of water  =   0.990
-                 Ionic strength (mol/kgw)  =   3.653e-01
+                 Ionic strength (mol/kgw)  =   3.633e-01
                        Mass of water (kg)  =   2.000e-01
                     Total carbon (mol/kg)  =   4.811e-04
                        Total CO2 (mol/kg)  =   4.811e-04
@@ -454,92 +457,94 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             5.191e-07   3.419e-07    -6.285    -6.466    -0.181     -3.26
-   H+              3.238e-08   2.512e-08    -7.490    -7.600    -0.110      0.00
+   OH-             5.188e-07   3.419e-07    -6.285    -6.466    -0.181     -3.26
+   H+              3.237e-08   2.512e-08    -7.490    -7.600    -0.110      0.00
    H2O             5.551e+01   9.899e-01     1.744    -0.004     0.000     18.06
 C(4)          4.811e-04
-   HCO3-           3.809e-04   2.707e-04    -3.419    -3.568    -0.148     25.73
-   CaHCO3+         3.057e-05   2.214e-05    -4.515    -4.655    -0.140      9.84
-   NaHCO3          2.383e-05   2.891e-05    -4.623    -4.539     0.084     28.00
-   MgHCO3+         2.149e-05   1.449e-05    -4.668    -4.839    -0.171      5.70
-   CO2             1.499e-05   1.585e-05    -4.824    -4.800     0.024     34.33
-   CaCO3           4.767e-06   5.185e-06    -5.322    -5.285     0.037    -14.61
-   MgCO3           1.903e-06   2.070e-06    -5.721    -5.684     0.037    -17.09
-   CO3-2           1.901e-06   4.849e-07    -5.721    -6.314    -0.593     -1.67
-   SrHCO3+         6.993e-07   4.970e-07    -6.155    -6.304    -0.148     (0)  
-   SrCO3           3.448e-08   3.750e-08    -7.462    -7.426     0.037    -14.14
-   (CO2)2          3.964e-12   4.312e-12   -11.402   -11.365     0.037     68.67
+   HCO3-           3.911e-04   2.781e-04    -3.408    -3.556    -0.148     25.30
+   NaHCO3          3.292e-05   3.892e-05    -4.483    -4.410     0.073     31.75
+   MgHCO3+         2.266e-05   1.528e-05    -4.645    -4.816    -0.171      5.70
+   CO2             1.541e-05   1.628e-05    -4.812    -4.788     0.024     34.33
+   CaHCO3+         9.133e-06   6.615e-06    -5.039    -5.179    -0.140    122.80
+   CaCO3           4.998e-06   5.434e-06    -5.301    -5.265     0.036    -14.61
+   MgCO3           2.008e-06   2.184e-06    -5.697    -5.661     0.036    -17.09
+   CO3-2           1.949e-06   4.981e-07    -5.710    -6.303    -0.593     -1.75
+   SrHCO3+         7.330e-07   5.211e-07    -6.135    -6.283    -0.148     (0)  
+   KHCO3           1.261e-07   1.271e-07    -6.899    -6.896     0.003     41.01
+   SrCO3           3.617e-08   3.932e-08    -7.442    -7.405     0.036    -14.14
+   (CO2)2          4.185e-12   4.551e-12   -11.378   -11.342     0.036     68.67
 Ca            2.580e-02
-   Ca+2            2.384e-02   6.616e-03    -1.623    -2.179    -0.557    -17.02
-   CaSO4           1.923e-03   2.092e-03    -2.716    -2.679     0.037      7.42
-   CaHCO3+         3.057e-05   2.214e-05    -4.515    -4.655    -0.140      9.84
-   CaCO3           4.767e-06   5.185e-06    -5.322    -5.285     0.037    -14.61
-   CaOH+           5.916e-08   4.327e-08    -7.228    -7.364    -0.136     (0)  
-   CaHSO4+         4.591e-10   3.358e-10    -9.338    -9.474    -0.136     (0)  
+   Ca+2            2.429e-02   6.749e-03    -1.615    -2.171    -0.556    -17.03
+   CaSO4           1.496e-03   1.626e-03    -2.825    -2.789     0.036      7.42
+   CaHCO3+         9.133e-06   6.615e-06    -5.039    -5.179    -0.140    122.80
+   CaCO3           4.998e-06   5.434e-06    -5.301    -5.265     0.036    -14.61
+   CaOH+           6.034e-08   4.414e-08    -7.219    -7.355    -0.136     (0)  
+   CaHSO4+         3.568e-10   2.610e-10    -9.448    -9.583    -0.136     (0)  
 Cl            3.000e-01
-   Cl-             3.000e-01   2.017e-01    -0.523    -0.695    -0.172     18.53
-   HCl             1.235e-09   1.767e-09    -8.908    -8.753     0.155     (0)  
+   Cl-             3.000e-01   2.018e-01    -0.523    -0.695    -0.172     18.53
+   HCl             1.239e-09   1.768e-09    -8.907    -8.752     0.155     (0)  
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -44.617   -44.580     0.037     28.61
+   H2              0.000e+00   0.000e+00   -44.617   -44.580     0.036     28.61
 Hto           1.140e-09
    Hto             1.140e-09   1.140e-09    -8.943    -8.943     0.000     (0)  
 K             1.610e-03
-   K+              1.595e-03   1.064e-03    -2.797    -2.973    -0.176      9.40
-   KSO4-           1.464e-05   7.267e-06    -4.834    -5.139    -0.304     29.98
+   K+              1.584e-03   1.057e-03    -2.800    -2.976    -0.176      9.40
+   KSO4-           2.634e-05   2.195e-05    -4.579    -4.659    -0.079     13.22
+   KHCO3           1.261e-07   1.271e-07    -6.899    -6.896     0.003     41.01
 Mg            1.690e-02
-   Mg+2            1.509e-02   4.612e-03    -1.821    -2.336    -0.515    -20.64
-   MgSO4           1.750e-03   2.071e-03    -2.757    -2.684     0.073     -1.17
-   Mg(SO4)2-2      4.016e-05   1.278e-05    -4.396    -4.894    -0.497     46.11
-   MgHCO3+         2.149e-05   1.449e-05    -4.668    -4.839    -0.171      5.70
-   MgCO3           1.903e-06   2.070e-06    -5.721    -5.684     0.037    -17.09
-   MgOH+           7.495e-07   5.502e-07    -6.125    -6.259    -0.134     (0)  
+   Mg+2            1.548e-02   4.737e-03    -1.810    -2.325    -0.514    -20.64
+   MgSO4           1.371e-03   1.620e-03    -2.863    -2.790     0.073     -8.62
+   Mg(SO4)2-2      2.392e-05   7.620e-06    -4.621    -5.118    -0.497     27.97
+   MgHCO3+         2.266e-05   1.528e-05    -4.645    -4.816    -0.171      5.70
+   MgCO3           2.008e-06   2.184e-06    -5.697    -5.661     0.036    -17.09
+   MgOH+           7.694e-07   5.651e-07    -6.114    -6.248    -0.134     (0)  
 Na            2.400e-01
-   Na+             2.374e-01   1.721e-01    -0.624    -0.764    -0.140     -0.85
-   NaSO4-          2.562e-03   1.263e-03    -2.591    -2.899    -0.307     18.52
-   NaHCO3          2.383e-05   2.891e-05    -4.623    -4.539     0.084     28.00
-   NaOH            5.408e-18   5.883e-18   -17.267   -17.230     0.037     (0)  
-O(0)          2.437e-04
-   O2              1.218e-04   1.325e-04    -3.914    -3.878     0.037     30.24
+   Na+             2.347e-01   1.701e-01    -0.629    -0.769    -0.140     -0.85
+   NaSO4-          5.251e-03   3.746e-03    -2.280    -2.426    -0.147      2.97
+   NaHCO3          3.292e-05   3.892e-05    -4.483    -4.410     0.073     31.75
+   NaOH            5.351e-18   5.818e-18   -17.272   -17.235     0.036     (0)  
+O(0)          2.438e-04
+   O2              1.219e-04   1.325e-04    -3.914    -3.878     0.036     30.24
 S(6)          1.410e-02
-   SO4-2           7.729e-03   1.805e-03    -2.112    -2.743    -0.632     16.64
-   NaSO4-          2.562e-03   1.263e-03    -2.591    -2.899    -0.307     18.52
-   CaSO4           1.923e-03   2.092e-03    -2.716    -2.679     0.037      7.42
-   MgSO4           1.750e-03   2.071e-03    -2.757    -2.684     0.073     -1.17
-   SrSO4           4.061e-05   4.418e-05    -4.391    -4.355     0.037     24.16
-   Mg(SO4)2-2      4.016e-05   1.278e-05    -4.396    -4.894    -0.497     46.11
-   KSO4-           1.464e-05   7.267e-06    -4.834    -5.139    -0.304     29.98
-   HSO4-           5.771e-09   4.222e-09    -8.239    -8.374    -0.136     40.64
-   CaHSO4+         4.591e-10   3.358e-10    -9.338    -9.474    -0.136     (0)  
+   SO4-2           5.877e-03   1.376e-03    -2.231    -2.862    -0.631     32.29
+   NaSO4-          5.251e-03   3.746e-03    -2.280    -2.426    -0.147      2.97
+   CaSO4           1.496e-03   1.626e-03    -2.825    -2.789     0.036      7.42
+   MgSO4           1.371e-03   1.620e-03    -2.863    -2.790     0.073     -8.62
+   SrSO4           3.160e-05   3.436e-05    -4.500    -4.464     0.036     24.16
+   KSO4-           2.634e-05   2.195e-05    -4.579    -4.659    -0.079     13.22
+   Mg(SO4)2-2      2.392e-05   7.620e-06    -4.621    -5.118    -0.497     27.97
+   HSO4-           4.398e-09   3.217e-09    -8.357    -8.493    -0.136     40.64
+   CaHSO4+         3.568e-10   2.610e-10    -9.448    -9.583    -0.136     (0)  
 Sr            5.050e-04
-   Sr+2            4.637e-04   1.285e-04    -3.334    -3.891    -0.557    -16.73
-   SrSO4           4.061e-05   4.418e-05    -4.391    -4.355     0.037     24.16
-   SrHCO3+         6.993e-07   4.970e-07    -6.155    -6.304    -0.148     (0)  
-   SrCO3           3.448e-08   3.750e-08    -7.462    -7.426     0.037    -14.14
-   SrOH+           3.705e-10   2.598e-10    -9.431    -9.585    -0.154     (0)  
+   Sr+2            4.726e-04   1.312e-04    -3.325    -3.882    -0.557    -16.74
+   SrSO4           3.160e-05   3.436e-05    -4.500    -4.464     0.036     24.16
+   SrHCO3+         7.330e-07   5.211e-07    -6.135    -6.283    -0.148     (0)  
+   SrCO3           3.617e-08   3.932e-08    -7.442    -7.405     0.036    -14.14
+   SrOH+           3.780e-10   2.652e-10    -9.422    -9.576    -0.154     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(296 K,   1 atm)
 
-  Anhydrite        -0.67     -4.92   -4.26  CaSO4
-  Aragonite        -0.17     -8.49   -8.32  CaCO3
-  Arcanite         -6.78     -8.69   -1.91  K2SO4
-  Calcite          -0.03     -8.49   -8.47  CaCO3
-  Celestite         0.01     -6.63   -6.65  SrSO4
-  CO2(g)           -3.36     -4.80   -1.44  CO2
-  Dolomite         -0.09    -17.14  -17.05  CaMg(CO3)2
-  Epsomite         -3.36     -5.11   -1.75  MgSO4:7H2O
-  Gypsum           -0.35     -4.93   -4.58  CaSO4:2H2O
+  Anhydrite        -0.78     -5.03   -4.26  CaSO4
+  Aragonite        -0.15     -8.47   -8.32  CaCO3
+  Arcanite         -6.91     -8.81   -1.91  K2SO4
+  Calcite          -0.01     -8.47   -8.47  CaCO3
+  Celestite        -0.10     -6.74   -6.65  SrSO4
+  CO2(g)           -3.34     -4.79   -1.44  CO2
+  Dolomite         -0.05    -17.10  -17.05  CaMg(CO3)2
+  Epsomite         -3.47     -5.22   -1.75  MgSO4:7H2O
+  Gypsum           -0.46     -5.04   -4.58  CaSO4:2H2O
   H2(g)           -41.48    -44.58   -3.10  H2
   H2O(g)           -1.56     -0.00    1.55  H2O
   Halite           -3.03     -1.46    1.57  NaCl
-  Hexahydrite      -3.54     -5.11   -1.57  MgSO4:6H2O
-  Kieserite        -3.91     -5.08   -1.17  MgSO4:H2O
-  Mirabilite       -2.99     -4.32   -1.33  Na2SO4:10H2O
+  Hexahydrite      -3.64     -5.21   -1.57  MgSO4:6H2O
+  Kieserite        -4.02     -5.19   -1.17  MgSO4:H2O
+  Mirabilite       -3.12     -4.44   -1.33  Na2SO4:10H2O
   O2(g)            -1.00     -3.88   -2.88  O2	 Pressure   0.1 atm, phi 1.000
-  Strontianite     -0.94    -10.21   -9.27  SrCO3
+  Strontianite     -0.92    -10.18   -9.27  SrCO3
   Sylvite          -4.56     -3.67    0.89  KCl
-  Thenardite       -3.98     -4.27   -0.29  Na2SO4
+  Thenardite       -4.11     -4.40   -0.29  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -574,7 +579,7 @@ Reading input data for simulation 3.
 	 Fe(2) 0.0
 	 Alkalinity 0.476
 	SOLUTION 5
-	 water   7.7322e-05	
+	 water   7.2695e-05	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -589,15 +594,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 5
 	 equilibrate 5
-	 Su_ 3.8224e-04  5.2840e+05   6.6087e-04	
+	 Su_ 5.4363e-04  5.2840e+05   6.6087e-04	
 	 Su_ii 7.4371e-06	
 	 Su_fes 6.9841e-07	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 5
 	 equilibrate 5
-	 X 4.6718e-04
+	 X 5.8893e-04
 	SOLUTION 6
-	 water   9.5113e-05	
+	 water   8.9423e-05	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -612,15 +617,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 6
 	 equilibrate 6
-	 Su_ 4.7019e-04  5.2840e+05   8.1293e-04	
+	 Su_ 6.6871e-04  5.2840e+05   8.1293e-04	
 	 Su_ii 9.1484e-06	
 	 Su_fes 8.5911e-07	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 6
 	 equilibrate 6
-	 X 5.7468e-04
+	 X 7.2444e-04
 	SOLUTION 7
-	 water   1.1291e-04	
+	 water   1.0615e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -635,15 +640,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 7
 	 equilibrate 7
-	 Su_ 5.5814e-04  5.2840e+05   9.6500e-04	
+	 Su_ 7.9380e-04  5.2840e+05   9.6500e-04	
 	 Su_ii 1.0860e-05	
 	 Su_fes 1.0198e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 7
 	 equilibrate 7
-	 X 6.8218e-04
+	 X 8.5995e-04
 	SOLUTION 8
-	 water   1.3070e-04	
+	 water   1.2288e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -658,15 +663,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 8
 	 equilibrate 8
-	 Su_ 6.4610e-04  5.2840e+05   1.1171e-03	
+	 Su_ 9.1889e-04  5.2840e+05   1.1171e-03	
 	 Su_ii 1.2571e-05	
 	 Su_fes 1.1805e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 8
 	 equilibrate 8
-	 X 7.8967e-04
+	 X 9.9547e-04
 	SOLUTION 9
-	 water   1.4849e-04	
+	 water   1.3960e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -681,15 +686,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 9
 	 equilibrate 9
-	 Su_ 7.3405e-04  5.2840e+05   1.2691e-03	
+	 Su_ 1.0440e-03  5.2840e+05   1.2691e-03	
 	 Su_ii 1.4282e-05	
 	 Su_fes 1.3412e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 9
 	 equilibrate 9
-	 X 8.9717e-04
+	 X 1.1310e-03
 	SOLUTION 10
-	 water   1.6628e-04	
+	 water   1.5633e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -704,15 +709,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 10
 	 equilibrate 10
-	 Su_ 8.2200e-04  5.2840e+05   1.4212e-03	
+	 Su_ 1.1691e-03  5.2840e+05   1.4212e-03	
 	 Su_ii 1.5994e-05	
 	 Su_fes 1.5019e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 10
 	 equilibrate 10
-	 X 1.0047e-03
+	 X 1.2665e-03
 	SOLUTION 11
-	 water   1.8407e-04	
+	 water   1.7306e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -727,15 +732,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 11
 	 equilibrate 11
-	 Su_ 9.0996e-04  5.2840e+05   1.5733e-03	
+	 Su_ 1.2942e-03  5.2840e+05   1.5733e-03	
 	 Su_ii 1.7705e-05	
 	 Su_fes 1.6626e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 11
 	 equilibrate 11
-	 X 1.1122e-03
+	 X 1.4020e-03
 	SOLUTION 12
-	 water   2.0186e-04	
+	 water   1.8979e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -750,15 +755,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 12
 	 equilibrate 12
-	 Su_ 9.9791e-04  5.2840e+05   1.7253e-03	
+	 Su_ 1.4192e-03  5.2840e+05   1.7253e-03	
 	 Su_ii 1.9416e-05	
 	 Su_fes 1.8233e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 12
 	 equilibrate 12
-	 X 1.2197e-03
+	 X 1.5375e-03
 	SOLUTION 13
-	 water   2.1966e-04	
+	 water   2.0651e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -773,15 +778,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 13
 	 equilibrate 13
-	 Su_ 1.0859e-03  5.2840e+05   1.8774e-03	
+	 Su_ 1.5443e-03  5.2840e+05   1.8774e-03	
 	 Su_ii 2.1127e-05	
 	 Su_fes 1.9840e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 13
 	 equilibrate 13
-	 X 1.3272e-03
+	 X 1.6730e-03
 	SOLUTION 14
-	 water   2.3745e-04	
+	 water   2.2324e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -796,15 +801,15 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 14
 	 equilibrate 14
-	 Su_ 1.1738e-03  5.2840e+05   2.0295e-03	
+	 Su_ 1.6694e-03  5.2840e+05   2.0295e-03	
 	 Su_ii 2.2839e-05	
 	 Su_fes 2.1448e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 14
 	 equilibrate 14
-	 X 1.4347e-03
+	 X 1.8085e-03
 	SOLUTION 15
-	 water   2.5524e-04	
+	 water   2.3997e-04	
 	 pH 7.6
 	 pe 14 O2(g) -1.0
 	 temp 23
@@ -819,13 +824,13 @@ Reading input data for simulation 3.
 	 Alkalinity 0.476	
 	SURFACE 15
 	 equilibrate 15
-	 Su_ 1.2618e-03  5.2840e+05   2.1815e-03	
+	 Su_ 1.7945e-03  5.2840e+05   2.1815e-03	
 	 Su_ii 2.4550e-05	
 	 Su_fes 2.3055e-06	
-	 donnan 1.6711e-09	
+	 donnan 1.6843e-09 viscosity calc correct  false	
 	EXCHANGE 15
 	 equilibrate 15
-	 X 1.5422e-03
+	 X 1.9441e-03
 	SOLUTION 16
 	 water   5.0266e-03	
 	 pH 7.6
@@ -874,29 +879,29 @@ Reading input data for simulation 3.
 	MIX 3
 	           4  6.6932e-04	
 	MIX 4
-	           5  1.9640e-04	
+	           5  1.9357e-04	
 	MIX 5
-	           6  1.5725e-04	
+	           6  1.5439e-04	
 	MIX 6
-	           7  1.8971e-04	
+	           7  1.8625e-04	
 	MIX 7
-	           8  2.2216e-04	
+	           8  2.1811e-04	
 	MIX 8
-	           9  2.5461e-04	
+	           9  2.4997e-04	
 	MIX 9
-	          10  2.8706e-04	
+	          10  2.8183e-04	
 	MIX 10
-	          11  3.1951e-04	
+	          11  3.1369e-04	
 	MIX 11
-	          12  3.5196e-04	
+	          12  3.4555e-04	
 	MIX 12
-	          13  3.8441e-04	
+	          13  3.7741e-04	
 	MIX 13
-	          14  4.1686e-04	
+	          14  4.0927e-04	
 	MIX 14
-	          15  4.4931e-04	
+	          15  4.4113e-04	
 	MIX 15
-	          16  7.7653e-04	
+	          16  7.6509e-04	
 	MIX 16
 	          17  4.2533e-03	        
 	END	  
@@ -908,8 +913,8 @@ Reading input data for simulation 3.
 	 bcond 1 2
 	 stagnant 15	
 	 timest   1.5429e+03	
-	 multi_d true   2.5000e-09  1.5900e-01 0.0 9.9000e-01	
-	 interlayer_d false 0.001 0.0 1300	
+	 multi_d true   2.5000e-09  1.5900e-01 0.0 1	
+	 interlayer_d true 0.001 0.0 1300	
 	 punch_frequency 14
 	 punch_cells 17	
 	USER_GRAPH 1 Example 21
@@ -928,245 +933,9 @@ WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
 	 50 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) / dt /  8.2988e-03, color = Green, symbol = None	
 	 60 put(a, 2)	
 	 70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None	        
-	END	  
+	END	
 WARNING: 
 Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns...
 
 
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-WARNING: Maximum iterations exceeded, 100
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying smaller step size, pe step size 10, 5 ... 
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-17 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-15 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying diagonal scaling ...
-
-	TRANSPORT	 
-	 shifts 0	
-	 punch_frequency 2
-	 punch_cells 3-17	
-	USER_GRAPH 1
-WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
-	 -detach	
-	USER_GRAPH 5 Example 21
-	 -chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"	
-	 -axis_scale x_axis 0 2.2220e+01	
-	 -axis_scale y_axis 0 1.2e-9	
-	 -axis_scale sy_axis 0 1.2e-9	
-	 -axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"	
-	 -headings Hto_free Hto_tot	
-	 -plot_concentration_vs x	
-	 -initial_solutions true	
-	 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)	
-	 20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60	
-	 30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03	
-	 40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03	
-	 50 GOTO 200	
-	 60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03	
-	 70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90	
-	 80 GOTO 200	
-	 90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03	
-	 100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03	
-	 110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03	
-	 200 y1 = TOT("Hto")	
-	 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus	
-	 220 IF cell_no = 3 THEN put(y1, 15)	
-	 230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400	
-	 240 y2 = SYS("Hto") / (tot("water") + edl("water"))	
-	 250 REM y2 = y2 / 1.4281e+01# conc / kg solid	
-	 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2	
-	 270 IF (cell_no > 6) THEN GOTO 400	
-	 280 IF 1 THEN plot_xy 1.8000e+00, get(15), color = Black, symbol = None	
-	 290 IF 1 THEN plot_xy 2.0620e+01, get(15), color = Black, symbol = None	
-	 300 put(0, 15)	
-	 400 put(xval, 14)	        
-	END	
-WARNING: 
-Calculating transport: 1 (mobile) cells, 0 shifts, 1 mixruns...
-
-
 	END
diff --git a/phreeqc3-examples/ex22.out b/phreeqc3-examples/ex22.out
index f5e62278..baa2a407 100644
--- a/phreeqc3-examples/ex22.out
+++ b/phreeqc3-examples/ex22.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -243,11 +244,11 @@ H2O(g)            -1.45   3.586e-02  0.878   1.285e-03   1.587e-03   3.014e-04
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.368      Charge balance
-                                       pe  =  14.674      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 171
+                                       pe  =  14.672      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 165
                           Density (g/cm³)  =   1.00156
                                Volume (L)  =   1.01670
-                        Viscosity (mPa s)  =   0.89000
+                        Viscosity (mPa s)  =   0.89006
                         Activity of water  =   0.993
                  Ionic strength (mol/kgw)  =   4.384e-04
                        Mass of water (kg)  =   1.000e+00
@@ -270,22 +271,22 @@ H2O(g)            -1.45   3.586e-02  0.878   1.285e-03   1.587e-03   3.014e-04
    OH-             2.430e-11   2.372e-11   -10.614   -10.625    -0.010     -4.07
    H2O             5.551e+01   9.930e-01     1.744    -0.003     0.000     18.06
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.338  -120.338     0.000     35.47
+   CH4             0.000e+00   0.000e+00  -120.321  -120.321     0.000     35.47
 C(4)          4.161e-01
    CO2             4.095e-01   4.096e-01    -0.388    -0.388     0.000     34.43
    (CO2)2          3.079e-03   3.079e-03    -2.512    -2.512     0.000     68.85
-   HCO3-           4.384e-04   4.282e-04    -3.358    -3.368    -0.010     24.55
-   CO3-2           5.227e-11   4.755e-11   -10.282   -10.323    -0.041     -4.00
-H(0)          1.149e-39
-   H2              5.743e-40   5.743e-40   -39.241   -39.241     0.000     28.60
-O(0)          2.429e-14
-   O2              1.214e-14   1.214e-14   -13.916   -13.916     0.000     30.38
+   HCO3-           4.384e-04   4.282e-04    -3.358    -3.368    -0.010     24.61
+   CO3-2           5.227e-11   4.754e-11   -10.282   -10.323    -0.041     -3.86
+H(0)          1.160e-39
+   H2              5.798e-40   5.798e-40   -39.237   -39.237     0.000     28.60
+O(0)          2.383e-14
+   O2              1.191e-14   1.192e-14   -13.924   -13.924     0.000     30.38
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  13 atm)
 
-  CH4(g)         -117.53   -120.34   -2.81  CH4
+  CH4(g)         -117.51   -120.32   -2.81  CH4
   CO2(g)            1.09     -0.39   -1.48  CO2	 Pressure  13.2 atm, phi 0.928
   H2(g)           -36.13    -39.24   -3.11  H2
   H2O(g)           -1.50     -0.00    1.50  H2O	 Pressure   0.0 atm, phi 0.878
@@ -337,13 +338,13 @@ H2O(g)            -1.38   4.125e-02  0.766   1.587e-03   1.998e-03   4.108e-04
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.241      Charge balance
-                                       pe  =  14.739      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 231
+                                       pe  =  14.793      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 218
                           Density (g/cm³)  =   1.00523
                                Volume (L)  =   1.02762
-                        Viscosity (mPa s)  =   0.88987
+                        Viscosity (mPa s)  =   0.88995
                         Activity of water  =   0.987
-                 Ionic strength (mol/kgw)  =   5.902e-04
+                 Ionic strength (mol/kgw)  =   5.901e-04
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   7.506e-01
@@ -360,30 +361,30 @@ H2O(g)            -1.38   4.125e-02  0.766   1.587e-03   1.998e-03   4.108e-04
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.902e-04   5.747e-04    -3.229    -3.241    -0.012      0.00
-   OH-             1.828e-11   1.779e-11   -10.738   -10.750    -0.012     -4.02
+   H+              5.901e-04   5.746e-04    -3.229    -3.241    -0.012      0.00
+   OH-             1.829e-11   1.779e-11   -10.738   -10.750    -0.012     -4.02
    H2O             5.551e+01   9.874e-01     1.744    -0.006     0.000     18.05
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.592  -119.592     0.000     35.49
+   CH4             0.000e+00   0.000e+00  -120.022  -120.022     0.000     35.49
 C(4)          7.506e-01
    CO2             7.304e-01   7.304e-01    -0.136    -0.136     0.000     34.42
    (CO2)2          9.792e-03   9.794e-03    -2.009    -2.009     0.000     68.84
-   HCO3-           5.902e-04   5.742e-04    -3.229    -3.241    -0.012     24.57
-   CO3-2           5.381e-11   4.824e-11   -10.269   -10.317    -0.047     -3.87
-H(0)          1.508e-39
-   H2              7.538e-40   7.539e-40   -39.123   -39.123     0.000     28.59
-O(0)          1.357e-14
-   O2              6.786e-15   6.787e-15   -14.168   -14.168     0.000     30.36
+   HCO3-           5.901e-04   5.742e-04    -3.229    -3.241    -0.012     24.66
+   CO3-2           5.380e-11   4.823e-11   -10.269   -10.317    -0.047     -3.73
+H(0)          1.177e-39
+   H2              5.884e-40   5.885e-40   -39.230   -39.230     0.000     28.59
+O(0)          2.227e-14
+   O2              1.114e-14   1.114e-14   -13.953   -13.953     0.000     30.36
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  26 atm)
 
-  CH4(g)         -116.77   -119.59   -2.82  CH4
+  CH4(g)         -117.20   -120.02   -2.82  CH4
   CO2(g)            1.35     -0.14   -1.48  CO2	 Pressure  25.8 atm, phi 0.862
-  H2(g)           -36.01    -39.12   -3.11  H2
+  H2(g)           -36.12    -39.23   -3.11  H2
   H2O(g)           -1.50     -0.01    1.49  H2O	 Pressure   0.0 atm, phi 0.766
-  O2(g)           -11.26    -14.17   -2.91  O2
+  O2(g)           -11.05    -13.95   -2.91  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -431,11 +432,11 @@ H2O(g)            -1.32   4.764e-02  0.666   1.998e-03   2.555e-03   5.569e-04
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.178      Charge balance
-                                       pe  =   2.399      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 267
+                                       pe  =  14.865      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 248
                           Density (g/cm³)  =   1.00802
                                Volume (L)  =   1.03574
-                        Viscosity (mPa s)  =   0.88974
+                        Viscosity (mPa s)  =   0.88983
                         Activity of water  =   0.983
                  Ionic strength (mol/kgw)  =   6.833e-04
                        Mass of water (kg)  =   9.999e-01
@@ -445,7 +446,7 @@ H2O(g)            -1.32   4.764e-02  0.666   1.998e-03   2.555e-03   5.569e-04
                            Pressure (atm)  = 37.31
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  37
+                               Iterations  =  28
                                   Total H  = 1.110073e+02
                                   Total O  = 5.750746e+01
 
@@ -454,30 +455,30 @@ H2O(g)            -1.32   4.764e-02  0.666   1.998e-03   2.555e-03   5.569e-04
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.833e-04   6.642e-04    -3.165    -3.178    -0.012      0.00
+   H+              6.833e-04   6.641e-04    -3.165    -3.178    -0.012      0.00
    OH-             1.595e-11   1.548e-11   -10.797   -10.810    -0.013     -3.98
    H2O             5.551e+01   9.832e-01     1.744    -0.007     0.000     18.04
-C(-4)         5.646e-21
-   CH4             5.646e-21   5.647e-21   -20.248   -20.248     0.000     35.51
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.972  -119.972     0.000     35.51
 C(4)          1.002e+00
    CO2             9.669e-01   9.670e-01    -0.015    -0.015     0.000     34.42
    (CO2)2          1.716e-02   1.717e-02    -1.765    -1.765     0.000     68.83
-   HCO3-           6.833e-04   6.636e-04    -3.165    -3.178    -0.013     24.59
-   CO3-2           5.495e-11   4.887e-11   -10.260   -10.311    -0.051     -3.76
-H(0)          9.525e-15
-   H2              4.763e-15   4.763e-15   -14.322   -14.322     0.000     28.59
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.784   -63.784     0.000     30.35
+   HCO3-           6.833e-04   6.636e-04    -3.165    -3.178    -0.013     24.70
+   CO3-2           5.494e-11   4.887e-11   -10.260   -10.311    -0.051     -3.61
+H(0)          1.117e-39
+   H2              5.584e-40   5.585e-40   -39.253   -39.253     0.000     28.59
+O(0)          2.393e-14
+   O2              1.197e-14   1.197e-14   -13.922   -13.922     0.000     30.35
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  37 atm)
 
-  CH4(g)          -17.42    -20.25   -2.82  CH4
+  CH4(g)         -117.15   -119.97   -2.82  CH4
   CO2(g)            1.48     -0.01   -1.49  CO2	 Pressure  37.3 atm, phi 0.803
-  H2(g)           -11.20    -14.32   -3.12  H2
+  H2(g)           -36.13    -39.25   -3.12  H2
   H2O(g)           -1.50     -0.01    1.49  H2O	 Pressure   0.0 atm, phi 0.666
-  O2(g)           -60.87    -63.78   -2.91  O2
+  O2(g)           -11.01    -13.92   -2.91  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -525,13 +526,13 @@ H2O(g)            -1.26   5.498e-02  0.580   2.555e-03   3.300e-03   7.455e-04
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.142      Charge balance
-                                       pe  =   2.323      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 290
+                                       pe  =  14.877      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 267
                           Density (g/cm³)  =   1.01002
                                Volume (L)  =   1.04130
-                        Viscosity (mPa s)  =   0.88964
+                        Viscosity (mPa s)  =   0.88973
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   7.423e-04
+                 Ionic strength (mol/kgw)  =   7.422e-04
                        Mass of water (kg)  =   9.999e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.177e+00
@@ -548,30 +549,30 @@ H2O(g)            -1.26   5.498e-02  0.580   2.555e-03   3.300e-03   7.455e-04
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.423e-04   7.207e-04    -3.129    -3.142    -0.013      0.00
+   H+              7.422e-04   7.206e-04    -3.129    -3.142    -0.013      0.00
    OH-             1.480e-11   1.435e-11   -10.830   -10.843    -0.013     -3.94
    H2O             5.551e+01   9.804e-01     1.744    -0.009     0.000     18.03
-C(-4)         5.128e-20
-   CH4             5.128e-20   5.129e-20   -19.290   -19.290     0.000     35.52
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.727  -119.727     0.000     35.52
 C(4)          1.177e+00
    CO2             1.129e+00   1.129e+00     0.053     0.053     0.000     34.41
    (CO2)2          2.341e-02   2.341e-02    -1.631    -1.631     0.000     68.82
-   HCO3-           7.423e-04   7.201e-04    -3.129    -3.143    -0.013     24.61
-   CO3-2           5.582e-11   4.942e-11   -10.253   -10.306    -0.053     -3.66
-H(0)          1.576e-14
-   H2              7.881e-15   7.882e-15   -14.103   -14.103     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.233   -64.233     0.000     30.33
+   HCO3-           7.422e-04   7.200e-04    -3.129    -3.143    -0.013     24.73
+   CO3-2           5.582e-11   4.942e-11   -10.253   -10.306    -0.053     -3.52
+H(0)          1.226e-39
+   H2              6.128e-40   6.130e-40   -39.213   -39.213     0.000     28.58
+O(0)          1.936e-14
+   O2              9.678e-15   9.679e-15   -14.014   -14.014     0.000     30.33
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  47 atm)
 
-  CH4(g)          -16.46    -19.29   -2.83  CH4
+  CH4(g)         -116.90   -119.73   -2.83  CH4
   CO2(g)            1.55      0.05   -1.50  CO2	 Pressure  47.0 atm, phi 0.753
-  H2(g)           -10.98    -14.10   -3.12  H2
+  H2(g)           -36.09    -39.21   -3.12  H2
   H2O(g)           -1.50     -0.01    1.49  H2O	 Pressure   0.1 atm, phi 0.580
-  O2(g)           -61.32    -64.23   -2.92  O2
+  O2(g)           -11.10    -14.01   -2.92  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -619,13 +620,13 @@ H2O(g)            -1.20   6.307e-02  0.507   3.300e-03   4.278e-03   9.775e-04
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.122      Charge balance
-                                       pe  =   2.189      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 304
+                                       pe  =  14.890      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 278
                           Density (g/cm³)  =   1.01134
                                Volume (L)  =   1.04476
-                        Viscosity (mPa s)  =   0.88955
+                        Viscosity (mPa s)  =   0.88965
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   7.784e-04
+                 Ionic strength (mol/kgw)  =   7.783e-04
                        Mass of water (kg)  =   9.999e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.288e+00
@@ -642,30 +643,30 @@ H2O(g)            -1.20   6.307e-02  0.507   3.300e-03   4.278e-03   9.775e-04
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.784e-04   7.553e-04    -3.109    -3.122    -0.013      0.00
-   OH-             1.420e-11   1.376e-11   -10.848   -10.861    -0.014     -3.91
+   H+              7.783e-04   7.552e-04    -3.109    -3.122    -0.013      0.00
+   OH-             1.421e-11   1.376e-11   -10.848   -10.861    -0.014     -3.91
    H2O             5.551e+01   9.786e-01     1.744    -0.009     0.000     18.03
-C(-4)         9.496e-19
-   CH4             9.496e-19   9.498e-19   -18.022   -18.022     0.000     35.53
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.630  -119.630     0.000     35.53
 C(4)          1.288e+00
    CO2             1.232e+00   1.232e+00     0.090     0.091     0.000     34.41
    (CO2)2          2.784e-02   2.785e-02    -1.555    -1.555     0.000     68.82
-   HCO3-           7.784e-04   7.546e-04    -3.109    -3.122    -0.014     24.62
-   CO3-2           5.646e-11   4.985e-11   -10.248   -10.302    -0.054     -3.59
-H(0)          3.177e-14
-   H2              1.589e-14   1.589e-14   -13.799   -13.799     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.850   -64.850     0.000     30.32
+   HCO3-           7.783e-04   7.545e-04    -3.109    -3.122    -0.014     24.76
+   CO3-2           5.646e-11   4.985e-11   -10.248   -10.302    -0.054     -3.44
+H(0)          1.260e-39
+   H2              6.298e-40   6.299e-40   -39.201   -39.201     0.000     28.58
+O(0)          1.797e-14
+   O2              8.983e-15   8.984e-15   -14.047   -14.047     0.000     30.32
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  55 atm)
 
-  CH4(g)          -15.19    -18.02   -2.84  CH4
+  CH4(g)         -116.79   -119.63   -2.84  CH4
   CO2(g)            1.59      0.09   -1.50  CO2	 Pressure  54.7 atm, phi 0.713
-  H2(g)           -10.67    -13.80   -3.13  H2
+  H2(g)           -36.07    -39.20   -3.13  H2
   H2O(g)           -1.50     -0.01    1.49  H2O	 Pressure   0.1 atm, phi 0.507
-  O2(g)           -61.93    -64.85   -2.92  O2
+  O2(g)           -11.13    -14.05   -2.92  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -713,13 +714,13 @@ H2O(g)            -1.15   7.157e-02  0.448   4.278e-03   5.528e-03   1.251e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.111      Charge balance
-                                       pe  =   2.270      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 313
+                                       pe  =  14.943      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 284
                           Density (g/cm³)  =   1.01215
                                Volume (L)  =   1.04668
-                        Viscosity (mPa s)  =   0.88949
+                        Viscosity (mPa s)  =   0.88959
                         Activity of water  =   0.978
-                 Ionic strength (mol/kgw)  =   7.990e-04
+                 Ionic strength (mol/kgw)  =   7.989e-04
                        Mass of water (kg)  =   9.999e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.352e+00
@@ -736,30 +737,30 @@ H2O(g)            -1.15   7.157e-02  0.448   4.278e-03   5.528e-03   1.251e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.990e-04   7.750e-04    -3.097    -3.111    -0.013      0.00
-   OH-             1.390e-11   1.346e-11   -10.857   -10.871    -0.014     -3.89
+   H+              7.989e-04   7.748e-04    -3.098    -3.111    -0.013      0.00
+   OH-             1.390e-11   1.347e-11   -10.857   -10.871    -0.014     -3.89
    H2O             5.551e+01   9.775e-01     1.744    -0.010     0.000     18.02
-C(-4)         2.711e-19
-   CH4             2.711e-19   2.712e-19   -18.567   -18.567     0.000     35.54
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.948  -119.948     0.000     35.54
 C(4)          1.352e+00
    CO2             1.290e+00   1.290e+00     0.111     0.111     0.000     34.40
    (CO2)2          3.055e-02   3.055e-02    -1.515    -1.515     0.000     68.81
-   HCO3-           7.990e-04   7.742e-04    -3.097    -3.111    -0.014     24.62
-   CO3-2           5.690e-11   5.016e-11   -10.245   -10.300    -0.055     -3.54
-H(0)          2.285e-14
-   H2              1.142e-14   1.143e-14   -13.942   -13.942     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.570   -64.570     0.000     30.31
+   HCO3-           7.989e-04   7.741e-04    -3.098    -3.111    -0.014     24.77
+   CO3-2           5.690e-11   5.016e-11   -10.245   -10.300    -0.055     -3.39
+H(0)          1.032e-39
+   H2              5.158e-40   5.159e-40   -39.288   -39.287     0.000     28.58
+O(0)          2.643e-14
+   O2              1.321e-14   1.322e-14   -13.879   -13.879     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  60 atm)
 
-  CH4(g)          -15.73    -18.57   -2.84  CH4
+  CH4(g)         -117.11   -119.95   -2.84  CH4
   CO2(g)            1.62      0.11   -1.50  CO2	 Pressure  60.2 atm, phi 0.685
-  H2(g)           -10.81    -13.94   -3.13  H2
+  H2(g)           -36.16    -39.29   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.448
-  O2(g)           -61.65    -64.57   -2.92  O2
+  O2(g)           -10.95    -13.88   -2.92  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -807,13 +808,13 @@ H2O(g)            -1.10   8.014e-02  0.401   5.528e-03   7.089e-03   1.561e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.105      Charge balance
-                                       pe  =   2.328      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 317
+                                       pe  =  14.977      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 287
                           Density (g/cm³)  =   1.01257
                                Volume (L)  =   1.04759
-                        Viscosity (mPa s)  =   0.88945
+                        Viscosity (mPa s)  =   0.88955
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.094e-04
+                 Ionic strength (mol/kgw)  =   8.092e-04
                        Mass of water (kg)  =   9.999e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.384e+00
@@ -830,30 +831,30 @@ H2O(g)            -1.10   8.014e-02  0.401   5.528e-03   7.089e-03   1.561e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.094e-04   7.849e-04    -3.092    -3.105    -0.013      0.00
+   H+              8.092e-04   7.847e-04    -3.092    -3.105    -0.013      0.00
    OH-             1.376e-11   1.333e-11   -10.861   -10.875    -0.014     -3.88
    H2O             5.551e+01   9.770e-01     1.744    -0.010     0.000     18.02
-C(-4)         1.054e-19
-   CH4             1.054e-19   1.055e-19   -18.977   -18.977     0.000     35.54
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -120.171  -120.171     0.000     35.54
 C(4)          1.384e+00
    CO2             1.319e+00   1.319e+00     0.120     0.120     0.000     34.40
    (CO2)2          3.193e-02   3.194e-02    -1.496    -1.496     0.000     68.81
-   HCO3-           8.094e-04   7.841e-04    -3.092    -3.106    -0.014     24.63
-   CO3-2           5.715e-11   5.035e-11   -10.243   -10.298    -0.055     -3.51
-H(0)          1.789e-14
-   H2              8.945e-15   8.947e-15   -14.048   -14.048     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -64.361   -64.361     0.000     30.31
+   HCO3-           8.092e-04   7.839e-04    -3.092    -3.106    -0.014     24.78
+   CO3-2           5.716e-11   5.035e-11   -10.243   -10.298    -0.055     -3.36
+H(0)          8.998e-40
+   H2              4.499e-40   4.500e-40   -39.347   -39.347     0.000     28.58
+O(0)          3.445e-14
+   O2              1.723e-14   1.723e-14   -13.764   -13.764     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  64 atm)
 
-  CH4(g)          -16.14    -18.98   -2.84  CH4
+  CH4(g)         -117.33   -120.17   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  63.5 atm, phi 0.667
-  H2(g)           -10.92    -14.05   -3.13  H2
+  H2(g)           -36.21    -39.35   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.401
-  O2(g)           -61.43    -64.36   -2.93  O2
+  O2(g)           -10.84    -13.76   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -901,15 +902,15 @@ H2O(g)            -1.05   8.845e-02  0.364   7.089e-03   8.995e-03   1.905e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.103      Charge balance
-                                       pe  =   2.504      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =  14.980      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 289
                           Density (g/cm³)  =   1.01273
                                Volume (L)  =   1.04788
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.132e-04
+                 Ionic strength (mol/kgw)  =   8.131e-04
                        Mass of water (kg)  =   9.998e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.395e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 65.04
@@ -924,30 +925,30 @@ H2O(g)            -1.05   8.845e-02  0.364   7.089e-03   8.995e-03   1.905e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.132e-04   7.886e-04    -3.090    -3.103    -0.013      0.00
-   OH-             1.371e-11   1.328e-11   -10.863   -10.877    -0.014     -3.87
+   H+              8.131e-04   7.884e-04    -3.090    -3.103    -0.013      0.00
+   OH-             1.372e-11   1.328e-11   -10.863   -10.877    -0.014     -3.87
    H2O             5.551e+01   9.768e-01     1.744    -0.010     0.000     18.02
-C(-4)         4.274e-21
-   CH4             4.274e-21   4.275e-21   -20.369   -20.369     0.000     35.54
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -120.173  -120.173     0.000     35.54
 C(4)          1.395e+00
    CO2             1.329e+00   1.330e+00     0.124     0.124     0.000     34.40
    (CO2)2          3.244e-02   3.245e-02    -1.489    -1.489     0.000     68.81
-   HCO3-           8.132e-04   7.878e-04    -3.090    -3.104    -0.014     24.63
-   CO3-2           5.727e-11   5.043e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          8.001e-15
-   H2              4.001e-15   4.001e-15   -14.398   -14.398     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.663   -63.663     0.000     30.31
+   HCO3-           8.131e-04   7.876e-04    -3.090    -3.104    -0.014     24.79
+   CO3-2           5.727e-11   5.043e-11   -10.242   -10.297    -0.055     -3.35
+H(0)          8.956e-40
+   H2              4.478e-40   4.479e-40   -39.349   -39.349     0.000     28.58
+O(0)          3.466e-14
+   O2              1.733e-14   1.733e-14   -13.761   -13.761     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)          -17.53    -20.37   -2.84  CH4
+  CH4(g)         -117.33   -120.17   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.0 atm, phi 0.658
-  H2(g)           -11.26    -14.40   -3.13  H2
+  H2(g)           -36.22    -39.35   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.364
-  O2(g)           -60.74    -63.66   -2.93  O2
+  O2(g)           -10.83    -13.76   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -995,21 +996,21 @@ H2O(g)            -1.02   9.646e-02  0.334   8.995e-03   1.127e-02   2.272e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.103      Charge balance
-                                       pe  =   2.558      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =  14.928      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 289
                           Density (g/cm³)  =   1.01275
                                Volume (L)  =   1.04787
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.136e-04
+                 Ionic strength (mol/kgw)  =   8.134e-04
                        Mass of water (kg)  =   9.998e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.396e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 65.20
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  39
+                               Iterations  =  44
                                   Total H  = 1.109899e+02
                                   Total O  = 5.828669e+01
 
@@ -1018,30 +1019,30 @@ H2O(g)            -1.02   9.646e-02  0.334   8.995e-03   1.127e-02   2.272e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.136e-04   7.889e-04    -3.090    -3.103    -0.013      0.00
-   OH-             1.371e-11   1.327e-11   -10.863   -10.877    -0.014     -3.87
+   H+              8.134e-04   7.888e-04    -3.090    -3.103    -0.013      0.00
+   OH-             1.371e-11   1.328e-11   -10.863   -10.877    -0.014     -3.87
    H2O             5.551e+01   9.768e-01     1.744    -0.010     0.000     18.02
-C(-4)         1.609e-21
-   CH4             1.609e-21   1.610e-21   -20.793   -20.793     0.000     35.54
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.759  -119.759     0.000     35.54
 C(4)          1.396e+00
    CO2             1.330e+00   1.331e+00     0.124     0.124     0.000     34.40
    (CO2)2          3.249e-02   3.250e-02    -1.488    -1.488     0.000     68.81
-   HCO3-           8.136e-04   7.881e-04    -3.090    -3.103    -0.014     24.63
-   CO3-2           5.728e-11   5.044e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          6.266e-15
-   H2              3.133e-15   3.134e-15   -14.504   -14.504     0.000     28.58
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.451   -63.451     0.000     30.31
+   HCO3-           8.134e-04   7.880e-04    -3.090    -3.103    -0.014     24.79
+   CO3-2           5.728e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          1.136e-39
+   H2              5.681e-40   5.682e-40   -39.246   -39.245     0.000     28.58
+O(0)          2.152e-14
+   O2              1.076e-14   1.076e-14   -13.968   -13.968     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)          -17.95    -20.79   -2.84  CH4
+  CH4(g)         -116.92   -119.76   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.1 atm, phi 0.657
-  H2(g)           -11.37    -14.50   -3.13  H2
+  H2(g)           -36.11    -39.25   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.334
-  O2(g)           -60.52    -63.45   -2.93  O2
+  O2(g)           -11.04    -13.97   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1089,21 +1090,21 @@ H2O(g)            -0.98   1.051e-01  0.306   1.127e-02   1.389e-02   2.628e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.103      Charge balance
-                                       pe  =  14.740      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =  14.901      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 289
                           Density (g/cm³)  =   1.01275
                                Volume (L)  =   1.04780
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.134e-04
+                 Ionic strength (mol/kgw)  =   8.133e-04
                        Mass of water (kg)  =   9.997e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.396e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 65.19
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  56
+                               Iterations  =  43
                                   Total H  = 1.109846e+02
                                   Total O  = 5.828280e+01
 
@@ -1112,30 +1113,30 @@ H2O(g)            -0.98   1.051e-01  0.306   1.127e-02   1.389e-02   2.628e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.134e-04   7.888e-04    -3.090    -3.103    -0.013      0.00
+   H+              8.133e-04   7.886e-04    -3.090    -3.103    -0.013      0.00
    OH-             1.371e-11   1.328e-11   -10.863   -10.877    -0.014     -3.87
    H2O             5.551e+01   9.768e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -118.250  -118.250     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -119.538  -119.538     0.000     35.54
 C(4)          1.396e+00
    CO2             1.330e+00   1.330e+00     0.124     0.124     0.000     34.40
    (CO2)2          3.246e-02   3.247e-02    -1.489    -1.489     0.000     68.81
-   HCO3-           8.134e-04   7.880e-04    -3.090    -3.103    -0.014     24.63
-   CO3-2           5.728e-11   5.044e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          2.709e-39
-   H2              1.355e-39   1.355e-39   -38.868   -38.868     0.000     28.58
-O(0)          3.786e-15
-   O2              1.893e-15   1.893e-15   -14.723   -14.723     0.000     30.31
+   HCO3-           8.133e-04   7.878e-04    -3.090    -3.104    -0.014     24.79
+   CO3-2           5.728e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          1.291e-39
+   H2              6.453e-40   6.454e-40   -39.190   -39.190     0.000     28.58
+O(0)          1.668e-14
+   O2              8.341e-15   8.343e-15   -14.079   -14.079     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -115.41   -118.25   -2.84  CH4
+  CH4(g)         -116.70   -119.54   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.1 atm, phi 0.657
-  H2(g)           -35.73    -38.87   -3.13  H2
+  H2(g)           -36.06    -39.19   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.306
-  O2(g)           -11.80    -14.72   -2.93  O2
+  O2(g)           -11.15    -14.08   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1183,21 +1184,21 @@ H2O(g)            -0.94   1.145e-01  0.281   1.389e-02   1.691e-02   3.018e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.103      Charge balance
-                                       pe  =  14.912      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =  14.638      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 289
                           Density (g/cm³)  =   1.01273
                                Volume (L)  =   1.04770
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.130e-04
+                 Ionic strength (mol/kgw)  =   8.129e-04
                        Mass of water (kg)  =   9.997e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.394e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 65.17
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  46
+                               Iterations  =  47
                                   Total H  = 1.109786e+02
                                   Total O  = 5.827687e+01
 
@@ -1206,30 +1207,30 @@ H2O(g)            -0.94   1.145e-01  0.281   1.389e-02   1.691e-02   3.018e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.130e-04   7.884e-04    -3.090    -3.103    -0.013      0.00
+   H+              8.129e-04   7.882e-04    -3.090    -3.103    -0.013      0.00
    OH-             1.372e-11   1.328e-11   -10.863   -10.877    -0.014     -3.87
    H2O             5.551e+01   9.768e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.630  -119.630     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -117.437  -117.437     0.000     35.54
 C(4)          1.394e+00
    CO2             1.329e+00   1.329e+00     0.123     0.123     0.000     34.40
    (CO2)2          3.240e-02   3.241e-02    -1.489    -1.489     0.000     68.81
-   HCO3-           8.130e-04   7.876e-04    -3.090    -3.104    -0.014     24.63
-   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          1.224e-39
-   H2              6.122e-40   6.123e-40   -39.213   -39.213     0.000     28.58
-O(0)          1.854e-14
-   O2              9.269e-15   9.271e-15   -14.033   -14.033     0.000     30.31
+   HCO3-           8.129e-04   7.875e-04    -3.090    -3.104    -0.014     24.79
+   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          4.327e-39
+   H2              2.163e-39   2.164e-39   -38.665   -38.665     0.000     28.58
+O(0)          1.484e-15
+   O2              7.422e-16   7.423e-16   -15.129   -15.129     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -116.79   -119.63   -2.84  CH4
+  CH4(g)         -114.59   -117.44   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.1 atm, phi 0.657
-  H2(g)           -36.08    -39.21   -3.13  H2
+  H2(g)           -35.53    -38.66   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.281
-  O2(g)           -11.11    -14.03   -2.93  O2
+  O2(g)           -12.20    -15.13   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1277,13 +1278,13 @@ H2O(g)            -0.90   1.248e-01  0.258   1.691e-02   2.036e-02   3.449e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.104      Charge balance
-                                       pe  =  14.963      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =   2.312      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   1.01271
                                Volume (L)  =   1.04756
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.125e-04
+                 Ionic strength (mol/kgw)  =   8.123e-04
                        Mass of water (kg)  =   9.996e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.392e+00
@@ -1291,7 +1292,7 @@ H2O(g)            -0.90   1.248e-01  0.258   1.691e-02   2.036e-02   3.449e-03
                            Pressure (atm)  = 65.15
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  46
+                               Iterations  =  58
                                   Total H  = 1.109717e+02
                                   Total O  = 5.826914e+01
 
@@ -1300,30 +1301,30 @@ H2O(g)            -0.90   1.248e-01  0.258   1.691e-02   2.036e-02   3.449e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.125e-04   7.878e-04    -3.090    -3.104    -0.013      0.00
+   H+              8.123e-04   7.877e-04    -3.090    -3.104    -0.013      0.00
    OH-             1.373e-11   1.329e-11   -10.862   -10.876    -0.014     -3.87
    H2O             5.551e+01   9.769e-01     1.744    -0.010     0.000     18.02
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.042  -120.042     0.000     35.54
+C(-4)         1.454e-19
+   CH4             1.454e-19   1.455e-19   -18.837   -18.837     0.000     35.54
 C(4)          1.392e+00
    CO2             1.327e+00   1.327e+00     0.123     0.123     0.000     34.40
    (CO2)2          3.231e-02   3.232e-02    -1.491    -1.491     0.000     68.81
-   HCO3-           8.125e-04   7.871e-04    -3.090    -3.104    -0.014     24.63
-   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          9.664e-40
-   H2              4.832e-40   4.833e-40   -39.316   -39.316     0.000     28.58
-O(0)          2.976e-14
-   O2              1.488e-14   1.488e-14   -13.827   -13.827     0.000     30.31
+   HCO3-           8.123e-04   7.869e-04    -3.090    -3.104    -0.014     24.79
+   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          1.933e-14
+   H2              9.667e-15   9.669e-15   -14.015   -14.015     0.000     28.58
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -64.430   -64.430     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -117.20   -120.04   -2.84  CH4
+  CH4(g)          -15.99    -18.84   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.0 atm, phi 0.656
-  H2(g)           -36.18    -39.32   -3.13  H2
+  H2(g)           -10.88    -14.01   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.258
-  O2(g)           -10.90    -13.83   -2.93  O2
+  O2(g)           -61.50    -64.43   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1371,13 +1372,13 @@ H2O(g)            -0.87   1.359e-01  0.237   2.036e-02   2.428e-02   3.919e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.104      Charge balance
-                                       pe  =  14.958      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 318
+                                       pe  =  14.806      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   1.01269
                                Volume (L)  =   1.04741
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.118e-04
+                 Ionic strength (mol/kgw)  =   8.116e-04
                        Mass of water (kg)  =   9.995e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.390e+00
@@ -1385,7 +1386,7 @@ H2O(g)            -0.87   1.359e-01  0.237   2.036e-02   2.428e-02   3.919e-03
                            Pressure (atm)  = 65.14
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  45
+                               Iterations  =  60
                                   Total H  = 1.109639e+02
                                   Total O  = 5.826024e+01
 
@@ -1394,30 +1395,30 @@ H2O(g)            -0.87   1.359e-01  0.237   2.036e-02   2.428e-02   3.919e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.118e-04   7.872e-04    -3.091    -3.104    -0.013      0.00
-   OH-             1.374e-11   1.330e-11   -10.862   -10.876    -0.014     -3.87
+   H+              8.116e-04   7.870e-04    -3.091    -3.104    -0.013      0.00
+   OH-             1.374e-11   1.331e-11   -10.862   -10.876    -0.014     -3.87
    H2O             5.551e+01   9.769e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.006  -120.006     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -118.793  -118.793     0.000     35.54
 C(4)          1.390e+00
    CO2             1.325e+00   1.325e+00     0.122     0.122     0.000     34.40
    (CO2)2          3.221e-02   3.221e-02    -1.492    -1.492     0.000     68.81
-   HCO3-           8.118e-04   7.864e-04    -3.091    -3.104    -0.014     24.63
-   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          9.870e-40
-   H2              4.935e-40   4.936e-40   -39.307   -39.307     0.000     28.58
-O(0)          2.853e-14
-   O2              1.427e-14   1.427e-14   -13.846   -13.846     0.000     30.31
+   HCO3-           8.116e-04   7.863e-04    -3.091    -3.104    -0.014     24.79
+   CO3-2           5.727e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          1.984e-39
+   H2              9.922e-40   9.923e-40   -39.003   -39.003     0.000     28.58
+O(0)          7.060e-15
+   O2              3.530e-15   3.531e-15   -14.452   -14.452     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -117.16   -120.01   -2.84  CH4
+  CH4(g)         -115.95   -118.79   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.0 atm, phi 0.655
-  H2(g)           -36.17    -39.31   -3.13  H2
+  H2(g)           -35.87    -39.00   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.237
-  O2(g)           -10.92    -13.85   -2.93  O2
+  O2(g)           -11.53    -14.45   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1465,13 +1466,13 @@ H2O(g)            -0.83   1.479e-01  0.218   2.428e-02   2.871e-02   4.427e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.104      Charge balance
-                                       pe  =  14.991      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 317
+                                       pe  =  14.718      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   1.01267
                                Volume (L)  =   1.04724
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.112e-04
+                 Ionic strength (mol/kgw)  =   8.110e-04
                        Mass of water (kg)  =   9.995e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.387e+00
@@ -1488,30 +1489,30 @@ H2O(g)            -0.83   1.479e-01  0.218   2.428e-02   2.871e-02   4.427e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.112e-04   7.866e-04    -3.091    -3.104    -0.013      0.00
-   OH-             1.375e-11   1.331e-11   -10.862   -10.876    -0.014     -3.87
+   H+              8.110e-04   7.864e-04    -3.091    -3.104    -0.013      0.00
+   OH-             1.375e-11   1.332e-11   -10.862   -10.876    -0.014     -3.87
    H2O             5.551e+01   9.769e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.273  -120.273     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -118.092  -118.092     0.000     35.54
 C(4)          1.387e+00
    CO2             1.322e+00   1.323e+00     0.121     0.121     0.000     34.40
    (CO2)2          3.210e-02   3.211e-02    -1.493    -1.493     0.000     68.81
-   HCO3-           8.112e-04   7.858e-04    -3.091    -3.105    -0.014     24.63
-   CO3-2           5.726e-11   5.043e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          8.470e-40
-   H2              4.235e-40   4.236e-40   -39.373   -39.373     0.000     28.58
-O(0)          3.876e-14
-   O2              1.938e-14   1.938e-14   -13.713   -13.713     0.000     30.31
+   HCO3-           8.110e-04   7.856e-04    -3.091    -3.105    -0.014     24.79
+   CO3-2           5.726e-11   5.044e-11   -10.242   -10.297    -0.055     -3.34
+H(0)          2.972e-39
+   H2              1.486e-39   1.486e-39   -38.828   -38.828     0.000     28.58
+O(0)          3.147e-15
+   O2              1.573e-15   1.574e-15   -14.803   -14.803     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -117.43   -120.27   -2.84  CH4
+  CH4(g)         -115.25   -118.09   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  65.0 atm, phi 0.655
-  H2(g)           -36.24    -39.37   -3.13  H2
+  H2(g)           -35.69    -38.83   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.1 atm, phi 0.218
-  O2(g)           -10.79    -13.71   -2.93  O2
+  O2(g)           -11.88    -14.80   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1559,13 +1560,13 @@ H2O(g)            -0.79   1.606e-01  0.200   2.871e-02   3.368e-02   4.970e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.105      Charge balance
-                                       pe  =  14.960      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 317
+                                       pe  =  14.909      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   1.01265
                                Volume (L)  =   1.04709
-                        Viscosity (mPa s)  =   0.88943
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.106e-04
+                 Ionic strength (mol/kgw)  =   8.105e-04
                        Mass of water (kg)  =   9.994e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.386e+00
@@ -1582,30 +1583,30 @@ H2O(g)            -0.79   1.606e-01  0.200   2.871e-02   3.368e-02   4.970e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.106e-04   7.861e-04    -3.091    -3.105    -0.013      0.00
+   H+              8.105e-04   7.859e-04    -3.091    -3.105    -0.013      0.00
    OH-             1.376e-11   1.332e-11   -10.861   -10.875    -0.014     -3.87
    H2O             5.551e+01   9.770e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.031  -120.031     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -119.621  -119.621     0.000     35.54
 C(4)          1.386e+00
    CO2             1.321e+00   1.321e+00     0.121     0.121     0.000     34.40
    (CO2)2          3.202e-02   3.203e-02    -1.495    -1.494     0.000     68.81
-   HCO3-           8.106e-04   7.853e-04    -3.091    -3.105    -0.014     24.63
-   CO3-2           5.726e-11   5.043e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          9.736e-40
-   H2              4.868e-40   4.869e-40   -39.313   -39.313     0.000     28.58
-O(0)          2.933e-14
-   O2              1.466e-14   1.467e-14   -13.834   -13.834     0.000     30.31
+   HCO3-           8.105e-04   7.852e-04    -3.091    -3.105    -0.014     24.79
+   CO3-2           5.726e-11   5.043e-11   -10.242   -10.297    -0.055     -3.35
+H(0)          1.233e-39
+   H2              6.164e-40   6.165e-40   -39.210   -39.210     0.000     28.58
+O(0)          1.829e-14
+   O2              9.147e-15   9.149e-15   -14.039   -14.039     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -117.19   -120.03   -2.84  CH4
+  CH4(g)         -116.78   -119.62   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  64.9 atm, phi 0.654
-  H2(g)           -36.18    -39.31   -3.13  H2
+  H2(g)           -36.08    -39.21   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.2 atm, phi 0.200
-  O2(g)           -10.91    -13.83   -2.93  O2
+  O2(g)           -11.11    -14.04   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1653,13 +1654,13 @@ H2O(g)            -0.76   1.742e-01  0.185   3.368e-02   3.922e-02   5.546e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.105      Charge balance
-                                       pe  =  14.925      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 317
+                                       pe  =  14.952      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   1.01265
-                               Volume (L)  =   1.04695
-                        Viscosity (mPa s)  =   0.88943
+                               Volume (L)  =   1.04696
+                        Viscosity (mPa s)  =   0.88954
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.104e-04
+                 Ionic strength (mol/kgw)  =   8.102e-04
                        Mass of water (kg)  =   9.993e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.385e+00
@@ -1676,30 +1677,30 @@ H2O(g)            -0.76   1.742e-01  0.185   3.368e-02   3.922e-02   5.546e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.104e-04   7.859e-04    -3.091    -3.105    -0.013      0.00
-   OH-             1.376e-11   1.333e-11   -10.861   -10.875    -0.014     -3.87
+   H+              8.102e-04   7.857e-04    -3.091    -3.105    -0.013      0.00
+   OH-             1.377e-11   1.333e-11   -10.861   -10.875    -0.014     -3.87
    H2O             5.551e+01   9.770e-01     1.744    -0.010     0.000     18.02
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.745  -119.744     0.000     35.54
+   CH4             0.000e+00   0.000e+00  -119.965  -119.965     0.000     35.54
 C(4)          1.385e+00
    CO2             1.320e+00   1.320e+00     0.121     0.121     0.000     34.40
    (CO2)2          3.198e-02   3.199e-02    -1.495    -1.495     0.000     68.81
-   HCO3-           8.104e-04   7.851e-04    -3.091    -3.105    -0.014     24.63
-   CO3-2           5.726e-11   5.043e-11   -10.242   -10.297    -0.055     -3.49
-H(0)          1.148e-39
-   H2              5.742e-40   5.744e-40   -39.241   -39.241     0.000     28.58
-O(0)          2.108e-14
-   O2              1.054e-14   1.054e-14   -13.977   -13.977     0.000     30.31
+   HCO3-           8.102e-04   7.849e-04    -3.091    -3.105    -0.014     24.79
+   CO3-2           5.726e-11   5.043e-11   -10.242   -10.297    -0.055     -3.35
+H(0)          1.012e-39
+   H2              5.058e-40   5.059e-40   -39.296   -39.296     0.000     28.58
+O(0)          2.717e-14
+   O2              1.359e-14   1.359e-14   -13.867   -13.867     0.000     30.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  65 atm)
 
-  CH4(g)         -116.90   -119.74   -2.84  CH4
+  CH4(g)         -117.12   -119.96   -2.84  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  64.9 atm, phi 0.654
-  H2(g)           -36.11    -39.24   -3.13  H2
+  H2(g)           -36.16    -39.30   -3.13  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.2 atm, phi 0.185
-  O2(g)           -11.05    -13.98   -2.93  O2
+  O2(g)           -10.94    -13.87   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1747,13 +1748,13 @@ H2O(g)            -0.69   2.026e-01  0.159   3.922e-02   4.502e-02   5.801e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.102      Charge balance
-                                       pe  =  14.876      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 319
+                                       pe  =  14.961      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 290
                           Density (g/cm³)  =   1.01297
                                Volume (L)  =   1.04694
-                        Viscosity (mPa s)  =   0.88937
+                        Viscosity (mPa s)  =   0.88947
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.156e-04
+                 Ionic strength (mol/kgw)  =   8.154e-04
                        Mass of water (kg)  =   9.992e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.395e+00
@@ -1770,30 +1771,30 @@ H2O(g)            -0.69   2.026e-01  0.159   3.922e-02   4.502e-02   5.801e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.156e-04   7.909e-04    -3.089    -3.102    -0.013      0.00
-   OH-             1.374e-11   1.330e-11   -10.862   -10.876    -0.014     -3.86
+   H+              8.154e-04   7.907e-04    -3.089    -3.102    -0.013      0.00
+   OH-             1.374e-11   1.331e-11   -10.862   -10.876    -0.014     -3.86
    H2O             5.551e+01   9.768e-01     1.744    -0.010     0.000     18.01
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.338  -119.338     0.000     35.55
+   CH4             0.000e+00   0.000e+00  -120.015  -120.014     0.000     35.55
 C(4)          1.395e+00
    CO2             1.329e+00   1.329e+00     0.124     0.124     0.000     34.40
    (CO2)2          3.242e-02   3.243e-02    -1.489    -1.489     0.000     68.80
-   HCO3-           8.156e-04   7.901e-04    -3.089    -3.102    -0.014     24.64
-   CO3-2           5.762e-11   5.074e-11   -10.239   -10.295    -0.055     -3.45
-H(0)          1.443e-39
-   H2              7.215e-40   7.216e-40   -39.142   -39.142     0.000     28.57
-O(0)          1.320e-14
-   O2              6.601e-15   6.602e-15   -14.180   -14.180     0.000     30.30
+   HCO3-           8.154e-04   7.899e-04    -3.089    -3.102    -0.014     24.81
+   CO3-2           5.762e-11   5.074e-11   -10.239   -10.295    -0.055     -3.30
+H(0)          9.773e-40
+   H2              4.886e-40   4.887e-40   -39.311   -39.311     0.000     28.57
+O(0)          2.878e-14
+   O2              1.439e-14   1.439e-14   -13.842   -13.842     0.000     30.30
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  70 atm)
 
-  CH4(g)         -116.49   -119.34   -2.85  CH4
+  CH4(g)         -117.17   -120.01   -2.85  CH4
   CO2(g)            1.63      0.12   -1.51  CO2	 Pressure  70.2 atm, phi 0.613
-  H2(g)           -36.01    -39.14   -3.14  H2
+  H2(g)           -36.17    -39.31   -3.14  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.2 atm, phi 0.159
-  O2(g)           -11.25    -14.18   -2.93  O2
+  O2(g)           -10.91    -13.84   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1841,13 +1842,13 @@ H2O(g)            -0.61   2.464e-01  0.132   4.502e-02   5.114e-02   6.118e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.097      Charge balance
-                                       pe  =  14.946      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 323
+                                       pe  =  14.914      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 293
                           Density (g/cm³)  =   1.01354
                                Volume (L)  =   1.04694
-                        Viscosity (mPa s)  =   0.88926
+                        Viscosity (mPa s)  =   0.88936
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.247e-04
+                 Ionic strength (mol/kgw)  =   8.244e-04
                        Mass of water (kg)  =   9.991e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.411e+00
@@ -1864,30 +1865,30 @@ H2O(g)            -0.61   2.464e-01  0.132   4.502e-02   5.114e-02   6.118e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.247e-04   7.995e-04    -3.084    -3.097    -0.013      0.00
+   H+              8.244e-04   7.993e-04    -3.084    -3.097    -0.013      0.00
    OH-             1.371e-11   1.327e-11   -10.863   -10.877    -0.014     -3.82
    H2O             5.551e+01   9.766e-01     1.744    -0.010     0.000     18.01
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.859  -119.859     0.000     35.56
+   CH4             0.000e+00   0.000e+00  -119.602  -119.602     0.000     35.56
 C(4)          1.411e+00
    CO2             1.344e+00   1.344e+00     0.128     0.128     0.000     34.40
    (CO2)2          3.314e-02   3.315e-02    -1.480    -1.480     0.000     68.79
-   HCO3-           8.247e-04   7.987e-04    -3.084    -3.098    -0.014     24.65
-   CO3-2           5.829e-11   5.130e-11   -10.234   -10.290    -0.056     -3.36
-H(0)          1.058e-39
-   H2              5.289e-40   5.290e-40   -39.277   -39.277     0.000     28.57
-O(0)          2.406e-14
-   O2              1.203e-14   1.203e-14   -13.920   -13.920     0.000     30.29
+   HCO3-           8.244e-04   7.985e-04    -3.084    -3.098    -0.014     24.84
+   CO3-2           5.830e-11   5.130e-11   -10.234   -10.290    -0.056     -3.21
+H(0)          1.226e-39
+   H2              6.131e-40   6.132e-40   -39.212   -39.212     0.000     28.57
+O(0)          1.790e-14
+   O2              8.949e-15   8.951e-15   -14.048   -14.048     0.000     30.29
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  80 atm)
 
-  CH4(g)         -117.01   -119.86   -2.85  CH4
+  CH4(g)         -116.75   -119.60   -2.85  CH4
   CO2(g)            1.64      0.13   -1.52  CO2	 Pressure  79.9 atm, phi 0.552
-  H2(g)           -36.14    -39.28   -3.14  H2
+  H2(g)           -36.07    -39.21   -3.14  H2
   H2O(g)           -1.49     -0.01    1.48  H2O	 Pressure   0.2 atm, phi 0.132
-  O2(g)           -10.98    -13.92   -2.93  O2
+  O2(g)           -11.11    -14.05   -2.93  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1935,13 +1936,13 @@ H2O(g)            -0.51   3.084e-01  0.107   5.114e-02   5.758e-02   6.433e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.091      Charge balance
-                                       pe  =  14.965      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 328
+                                       pe  =  14.977      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 297
                           Density (g/cm³)  =   1.01434
                                Volume (L)  =   1.04689
-                        Viscosity (mPa s)  =   0.88911
+                        Viscosity (mPa s)  =   0.88921
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   8.371e-04
+                 Ionic strength (mol/kgw)  =   8.368e-04
                        Mass of water (kg)  =   9.989e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.432e+00
@@ -1958,30 +1959,30 @@ H2O(g)            -0.51   3.084e-01  0.107   5.114e-02   5.758e-02   6.433e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.371e-04   8.115e-04    -3.077    -3.091    -0.014      0.00
-   OH-             1.367e-11   1.323e-11   -10.864   -10.878    -0.014     -3.77
+   H+              8.368e-04   8.111e-04    -3.077    -3.091    -0.014      0.00
+   OH-             1.368e-11   1.324e-11   -10.864   -10.878    -0.014     -3.77
    H2O             5.551e+01   9.762e-01     1.744    -0.010     0.000     17.99
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.965  -119.965     0.000     35.58
+   CH4             0.000e+00   0.000e+00  -120.056  -120.056     0.000     35.58
 C(4)          1.432e+00
    CO2             1.363e+00   1.363e+00     0.134     0.134     0.000     34.39
    (CO2)2          3.408e-02   3.409e-02    -1.467    -1.467     0.000     68.78
-   HCO3-           8.371e-04   8.106e-04    -3.077    -3.091    -0.014     24.67
-   CO3-2           5.927e-11   5.212e-11   -10.227   -10.283    -0.056     -3.23
-H(0)          9.805e-40
-   H2              4.902e-40   4.903e-40   -39.310   -39.310     0.000     28.56
-O(0)          2.715e-14
-   O2              1.358e-14   1.358e-14   -13.867   -13.867     0.000     30.26
+   HCO3-           8.368e-04   8.103e-04    -3.077    -3.091    -0.014     24.89
+   CO3-2           5.929e-11   5.213e-11   -10.227   -10.283    -0.056     -3.08
+H(0)          9.303e-40
+   H2              4.651e-40   4.652e-40   -39.332   -39.332     0.000     28.56
+O(0)          3.016e-14
+   O2              1.508e-14   1.508e-14   -13.822   -13.821     0.000     30.26
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,  94 atm)
 
-  CH4(g)         -117.10   -119.96   -2.86  CH4
+  CH4(g)         -117.20   -120.06   -2.86  CH4
   CO2(g)            1.66      0.13   -1.53  CO2	 Pressure  94.1 atm, phi 0.485
-  H2(g)           -36.16    -39.31   -3.15  H2
+  H2(g)           -36.18    -39.33   -3.15  H2
   H2O(g)           -1.48     -0.01    1.47  H2O	 Pressure   0.3 atm, phi 0.107
-  O2(g)           -10.92    -13.87   -2.94  O2
+  O2(g)           -10.88    -13.82   -2.94  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2028,14 +2029,14 @@ H2O(g)            -0.40   3.942e-01  0.085   5.758e-02   6.425e-02   6.677e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.082      Charge balance
-                                       pe  =  15.021      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 334
+                                       pH  =   3.083      Charge balance
+                                       pe  =  14.941      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 303
                           Density (g/cm³)  =   1.01543
                                Volume (L)  =   1.04675
-                        Viscosity (mPa s)  =   0.88890
+                        Viscosity (mPa s)  =   0.88900
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   8.537e-04
+                 Ionic strength (mol/kgw)  =   8.532e-04
                        Mass of water (kg)  =   9.988e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.457e+00
@@ -2043,7 +2044,7 @@ H2O(g)            -0.40   3.942e-01  0.085   5.758e-02   6.425e-02   6.677e-03
                            Pressure (atm)  = 114.16
                   Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  62
+                               Iterations  =  61
                                   Total H  = 1.108839e+02
                                   Total O  = 5.835300e+01
 
@@ -2052,30 +2053,30 @@ H2O(g)            -0.40   3.942e-01  0.085   5.758e-02   6.425e-02   6.677e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.537e-04   8.273e-04    -3.069    -3.082    -0.014      0.00
-   OH-             1.364e-11   1.320e-11   -10.865   -10.879    -0.014     -3.70
+   H+              8.532e-04   8.268e-04    -3.069    -3.083    -0.014      0.00
+   OH-             1.365e-11   1.321e-11   -10.865   -10.879    -0.014     -3.70
    H2O             5.551e+01   9.758e-01     1.744    -0.011     0.000     17.98
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.347  -120.347     0.000     35.61
+   CH4             0.000e+00   0.000e+00  -119.713  -119.713     0.000     35.61
 C(4)          1.457e+00
    CO2             1.386e+00   1.386e+00     0.142     0.142     0.000     34.38
    (CO2)2          3.526e-02   3.526e-02    -1.453    -1.453     0.000     68.76
-   HCO3-           8.537e-04   8.264e-04    -3.069    -3.083    -0.014     24.69
-   CO3-2           6.065e-11   5.326e-11   -10.217   -10.274    -0.056     -3.06
-H(0)          7.714e-40
-   H2              3.857e-40   3.858e-40   -39.414   -39.414     0.000     28.55
-O(0)          4.206e-14
-   O2              2.103e-14   2.103e-14   -13.677   -13.677     0.000     30.24
+   HCO3-           8.532e-04   8.259e-04    -3.069    -3.083    -0.014     24.95
+   CO3-2           6.067e-11   5.329e-11   -10.217   -10.273    -0.056     -2.90
+H(0)          1.111e-39
+   H2              5.555e-40   5.556e-40   -39.255   -39.255     0.000     28.55
+O(0)          2.028e-14
+   O2              1.014e-14   1.014e-14   -13.994   -13.994     0.000     30.24
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 114 atm)
 
-  CH4(g)         -117.47   -120.35   -2.87  CH4
+  CH4(g)         -116.84   -119.71   -2.87  CH4
   CO2(g)            1.68      0.14   -1.54  CO2	 Pressure 113.8 atm, phi 0.420
-  H2(g)           -36.26    -39.41   -3.16  H2
+  H2(g)           -36.10    -39.26   -3.16  H2
   H2O(g)           -1.48     -0.01    1.47  H2O	 Pressure   0.4 atm, phi 0.085
-  O2(g)           -10.72    -13.68   -2.95  O2
+  O2(g)           -11.04    -13.99   -2.95  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2123,13 +2124,13 @@ H2O(g)            -0.29   5.106e-01  0.066   6.425e-02   7.108e-02   6.829e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.072      Charge balance
-                                       pe  =  15.060      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 343
+                                       pe  =  14.978      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 311
                           Density (g/cm³)  =   1.01684
                                Volume (L)  =   1.04648
-                        Viscosity (mPa s)  =   0.88865
+                        Viscosity (mPa s)  =   0.88875
                         Activity of water  =   0.975
-                 Ionic strength (mol/kgw)  =   8.750e-04
+                 Ionic strength (mol/kgw)  =   8.742e-04
                        Mass of water (kg)  =   9.987e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.488e+00
@@ -2146,30 +2147,30 @@ H2O(g)            -0.29   5.106e-01  0.066   6.425e-02   7.108e-02   6.829e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.750e-04   8.477e-04    -3.058    -3.072    -0.014      0.00
-   OH-             1.362e-11   1.317e-11   -10.866   -10.880    -0.014     -3.61
+   H+              8.742e-04   8.470e-04    -3.058    -3.072    -0.014      0.00
+   OH-             1.363e-11   1.318e-11   -10.866   -10.880    -0.014     -3.61
    H2O             5.551e+01   9.753e-01     1.744    -0.011     0.000     17.96
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.580  -120.580     0.000     35.64
+   CH4             0.000e+00   0.000e+00  -119.928  -119.928     0.000     35.64
 C(4)          1.488e+00
    CO2             1.413e+00   1.414e+00     0.150     0.150     0.000     34.37
    (CO2)2          3.667e-02   3.668e-02    -1.436    -1.436     0.000     68.73
-   HCO3-           8.750e-04   8.468e-04    -3.058    -3.072    -0.014     24.73
-   CO3-2           6.251e-11   5.483e-11   -10.204   -10.261    -0.057     -2.83
-H(0)          6.571e-40
-   H2              3.285e-40   3.286e-40   -39.483   -39.483     0.000     28.54
-O(0)          5.476e-14
-   O2              2.738e-14   2.739e-14   -13.563   -13.562     0.000     30.20
+   HCO3-           8.742e-04   8.461e-04    -3.058    -3.073    -0.014     25.03
+   CO3-2           6.256e-11   5.487e-11   -10.204   -10.261    -0.057     -2.66
+H(0)          9.564e-40
+   H2              4.782e-40   4.783e-40   -39.320   -39.320     0.000     28.54
+O(0)          2.585e-14
+   O2              1.292e-14   1.293e-14   -13.889   -13.889     0.000     30.20
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 141 atm)
 
-  CH4(g)         -117.69   -120.58   -2.89  CH4
+  CH4(g)         -117.04   -119.93   -2.89  CH4
   CO2(g)            1.70      0.15   -1.55  CO2	 Pressure 140.2 atm, phi 0.361
-  H2(g)           -36.31    -39.48   -3.17  H2
+  H2(g)           -36.15    -39.32   -3.17  H2
   H2O(g)           -1.47     -0.01    1.46  H2O	 Pressure   0.5 atm, phi 0.066
-  O2(g)           -10.60    -13.56   -2.97  O2
+  O2(g)           -10.92    -13.89   -2.97  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2224,21 +2225,21 @@ H2O(g)            -0.18   6.655e-01  0.052   7.108e-02   7.795e-02   6.869e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.059      Charge balance
-                                       pe  =  16.076      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 353
+                                       pe  =  15.552      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 320
                           Density (g/cm³)  =   1.01866
                                Volume (L)  =   1.04600
-                        Viscosity (mPa s)  =   0.88835
+                        Viscosity (mPa s)  =   0.88844
                         Activity of water  =   0.975
-                 Ionic strength (mol/kgw)  =   9.022e-04
+                 Ionic strength (mol/kgw)  =   9.010e-04
                        Mass of water (kg)  =   9.986e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.523e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 175.50
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.214e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  40 (141 overall)
+                               Iterations  =  48 (149 overall)
                                   Total H  = 1.108565e+02
                                   Total O  = 5.846928e+01
 
@@ -2247,30 +2248,30 @@ H2O(g)            -0.18   6.655e-01  0.052   7.108e-02   7.795e-02   6.869e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.022e-04   8.736e-04    -3.045    -3.059    -0.014      0.00
-   OH-             1.361e-11   1.316e-11   -10.866   -10.881    -0.015     -3.49
+   H+              9.010e-04   8.725e-04    -3.045    -3.059    -0.014      0.00
+   OH-             1.363e-11   1.317e-11   -10.866   -10.880    -0.015     -3.49
    H2O             5.551e+01   9.748e-01     1.744    -0.011     0.000     17.93
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.619  -128.619     0.000     35.68
+   CH4             0.000e+00   0.000e+00  -124.435  -124.435     0.000     35.68
 C(4)          1.523e+00
    CO2             1.445e+00   1.445e+00     0.160     0.160     0.000     34.35
    (CO2)2          3.833e-02   3.834e-02    -1.416    -1.416     0.000     68.70
-   HCO3-           9.022e-04   8.727e-04    -3.045    -3.059    -0.014     24.77
-   CO3-2           6.500e-11   5.692e-11   -10.187   -10.245    -0.058     -2.53
+   HCO3-           9.010e-04   8.715e-04    -3.045    -3.060    -0.014     25.14
+   CO3-2           6.509e-11   5.700e-11   -10.186   -10.244    -0.058     -2.36
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.508   -41.507     0.000     28.53
-O(0)          5.684e-10
-   O2              2.842e-10   2.842e-10    -9.546    -9.546     0.000     30.15
+   H2              0.000e+00   0.000e+00   -40.461   -40.461     0.000     28.53
+O(0)          4.595e-12
+   O2              2.298e-12   2.298e-12   -11.639   -11.639     0.000     30.15
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 176 atm)
 
-  CH4(g)         -125.71   -128.62   -2.91  CH4
+  CH4(g)         -121.52   -124.43   -2.91  CH4
   CO2(g)            1.73      0.16   -1.57  CO2	 Pressure 174.8 atm, phi 0.310
-  H2(g)           -38.32    -41.51   -3.19  H2
+  H2(g)           -37.27    -40.46   -3.19  H2
   H2O(g)           -1.46     -0.01    1.45  H2O	 Pressure   0.7 atm, phi 0.052
-  O2(g)            -6.56     -9.55   -2.99  O2
+  O2(g)            -8.65    -11.64   -2.99  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2324,54 +2325,54 @@ H2O(g)            -0.06   8.678e-01  0.041   7.795e-02   8.472e-02   6.772e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.043      Charge balance
-                                       pe  =  16.091      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 367
+                                       pH  =   3.044      Charge balance
+                                       pe  =  16.115      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 333
                           Density (g/cm³)  =   1.02093
                                Volume (L)  =   1.04525
-                        Viscosity (mPa s)  =   0.88802
+                        Viscosity (mPa s)  =   0.88812
                         Activity of water  =   0.974
-                 Ionic strength (mol/kgw)  =   9.364e-04
+                 Ionic strength (mol/kgw)  =   9.345e-04
                        Mass of water (kg)  =   9.985e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.562e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 220.47
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  35 (136 overall)
+                               Iterations  =  38 (139 overall)
                                   Total H  = 1.108430e+02
-                                  Total O  = 5.854161e+01
+                                  Total O  = 5.854160e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.364e-04   9.063e-04    -3.029    -3.043    -0.014      0.00
-   OH-             1.362e-11   1.316e-11   -10.866   -10.881    -0.015     -3.34
+   H+              9.345e-04   9.045e-04    -3.029    -3.044    -0.014      0.00
+   OH-             1.365e-11   1.319e-11   -10.865   -10.880    -0.015     -3.34
    H2O             5.551e+01   9.741e-01     1.744    -0.011     0.000     17.89
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.630  -128.630     0.000     35.73
+   CH4             0.000e+00   0.000e+00  -128.831  -128.831     0.000     35.73
 C(4)          1.562e+00
    CO2             1.481e+00   1.481e+00     0.171     0.171     0.000     34.33
    (CO2)2          4.026e-02   4.027e-02    -1.395    -1.395     0.000     68.66
-   HCO3-           9.364e-04   9.053e-04    -3.029    -3.043    -0.015     24.82
-   CO3-2           6.829e-11   5.967e-11   -10.166   -10.224    -0.059     -2.16
+   HCO3-           9.345e-04   9.035e-04    -3.029    -3.044    -0.015     25.28
+   CO3-2           6.845e-11   5.982e-11   -10.165   -10.223    -0.059     -1.98
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.528   -41.528     0.000     28.51
-O(0)          5.685e-10
-   O2              2.842e-10   2.843e-10    -9.546    -9.546     0.000     30.09
+   H2              0.000e+00   0.000e+00   -41.579   -41.578     0.000     28.51
+O(0)          7.163e-10
+   O2              3.582e-10   3.582e-10    -9.446    -9.446     0.000     30.09
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 220 atm)
 
-  CH4(g)         -125.69   -128.63   -2.94  CH4
+  CH4(g)         -125.89   -128.83   -2.94  CH4
   CO2(g)            1.77      0.17   -1.60  CO2	 Pressure 219.6 atm, phi 0.270
-  H2(g)           -38.32    -41.53   -3.21  H2
+  H2(g)           -38.37    -41.58   -3.21  H2
   H2O(g)           -1.44     -0.01    1.43  H2O	 Pressure   0.9 atm, phi 0.041
-  O2(g)            -6.54     -9.55   -3.01  O2
+  O2(g)            -6.44     -9.45   -3.01  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2425,54 +2426,54 @@ H2O(g)             0.05   1.127e+00  0.033   8.472e-02   9.124e-02   6.514e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.023      Charge balance
-                                       pe  =  16.109      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 384
+                                       pH  =   3.025      Charge balance
+                                       pe  =  16.133      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 349
                           Density (g/cm³)  =   1.02376
                                Volume (L)  =   1.04415
-                        Viscosity (mPa s)  =   0.88771
+                        Viscosity (mPa s)  =   0.88780
                         Activity of water  =   0.973
-                 Ionic strength (mol/kgw)  =   9.794e-04
+                 Ionic strength (mol/kgw)  =   9.763e-04
                        Mass of water (kg)  =   9.983e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.607e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 277.89
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.108300e+02
-                                  Total O  = 5.862319e+01
+                                  Total O  = 5.862318e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.794e-04   9.474e-04    -3.009    -3.023    -0.014      0.00
-   OH-             1.366e-11   1.319e-11   -10.865   -10.880    -0.015     -3.15
+   H+              9.763e-04   9.444e-04    -3.010    -3.025    -0.014      0.00
+   OH-             1.370e-11   1.323e-11   -10.863   -10.878    -0.015     -3.15
    H2O             5.551e+01   9.734e-01     1.744    -0.012     0.000     17.85
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.646  -128.646     0.000     35.80
+   CH4             0.000e+00   0.000e+00  -128.847  -128.846     0.000     35.80
 C(4)          1.607e+00
    CO2             1.521e+00   1.521e+00     0.182     0.182     0.000     34.30
    (CO2)2          4.246e-02   4.247e-02    -1.372    -1.372     0.000     68.61
-   HCO3-           9.794e-04   9.463e-04    -3.009    -3.024    -0.015     24.89
-   CO3-2           7.261e-11   6.329e-11   -10.139   -10.199    -0.060     -1.70
+   HCO3-           9.763e-04   9.433e-04    -3.010    -3.025    -0.015     25.45
+   CO3-2           7.290e-11   6.355e-11   -10.137   -10.197    -0.060     -1.51
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.555   -41.555     0.000     28.48
-O(0)          5.685e-10
-   O2              2.843e-10   2.843e-10    -9.546    -9.546     0.000     30.02
+   H2              0.000e+00   0.000e+00   -41.605   -41.605     0.000     28.48
+O(0)          7.164e-10
+   O2              3.582e-10   3.583e-10    -9.446    -9.446     0.000     30.02
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 278 atm)
 
-  CH4(g)         -125.67   -128.65   -2.98  CH4
+  CH4(g)         -125.87   -128.85   -2.98  CH4
   CO2(g)            1.82      0.18   -1.64  CO2	 Pressure 276.8 atm, phi 0.238
-  H2(g)           -38.31    -41.55   -3.24  H2
+  H2(g)           -38.36    -41.60   -3.24  H2
   H2O(g)           -1.43     -0.01    1.42  H2O	 Pressure   1.1 atm, phi 0.033
-  O2(g)            -6.51     -9.55   -3.04  O2
+  O2(g)            -6.41     -9.45   -3.04  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2526,54 +2527,54 @@ H2O(g)             0.16   1.455e+00  0.027   9.124e-02   9.730e-02   6.064e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.000      Charge balance
-                                       pe  =  16.130      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 405
+                                       pH  =   3.003      Charge balance
+                                       pe  =  16.153      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 368
                           Density (g/cm³)  =   1.02723
                                Volume (L)  =   1.04258
-                        Viscosity (mPa s)  =   0.88747
+                        Viscosity (mPa s)  =   0.88755
                         Activity of water  =   0.973
-                 Ionic strength (mol/kgw)  =   1.033e-03
+                 Ionic strength (mol/kgw)  =   1.028e-03
                        Mass of water (kg)  =   9.982e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.655e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 350.70
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  35 (136 overall)
+                               Iterations  =  36 (137 overall)
                                   Total H  = 1.108178e+02
-                                  Total O  = 5.871355e+01
+                                  Total O  = 5.871354e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.033e-03   9.990e-04    -2.986    -3.000    -0.015      0.00
-   OH-             1.373e-11   1.325e-11   -10.862   -10.878    -0.016     -2.93
+   H+              1.028e-03   9.942e-04    -2.988    -3.003    -0.015      0.00
+   OH-             1.380e-11   1.332e-11   -10.860   -10.876    -0.016     -2.93
    H2O             5.551e+01   9.726e-01     1.744    -0.012     0.000     17.79
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.668  -128.668     0.000     35.87
+   CH4             0.000e+00   0.000e+00  -128.869  -128.869     0.000     35.87
 C(4)          1.655e+00
    CO2             1.564e+00   1.565e+00     0.194     0.194     0.000     34.27
    (CO2)2          4.492e-02   4.493e-02    -1.348    -1.347     0.000     68.54
-   HCO3-           1.033e-03   9.978e-04    -2.986    -3.001    -0.015     24.98
-   CO3-2           7.829e-11   6.803e-11   -10.106   -10.167    -0.061     -1.13
+   HCO3-           1.028e-03   9.930e-04    -2.988    -3.003    -0.015     25.66
+   CO3-2           7.880e-11   6.850e-11   -10.103   -10.164    -0.061     -0.93
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.588   -41.588     0.000     28.46
-O(0)          5.686e-10
-   O2              2.843e-10   2.844e-10    -9.546    -9.546     0.000     29.93
+   H2              0.000e+00   0.000e+00   -41.638   -41.638     0.000     28.46
+O(0)          7.165e-10
+   O2              3.583e-10   3.583e-10    -9.446    -9.446     0.000     29.93
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 351 atm)
 
-  CH4(g)         -125.64   -128.67   -3.02  CH4
+  CH4(g)         -125.84   -128.87   -3.02  CH4
   CO2(g)            1.88      0.19   -1.68  CO2	 Pressure 349.2 atm, phi 0.215
-  H2(g)           -38.31    -41.59   -3.28  H2
+  H2(g)           -38.36    -41.64   -3.28  H2
   H2O(g)           -1.40     -0.01    1.39  H2O	 Pressure   1.5 atm, phi 0.027
-  O2(g)            -6.47     -9.55   -3.08  O2
+  O2(g)            -6.37     -9.45   -3.08  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2627,54 +2628,54 @@ H2O(g)             0.27   1.863e+00  0.023   9.730e-02   1.027e-01   5.386e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.973      Charge balance
-                                       pe  =  16.156      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 432
+                                       pH  =   2.976      Charge balance
+                                       pe  =  16.178      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 393
                           Density (g/cm³)  =   1.03147
-                               Volume (L)  =   1.04040
-                        Viscosity (mPa s)  =   0.88743
+                               Volume (L)  =   1.04041
+                        Viscosity (mPa s)  =   0.88750
                         Activity of water  =   0.972
-                 Ionic strength (mol/kgw)  =   1.102e-03
+                 Ionic strength (mol/kgw)  =   1.094e-03
                        Mass of water (kg)  =   9.981e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.707e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 442.66
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.108071e+02
-                                  Total O  = 5.881181e+01
+                                  Total O  = 5.881180e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.102e-03   1.064e-03    -2.958    -2.973    -0.015      0.00
-   OH-             1.385e-11   1.335e-11   -10.858   -10.874    -0.016     -2.66
+   H+              1.094e-03   1.056e-03    -2.961    -2.976    -0.015      0.00
+   OH-             1.395e-11   1.345e-11   -10.855   -10.871    -0.016     -2.66
    H2O             5.551e+01   9.718e-01     1.744    -0.012     0.000     17.73
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.699  -128.699     0.000     35.96
+   CH4             0.000e+00   0.000e+00  -128.900  -128.899     0.000     35.96
 C(4)          1.707e+00
    CO2             1.611e+00   1.611e+00     0.207     0.207     0.000     34.23
    (CO2)2          4.764e-02   4.765e-02    -1.322    -1.322     0.000     68.46
-   HCO3-           1.102e-03   1.063e-03    -2.958    -2.974    -0.016     25.08
-   CO3-2           8.579e-11   7.426e-11   -10.067   -10.129    -0.063     -0.45
+   HCO3-           1.094e-03   1.055e-03    -2.961    -2.977    -0.016     25.91
+   CO3-2           8.669e-11   7.509e-11   -10.062   -10.124    -0.062     -0.24
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.630   -41.630     0.000     28.42
-O(0)          5.686e-10
-   O2              2.843e-10   2.844e-10    -9.546    -9.546     0.000     29.83
+   H2              0.000e+00   0.000e+00   -41.680   -41.680     0.000     28.42
+O(0)          7.166e-10
+   O2              3.583e-10   3.584e-10    -9.446    -9.446     0.000     29.83
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 443 atm)
 
-  CH4(g)         -125.61   -128.70   -3.08  CH4
+  CH4(g)         -125.82   -128.90   -3.08  CH4
   CO2(g)            1.94      0.21   -1.74  CO2	 Pressure 440.8 atm, phi 0.199
-  H2(g)           -38.31    -41.63   -3.32  H2
+  H2(g)           -38.36    -41.68   -3.32  H2
   H2O(g)           -1.38     -0.01    1.36  H2O	 Pressure   1.9 atm, phi 0.023
-  O2(g)            -6.42     -9.55   -3.13  O2
+  O2(g)            -6.32     -9.45   -3.13  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2711,7 +2712,7 @@ Reaction 1.
 Total pressure: 558.75      atmospheres          (Peng-Robinson calculation)
     Gas volume:   1.00e+00 liters
   Molar volume:   3.95e-02 liters/mole
-   P * Vm / RT:  0.90094  (Compressibility Factor Z) 
+   P * Vm / RT:  0.90095  (Compressibility Factor Z) 
 
                                                         Moles in gas
                                             ----------------------------------
@@ -2728,54 +2729,54 @@ H2O(g)             0.37   2.361e+00  0.019   1.027e-01   1.071e-01   4.442e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.940      Charge balance
-                                       pe  =  16.186      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 466
+                                       pH  =   2.945      Charge balance
+                                       pe  =  16.206      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 425
                           Density (g/cm³)  =   1.03663
                                Volume (L)  =   1.03747
-                        Viscosity (mPa s)  =   0.88778
+                        Viscosity (mPa s)  =   0.88783
                         Activity of water  =   0.971
-                 Ionic strength (mol/kgw)  =   1.189e-03
+                 Ionic strength (mol/kgw)  =   1.176e-03
                        Mass of water (kg)  =   9.980e-01
-                 Total alkalinity (eq/kg)  =   1.214e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.762e+00
                          Temperature (°C)  =  25.00
                            Pressure (atm)  = 558.75
-                  Electrical balance (eq)  =  -1.211e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  32 (133 overall)
+                               Iterations  =  37 (138 overall)
                                   Total H  = 1.107982e+02
-                                  Total O  = 5.891647e+01
+                                  Total O  = 5.891645e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.189e-03   1.147e-03    -2.925    -2.940    -0.016      0.00
-   OH-             1.403e-11   1.350e-11   -10.853   -10.870    -0.016     -2.33
+   H+              1.176e-03   1.135e-03    -2.930    -2.945    -0.015      0.00
+   OH-             1.418e-11   1.366e-11   -10.848   -10.865    -0.016     -2.33
    H2O             5.551e+01   9.709e-01     1.744    -0.013     0.000     17.64
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -128.741  -128.741     0.000     36.07
+   CH4             0.000e+00   0.000e+00  -128.942  -128.941     0.000     36.07
 C(4)          1.762e+00
    CO2             1.660e+00   1.660e+00     0.220     0.220     0.000     34.18
    (CO2)2          5.057e-02   5.059e-02    -1.296    -1.296     0.000     68.35
-   HCO3-           1.189e-03   1.146e-03    -2.925    -2.941    -0.016     25.21
-   CO3-2           9.577e-11   8.253e-11   -10.019   -10.083    -0.065      0.35
+   HCO3-           1.176e-03   1.133e-03    -2.930    -2.946    -0.016     26.21
+   CO3-2           9.737e-11   8.398e-11   -10.012   -10.076    -0.064      0.59
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -41.683   -41.683     0.000     28.38
-O(0)          5.687e-10
-   O2              2.843e-10   2.844e-10    -9.546    -9.546     0.000     29.70
+   H2              0.000e+00   0.000e+00   -41.733   -41.733     0.000     28.38
+O(0)          7.167e-10
+   O2              3.583e-10   3.584e-10    -9.446    -9.446     0.000     29.70
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K, 559 atm)
 
-  CH4(g)         -125.58   -128.74   -3.16  CH4
+  CH4(g)         -125.78   -128.94   -3.16  CH4
   CO2(g)            2.03      0.22   -1.81  CO2	 Pressure 556.4 atm, phi 0.191
-  H2(g)           -38.30    -41.68   -3.38  H2
+  H2(g)           -38.35    -41.73   -3.38  H2
   H2O(g)           -1.34     -0.01    1.33  H2O	 Pressure   2.4 atm, phi 0.019
-  O2(g)            -6.36     -9.55   -3.19  O2
+  O2(g)            -6.26     -9.45   -3.19  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -2931,11 +2932,11 @@ H2O(g)            -0.85   1.400e-01  0.872   4.591e-03   5.717e-03   1.126e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.402      Charge balance
-                                       pe  =  12.494      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 207
+                                       pe  =  12.495      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 205
                           Density (g/cm³)  =   0.99137
                                Volume (L)  =   1.02222
-                        Viscosity (mPa s)  =   0.54697
+                        Viscosity (mPa s)  =   0.54698
                         Activity of water  =   0.995
                  Ionic strength (mol/kgw)  =   4.059e-04
                        Mass of water (kg)  =   9.999e-01
@@ -2958,16 +2959,16 @@ H2O(g)            -0.85   1.400e-01  0.872   4.591e-03   5.717e-03   1.126e-03
    OH-             1.426e-10   1.392e-10    -9.846    -9.856    -0.011     -3.83
    H2O             5.551e+01   9.948e-01     1.744    -0.002     0.000     18.22
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -106.546  -106.546     0.000     37.34
+   CH4             0.000e+00   0.000e+00  -106.551  -106.551     0.000     37.34
 C(4)          3.070e-01
    CO2             2.998e-01   2.998e-01    -0.523    -0.523     0.000     35.64
    (CO2)2          3.375e-03   3.375e-03    -2.472    -2.472     0.000     71.28
-   HCO3-           4.059e-04   3.963e-04    -3.392    -3.402    -0.010     25.63
-   CO3-2           7.490e-11   6.807e-11   -10.126   -10.167    -0.042     -3.03
-H(0)          1.787e-35
-   H2              8.933e-36   8.934e-36   -35.049   -35.049     0.000     28.58
-O(0)          2.783e-15
-   O2              1.391e-15   1.391e-15   -14.857   -14.857     0.000     31.89
+   HCO3-           4.059e-04   3.963e-04    -3.392    -3.402    -0.010     25.62
+   CO3-2           7.490e-11   6.807e-11   -10.126   -10.167    -0.042     -3.09
+H(0)          1.781e-35
+   H2              8.907e-36   8.908e-36   -35.050   -35.050     0.000     28.58
+O(0)          2.799e-15
+   O2              1.399e-15   1.400e-15   -14.854   -14.854     0.000     31.89
 
 ------------------------------Saturation indices-------------------------------
 
@@ -2977,7 +2978,7 @@ O(0)          2.783e-15
   CO2(g)            1.20     -0.52   -1.72  CO2	 Pressure  17.0 atm, phi 0.928
   H2(g)           -31.91    -35.05   -3.14  H2
   H2O(g)           -0.91     -0.00    0.91  H2O	 Pressure   0.1 atm, phi 0.872
-  O2(g)           -11.82    -14.86   -3.04  O2
+  O2(g)           -11.82    -14.85   -3.04  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3026,11 +3027,11 @@ H2O(g)            -0.79   1.615e-01  0.761   5.717e-03   7.178e-03   1.461e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.277      Charge balance
-                                       pe  =   2.576      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 277
+                                       pe  =   2.454      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 270
                           Density (g/cm³)  =   0.99409
                                Volume (L)  =   1.03007
-                        Viscosity (mPa s)  =   0.54733
+                        Viscosity (mPa s)  =   0.54734
                         Activity of water  =   0.991
                  Ionic strength (mol/kgw)  =   5.432e-04
                        Mass of water (kg)  =   9.999e-01
@@ -3040,7 +3041,7 @@ H2O(g)            -0.79   1.615e-01  0.761   5.717e-03   7.178e-03   1.461e-03
                            Pressure (atm)  = 32.84
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  38
+                               Iterations  =  35
                                   Total H  = 1.109981e+02
                                   Total O  = 5.659456e+01
 
@@ -3052,27 +3053,27 @@ H2O(g)            -0.79   1.615e-01  0.761   5.717e-03   7.178e-03   1.461e-03
    H+              5.432e-04   5.288e-04    -3.265    -3.277    -0.012      0.00
    OH-             1.083e-10   1.053e-10    -9.965    -9.978    -0.012     -3.84
    H2O             5.551e+01   9.909e-01     1.744    -0.004     0.000     18.21
-C(-4)         1.084e-26
-   CH4             1.084e-26   1.084e-26   -25.965   -25.965     0.000     37.35
+C(-4)         1.040e-25
+   CH4             1.040e-25   1.040e-25   -24.983   -24.983     0.000     37.35
 C(4)          5.478e-01
    CO2             5.265e-01   5.265e-01    -0.279    -0.279     0.000     35.62
    (CO2)2          1.041e-02   1.041e-02    -1.983    -1.983     0.000     71.25
-   HCO3-           5.432e-04   5.285e-04    -3.265    -3.277    -0.012     25.66
-   CO3-2           7.725e-11   6.921e-11   -10.112   -10.160    -0.048     -2.85
-H(0)          2.140e-15
-   H2              1.070e-15   1.070e-15   -14.971   -14.971     0.000     28.57
+   HCO3-           5.432e-04   5.284e-04    -3.265    -3.277    -0.012     25.68
+   CO3-2           7.726e-11   6.922e-11   -10.112   -10.160    -0.048     -2.93
+H(0)          3.765e-15
+   H2              1.883e-15   1.883e-15   -14.725   -14.725     0.000     28.57
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -55.030   -55.030     0.000     31.85
+   O2              0.000e+00   0.000e+00   -55.521   -55.521     0.000     31.85
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  33 atm)
 
-  CH4(g)          -22.99    -25.96   -2.98  CH4
+  CH4(g)          -22.00    -24.98   -2.98  CH4
   CO2(g)            1.45     -0.28   -1.73  CO2	 Pressure  32.7 atm, phi 0.864
-  H2(g)           -11.82    -14.97   -3.15  H2
+  H2(g)           -11.57    -14.73   -3.15  H2
   H2O(g)           -0.91     -0.00    0.91  H2O	 Pressure   0.2 atm, phi 0.761
-  O2(g)           -51.98    -55.03   -3.05  O2
+  O2(g)           -52.47    -55.52   -3.05  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3121,11 +3122,11 @@ H2O(g)            -0.73   1.861e-01  0.665   7.178e-03   9.044e-03   1.866e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.215      Charge balance
-                                       pe  =   2.255      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 320
+                                       pe  =   2.643      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 308
                           Density (g/cm³)  =   0.99620
                                Volume (L)  =   1.03584
-                        Viscosity (mPa s)  =   0.54764
+                        Viscosity (mPa s)  =   0.54765
                         Activity of water  =   0.988
                  Ionic strength (mol/kgw)  =   6.276e-04
                        Mass of water (kg)  =   9.998e-01
@@ -3145,29 +3146,29 @@ H2O(g)            -0.73   1.861e-01  0.665   7.178e-03   9.044e-03   1.866e-03
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
    H+              6.276e-04   6.099e-04    -3.202    -3.215    -0.012      0.00
-   OH-             9.490e-11   9.211e-11   -10.023   -10.036    -0.013     -3.86
+   OH-             9.491e-11   9.211e-11   -10.023   -10.036    -0.013     -3.86
    H2O             5.551e+01   9.879e-01     1.744    -0.005     0.000     18.20
-C(-4)         1.625e-23
-   CH4             1.625e-23   1.625e-23   -22.789   -22.789     0.000     37.36
+C(-4)         1.291e-26
+   CH4             1.291e-26   1.291e-26   -25.889   -25.889     0.000     37.36
 C(4)          7.286e-01
    CO2             6.920e-01   6.921e-01    -0.160    -0.160     0.000     35.61
    (CO2)2          1.798e-02   1.798e-02    -1.745    -1.745     0.000     71.22
-   HCO3-           6.276e-04   6.094e-04    -3.202    -3.215    -0.013     25.69
-   CO3-2           7.902e-11   7.024e-11   -10.102   -10.153    -0.051     -2.70
-H(0)          1.229e-14
-   H2              6.145e-15   6.146e-15   -14.211   -14.211     0.000     28.57
+   HCO3-           6.276e-04   6.094e-04    -3.202    -3.215    -0.013     25.74
+   CO3-2           7.904e-11   7.026e-11   -10.102   -10.153    -0.051     -2.79
+H(0)          2.063e-15
+   H2              1.032e-15   1.032e-15   -14.986   -14.986     0.000     28.57
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -56.563   -56.563     0.000     31.82
+   O2              0.000e+00   0.000e+00   -55.013   -55.013     0.000     31.82
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  47 atm)
 
-  CH4(g)          -19.80    -22.79   -2.99  CH4
+  CH4(g)          -22.90    -25.89   -2.99  CH4
   CO2(g)            1.58     -0.16   -1.74  CO2	 Pressure  46.7 atm, phi 0.809
-  H2(g)           -11.05    -14.21   -3.16  H2
+  H2(g)           -11.83    -14.99   -3.16  H2
   H2O(g)           -0.91     -0.01    0.90  H2O	 Pressure   0.2 atm, phi 0.665
-  O2(g)           -53.51    -56.56   -3.05  O2
+  O2(g)           -51.96    -55.01   -3.05  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3216,21 +3217,21 @@ H2O(g)            -0.67   2.136e-01  0.583   9.044e-03   1.139e-02   2.342e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.178      Charge balance
-                                       pe  =   2.294      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 348
+                                       pe  =  12.681      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 333
                           Density (g/cm³)  =   0.99780
                                Volume (L)  =   1.03988
-                        Viscosity (mPa s)  =   0.54790
+                        Viscosity (mPa s)  =   0.54791
                         Activity of water  =   0.986
                  Ionic strength (mol/kgw)  =   6.831e-04
                        Mass of water (kg)  =   9.998e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   8.589e-01
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 59.15
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  22
+                               Iterations  =  30
                                   Total H  = 1.109897e+02
                                   Total O  = 5.721235e+01
 
@@ -3239,30 +3240,30 @@ H2O(g)            -0.67   2.136e-01  0.583   9.044e-03   1.139e-02   2.342e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.831e-04   6.631e-04    -3.166    -3.178    -0.013      0.00
-   OH-             8.811e-11   8.541e-11   -10.055   -10.069    -0.014     -3.87
+   H+              6.831e-04   6.630e-04    -3.166    -3.178    -0.013      0.00
+   OH-             8.811e-11   8.541e-11   -10.055   -10.068    -0.014     -3.87
    H2O             5.551e+01   9.858e-01     1.744    -0.006     0.000     18.19
-C(-4)         1.791e-23
-   CH4             1.791e-23   1.791e-23   -22.747   -22.747     0.000     37.37
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -105.840  -105.840     0.000     37.37
 C(4)          8.589e-01
    CO2             8.091e-01   8.092e-01    -0.092    -0.092     0.000     35.60
    (CO2)2          2.458e-02   2.458e-02    -1.609    -1.609     0.000     71.19
-   HCO3-           6.831e-04   6.625e-04    -3.166    -3.179    -0.013     25.71
-   CO3-2           8.042e-11   7.115e-11   -10.095   -10.148    -0.053     -2.57
-H(0)          1.199e-14
-   H2              5.996e-15   5.997e-15   -14.222   -14.222     0.000     28.56
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -56.554   -56.554     0.000     31.79
+   HCO3-           6.831e-04   6.625e-04    -3.166    -3.179    -0.013     25.79
+   CO3-2           8.045e-11   7.117e-11   -10.094   -10.148    -0.053     -2.68
+H(0)          2.022e-35
+   H2              1.011e-35   1.011e-35   -34.995   -34.995     0.000     28.56
+O(0)          1.963e-15
+   O2              9.815e-16   9.816e-16   -15.008   -15.008     0.000     31.79
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  59 atm)
 
-  CH4(g)          -19.75    -22.75   -2.99  CH4
+  CH4(g)         -102.84   -105.84   -2.99  CH4
   CO2(g)            1.65     -0.09   -1.74  CO2	 Pressure  58.9 atm, phi 0.763
-  H2(g)           -11.06    -14.22   -3.16  H2
+  H2(g)           -31.83    -35.00   -3.16  H2
   H2O(g)           -0.90     -0.01    0.90  H2O	 Pressure   0.2 atm, phi 0.583
-  O2(g)           -53.49    -56.55   -3.06  O2
+  O2(g)           -11.95    -15.01   -3.06  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3311,15 +3312,15 @@ H2O(g)            -0.61   2.437e-01  0.514   1.139e-02   1.427e-02   2.881e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.156      Charge balance
-                                       pe  =   2.084      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 367
+                                       pe  =  12.723      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 349
                           Density (g/cm³)  =   0.99898
                                Volume (L)  =   1.04261
-                        Viscosity (mPa s)  =   0.54812
+                        Viscosity (mPa s)  =   0.54813
                         Activity of water  =   0.984
-                 Ionic strength (mol/kgw)  =   7.203e-04
+                 Ionic strength (mol/kgw)  =   7.202e-04
                        Mass of water (kg)  =   9.997e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   9.501e-01
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 69.44
@@ -3334,30 +3335,30 @@ H2O(g)            -0.61   2.437e-01  0.514   1.139e-02   1.427e-02   2.881e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.203e-04   6.987e-04    -3.142    -3.156    -0.013      0.00
-   OH-             8.428e-11   8.163e-11   -10.074   -10.088    -0.014     -3.88
+   H+              7.202e-04   6.986e-04    -3.143    -3.156    -0.013      0.00
+   OH-             8.429e-11   8.164e-11   -10.074   -10.088    -0.014     -3.88
    H2O             5.551e+01   9.843e-01     1.744    -0.007     0.000     18.18
-C(-4)         1.408e-21
-   CH4             1.408e-21   1.408e-21   -20.851   -20.851     0.000     37.37
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -105.961  -105.961     0.000     37.37
 C(4)          9.501e-01
    CO2             8.899e-01   8.900e-01    -0.051    -0.051     0.000     35.58
    (CO2)2          2.973e-02   2.974e-02    -1.527    -1.527     0.000     71.17
-   HCO3-           7.203e-04   6.980e-04    -3.142    -3.156    -0.014     25.73
-   CO3-2           8.154e-11   7.191e-11   -10.089   -10.143    -0.055     -2.47
-H(0)          3.459e-14
-   H2              1.729e-14   1.730e-14   -13.762   -13.762     0.000     28.55
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.485   -57.485     0.000     31.77
+   HCO3-           7.202e-04   6.979e-04    -3.143    -3.156    -0.014     25.83
+   CO3-2           8.158e-11   7.195e-11   -10.088   -10.143    -0.055     -2.58
+H(0)          1.826e-35
+   H2              9.132e-36   9.134e-36   -35.039   -35.039     0.000     28.55
+O(0)          2.350e-15
+   O2              1.175e-15   1.175e-15   -14.930   -14.930     0.000     31.77
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  69 atm)
 
-  CH4(g)          -17.85    -20.85   -3.00  CH4
+  CH4(g)         -102.96   -105.96   -3.00  CH4
   CO2(g)            1.70     -0.05   -1.75  CO2	 Pressure  69.2 atm, phi 0.724
-  H2(g)           -10.59    -13.76   -3.17  H2
+  H2(g)           -31.87    -35.04   -3.17  H2
   H2O(g)           -0.90     -0.01    0.90  H2O	 Pressure   0.2 atm, phi 0.514
-  O2(g)           -54.42    -57.48   -3.07  O2
+  O2(g)           -11.86    -14.93   -3.07  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3406,15 +3407,15 @@ H2O(g)            -0.56   2.762e-01  0.456   1.427e-02   1.774e-02   3.477e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.141      Charge balance
-                                       pe  =   1.995      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 380
+                                       pe  =  12.654      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 359
                           Density (g/cm³)  =   0.99985
                                Volume (L)  =   1.04438
-                        Viscosity (mPa s)  =   0.54830
+                        Viscosity (mPa s)  =   0.54831
                         Activity of water  =   0.983
-                 Ionic strength (mol/kgw)  =   7.455e-04
+                 Ionic strength (mol/kgw)  =   7.453e-04
                        Mass of water (kg)  =   9.997e-01
-                 Total alkalinity (eq/kg)  =   1.220e-09
+                 Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.013e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 77.91
@@ -3429,30 +3430,30 @@ H2O(g)            -0.56   2.762e-01  0.456   1.427e-02   1.774e-02   3.477e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.455e-04   7.228e-04    -3.128    -3.141    -0.013      0.00
-   OH-             8.201e-11   7.939e-11   -10.086   -10.100    -0.014     -3.89
+   H+              7.453e-04   7.226e-04    -3.128    -3.141    -0.013      0.00
+   OH-             8.202e-11   7.941e-11   -10.086   -10.100    -0.014     -3.89
    H2O             5.551e+01   9.833e-01     1.744    -0.007     0.000     18.17
-C(-4)         1.000e-20
-   CH4             1.000e-20   1.000e-20   -20.000   -20.000     0.000     37.38
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -105.271  -105.271     0.000     37.38
 C(4)          1.013e+00
    CO2             9.448e-01   9.449e-01    -0.025    -0.025     0.000     35.58
    (CO2)2          3.351e-02   3.352e-02    -1.475    -1.475     0.000     71.15
-   HCO3-           7.455e-04   7.221e-04    -3.128    -3.141    -0.014     25.74
-   CO3-2           8.242e-11   7.255e-11   -10.084   -10.139    -0.055     -2.38
-H(0)          5.526e-14
-   H2              2.763e-14   2.763e-14   -13.559   -13.559     0.000     28.55
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.900   -57.900     0.000     31.75
+   HCO3-           7.453e-04   7.219e-04    -3.128    -3.142    -0.014     25.86
+   CO3-2           8.247e-11   7.259e-11   -10.084   -10.139    -0.055     -2.50
+H(0)          2.659e-35
+   H2              1.330e-35   1.330e-35   -34.876   -34.876     0.000     28.55
+O(0)          1.088e-15
+   O2              5.440e-16   5.441e-16   -15.264   -15.264     0.000     31.75
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  78 atm)
 
-  CH4(g)          -16.99    -20.00   -3.01  CH4
+  CH4(g)         -102.26   -105.27   -3.01  CH4
   CO2(g)            1.73     -0.02   -1.76  CO2	 Pressure  77.6 atm, phi 0.693
-  H2(g)           -10.39    -13.56   -3.17  H2
+  H2(g)           -31.70    -34.88   -3.17  H2
   H2O(g)           -0.90     -0.01    0.89  H2O	 Pressure   0.3 atm, phi 0.456
-  O2(g)           -54.83    -57.90   -3.07  O2
+  O2(g)           -12.19    -15.26   -3.07  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3501,21 +3502,21 @@ H2O(g)            -0.51   3.107e-01  0.407   1.774e-02   2.186e-02   4.119e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.131      Charge balance
-                                       pe  =   1.992      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 389
+                                       pe  =   2.402      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 367
                           Density (g/cm³)  =   1.00049
                                Volume (L)  =   1.04551
-                        Viscosity (mPa s)  =   0.54845
+                        Viscosity (mPa s)  =   0.54846
                         Activity of water  =   0.983
-                 Ionic strength (mol/kgw)  =   7.627e-04
+                 Ionic strength (mol/kgw)  =   7.626e-04
                        Mass of water (kg)  =   9.996e-01
-                 Total alkalinity (eq/kg)  =   1.220e-09
+                 Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.055e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 84.81
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  31
+                               Iterations  =  43
                                   Total H  = 1.109687e+02
                                   Total O  = 5.759384e+01
 
@@ -3524,30 +3525,30 @@ H2O(g)            -0.51   3.107e-01  0.407   1.774e-02   2.186e-02   4.119e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.627e-04   7.393e-04    -3.118    -3.131    -0.014      0.00
-   OH-             8.061e-11   7.801e-11   -10.094   -10.108    -0.014     -3.90
+   H+              7.626e-04   7.391e-04    -3.118    -3.131    -0.014      0.00
+   OH-             8.063e-11   7.803e-11   -10.094   -10.108    -0.014     -3.90
    H2O             5.551e+01   9.827e-01     1.744    -0.008     0.000     18.17
-C(-4)         1.303e-20
-   CH4             1.303e-20   1.303e-20   -19.885   -19.885     0.000     37.38
+C(-4)         6.907e-24
+   CH4             6.907e-24   6.908e-24   -23.161   -23.161     0.000     37.38
 C(4)          1.055e+00
    CO2             9.820e-01   9.821e-01    -0.008    -0.008     0.000     35.57
    (CO2)2          3.620e-02   3.621e-02    -1.441    -1.441     0.000     71.14
-   HCO3-           7.627e-04   7.385e-04    -3.118    -3.132    -0.014     25.76
-   CO3-2           8.312e-11   7.306e-11   -10.080   -10.136    -0.056     -2.31
-H(0)          5.816e-14
-   H2              2.908e-14   2.909e-14   -13.536   -13.536     0.000     28.55
+   HCO3-           7.626e-04   7.384e-04    -3.118    -3.132    -0.014     25.88
+   CO3-2           8.319e-11   7.312e-11   -10.080   -10.136    -0.056     -2.44
+H(0)          8.826e-15
+   H2              4.413e-15   4.414e-15   -14.355   -14.355     0.000     28.55
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.951   -57.951     0.000     31.74
+   O2              0.000e+00   0.000e+00   -56.313   -56.313     0.000     31.74
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  85 atm)
 
-  CH4(g)          -16.87    -19.89   -3.01  CH4
+  CH4(g)          -20.15    -23.16   -3.01  CH4
   CO2(g)            1.75     -0.01   -1.76  CO2	 Pressure  84.5 atm, phi 0.668
-  H2(g)           -10.36    -13.54   -3.18  H2
+  H2(g)           -11.18    -14.36   -3.18  H2
   H2O(g)           -0.90     -0.01    0.89  H2O	 Pressure   0.3 atm, phi 0.407
-  O2(g)           -54.88    -57.95   -3.07  O2
+  O2(g)           -53.24    -56.31   -3.07  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3595,22 +3596,22 @@ H2O(g)            -0.46   3.475e-01  0.365   2.186e-02   2.666e-02   4.799e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.124      Charge balance
-                                       pe  =   2.495      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 395
+                                       pH  =   3.125      Charge balance
+                                       pe  =  12.650      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 372
                           Density (g/cm³)  =   1.00098
                                Volume (L)  =   1.04621
-                        Viscosity (mPa s)  =   0.54857
+                        Viscosity (mPa s)  =   0.54858
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   7.749e-04
+                 Ionic strength (mol/kgw)  =   7.747e-04
                        Mass of water (kg)  =   9.995e-01
-                 Total alkalinity (eq/kg)  =   1.220e-09
+                 Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.085e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 90.49
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  34
+                               Iterations  =  54
                                   Total H  = 1.109591e+02
                                   Total O  = 5.764790e+01
 
@@ -3619,30 +3620,30 @@ H2O(g)            -0.46   3.475e-01  0.365   2.186e-02   2.666e-02   4.799e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.749e-04   7.509e-04    -3.111    -3.124    -0.014      0.00
-   OH-             7.972e-11   7.713e-11   -10.098   -10.113    -0.014     -3.90
+   H+              7.747e-04   7.507e-04    -3.111    -3.125    -0.014      0.00
+   OH-             7.974e-11   7.715e-11   -10.098   -10.113    -0.014     -3.90
    H2O             5.551e+01   9.822e-01     1.744    -0.008     0.000     18.16
-C(-4)         1.431e-24
-   CH4             1.431e-24   1.431e-24   -23.844   -23.844     0.000     37.38
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -105.082  -105.082     0.000     37.38
 C(4)          1.085e+00
    CO2             1.008e+00   1.008e+00     0.003     0.003     0.000     35.56
    (CO2)2          3.812e-02   3.813e-02    -1.419    -1.419     0.000     71.12
-   HCO3-           7.749e-04   7.502e-04    -3.111    -3.125    -0.014     25.77
-   CO3-2           8.369e-11   7.349e-11   -10.077   -10.134    -0.056     -2.26
-H(0)          5.891e-15
-   H2              2.945e-15   2.946e-15   -14.531   -14.531     0.000     28.54
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -55.967   -55.967     0.000     31.72
+   HCO3-           7.747e-04   7.500e-04    -3.111    -3.125    -0.014     25.90
+   CO3-2           8.376e-11   7.356e-11   -10.077   -10.133    -0.056     -2.39
+H(0)          2.889e-35
+   H2              1.445e-35   1.445e-35   -34.840   -34.840     0.000     28.54
+O(0)          8.968e-16
+   O2              4.484e-16   4.485e-16   -15.348   -15.348     0.000     31.72
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  90 atm)
 
-  CH4(g)          -20.83    -23.84   -3.01  CH4
+  CH4(g)         -102.07   -105.08   -3.01  CH4
   CO2(g)            1.77      0.00   -1.76  CO2	 Pressure  90.1 atm, phi 0.648
-  H2(g)           -11.35    -14.53   -3.18  H2
+  H2(g)           -31.66    -34.84   -3.18  H2
   H2O(g)           -0.90     -0.01    0.89  H2O	 Pressure   0.3 atm, phi 0.365
-  O2(g)           -52.89    -55.97   -3.08  O2
+  O2(g)           -12.27    -15.35   -3.08  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3690,22 +3691,22 @@ H2O(g)            -0.41   3.869e-01  0.329   2.666e-02   3.217e-02   5.510e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.119      Charge balance
-                                       pe  =  12.633      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 399
+                                       pH  =   3.120      Charge balance
+                                       pe  =  12.901      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 376
                           Density (g/cm³)  =   1.00135
                                Volume (L)  =   1.04665
-                        Viscosity (mPa s)  =   0.54867
+                        Viscosity (mPa s)  =   0.54868
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   7.840e-04
+                 Ionic strength (mol/kgw)  =   7.838e-04
                        Mass of water (kg)  =   9.994e-01
-                 Total alkalinity (eq/kg)  =   1.220e-09
+                 Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.106e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 95.32
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  45
+                               Iterations  =  34
                                   Total H  = 1.109481e+02
                                   Total O  = 5.768491e+01
 
@@ -3714,30 +3715,30 @@ H2O(g)            -0.41   3.869e-01  0.329   2.666e-02   3.217e-02   5.510e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.840e-04   7.596e-04    -3.106    -3.119    -0.014      0.00
-   OH-             7.912e-11   7.653e-11   -10.102   -10.116    -0.014     -3.91
+   H+              7.838e-04   7.594e-04    -3.106    -3.120    -0.014      0.00
+   OH-             7.914e-11   7.655e-11   -10.102   -10.116    -0.014     -3.91
    H2O             5.551e+01   9.819e-01     1.744    -0.008     0.000     18.16
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -104.901  -104.901     0.000     37.39
+   CH4             0.000e+00   0.000e+00  -107.050  -107.050     0.000     37.39
 C(4)          1.106e+00
    CO2             1.026e+00   1.026e+00     0.011     0.011     0.000     35.56
    (CO2)2          3.954e-02   3.955e-02    -1.403    -1.403     0.000     71.11
-   HCO3-           7.840e-04   7.588e-04    -3.106    -3.120    -0.014     25.77
-   CO3-2           8.416e-11   7.386e-11   -10.075   -10.132    -0.057     -2.21
-H(0)          3.180e-35
-   H2              1.590e-35   1.590e-35   -34.799   -34.799     0.000     28.54
-O(0)          7.327e-16
-   O2              3.664e-16   3.664e-16   -15.436   -15.436     0.000     31.71
+   HCO3-           7.838e-04   7.586e-04    -3.106    -3.120    -0.014     25.92
+   CO3-2           8.424e-11   7.393e-11   -10.074   -10.131    -0.057     -2.34
+H(0)          9.229e-36
+   H2              4.615e-36   4.615e-36   -35.336   -35.336     0.000     28.54
+O(0)          8.699e-15
+   O2              4.350e-15   4.351e-15   -14.362   -14.361     0.000     31.71
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K,  95 atm)
 
-  CH4(g)         -101.88   -104.90   -3.02  CH4
+  CH4(g)         -104.03   -107.05   -3.02  CH4
   CO2(g)            1.78      0.01   -1.77  CO2	 Pressure  94.9 atm, phi 0.630
-  H2(g)           -31.62    -34.80   -3.18  H2
+  H2(g)           -32.16    -35.34   -3.18  H2
   H2O(g)           -0.90     -0.01    0.89  H2O	 Pressure   0.4 atm, phi 0.329
-  O2(g)           -12.36    -15.44   -3.08  O2
+  O2(g)           -11.28    -14.36   -3.08  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3785,22 +3786,22 @@ H2O(g)            -0.37   4.298e-01  0.297   3.217e-02   3.841e-02   6.243e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.115      Charge balance
-                                       pe  =  12.589      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 403
+                                       pH  =   3.116      Charge balance
+                                       pe  =  12.991      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 379
                           Density (g/cm³)  =   1.00168
                                Volume (L)  =   1.04693
                         Viscosity (mPa s)  =   0.54877
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   7.913e-04
+                 Ionic strength (mol/kgw)  =   7.911e-04
                        Mass of water (kg)  =   9.993e-01
-                 Total alkalinity (eq/kg)  =   1.220e-09
+                 Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.123e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 99.75
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  38
+                               Iterations  =  34
                                   Total H  = 1.109356e+02
                                   Total O  = 5.771184e+01
 
@@ -3809,30 +3810,30 @@ H2O(g)            -0.37   4.298e-01  0.297   3.217e-02   3.841e-02   6.243e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.913e-04   7.666e-04    -3.102    -3.115    -0.014      0.00
-   OH-             7.867e-11   7.609e-11   -10.104   -10.119    -0.014     -3.91
+   H+              7.911e-04   7.664e-04    -3.102    -3.116    -0.014      0.00
+   OH-             7.869e-11   7.611e-11   -10.104   -10.119    -0.014     -3.91
    H2O             5.551e+01   9.816e-01     1.744    -0.008     0.000     18.16
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -104.514  -104.514     0.000     37.39
+   CH4             0.000e+00   0.000e+00  -107.730  -107.730     0.000     37.39
 C(4)          1.123e+00
    CO2             1.041e+00   1.041e+00     0.017     0.017     0.000     35.55
    (CO2)2          4.066e-02   4.067e-02    -1.391    -1.391     0.000     71.10
-   HCO3-           7.913e-04   7.658e-04    -3.102    -3.116    -0.014     25.78
-   CO3-2           8.459e-11   7.419e-11   -10.073   -10.130    -0.057     -2.16
-H(0)          3.946e-35
-   H2              1.973e-35   1.973e-35   -34.705   -34.705     0.000     28.54
-O(0)          4.714e-16
-   O2              2.357e-16   2.358e-16   -15.628   -15.628     0.000     31.70
+   HCO3-           7.911e-04   7.656e-04    -3.102    -3.116    -0.014     25.94
+   CO3-2           8.468e-11   7.427e-11   -10.072   -10.129    -0.057     -2.30
+H(0)          6.199e-36
+   H2              3.100e-36   3.100e-36   -35.509   -35.509     0.000     28.54
+O(0)          1.910e-14
+   O2              9.552e-15   9.553e-15   -14.020   -14.020     0.000     31.70
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 100 atm)
 
-  CH4(g)         -101.49   -104.51   -3.02  CH4
+  CH4(g)         -104.71   -107.73   -3.02  CH4
   CO2(g)            1.79      0.02   -1.77  CO2	 Pressure  99.3 atm, phi 0.615
-  H2(g)           -31.52    -34.70   -3.18  H2
+  H2(g)           -32.33    -35.51   -3.18  H2
   H2O(g)           -0.89     -0.01    0.89  H2O	 Pressure   0.4 atm, phi 0.297
-  O2(g)           -12.55    -15.63   -3.08  O2
+  O2(g)           -10.94    -14.02   -3.08  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3881,13 +3882,13 @@ H2O(g)            -0.32   4.775e-01  0.268   3.841e-02   4.540e-02   6.987e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.112      Charge balance
-                                       pe  =   2.168      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 406
+                                       pe  =  12.971      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 382
                           Density (g/cm³)  =   1.00199
                                Volume (L)  =   1.04712
-                        Viscosity (mPa s)  =   0.54886
+                        Viscosity (mPa s)  =   0.54887
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   7.979e-04
+                 Ionic strength (mol/kgw)  =   7.977e-04
                        Mass of water (kg)  =   9.992e-01
                  Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.137e+00
@@ -3895,7 +3896,7 @@ H2O(g)            -0.32   4.775e-01  0.268   3.841e-02   4.540e-02   6.987e-03
                            Pressure (atm)  = 104.21
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  42
+                               Iterations  =  34
                                   Total H  = 1.109216e+02
                                   Total O  = 5.773357e+01
 
@@ -3904,30 +3905,30 @@ H2O(g)            -0.32   4.775e-01  0.268   3.841e-02   4.540e-02   6.987e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.979e-04   7.729e-04    -3.098    -3.112    -0.014      0.00
-   OH-             7.831e-11   7.573e-11   -10.106   -10.121    -0.015     -3.92
+   H+              7.977e-04   7.726e-04    -3.098    -3.112    -0.014      0.00
+   OH-             7.834e-11   7.576e-11   -10.106   -10.121    -0.015     -3.92
    H2O             5.551e+01   9.814e-01     1.744    -0.008     0.000     18.15
-C(-4)         7.726e-22
-   CH4             7.726e-22   7.728e-22   -21.112   -21.112     0.000     37.39
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.544  -107.544     0.000     37.39
 C(4)          1.137e+00
    CO2             1.053e+00   1.053e+00     0.023     0.023     0.000     35.55
    (CO2)2          4.165e-02   4.166e-02    -1.380    -1.380     0.000     71.09
-   HCO3-           7.979e-04   7.721e-04    -3.098    -3.112    -0.014     25.79
-   CO3-2           8.501e-11   7.453e-11   -10.071   -10.128    -0.057     -2.12
-H(0)          2.780e-14
-   H2              1.390e-14   1.390e-14   -13.857   -13.857     0.000     28.54
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.327   -57.327     0.000     31.69
+   HCO3-           7.977e-04   7.718e-04    -3.098    -3.112    -0.014     25.96
+   CO3-2           8.511e-11   7.462e-11   -10.070   -10.127    -0.057     -2.26
+H(0)          6.854e-36
+   H2              3.427e-36   3.428e-36   -35.465   -35.465     0.000     28.54
+O(0)          1.548e-14
+   O2              7.742e-15   7.744e-15   -14.111   -14.111     0.000     31.69
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 104 atm)
 
-  CH4(g)          -18.09    -21.11   -3.02  CH4
+  CH4(g)         -104.52   -107.54   -3.02  CH4
   CO2(g)            1.79      0.02   -1.77  CO2	 Pressure 103.7 atm, phi 0.599
-  H2(g)           -10.67    -13.86   -3.18  H2
+  H2(g)           -32.28    -35.47   -3.18  H2
   H2O(g)           -0.89     -0.01    0.89  H2O	 Pressure   0.5 atm, phi 0.268
-  O2(g)           -54.24    -57.33   -3.08  O2
+  O2(g)           -11.03    -14.11   -3.08  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -3975,14 +3976,14 @@ H2O(g)            -0.27   5.320e-01  0.241   4.540e-02   5.313e-02   7.732e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.108      Charge balance
-                                       pe  =   2.138      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 409
+                                       pH  =   3.109      Charge balance
+                                       pe  =  12.832      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 385
                           Density (g/cm³)  =   1.00231
                                Volume (L)  =   1.04725
                         Viscosity (mPa s)  =   0.54897
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   8.045e-04
+                 Ionic strength (mol/kgw)  =   8.043e-04
                        Mass of water (kg)  =   9.990e-01
                  Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.151e+00
@@ -3990,7 +3991,7 @@ H2O(g)            -0.27   5.320e-01  0.241   4.540e-02   5.313e-02   7.732e-03
                            Pressure (atm)  = 109.16
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  33
+                               Iterations  =  37
                                   Total H  = 1.109062e+02
                                   Total O  = 5.775348e+01
 
@@ -3999,30 +4000,30 @@ H2O(g)            -0.27   5.320e-01  0.241   4.540e-02   5.313e-02   7.732e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.045e-04   7.792e-04    -3.094    -3.108    -0.014      0.00
-   OH-             7.799e-11   7.541e-11   -10.108   -10.123    -0.015     -3.92
+   H+              8.043e-04   7.789e-04    -3.095    -3.109    -0.014      0.00
+   OH-             7.802e-11   7.544e-11   -10.108   -10.122    -0.015     -3.92
    H2O             5.551e+01   9.811e-01     1.744    -0.008     0.000     18.15
-C(-4)         1.432e-21
-   CH4             1.432e-21   1.433e-21   -20.844   -20.844     0.000     37.39
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -106.401  -106.401     0.000     37.39
 C(4)          1.151e+00
    CO2             1.065e+00   1.065e+00     0.027     0.028     0.000     35.54
    (CO2)2          4.261e-02   4.262e-02    -1.371    -1.370     0.000     71.08
-   HCO3-           8.045e-04   7.784e-04    -3.094    -3.109    -0.014     25.80
-   CO3-2           8.549e-11   7.491e-11   -10.068   -10.125    -0.057     -2.07
-H(0)          3.223e-14
-   H2              1.611e-14   1.612e-14   -13.793   -13.793     0.000     28.54
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.460   -57.460     0.000     31.68
+   HCO3-           8.043e-04   7.781e-04    -3.095    -3.109    -0.014     25.97
+   CO3-2           8.560e-11   7.500e-11   -10.068   -10.125    -0.057     -2.22
+H(0)          1.315e-35
+   H2              6.574e-36   6.575e-36   -35.182   -35.182     0.000     28.54
+O(0)          4.165e-15
+   O2              2.083e-15   2.083e-15   -14.681   -14.681     0.000     31.68
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 109 atm)
 
-  CH4(g)          -17.82    -20.84   -3.03  CH4
+  CH4(g)         -103.38   -106.40   -3.03  CH4
   CO2(g)            1.80      0.03   -1.77  CO2	 Pressure 108.6 atm, phi 0.583
-  H2(g)           -10.61    -13.79   -3.19  H2
+  H2(g)           -32.00    -35.18   -3.19  H2
   H2O(g)           -0.89     -0.01    0.88  H2O	 Pressure   0.5 atm, phi 0.241
-  O2(g)           -54.37    -57.46   -3.09  O2
+  O2(g)           -11.60    -14.68   -3.09  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4070,22 +4071,22 @@ H2O(g)            -0.22   5.960e-01  0.216   5.313e-02   6.160e-02   8.464e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.104      Charge balance
-                                       pe  =   2.119      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 413
+                                       pH  =   3.105      Charge balance
+                                       pe  =  12.852      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 388
                           Density (g/cm³)  =   1.00268
                                Volume (L)  =   1.04734
-                        Viscosity (mPa s)  =   0.54909
+                        Viscosity (mPa s)  =   0.54910
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   8.118e-04
+                 Ionic strength (mol/kgw)  =   8.115e-04
                        Mass of water (kg)  =   9.989e-01
-                 Total alkalinity (eq/kg)  =   1.221e-09
+                 Total alkalinity (eq/kg)  =   1.222e-09
                        Total CO2 (mol/kg)  =   1.166e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 115.10
                   Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  30
+                               Iterations  =  29
                                   Total H  = 1.108892e+02
                                   Total O  = 5.777398e+01
 
@@ -4094,30 +4095,30 @@ H2O(g)            -0.22   5.960e-01  0.216   5.313e-02   6.160e-02   8.464e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.118e-04   7.861e-04    -3.091    -3.104    -0.014      0.00
-   OH-             7.768e-11   7.510e-11   -10.110   -10.124    -0.015     -3.93
+   H+              8.115e-04   7.858e-04    -3.091    -3.105    -0.014      0.00
+   OH-             7.771e-11   7.513e-11   -10.110   -10.124    -0.015     -3.93
    H2O             5.551e+01   9.809e-01     1.744    -0.008     0.000     18.14
-C(-4)         2.169e-21
-   CH4             2.169e-21   2.169e-21   -20.664   -20.664     0.000     37.40
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -106.526  -106.526     0.000     37.40
 C(4)          1.166e+00
    CO2             1.078e+00   1.078e+00     0.033     0.033     0.000     35.54
    (CO2)2          4.362e-02   4.363e-02    -1.360    -1.360     0.000     71.07
-   HCO3-           8.118e-04   7.853e-04    -3.091    -3.105    -0.014     25.81
-   CO3-2           8.605e-11   7.536e-11   -10.065   -10.123    -0.058     -2.01
-H(0)          3.549e-14
-   H2              1.774e-14   1.775e-14   -13.751   -13.751     0.000     28.53
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.549   -57.549     0.000     31.67
+   HCO3-           8.115e-04   7.850e-04    -3.091    -3.105    -0.014     25.99
+   CO3-2           8.617e-11   7.547e-11   -10.065   -10.122    -0.058     -2.16
+H(0)          1.215e-35
+   H2              6.074e-36   6.075e-36   -35.217   -35.216     0.000     28.53
+O(0)          4.819e-15
+   O2              2.410e-15   2.410e-15   -14.618   -14.618     0.000     31.67
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 115 atm)
 
-  CH4(g)          -17.63    -20.66   -3.03  CH4
+  CH4(g)         -103.50   -106.53   -3.03  CH4
   CO2(g)            1.81      0.03   -1.78  CO2	 Pressure 114.5 atm, phi 0.564
-  H2(g)           -10.56    -13.75   -3.19  H2
+  H2(g)           -32.03    -35.22   -3.19  H2
   H2O(g)           -0.89     -0.01    0.88  H2O	 Pressure   0.6 atm, phi 0.216
-  O2(g)           -54.46    -57.55   -3.09  O2
+  O2(g)           -11.53    -14.62   -3.09  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4166,19 +4167,19 @@ H2O(g)            -0.17   6.730e-01  0.192   6.160e-02   7.077e-02   9.169e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.100      Charge balance
-                                       pe  =   2.015      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 417
+                                       pe  =  12.941      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 391
                           Density (g/cm³)  =   1.00313
                                Volume (L)  =   1.04741
-                        Viscosity (mPa s)  =   0.54925
+                        Viscosity (mPa s)  =   0.54926
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   8.202e-04
+                 Ionic strength (mol/kgw)  =   8.198e-04
                        Mass of water (kg)  =   9.987e-01
                  Total alkalinity (eq/kg)  =   1.221e-09
                        Total CO2 (mol/kg)  =   1.182e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 122.58
-                  Electrical balance (eq)  =  -1.219e-09
+                  Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  25
                                   Total H  = 1.108709e+02
@@ -4189,30 +4190,30 @@ H2O(g)            -0.17   6.730e-01  0.192   6.160e-02   7.077e-02   9.169e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.202e-04   7.942e-04    -3.086    -3.100    -0.014      0.00
-   OH-             7.736e-11   7.479e-11   -10.111   -10.126    -0.015     -3.93
+   H+              8.198e-04   7.938e-04    -3.086    -3.100    -0.014      0.00
+   OH-             7.740e-11   7.482e-11   -10.111   -10.126    -0.015     -3.93
    H2O             5.551e+01   9.806e-01     1.744    -0.008     0.000     18.14
-C(-4)         1.613e-20
-   CH4             1.613e-20   1.613e-20   -19.792   -19.792     0.000     37.40
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.201  -107.201     0.000     37.40
 C(4)          1.182e+00
    CO2             1.092e+00   1.092e+00     0.038     0.038     0.000     35.53
    (CO2)2          4.476e-02   4.477e-02    -1.349    -1.349     0.000     71.05
-   HCO3-           8.202e-04   7.933e-04    -3.086    -3.101    -0.014     25.82
-   CO3-2           8.675e-11   7.593e-11   -10.062   -10.120    -0.058     -1.94
-H(0)          5.809e-14
-   H2              2.905e-14   2.905e-14   -13.537   -13.537     0.000     28.53
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.984   -57.984     0.000     31.65
+   HCO3-           8.198e-04   7.930e-04    -3.086    -3.101    -0.014     26.02
+   CO3-2           8.689e-11   7.606e-11   -10.061   -10.119    -0.058     -2.10
+H(0)          8.166e-36
+   H2              4.083e-36   4.084e-36   -35.389   -35.389     0.000     28.53
+O(0)          1.051e-14
+   O2              5.253e-15   5.254e-15   -14.280   -14.280     0.000     31.65
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 123 atm)
 
-  CH4(g)          -16.76    -19.79   -3.03  CH4
+  CH4(g)         -104.17   -107.20   -3.03  CH4
   CO2(g)            1.82      0.04   -1.78  CO2	 Pressure 121.9 atm, phi 0.542
-  H2(g)           -10.34    -13.54   -3.19  H2
+  H2(g)           -32.20    -35.39   -3.19  H2
   H2O(g)           -0.89     -0.01    0.88  H2O	 Pressure   0.7 atm, phi 0.192
-  O2(g)           -54.89    -57.98   -3.09  O2
+  O2(g)           -11.19    -14.28   -3.09  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4261,19 +4262,19 @@ H2O(g)            -0.12   7.673e-01  0.170   7.077e-02   8.060e-02   9.828e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.095      Charge balance
-                                       pe  =   1.945      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 422
+                                       pe  =  13.004      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 396
                           Density (g/cm³)  =   1.00368
                                Volume (L)  =   1.04745
                         Viscosity (mPa s)  =   0.54946
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   8.302e-04
+                 Ionic strength (mol/kgw)  =   8.298e-04
                        Mass of water (kg)  =   9.985e-01
-                 Total alkalinity (eq/kg)  =   1.221e-09
+                 Total alkalinity (eq/kg)  =   1.222e-09
                        Total CO2 (mol/kg)  =   1.201e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 132.16
-                  Electrical balance (eq)  =  -1.219e-09
+                  Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  22
                                   Total H  = 1.108512e+02
@@ -4284,30 +4285,30 @@ H2O(g)            -0.12   7.673e-01  0.170   7.077e-02   8.060e-02   9.828e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.302e-04   8.037e-04    -3.081    -3.095    -0.014      0.00
-   OH-             7.705e-11   7.447e-11   -10.113   -10.128    -0.015     -3.94
+   H+              8.298e-04   8.033e-04    -3.081    -3.095    -0.014      0.00
+   OH-             7.709e-11   7.451e-11   -10.113   -10.128    -0.015     -3.94
    H2O             5.551e+01   9.804e-01     1.744    -0.009     0.000     18.13
-C(-4)         6.483e-20
-   CH4             6.483e-20   6.484e-20   -19.188   -19.188     0.000     37.41
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.663  -107.662     0.000     37.41
 C(4)          1.201e+00
    CO2             1.108e+00   1.108e+00     0.044     0.044     0.000     35.52
    (CO2)2          4.606e-02   4.607e-02    -1.337    -1.337     0.000     71.03
-   HCO3-           8.302e-04   8.029e-04    -3.081    -3.095    -0.015     25.84
-   CO3-2           8.766e-11   7.667e-11   -10.057   -10.115    -0.058     -1.85
-H(0)          8.139e-14
-   H2              4.070e-14   4.070e-14   -13.390   -13.390     0.000     28.53
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -58.285   -58.285     0.000     31.63
+   HCO3-           8.298e-04   8.024e-04    -3.081    -3.096    -0.015     26.06
+   CO3-2           8.782e-11   7.681e-11   -10.056   -10.115    -0.058     -2.01
+H(0)          6.194e-36
+   H2              3.097e-36   3.098e-36   -35.509   -35.509     0.000     28.53
+O(0)          1.790e-14
+   O2              8.951e-15   8.953e-15   -14.048   -14.048     0.000     31.63
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 132 atm)
 
-  CH4(g)          -16.15    -19.19   -3.04  CH4
+  CH4(g)         -104.62   -107.66   -3.04  CH4
   CO2(g)            1.83      0.04   -1.79  CO2	 Pressure 131.4 atm, phi 0.516
-  H2(g)           -10.19    -13.39   -3.20  H2
+  H2(g)           -32.31    -35.51   -3.20  H2
   H2O(g)           -0.89     -0.01    0.88  H2O	 Pressure   0.8 atm, phi 0.170
-  O2(g)           -55.19    -58.29   -3.10  O2
+  O2(g)           -10.95    -14.05   -3.10  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4356,19 +4357,19 @@ H2O(g)            -0.05   8.845e-01  0.148   8.060e-02   9.102e-02   1.042e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.089      Charge balance
-                                       pe  =   1.987      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 428
+                                       pe  =  13.053      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 401
                           Density (g/cm³)  =   1.00438
-                               Volume (L)  =   1.04744
+                               Volume (L)  =   1.04745
                         Viscosity (mPa s)  =   0.54972
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   8.423e-04
+                 Ionic strength (mol/kgw)  =   8.417e-04
                        Mass of water (kg)  =   9.983e-01
-                 Total alkalinity (eq/kg)  =   1.221e-09
+                 Total alkalinity (eq/kg)  =   1.222e-09
                        Total CO2 (mol/kg)  =   1.221e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 144.52
-                  Electrical balance (eq)  =  -1.219e-09
+                  Electrical balance (eq)  =  -1.220e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  44
                                   Total H  = 1.108304e+02
@@ -4379,30 +4380,30 @@ H2O(g)            -0.05   8.845e-01  0.148   8.060e-02   9.102e-02   1.042e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.423e-04   8.152e-04    -3.075    -3.089    -0.014      0.00
-   OH-             7.674e-11   7.415e-11   -10.115   -10.130    -0.015     -3.96
+   H+              8.417e-04   8.147e-04    -3.075    -3.089    -0.014      0.00
+   OH-             7.679e-11   7.420e-11   -10.115   -10.130    -0.015     -3.96
    H2O             5.551e+01   9.800e-01     1.744    -0.009     0.000     18.12
-C(-4)         3.329e-20
-   CH4             3.329e-20   3.330e-20   -19.478   -19.478     0.000     37.41
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -108.005  -108.005     0.000     37.41
 C(4)          1.221e+00
    CO2             1.125e+00   1.126e+00     0.051     0.051     0.000     35.50
    (CO2)2          4.756e-02   4.757e-02    -1.323    -1.323     0.000     71.01
-   HCO3-           8.423e-04   8.144e-04    -3.075    -3.089    -0.015     25.86
-   CO3-2           8.882e-11   7.762e-11   -10.051   -10.110    -0.059     -1.73
-H(0)          6.801e-14
-   H2              3.401e-14   3.401e-14   -13.468   -13.468     0.000     28.52
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -58.140   -58.140     0.000     31.61
+   HCO3-           8.417e-04   8.138e-04    -3.075    -3.089    -0.015     26.10
+   CO3-2           8.902e-11   7.780e-11   -10.051   -10.109    -0.059     -1.91
+H(0)          5.019e-36
+   H2              2.510e-36   2.510e-36   -35.600   -35.600     0.000     28.52
+O(0)          2.659e-14
+   O2              1.330e-14   1.330e-14   -13.876   -13.876     0.000     31.61
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 145 atm)
 
-  CH4(g)          -16.43    -19.48   -3.05  CH4
+  CH4(g)         -104.96   -108.01   -3.05  CH4
   CO2(g)            1.85      0.05   -1.79  CO2	 Pressure 143.6 atm, phi 0.488
-  H2(g)           -10.26    -13.47   -3.20  H2
+  H2(g)           -32.40    -35.60   -3.20  H2
   H2O(g)           -0.88     -0.01    0.87  H2O	 Pressure   0.9 atm, phi 0.148
-  O2(g)           -55.04    -58.14   -3.10  O2
+  O2(g)           -10.77    -13.88   -3.10  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4450,22 +4451,22 @@ H2O(g)             0.01   1.031e+00  0.129   9.102e-02   1.020e-01   1.094e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.081      Charge balance
-                                       pe  =   1.979      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 435
+                                       pH  =   3.082      Charge balance
+                                       pe  =  12.930      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 408
                           Density (g/cm³)  =   1.00524
                                Volume (L)  =   1.04738
                         Viscosity (mPa s)  =   0.55006
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   8.568e-04
+                 Ionic strength (mol/kgw)  =   8.561e-04
                        Mass of water (kg)  =   9.981e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.245e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 160.38
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  42
+                               Iterations  =  43
                                   Total H  = 1.108085e+02
                                   Total O  = 5.789024e+01
 
@@ -4474,30 +4475,30 @@ H2O(g)             0.01   1.031e+00  0.129   9.102e-02   1.020e-01   1.094e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.568e-04   8.291e-04    -3.067    -3.081    -0.014      0.00
-   OH-             7.645e-11   7.385e-11   -10.117   -10.132    -0.015     -3.97
+   H+              8.561e-04   8.285e-04    -3.067    -3.082    -0.014      0.00
+   OH-             7.651e-11   7.391e-11   -10.116   -10.131    -0.015     -3.97
    H2O             5.551e+01   9.797e-01     1.744    -0.009     0.000     18.11
-C(-4)         4.372e-20
-   CH4             4.372e-20   4.373e-20   -19.359   -19.359     0.000     37.42
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -106.970  -106.970     0.000     37.42
 C(4)          1.245e+00
    CO2             1.146e+00   1.146e+00     0.059     0.059     0.000     35.49
    (CO2)2          4.929e-02   4.930e-02    -1.307    -1.307     0.000     70.97
-   HCO3-           8.568e-04   8.282e-04    -3.067    -3.082    -0.015     25.88
-   CO3-2           9.032e-11   7.885e-11   -10.044   -10.103    -0.059     -1.58
-H(0)          7.165e-14
-   H2              3.582e-14   3.583e-14   -13.446   -13.446     0.000     28.51
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -58.199   -58.199     0.000     31.58
+   HCO3-           8.561e-04   8.276e-04    -3.067    -3.082    -0.015     26.16
+   CO3-2           9.056e-11   7.907e-11   -10.043   -10.102    -0.059     -1.77
+H(0)          8.964e-36
+   H2              4.482e-36   4.483e-36   -35.349   -35.348     0.000     28.51
+O(0)          8.076e-15
+   O2              4.038e-15   4.039e-15   -14.394   -14.394     0.000     31.58
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 160 atm)
 
-  CH4(g)          -16.30    -19.36   -3.06  CH4
+  CH4(g)         -103.91   -106.97   -3.06  CH4
   CO2(g)            1.86      0.06   -1.80  CO2	 Pressure 159.3 atm, phi 0.457
-  H2(g)           -10.23    -13.45   -3.21  H2
+  H2(g)           -32.14    -35.35   -3.21  H2
   H2O(g)           -0.88     -0.01    0.87  H2O	 Pressure   1.0 atm, phi 0.129
-  O2(g)           -55.09    -58.20   -3.11  O2
+  O2(g)           -11.28    -14.39   -3.11  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4546,21 +4547,21 @@ H2O(g)             0.08   1.215e+00  0.111   1.020e-01   1.133e-01   1.134e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.073      Charge balance
-                                       pe  =   1.992      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 444
+                                       pe  =  12.959      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 416
                           Density (g/cm³)  =   1.00631
                                Volume (L)  =   1.04724
-                        Viscosity (mPa s)  =   0.55050
+                        Viscosity (mPa s)  =   0.55049
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   8.744e-04
+                 Ionic strength (mol/kgw)  =   8.735e-04
                        Mass of water (kg)  =   9.979e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.272e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 180.60
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  55
+                               Iterations  =  56
                                   Total H  = 1.107858e+02
                                   Total O  = 5.793238e+01
 
@@ -4569,30 +4570,30 @@ H2O(g)             0.08   1.215e+00  0.111   1.020e-01   1.133e-01   1.134e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.744e-04   8.460e-04    -3.058    -3.073    -0.014      0.00
-   OH-             7.619e-11   7.358e-11   -10.118   -10.133    -0.015     -3.99
+   H+              8.735e-04   8.451e-04    -3.059    -3.073    -0.014      0.00
+   OH-             7.627e-11   7.366e-11   -10.118   -10.133    -0.015     -3.99
    H2O             5.551e+01   9.792e-01     1.744    -0.009     0.000     18.09
-C(-4)         4.061e-20
-   CH4             4.061e-20   4.062e-20   -19.391   -19.391     0.000     37.43
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.134  -107.134     0.000     37.43
 C(4)          1.272e+00
    CO2             1.169e+00   1.169e+00     0.068     0.068     0.000     35.47
    (CO2)2          5.130e-02   5.131e-02    -1.290    -1.290     0.000     70.93
-   HCO3-           8.744e-04   8.450e-04    -3.058    -3.073    -0.015     25.92
-   CO3-2           9.224e-11   8.043e-11   -10.035   -10.095    -0.059     -1.39
-H(0)          6.898e-14
-   H2              3.449e-14   3.449e-14   -13.462   -13.462     0.000     28.51
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -58.184   -58.184     0.000     31.53
+   HCO3-           8.735e-04   8.441e-04    -3.059    -3.074    -0.015     26.23
+   CO3-2           9.255e-11   8.072e-11   -10.034   -10.093    -0.059     -1.59
+H(0)          7.998e-36
+   H2              3.999e-36   4.000e-36   -35.398   -35.398     0.000     28.51
+O(0)          9.740e-15
+   O2              4.870e-15   4.871e-15   -14.312   -14.312     0.000     31.53
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 181 atm)
 
-  CH4(g)          -16.32    -19.39   -3.07  CH4
+  CH4(g)         -104.06   -107.13   -3.07  CH4
   CO2(g)            1.88      0.07   -1.82  CO2	 Pressure 179.4 atm, phi 0.426
-  H2(g)           -10.24    -13.46   -3.22  H2
+  H2(g)           -32.18    -35.40   -3.22  H2
   H2O(g)           -0.87     -0.01    0.86  H2O	 Pressure   1.2 atm, phi 0.111
-  O2(g)           -55.06    -58.18   -3.12  O2
+  O2(g)           -11.19    -14.31   -3.12  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4640,54 +4641,54 @@ H2O(g)             0.16   1.445e+00  0.095   1.133e-01   1.249e-01   1.161e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.062      Charge balance
-                                       pe  =   2.109      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 454
+                                       pH  =   3.063      Charge balance
+                                       pe  =  13.006      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 425
                           Density (g/cm³)  =   1.00763
                                Volume (L)  =   1.04697
-                        Viscosity (mPa s)  =   0.55105
+                        Viscosity (mPa s)  =   0.55104
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   8.957e-04
+                 Ionic strength (mol/kgw)  =   8.944e-04
                        Mass of water (kg)  =   9.977e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.303e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 206.19
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  65
                                   Total H  = 1.107626e+02
-                                  Total O  = 5.798100e+01
+                                  Total O  = 5.798099e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.957e-04   8.662e-04    -3.048    -3.062    -0.015      0.00
-   OH-             7.600e-11   7.337e-11   -10.119   -10.134    -0.015     -4.02
+   H+              8.944e-04   8.650e-04    -3.048    -3.063    -0.015      0.00
+   OH-             7.611e-11   7.347e-11   -10.119   -10.134    -0.015     -4.02
    H2O             5.551e+01   9.787e-01     1.744    -0.009     0.000     18.07
-C(-4)         5.623e-21
-   CH4             5.623e-21   5.624e-21   -20.250   -20.250     0.000     37.44
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.434  -107.434     0.000     37.44
 C(4)          1.303e+00
    CO2             1.195e+00   1.195e+00     0.077     0.077     0.000     35.44
    (CO2)2          5.359e-02   5.360e-02    -1.271    -1.271     0.000     70.88
-   HCO3-           8.957e-04   8.653e-04    -3.048    -3.063    -0.015     25.96
-   CO3-2           9.469e-11   8.246e-11   -10.024   -10.084    -0.060     -1.15
-H(0)          4.108e-14
-   H2              2.054e-14   2.054e-14   -13.687   -13.687     0.000     28.49
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.756   -57.756     0.000     31.48
+   HCO3-           8.944e-04   8.641e-04    -3.048    -3.063    -0.015     26.32
+   CO3-2           9.511e-11   8.283e-11   -10.022   -10.082    -0.060     -1.38
+H(0)          6.572e-36
+   H2              3.286e-36   3.287e-36   -35.483   -35.483     0.000     28.49
+O(0)          1.370e-14
+   O2              6.852e-15   6.853e-15   -14.164   -14.164     0.000     31.48
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 206 atm)
 
-  CH4(g)          -17.16    -20.25   -3.09  CH4
+  CH4(g)         -104.35   -107.43   -3.09  CH4
   CO2(g)            1.91      0.08   -1.83  CO2	 Pressure 204.7 atm, phi 0.394
-  H2(g)           -10.46    -13.69   -3.23  H2
+  H2(g)           -32.25    -35.48   -3.23  H2
   H2O(g)           -0.86     -0.01    0.86  H2O	 Pressure   1.4 atm, phi 0.095
-  O2(g)           -54.62    -57.76   -3.14  O2
+  O2(g)           -11.03    -14.16   -3.14  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4735,22 +4736,22 @@ H2O(g)             0.24   1.731e+00  0.081   1.249e-01   1.366e-01   1.171e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.050      Charge balance
-                                       pe  =   2.269      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 466
+                                       pH  =   3.051      Charge balance
+                                       pe  =  13.077      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 437
                           Density (g/cm³)  =   1.00924
                                Volume (L)  =   1.04656
-                        Viscosity (mPa s)  =   0.55176
+                        Viscosity (mPa s)  =   0.55174
                         Activity of water  =   0.978
-                 Ionic strength (mol/kgw)  =   9.213e-04
+                 Ionic strength (mol/kgw)  =   9.196e-04
                        Mass of water (kg)  =   9.975e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.337e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 238.31
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  74
+                               Iterations  =  75
                                   Total H  = 1.107392e+02
                                   Total O  = 5.803656e+01
 
@@ -4759,30 +4760,30 @@ H2O(g)             0.24   1.731e+00  0.081   1.249e-01   1.366e-01   1.171e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.213e-04   8.907e-04    -3.036    -3.050    -0.015      0.00
-   OH-             7.591e-11   7.326e-11   -10.120   -10.135    -0.015     -4.04
+   H+              9.196e-04   8.890e-04    -3.036    -3.051    -0.015      0.00
+   OH-             7.605e-11   7.339e-11   -10.119   -10.134    -0.015     -4.04
    H2O             5.551e+01   9.782e-01     1.744    -0.010     0.000     18.05
-C(-4)         3.585e-22
-   CH4             3.585e-22   3.586e-22   -21.445   -21.445     0.000     37.46
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.915  -107.915     0.000     37.46
 C(4)          1.337e+00
    CO2             1.223e+00   1.224e+00     0.088     0.088     0.000     35.41
    (CO2)2          5.620e-02   5.621e-02    -1.250    -1.250     0.000     70.81
-   HCO3-           9.213e-04   8.897e-04    -3.036    -3.051    -0.015     26.01
-   CO3-2           9.780e-11   8.502e-11   -10.010   -10.070    -0.061     -0.86
-H(0)          2.005e-14
-   H2              1.003e-14   1.003e-14   -13.999   -13.999     0.000     28.48
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.161   -57.161     0.000     31.42
+   HCO3-           9.196e-04   8.880e-04    -3.036    -3.052    -0.015     26.43
+   CO3-2           9.837e-11   8.553e-11   -10.007   -10.068    -0.061     -1.11
+H(0)          4.838e-36
+   H2              2.419e-36   2.419e-36   -35.616   -35.616     0.000     28.48
+O(0)          2.372e-14
+   O2              1.186e-14   1.186e-14   -13.926   -13.926     0.000     31.42
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 238 atm)
 
-  CH4(g)          -18.34    -21.45   -3.10  CH4
+  CH4(g)         -104.81   -107.92   -3.10  CH4
   CO2(g)            1.94      0.09   -1.85  CO2	 Pressure 236.6 atm, phi 0.365
-  H2(g)           -10.75    -14.00   -3.25  H2
+  H2(g)           -32.37    -35.62   -3.25  H2
   H2O(g)           -0.86     -0.01    0.85  H2O	 Pressure   1.7 atm, phi 0.081
-  O2(g)           -54.01    -57.16   -3.15  O2
+  O2(g)           -10.77    -13.93   -3.15  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4830,20 +4831,20 @@ H2O(g)             0.32   2.086e+00  0.069   1.366e-01   1.482e-01   1.162e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.036      Charge balance
-                                       pe  =   2.093      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 481
+                                       pH  =   3.037      Charge balance
+                                       pe  =  13.058      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 451
                           Density (g/cm³)  =   1.01120
                                Volume (L)  =   1.04594
-                        Viscosity (mPa s)  =   0.55265
+                        Viscosity (mPa s)  =   0.55262
                         Activity of water  =   0.978
-                 Ionic strength (mol/kgw)  =   9.522e-04
+                 Ionic strength (mol/kgw)  =   9.498e-04
                        Mass of water (kg)  =   9.973e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.374e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 278.39
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  86
                                   Total H  = 1.107160e+02
@@ -4854,30 +4855,30 @@ H2O(g)             0.32   2.086e+00  0.069   1.366e-01   1.482e-01   1.162e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.522e-04   9.202e-04    -3.021    -3.036    -0.015      0.00
-   OH-             7.597e-11   7.328e-11   -10.119   -10.135    -0.016     -4.08
+   H+              9.498e-04   9.178e-04    -3.022    -3.037    -0.015      0.00
+   OH-             7.616e-11   7.346e-11   -10.118   -10.134    -0.016     -4.08
    H2O             5.551e+01   9.776e-01     1.744    -0.010     0.000     18.02
-C(-4)         1.157e-20
-   CH4             1.157e-20   1.158e-20   -19.936   -19.936     0.000     37.48
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -107.667  -107.667     0.000     37.48
 C(4)          1.374e+00
    CO2             1.255e+00   1.255e+00     0.099     0.099     0.000     35.37
    (CO2)2          5.915e-02   5.916e-02    -1.228    -1.228     0.000     70.73
-   HCO3-           9.522e-04   9.191e-04    -3.021    -3.037    -0.015     26.08
-   CO3-2           1.017e-10   8.828e-11    -9.993   -10.054    -0.062     -0.51
-H(0)          4.614e-14
-   H2              2.307e-14   2.308e-14   -13.637   -13.637     0.000     28.46
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -57.919   -57.919     0.000     31.34
+   HCO3-           9.498e-04   9.167e-04    -3.022    -3.038    -0.015     26.56
+   CO3-2           1.025e-10   8.898e-11    -9.989   -10.051    -0.062     -0.79
+H(0)          5.390e-36
+   H2              2.695e-36   2.695e-36   -35.569   -35.569     0.000     28.46
+O(0)          1.765e-14
+   O2              8.823e-15   8.825e-15   -14.054   -14.054     0.000     31.34
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 278 atm)
 
-  CH4(g)          -16.81    -19.94   -3.13  CH4
+  CH4(g)         -104.54   -107.67   -3.13  CH4
   CO2(g)            1.97      0.10   -1.87  CO2	 Pressure 276.3 atm, phi 0.338
-  H2(g)           -10.37    -13.64   -3.27  H2
+  H2(g)           -32.30    -35.57   -3.27  H2
   H2O(g)           -0.84     -0.01    0.83  H2O	 Pressure   2.1 atm, phi 0.069
-  O2(g)           -54.75    -57.92   -3.17  O2
+  O2(g)           -10.88    -14.05   -3.17  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -4891,18 +4892,6 @@ WARNING: Numerical method failed with this set of convergence parameters.
 
 WARNING: Trying smaller step size, pe step size 10, 5 ... 
 
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying reduced tolerance 1e-16 ...
-
-WARNING: Maximum iterations exceeded, 200
-
-WARNING: Numerical method failed with this set of convergence parameters.
-
-WARNING: Trying increased tolerance 1e-14 ...
-
 Using solution 1.	
 Using gas phase 1.	
 Using temperature 2.	
@@ -4944,54 +4933,54 @@ H2O(g)             0.40   2.523e+00  0.059   1.482e-01   1.595e-01   1.130e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.020      Charge balance
-                                       pe  =   1.050      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 499
+                                       pH  =   3.021      Charge balance
+                                       pe  =  14.519      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 467
                           Density (g/cm³)  =   1.01357
                                Volume (L)  =   1.04507
-                        Viscosity (mPa s)  =   0.55377
+                        Viscosity (mPa s)  =   0.55373
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   9.895e-04
+                 Ionic strength (mol/kgw)  =   9.860e-04
                        Mass of water (kg)  =   9.971e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.416e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 328.12
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  39 (542 overall)
+                               Iterations  =  43 (144 overall)
                                   Total H  = 1.106934e+02
-                                  Total O  = 5.816997e+01
+                                  Total O  = 5.816996e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.895e-04   9.557e-04    -3.005    -3.020    -0.015      0.00
-   OH-             7.624e-11   7.349e-11   -10.118   -10.134    -0.016     -4.12
+   H+              9.860e-04   9.524e-04    -3.006    -3.021    -0.015      0.00
+   OH-             7.650e-11   7.375e-11   -10.116   -10.132    -0.016     -4.12
    H2O             5.551e+01   9.770e-01     1.744    -0.010     0.000     17.98
-C(-4)         3.320e-12
-   CH4             3.320e-12   3.321e-12   -11.479   -11.479     0.000     37.50
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.243  -119.243     0.000     37.50
 C(4)          1.416e+00
    CO2             1.290e+00   1.290e+00     0.111     0.111     0.000     35.32
    (CO2)2          6.246e-02   6.248e-02    -1.204    -1.204     0.000     70.63
-   HCO3-           9.895e-04   9.545e-04    -3.005    -3.020    -0.016     26.15
-   CO3-2           1.067e-10   9.238e-11    -9.972   -10.034    -0.063     -0.08
-H(0)          5.756e-12
-   H2              2.878e-12   2.879e-12   -11.541   -11.541     0.000     28.45
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.154   -62.154     0.000     31.25
+   HCO3-           9.860e-04   9.512e-04    -3.006    -3.022    -0.016     26.72
+   CO3-2           1.078e-10   9.339e-11    -9.967   -10.030    -0.062     -0.39
+H(0)          6.592e-39
+   H2              3.296e-39   3.297e-39   -38.482   -38.482     0.000     28.45
+O(0)          1.069e-08
+   O2              5.344e-09   5.345e-09    -8.272    -8.272     0.000     31.25
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 328 atm)
 
-  CH4(g)           -8.32    -11.48   -3.16  CH4
+  CH4(g)         -116.08   -119.24   -3.16  CH4
   CO2(g)            2.01      0.11   -1.90  CO2	 Pressure 325.6 atm, phi 0.315
-  H2(g)            -8.25    -11.54   -3.29  H2
+  H2(g)           -35.19    -38.48   -3.29  H2
   H2O(g)           -0.83     -0.01    0.82  H2O	 Pressure   2.5 atm, phi 0.059
-  O2(g)           -58.96    -62.15   -3.20  O2
+  O2(g)            -5.07     -8.27   -3.20  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5046,22 +5035,22 @@ H2O(g)             0.48   3.055e+00  0.050   1.595e-01   1.702e-01   1.071e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.001      Charge balance
-                                       pe  =   1.065      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 520
+                                       pH  =   3.003      Charge balance
+                                       pe  =  14.536      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 488
                           Density (g/cm³)  =   1.01643
                                Volume (L)  =   1.04387
-                        Viscosity (mPa s)  =   0.55518
+                        Viscosity (mPa s)  =   0.55513
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   1.035e-03
+                 Ionic strength (mol/kgw)  =   1.030e-03
                        Mass of water (kg)  =   9.969e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.461e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 389.62
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  36 (137 overall)
+                               Iterations  =  35 (136 overall)
                                   Total H  = 1.106719e+02
                                   Total O  = 5.824829e+01
 
@@ -5070,30 +5059,30 @@ H2O(g)             0.48   3.055e+00  0.050   1.595e-01   1.702e-01   1.071e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.035e-03   9.987e-04    -2.985    -3.001    -0.015      0.00
-   OH-             7.679e-11   7.398e-11   -10.115   -10.131    -0.016     -4.17
+   H+              1.030e-03   9.938e-04    -2.987    -3.003    -0.015      0.00
+   OH-             7.716e-11   7.434e-11   -10.113   -10.129    -0.016     -4.17
    H2O             5.551e+01   9.763e-01     1.744    -0.010     0.000     17.94
-C(-4)         3.353e-12
-   CH4             3.353e-12   3.354e-12   -11.475   -11.474     0.000     37.52
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.260  -119.260     0.000     37.52
 C(4)          1.461e+00
    CO2             1.327e+00   1.328e+00     0.123     0.123     0.000     35.26
    (CO2)2          6.615e-02   6.616e-02    -1.179    -1.179     0.000     70.51
-   HCO3-           1.035e-03   9.974e-04    -2.985    -3.001    -0.016     26.25
-   CO3-2           1.130e-10   9.757e-11    -9.947   -10.011    -0.064      0.44
-H(0)          5.483e-12
-   H2              2.741e-12   2.742e-12   -11.562   -11.562     0.000     28.42
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.165   -62.165     0.000     31.14
+   HCO3-           1.030e-03   9.926e-04    -2.987    -3.003    -0.016     26.91
+   CO3-2           1.147e-10   9.905e-11    -9.941   -10.004    -0.064      0.08
+H(0)          6.203e-39
+   H2              3.102e-39   3.102e-39   -38.508   -38.508     0.000     28.42
+O(0)          1.069e-08
+   O2              5.345e-09   5.346e-09    -8.272    -8.272     0.000     31.14
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 390 atm)
 
-  CH4(g)           -8.28    -11.47   -3.20  CH4
+  CH4(g)         -116.06   -119.26   -3.20  CH4
   CO2(g)            2.06      0.12   -1.94  CO2	 Pressure 386.6 atm, phi 0.296
-  H2(g)            -8.24    -11.56   -3.32  H2
+  H2(g)           -35.19    -38.51   -3.32  H2
   H2O(g)           -0.81     -0.01    0.80  H2O	 Pressure   3.1 atm, phi 0.050
-  O2(g)           -58.94    -62.16   -3.23  O2
+  O2(g)            -5.04     -8.27   -3.23  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5148,54 +5137,54 @@ H2O(g)             0.57   3.696e+00  0.044   1.702e-01   1.801e-01   9.820e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.978      Charge balance
-                                       pe  =   1.082      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 546
+                                       pH  =   2.981      Charge balance
+                                       pe  =  14.556      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 512
                           Density (g/cm³)  =   1.01986
                                Volume (L)  =   1.04226
-                        Viscosity (mPa s)  =   0.55696
+                        Viscosity (mPa s)  =   0.55689
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   1.090e-03
+                 Ionic strength (mol/kgw)  =   1.082e-03
                        Mass of water (kg)  =   9.967e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.509e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 465.50
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.106523e+02
-                                  Total O  = 5.833443e+01
+                                  Total O  = 5.833442e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.090e-03   1.051e-03    -2.963    -2.978    -0.016      0.00
-   OH-             7.774e-11   7.483e-11   -10.109   -10.126    -0.017     -4.22
+   H+              1.082e-03   1.044e-03    -2.966    -2.981    -0.016      0.00
+   OH-             7.827e-11   7.534e-11   -10.106   -10.123    -0.017     -4.22
    H2O             5.551e+01   9.755e-01     1.744    -0.011     0.000     17.88
-C(-4)         3.393e-12
-   CH4             3.393e-12   3.394e-12   -11.469   -11.469     0.000     37.55
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.283  -119.283     0.000     37.55
 C(4)          1.509e+00
    CO2             1.368e+00   1.368e+00     0.136     0.136     0.000     35.18
    (CO2)2          7.022e-02   7.023e-02    -1.154    -1.153     0.000     70.37
-   HCO3-           1.090e-03   1.050e-03    -2.963    -2.979    -0.016     26.36
-   CO3-2           1.210e-10   1.041e-10    -9.917    -9.982    -0.065      1.04
-H(0)          5.171e-12
-   H2              2.586e-12   2.586e-12   -11.587   -11.587     0.000     28.39
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.179   -62.179     0.000     31.01
+   HCO3-           1.082e-03   1.042e-03    -2.966    -2.982    -0.016     27.14
+   CO3-2           1.235e-10   1.063e-10    -9.909    -9.973    -0.065      0.64
+H(0)          5.756e-39
+   H2              2.878e-39   2.879e-39   -38.541   -38.541     0.000     28.39
+O(0)          1.069e-08
+   O2              5.346e-09   5.347e-09    -8.272    -8.272     0.000     31.01
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 466 atm)
 
-  CH4(g)           -8.22    -11.47   -3.25  CH4
+  CH4(g)         -116.04   -119.28   -3.25  CH4
   CO2(g)            2.11      0.14   -1.98  CO2	 Pressure 461.8 atm, phi 0.282
-  H2(g)            -8.23    -11.59   -3.35  H2
+  H2(g)           -35.19    -38.54   -3.35  H2
   H2O(g)           -0.79     -0.01    0.78  H2O	 Pressure   3.7 atm, phi 0.044
-  O2(g)           -58.91    -62.18   -3.27  O2
+  O2(g)            -5.01     -8.27   -3.27  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5230,7 +5219,7 @@ Reaction 1.
 
 -----------------------------------Gas phase-----------------------------------
 
-Total pressure: 559.08      atmospheres          (Peng-Robinson calculation)
+Total pressure: 559.09      atmospheres          (Peng-Robinson calculation)
     Gas volume:   1.00e+00 liters
   Molar volume:   4.23e-02 liters/mole
    P * Vm / RT:  0.89211  (Compressibility Factor Z) 
@@ -5240,7 +5229,7 @@ Total pressure: 559.08      atmospheres          (Peng-Robinson calculation)
 Component         log P           P    phi     Initial       Final       Delta
 
 CO2(g)             2.74   5.546e+02  0.274   2.250e+01   2.344e+01   9.489e-01
-H2O(g)             0.65   4.462e+00  0.039   1.801e-01   1.886e-01   8.574e-03
+H2O(g)             0.65   4.463e+00  0.039   1.801e-01   1.886e-01   8.575e-03
 
 -----------------------------Solution composition------------------------------
 
@@ -5250,54 +5239,54 @@ H2O(g)             0.65   4.462e+00  0.039   1.801e-01   1.886e-01   8.574e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.953      Charge balance
-                                       pe  =   1.102      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 578
-                          Density (g/cm³)  =   1.02396
-                               Volume (L)  =   1.04013
-                        Viscosity (mPa s)  =   0.55922
+                                       pH  =   2.957      Charge balance
+                                       pe  =  14.579      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 542
+                          Density (g/cm³)  =   1.02395
+                               Volume (L)  =   1.04014
+                        Viscosity (mPa s)  =   0.55913
                         Activity of water  =   0.975
-                 Ionic strength (mol/kgw)  =   1.157e-03
+                 Ionic strength (mol/kgw)  =   1.146e-03
                        Mass of water (kg)  =   9.966e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.561e+00
                          Temperature (°C)  =  50.00
-                           Pressure (atm)  = 559.08
-                  Electrical balance (eq)  =  -1.213e-09
+                           Pressure (atm)  = 559.09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.106352e+02
-                                  Total O  = 5.842815e+01
+                                  Total O  = 5.842814e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.157e-03   1.115e-03    -2.937    -2.953    -0.016      0.00
-   OH-             7.922e-11   7.618e-11   -10.101   -10.118    -0.017     -4.28
+   H+              1.146e-03   1.104e-03    -2.941    -2.957    -0.016      0.00
+   OH-             7.998e-11   7.693e-11   -10.097   -10.114    -0.017     -4.28
    H2O             5.551e+01   9.747e-01     1.744    -0.011     0.000     17.82
-C(-4)         3.438e-12
-   CH4             3.438e-12   3.439e-12   -11.464   -11.464     0.000     37.58
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.314  -119.314     0.000     37.58
 C(4)          1.561e+00
    CO2             1.410e+00   1.410e+00     0.149     0.149     0.000     35.10
    (CO2)2          7.466e-02   7.468e-02    -1.127    -1.127     0.000     70.20
-   HCO3-           1.157e-03   1.113e-03    -2.937    -2.953    -0.017     26.49
-   CO3-2           1.311e-10   1.125e-10    -9.882    -9.949    -0.067      1.76
-H(0)          4.818e-12
-   H2              2.409e-12   2.410e-12   -11.618   -11.618     0.000     28.36
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.197   -62.197     0.000     30.85
+   HCO3-           1.146e-03   1.103e-03    -2.941    -2.958    -0.017     27.41
+   CO3-2           1.349e-10   1.158e-10    -9.870    -9.936    -0.066      1.29
+H(0)          5.251e-39
+   H2              2.626e-39   2.626e-39   -38.581   -38.581     0.000     28.36
+O(0)          1.069e-08
+   O2              5.347e-09   5.348e-09    -8.272    -8.272     0.000     30.85
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 559 atm)
 
-  CH4(g)           -8.16    -11.46   -3.30  CH4
+  CH4(g)         -116.01   -119.31   -3.30  CH4
   CO2(g)            2.18      0.15   -2.03  CO2	 Pressure 554.6 atm, phi 0.274
-  H2(g)            -8.22    -11.62   -3.40  H2
+  H2(g)           -35.19    -38.58   -3.40  H2
   H2O(g)           -0.76     -0.01    0.75  H2O	 Pressure   4.5 atm, phi 0.039
-  O2(g)           -58.88    -62.20   -3.31  O2
+  O2(g)            -4.96     -8.27   -3.31  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5352,54 +5341,54 @@ H2O(g)             0.73   5.366e+00  0.035   1.886e-01   1.956e-01   6.925e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.923      Charge balance
-                                       pe  =   1.124      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 616
+                                       pH  =   2.929      Charge balance
+                                       pe  =  14.605      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 579
                           Density (g/cm³)  =   1.02885
                                Volume (L)  =   1.03737
-                        Viscosity (mPa s)  =   0.56211
+                        Viscosity (mPa s)  =   0.56199
                         Activity of water  =   0.974
-                 Ionic strength (mol/kgw)  =   1.240e-03
+                 Ionic strength (mol/kgw)  =   1.223e-03
                        Mass of water (kg)  =   9.965e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.615e+00
                          Temperature (°C)  =  50.00
                            Pressure (atm)  = 674.65
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.214e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.106213e+02
-                                  Total O  = 5.852889e+01
+                                  Total O  = 5.852887e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.240e-03   1.194e-03    -2.907    -2.923    -0.016      0.00
-   OH-             8.146e-11   7.825e-11   -10.089   -10.107    -0.017     -4.35
+   H+              1.223e-03   1.178e-03    -2.913    -2.929    -0.016      0.00
+   OH-             8.256e-11   7.933e-11   -10.083   -10.101    -0.017     -4.35
    H2O             5.551e+01   9.739e-01     1.744    -0.011     0.000     17.74
-C(-4)         3.488e-12
-   CH4             3.488e-12   3.489e-12   -11.457   -11.457     0.000     37.61
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.355  -119.355     0.000     37.61
 C(4)          1.615e+00
    CO2             1.455e+00   1.455e+00     0.163     0.163     0.000     35.00
    (CO2)2          7.945e-02   7.947e-02    -1.100    -1.100     0.000     69.99
-   HCO3-           1.240e-03   1.192e-03    -2.907    -2.924    -0.017     26.65
-   CO3-2           1.441e-10   1.231e-10    -9.841    -9.910    -0.068      2.59
-H(0)          4.421e-12
-   H2              2.211e-12   2.211e-12   -11.655   -11.655     0.000     28.33
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.221   -62.220     0.000     30.67
+   HCO3-           1.223e-03   1.176e-03    -2.913    -2.930    -0.017     27.73
+   CO3-2           1.500e-10   1.283e-10    -9.824    -9.892    -0.068      2.06
+H(0)          4.690e-39
+   H2              2.345e-39   2.346e-39   -38.630   -38.630     0.000     28.33
+O(0)          1.069e-08
+   O2              5.347e-09   5.349e-09    -8.272    -8.272     0.000     30.67
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 675 atm)
 
-  CH4(g)           -8.08    -11.46   -3.37  CH4
+  CH4(g)         -115.98   -119.35   -3.37  CH4
   CO2(g)            2.26      0.16   -2.10  CO2	 Pressure 669.3 atm, phi 0.272
-  H2(g)            -8.21    -11.66   -3.45  H2
+  H2(g)           -35.18    -38.63   -3.45  H2
   H2O(g)           -0.73     -0.01    0.72  H2O	 Pressure   5.4 atm, phi 0.035
-  O2(g)           -58.85    -62.22   -3.37  O2
+  O2(g)            -4.90     -8.27   -3.37  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5434,7 +5423,7 @@ Reaction 1.
 
 -----------------------------------Gas phase-----------------------------------
 
-Total pressure: 817.85      atmospheres          (Peng-Robinson calculation)
+Total pressure: 817.86      atmospheres          (Peng-Robinson calculation)
     Gas volume:   1.00e+00 liters
   Molar volume:   3.92e-02 liters/mole
    P * Vm / RT:  1.20781  (Compressibility Factor Z) 
@@ -5443,7 +5432,7 @@ Total pressure: 817.85      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CO2(g)             2.91   8.114e+02  0.278   2.439e+01   2.534e+01   9.442e-01
+CO2(g)             2.91   8.114e+02  0.278   2.439e+01   2.534e+01   9.443e-01
 H2O(g)             0.81   6.418e+00  0.032   1.956e-01   2.004e-01   4.813e-03
 
 -----------------------------Solution composition------------------------------
@@ -5454,54 +5443,54 @@ H2O(g)             0.81   6.418e+00  0.032   1.956e-01   2.004e-01   4.813e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.888      Charge balance
-                                       pe  =   1.148      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  50°C)  = 663
-                          Density (g/cm³)  =   1.03469
-                               Volume (L)  =   1.03380
-                        Viscosity (mPa s)  =   0.56583
+                                       pH  =   2.897      Charge balance
+                                       pe  =  14.634      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  50°C)  = 623
+                          Density (g/cm³)  =   1.03468
+                               Volume (L)  =   1.03381
+                        Viscosity (mPa s)  =   0.56567
                         Activity of water  =   0.973
-                 Ionic strength (mol/kgw)  =   1.344e-03
+                 Ionic strength (mol/kgw)  =   1.318e-03
                        Mass of water (kg)  =   9.964e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.671e+00
                          Temperature (°C)  =  50.00
-                           Pressure (atm)  = 817.85
-                  Electrical balance (eq)  =  -1.213e-09
+                           Pressure (atm)  = 817.86
+                  Electrical balance (eq)  =  -1.214e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.106117e+02
-                                  Total O  = 5.863558e+01
+                                  Total O  = 5.863555e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.344e-03   1.293e-03    -2.872    -2.888    -0.017      0.00
-   OH-             8.475e-11   8.130e-11   -10.072   -10.090    -0.018     -4.42
+   H+              1.318e-03   1.268e-03    -2.880    -2.897    -0.017      0.00
+   OH-             8.639e-11   8.290e-11   -10.064   -10.081    -0.018     -4.43
    H2O             5.551e+01   9.730e-01     1.744    -0.012     0.000     17.64
-C(-4)         3.540e-12
-   CH4             3.540e-12   3.541e-12   -11.451   -11.451     0.000     37.65
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -119.408  -119.408     0.000     37.65
 C(4)          1.671e+00
    CO2             1.501e+00   1.501e+00     0.176     0.176     0.000     34.88
    (CO2)2          8.454e-02   8.456e-02    -1.073    -1.073     0.000     69.76
-   HCO3-           1.344e-03   1.291e-03    -2.872    -2.889    -0.018     26.83
-   CO3-2           1.610e-10   1.368e-10    -9.793    -9.864    -0.071      3.56
-H(0)          3.980e-12
-   H2              1.990e-12   1.991e-12   -11.701   -11.701     0.000     28.28
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -62.250   -62.250     0.000     30.47
+   HCO3-           1.318e-03   1.266e-03    -2.880    -2.898    -0.017     28.09
+   CO3-2           1.703e-10   1.450e-10    -9.769    -9.839    -0.070      2.95
+H(0)          4.080e-39
+   H2              2.040e-39   2.041e-39   -38.690   -38.690     0.000     28.28
+O(0)          1.070e-08
+   O2              5.348e-09   5.349e-09    -8.272    -8.272     0.000     30.47
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(323 K, 818 atm)
 
-  CH4(g)           -7.99    -11.45   -3.46  CH4
+  CH4(g)         -115.94   -119.41   -3.46  CH4
   CO2(g)            2.35      0.18   -2.18  CO2	 Pressure 811.4 atm, phi 0.278
-  H2(g)            -8.19    -11.70   -3.51  H2
+  H2(g)           -35.18    -38.69   -3.51  H2
   H2O(g)           -0.69     -0.01    0.68  H2O	 Pressure   6.4 atm, phi 0.032
-  O2(g)           -58.81    -62.25   -3.44  O2
+  O2(g)            -4.83     -8.27   -3.44  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5657,11 +5646,11 @@ H2O(g)            -0.36   4.356e-01  0.874   1.332e-02   1.642e-02   3.100e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.465      Charge balance
-                                       pe  =  10.794      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 217
+                                       pe  =  10.797      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 215
                           Density (g/cm³)  =   0.97762
                                Volume (L)  =   1.03384
-                        Viscosity (mPa s)  =   0.37807
+                        Viscosity (mPa s)  =   0.37804
                         Activity of water  =   0.996
                  Ionic strength (mol/kgw)  =   3.505e-04
                        Mass of water (kg)  =   9.997e-01
@@ -5680,30 +5669,30 @@ H2O(g)            -0.36   4.356e-01  0.874   1.332e-02   1.642e-02   3.100e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              3.505e-04   3.425e-04    -3.455    -3.465    -0.010      0.00
+   H+              3.505e-04   3.426e-04    -3.455    -3.465    -0.010      0.00
    OH-             6.206e-10   6.060e-10    -9.207    -9.218    -0.010     -4.53
    H2O             5.551e+01   9.958e-01     1.744    -0.002     0.000     18.46
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -96.500   -96.500     0.000     39.08
+   CH4             0.000e+00   0.000e+00   -96.527   -96.527     0.000     39.08
 C(4)          2.500e-01
    CO2             2.422e-01   2.422e-01    -0.616    -0.616     0.000     37.04
    (CO2)2          3.732e-03   3.732e-03    -2.428    -2.428     0.000     74.08
-   HCO3-           3.505e-04   3.424e-04    -3.455    -3.466    -0.010     25.37
-   CO3-2           8.397e-11   7.644e-11   -10.076   -10.117    -0.041     -4.45
-H(0)          2.746e-32
-   H2              1.373e-32   1.373e-32   -31.862   -31.862     0.000     28.57
-O(0)          2.786e-15
-   O2              1.393e-15   1.393e-15   -14.856   -14.856     0.000     32.93
+   HCO3-           3.505e-04   3.424e-04    -3.455    -3.465    -0.010     25.25
+   CO3-2           8.398e-11   7.645e-11   -10.076   -10.117    -0.041     -4.80
+H(0)          2.704e-32
+   H2              1.352e-32   1.352e-32   -31.869   -31.869     0.000     28.57
+O(0)          2.875e-15
+   O2              1.437e-15   1.437e-15   -14.842   -14.842     0.000     32.93
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  20 atm)
 
-  CH4(g)          -93.48    -96.50   -3.02  CH4
+  CH4(g)          -93.50    -96.53   -3.02  CH4
   CO2(g)            1.27     -0.62   -1.88  CO2	 Pressure  19.9 atm, phi 0.933
-  H2(g)           -28.72    -31.86   -3.14  H2
+  H2(g)           -28.73    -31.87   -3.14  H2
   H2O(g)           -0.42     -0.00    0.42  H2O	 Pressure   0.4 atm, phi 0.874
-  O2(g)           -11.75    -14.86   -3.11  O2
+  O2(g)           -11.73    -14.84   -3.11  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5752,21 +5741,21 @@ H2O(g)            -0.30   4.993e-01  0.769   1.642e-02   2.026e-02   3.838e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.339      Charge balance
-                                       pe  =  11.044      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 290
+                                       pe  =   2.019      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 285
                           Density (g/cm³)  =   0.97995
                                Volume (L)  =   1.04028
-                        Viscosity (mPa s)  =   0.37860
+                        Viscosity (mPa s)  =   0.37856
                         Activity of water  =   0.993
                  Ionic strength (mol/kgw)  =   4.703e-04
                        Mass of water (kg)  =   9.996e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   4.496e-01
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 38.71
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  28
+                               Iterations  =  35
                                   Total H  = 1.109719e+02
                                   Total O  = 5.638485e+01
 
@@ -5776,29 +5765,29 @@ H2O(g)            -0.30   4.993e-01  0.769   1.642e-02   2.026e-02   3.838e-03
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
    H+              4.703e-04   4.580e-04    -3.328    -3.339    -0.011      0.00
-   OH-             4.713e-10   4.585e-10    -9.327    -9.339    -0.012     -4.59
+   OH-             4.712e-10   4.585e-10    -9.327    -9.339    -0.012     -4.59
    H2O             5.551e+01   9.925e-01     1.744    -0.003     0.000     18.45
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.254   -97.254     0.000     39.07
+C(-4)         8.775e-26
+   CH4             8.775e-26   8.775e-26   -25.057   -25.057     0.000     39.07
 C(4)          4.496e-01
    CO2             4.260e-01   4.261e-01    -0.371    -0.371     0.000     37.01
    (CO2)2          1.155e-02   1.155e-02    -1.937    -1.937     0.000     74.01
-   HCO3-           4.703e-04   4.577e-04    -3.328    -3.339    -0.012     25.42
-   CO3-2           8.679e-11   7.788e-11   -10.062   -10.109    -0.047     -4.22
-H(0)          1.524e-32
-   H2              7.619e-33   7.619e-33   -32.118   -32.118     0.000     28.56
-O(0)          8.689e-15
-   O2              4.345e-15   4.345e-15   -14.362   -14.362     0.000     32.88
+   HCO3-           4.703e-04   4.577e-04    -3.328    -3.339    -0.012     25.34
+   CO3-2           8.682e-11   7.791e-11   -10.061   -10.108    -0.047     -4.59
+H(0)          1.707e-14
+   H2              8.536e-15   8.537e-15   -14.069   -14.069     0.000     28.56
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -50.461   -50.461     0.000     32.88
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  39 atm)
 
-  CH4(g)          -94.22    -97.25   -3.04  CH4
+  CH4(g)          -22.02    -25.06   -3.04  CH4
   CO2(g)            1.52     -0.37   -1.89  CO2	 Pressure  38.2 atm, phi 0.875
-  H2(g)           -28.97    -32.12   -3.15  H2
+  H2(g)           -10.92    -14.07   -3.15  H2
   H2O(g)           -0.42     -0.00    0.41  H2O	 Pressure   0.5 atm, phi 0.769
-  O2(g)           -11.25    -14.36   -3.12  O2
+  O2(g)           -47.34    -50.46   -3.12  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5847,15 +5836,15 @@ H2O(g)            -0.24   5.707e-01  0.679   2.026e-02   2.494e-02   4.679e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.275      Charge balance
-                                       pe  =  11.156      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 337
+                                       pe  =   1.995      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 327
                           Density (g/cm³)  =   0.98185
                                Volume (L)  =   1.04514
-                        Viscosity (mPa s)  =   0.37908
+                        Viscosity (mPa s)  =   0.37903
                         Activity of water  =   0.990
-                 Ionic strength (mol/kgw)  =   5.461e-04
+                 Ionic strength (mol/kgw)  =   5.462e-04
                        Mass of water (kg)  =   9.995e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   6.050e-01
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 55.38
@@ -5873,27 +5862,27 @@ H2O(g)            -0.24   5.707e-01  0.679   2.026e-02   2.494e-02   4.679e-03
    H+              5.461e-04   5.309e-04    -3.263    -3.275    -0.012      0.00
    OH-             4.119e-10   3.999e-10    -9.385    -9.398    -0.013     -4.64
    H2O             5.551e+01   9.901e-01     1.744    -0.004     0.000     18.43
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.526   -97.525     0.000     39.07
+C(-4)         5.788e-25
+   CH4             5.788e-25   5.789e-25   -24.237   -24.237     0.000     39.07
 C(4)          6.050e-01
    CO2             5.640e-01   5.640e-01    -0.249    -0.249     0.000     36.98
    (CO2)2          2.024e-02   2.024e-02    -1.694    -1.694     0.000     73.95
-   HCO3-           5.461e-04   5.305e-04    -3.263    -3.275    -0.013     25.47
-   CO3-2           8.897e-11   7.921e-11   -10.051   -10.101    -0.050     -4.01
-H(0)          1.200e-32
-   H2              6.002e-33   6.003e-33   -32.222   -32.222     0.000     28.55
-O(0)          1.351e-14
-   O2              6.753e-15   6.754e-15   -14.171   -14.170     0.000     32.83
+   HCO3-           5.462e-04   5.305e-04    -3.263    -3.275    -0.013     25.42
+   CO3-2           8.903e-11   7.926e-11   -10.050   -10.101    -0.050     -4.41
+H(0)          2.520e-14
+   H2              1.260e-14   1.260e-14   -13.900   -13.900     0.000     28.55
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -50.815   -50.815     0.000     32.83
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  55 atm)
 
-  CH4(g)          -94.48    -97.53   -3.05  CH4
+  CH4(g)          -21.19    -24.24   -3.05  CH4
   CO2(g)            1.66     -0.25   -1.90  CO2	 Pressure  54.8 atm, phi 0.825
-  H2(g)           -29.07    -32.22   -3.16  H2
+  H2(g)           -10.74    -13.90   -3.16  H2
   H2O(g)           -0.41     -0.00    0.41  H2O	 Pressure   0.6 atm, phi 0.679
-  O2(g)           -11.05    -14.17   -3.13  O2
+  O2(g)           -47.69    -50.81   -3.13  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -5942,15 +5931,15 @@ H2O(g)            -0.19   6.497e-01  0.601   2.494e-02   3.056e-02   5.615e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.236      Charge balance
-                                       pe  =  11.195      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 369
+                                       pe  =   2.005      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 356
                           Density (g/cm³)  =   0.98339
                                Volume (L)  =   1.04871
-                        Viscosity (mPa s)  =   0.37950
+                        Viscosity (mPa s)  =   0.37944
                         Activity of water  =   0.988
                  Ionic strength (mol/kgw)  =   5.986e-04
                        Mass of water (kg)  =   9.994e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   7.238e-01
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 70.32
@@ -5968,27 +5957,27 @@ H2O(g)            -0.19   6.497e-01  0.601   2.494e-02   3.056e-02   5.615e-03
    H+              5.986e-04   5.812e-04    -3.223    -3.236    -0.013      0.00
    OH-             3.806e-10   3.691e-10    -9.419    -9.433    -0.013     -4.69
    H2O             5.551e+01   9.882e-01     1.744    -0.005     0.000     18.42
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.456   -97.456     0.000     39.07
+C(-4)         1.164e-24
+   CH4             1.164e-24   1.164e-24   -23.934   -23.934     0.000     39.07
 C(4)          7.238e-01
    CO2             6.667e-01   6.667e-01    -0.176    -0.176     0.000     36.95
    (CO2)2          2.828e-02   2.829e-02    -1.548    -1.548     0.000     73.90
-   HCO3-           5.986e-04   5.807e-04    -3.223    -3.236    -0.013     25.51
-   CO3-2           9.078e-11   8.041e-11   -10.042   -10.095    -0.053     -3.83
-H(0)          1.185e-32
-   H2              5.925e-33   5.926e-33   -32.227   -32.227     0.000     28.54
-O(0)          1.343e-14
-   O2              6.714e-15   6.715e-15   -14.173   -14.173     0.000     32.79
+   HCO3-           5.986e-04   5.807e-04    -3.223    -3.236    -0.013     25.49
+   CO3-2           9.086e-11   8.049e-11   -10.042   -10.094    -0.053     -4.25
+H(0)          2.847e-14
+   H2              1.423e-14   1.424e-14   -13.847   -13.847     0.000     28.54
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -50.934   -50.934     0.000     32.79
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  70 atm)
 
-  CH4(g)          -94.40    -97.46   -3.05  CH4
+  CH4(g)          -20.88    -23.93   -3.05  CH4
   CO2(g)            1.74     -0.18   -1.91  CO2	 Pressure  69.7 atm, phi 0.782
-  H2(g)           -29.06    -32.23   -3.16  H2
+  H2(g)           -10.68    -13.85   -3.16  H2
   H2O(g)           -0.41     -0.01    0.40  H2O	 Pressure   0.6 atm, phi 0.601
-  O2(g)           -11.04    -14.17   -3.13  O2
+  O2(g)           -47.80    -50.93   -3.13  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6037,13 +6026,13 @@ H2O(g)            -0.13   7.364e-01  0.534   3.056e-02   3.718e-02   6.627e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.209      Charge balance
-                                       pe  =  11.161      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 392
+                                       pe  =   1.984      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 376
                           Density (g/cm³)  =   0.98464
                                Volume (L)  =   1.05128
-                        Viscosity (mPa s)  =   0.37987
+                        Viscosity (mPa s)  =   0.37980
                         Activity of water  =   0.987
-                 Ionic strength (mol/kgw)  =   6.365e-04
+                 Ionic strength (mol/kgw)  =   6.364e-04
                        Mass of water (kg)  =   9.993e-01
                  Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   8.142e-01
@@ -6051,7 +6040,7 @@ H2O(g)            -0.13   7.364e-01  0.534   3.056e-02   3.718e-02   6.627e-03
                            Pressure (atm)  = 83.65
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  21
+                               Iterations  =  20
                                   Total H  = 1.109381e+02
                                   Total O  = 5.709630e+01
 
@@ -6060,30 +6049,30 @@ H2O(g)            -0.13   7.364e-01  0.534   3.056e-02   3.718e-02   6.627e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.365e-04   6.175e-04    -3.196    -3.209    -0.013      0.00
+   H+              6.364e-04   6.174e-04    -3.196    -3.209    -0.013      0.00
    OH-             3.620e-10   3.507e-10    -9.441    -9.455    -0.014     -4.73
    H2O             5.551e+01   9.867e-01     1.744    -0.006     0.000     18.41
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -96.935   -96.935     0.000     39.07
+C(-4)         3.073e-24
+   CH4             3.073e-24   3.073e-24   -23.512   -23.512     0.000     39.07
 C(4)          8.142e-01
    CO2             7.432e-01   7.433e-01    -0.129    -0.129     0.000     36.92
    (CO2)2          3.515e-02   3.516e-02    -1.454    -1.454     0.000     73.85
-   HCO3-           6.365e-04   6.169e-04    -3.196    -3.210    -0.014     25.54
-   CO3-2           9.231e-11   8.148e-11   -10.035   -10.089    -0.054     -3.68
-H(0)          1.543e-32
-   H2              7.713e-33   7.715e-33   -32.113   -32.113     0.000     28.54
-O(0)          7.708e-15
-   O2              3.854e-15   3.855e-15   -14.414   -14.414     0.000     32.75
+   HCO3-           6.364e-04   6.169e-04    -3.196    -3.210    -0.014     25.55
+   CO3-2           9.243e-11   8.159e-11   -10.034   -10.088    -0.054     -4.11
+H(0)          3.498e-14
+   H2              1.749e-14   1.749e-14   -13.757   -13.757     0.000     28.54
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -51.125   -51.125     0.000     32.75
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  84 atm)
 
-  CH4(g)          -93.87    -96.93   -3.06  CH4
+  CH4(g)          -20.45    -23.51   -3.06  CH4
   CO2(g)            1.79     -0.13   -1.92  CO2	 Pressure  82.9 atm, phi 0.746
-  H2(g)           -28.94    -32.11   -3.17  H2
+  H2(g)           -10.59    -13.76   -3.17  H2
   H2O(g)           -0.41     -0.01    0.40  H2O	 Pressure   0.7 atm, phi 0.534
-  O2(g)           -11.27    -14.41   -3.14  O2
+  O2(g)           -47.99    -51.13   -3.14  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6132,11 +6121,11 @@ H2O(g)            -0.08   8.308e-01  0.476   3.718e-02   4.488e-02   7.699e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.191      Charge balance
-                                       pe  =  11.265      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 409
+                                       pe  =   1.945      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 391
                           Density (g/cm³)  =   0.98568
                                Volume (L)  =   1.05312
-                        Viscosity (mPa s)  =   0.38019
+                        Viscosity (mPa s)  =   0.38013
                         Activity of water  =   0.986
                  Ionic strength (mol/kgw)  =   6.648e-04
                        Mass of water (kg)  =   9.992e-01
@@ -6155,30 +6144,30 @@ H2O(g)            -0.08   8.308e-01  0.476   3.718e-02   4.488e-02   7.699e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.648e-04   6.446e-04    -3.177    -3.191    -0.013      0.00
+   H+              6.648e-04   6.445e-04    -3.177    -3.191    -0.013      0.00
    OH-             3.500e-10   3.389e-10    -9.456    -9.470    -0.014     -4.77
    H2O             5.551e+01   9.857e-01     1.744    -0.006     0.000     18.40
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.585   -97.585     0.000     39.06
+C(-4)         9.441e-24
+   CH4             9.441e-24   9.442e-24   -23.025   -23.025     0.000     39.06
 C(4)          8.833e-01
    CO2             8.010e-01   8.010e-01    -0.096    -0.096     0.000     36.90
    (CO2)2          4.082e-02   4.083e-02    -1.389    -1.389     0.000     73.80
-   HCO3-           6.648e-04   6.440e-04    -3.177    -3.191    -0.014     25.57
-   CO3-2           9.364e-11   8.245e-11   -10.029   -10.084    -0.055     -3.54
-H(0)          1.032e-32
-   H2              5.162e-33   5.163e-33   -32.287   -32.287     0.000     28.53
-O(0)          1.680e-14
-   O2              8.400e-15   8.401e-15   -14.076   -14.076     0.000     32.72
+   HCO3-           6.648e-04   6.439e-04    -3.177    -3.191    -0.014     25.60
+   CO3-2           9.379e-11   8.258e-11   -10.028   -10.083    -0.055     -3.99
+H(0)          4.508e-14
+   H2              2.254e-14   2.254e-14   -13.647   -13.647     0.000     28.53
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -51.356   -51.356     0.000     32.72
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K,  96 atm)
 
-  CH4(g)          -94.52    -97.59   -3.07  CH4
+  CH4(g)          -19.96    -23.02   -3.07  CH4
   CO2(g)            1.83     -0.10   -1.93  CO2	 Pressure  94.7 atm, phi 0.714
-  H2(g)           -29.11    -32.29   -3.17  H2
+  H2(g)           -10.47    -13.65   -3.17  H2
   H2O(g)           -0.40     -0.01    0.40  H2O	 Pressure   0.8 atm, phi 0.476
-  O2(g)           -10.93    -14.08   -3.15  O2
+  O2(g)           -48.21    -51.36   -3.15  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6227,15 +6216,15 @@ H2O(g)            -0.03   9.337e-01  0.426   4.488e-02   5.370e-02   8.815e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.177      Charge balance
-                                       pe  =  11.228      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 422
+                                       pe  =   1.879      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 402
                           Density (g/cm³)  =   0.98654
                                Volume (L)  =   1.05442
-                        Viscosity (mPa s)  =   0.38049
+                        Viscosity (mPa s)  =   0.38042
                         Activity of water  =   0.985
-                 Ionic strength (mol/kgw)  =   6.868e-04
+                 Ionic strength (mol/kgw)  =   6.867e-04
                        Mass of water (kg)  =   9.990e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   9.370e-01
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 106.37
@@ -6250,30 +6239,30 @@ H2O(g)            -0.03   9.337e-01  0.426   4.488e-02   5.370e-02   8.815e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.868e-04   6.656e-04    -3.163    -3.177    -0.014      0.00
+   H+              6.867e-04   6.655e-04    -3.163    -3.177    -0.014      0.00
    OH-             3.419e-10   3.308e-10    -9.466    -9.480    -0.014     -4.81
    H2O             5.551e+01   9.848e-01     1.744    -0.007     0.000     18.39
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.164   -97.164     0.000     39.06
+C(-4)         4.230e-23
+   CH4             4.230e-23   4.231e-23   -22.374   -22.374     0.000     39.06
 C(4)          9.370e-01
    CO2             8.454e-01   8.455e-01    -0.073    -0.073     0.000     36.88
    (CO2)2          4.548e-02   4.549e-02    -1.342    -1.342     0.000     73.77
-   HCO3-           6.868e-04   6.650e-04    -3.163    -3.177    -0.014     25.60
-   CO3-2           9.483e-11   8.333e-11   -10.023   -10.079    -0.056     -3.41
-H(0)          1.288e-32
-   H2              6.442e-33   6.443e-33   -32.191   -32.191     0.000     28.53
-O(0)          1.056e-14
-   O2              5.278e-15   5.279e-15   -14.278   -14.277     0.000     32.69
+   HCO3-           6.867e-04   6.649e-04    -3.163    -3.177    -0.014     25.65
+   CO3-2           9.501e-11   8.349e-11   -10.022   -10.078    -0.056     -3.88
+H(0)          6.421e-14
+   H2              3.211e-14   3.211e-14   -13.493   -13.493     0.000     28.53
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -51.673   -51.673     0.000     32.69
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 106 atm)
 
-  CH4(g)          -94.09    -97.16   -3.08  CH4
+  CH4(g)          -19.30    -22.37   -3.08  CH4
   CO2(g)            1.86     -0.07   -1.93  CO2	 Pressure 105.4 atm, phi 0.687
-  H2(g)           -29.01    -32.19   -3.18  H2
+  H2(g)           -10.31    -13.49   -3.18  H2
   H2O(g)           -0.40     -0.01    0.39  H2O	 Pressure   0.9 atm, phi 0.426
-  O2(g)           -11.13    -14.28   -3.15  O2
+  O2(g)           -48.52    -51.67   -3.15  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6322,13 +6311,13 @@ H2O(g)             0.02   1.046e+00  0.383   5.370e-02   6.365e-02   9.958e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.166      Charge balance
-                                       pe  =  11.077      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 432
+                                       pe  =   1.968      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 411
                           Density (g/cm³)  =   0.98730
                                Volume (L)  =   1.05534
-                        Viscosity (mPa s)  =   0.38077
+                        Viscosity (mPa s)  =   0.38069
                         Activity of water  =   0.984
-                 Ionic strength (mol/kgw)  =   7.046e-04
+                 Ionic strength (mol/kgw)  =   7.045e-04
                        Mass of water (kg)  =   9.988e-01
                  Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   9.802e-01
@@ -6336,7 +6325,7 @@ H2O(g)             0.02   1.046e+00  0.383   5.370e-02   6.365e-02   9.958e-03
                            Pressure (atm)  = 116.43
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  27
+                               Iterations  =  26
                                   Total H  = 1.108851e+02
                                   Total O  = 5.740062e+01
 
@@ -6345,30 +6334,30 @@ H2O(g)             0.02   1.046e+00  0.383   5.370e-02   6.365e-02   9.958e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.046e-04   6.826e-04    -3.152    -3.166    -0.014      0.00
-   OH-             3.360e-10   3.250e-10    -9.474    -9.488    -0.014     -4.84
+   H+              7.045e-04   6.825e-04    -3.152    -3.166    -0.014      0.00
+   OH-             3.360e-10   3.251e-10    -9.474    -9.488    -0.014     -4.84
    H2O             5.551e+01   9.842e-01     1.744    -0.007     0.000     18.38
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -95.851   -95.851     0.000     39.06
+C(-4)         1.039e-23
+   CH4             1.039e-23   1.039e-23   -22.983   -22.983     0.000     39.06
 C(4)          9.802e-01
    CO2             8.807e-01   8.808e-01    -0.055    -0.055     0.000     36.87
    (CO2)2          4.936e-02   4.937e-02    -1.307    -1.307     0.000     73.73
-   HCO3-           7.046e-04   6.820e-04    -3.152    -3.166    -0.014     25.62
-   CO3-2           9.591e-11   8.415e-11   -10.018   -10.075    -0.057     -3.30
-H(0)          2.697e-32
-   H2              1.348e-32   1.349e-32   -31.870   -31.870     0.000     28.52
-O(0)          2.362e-15
-   O2              1.181e-15   1.181e-15   -14.928   -14.928     0.000     32.67
+   HCO3-           7.045e-04   6.819e-04    -3.152    -3.166    -0.014     25.70
+   CO3-2           9.612e-11   8.434e-11   -10.017   -10.074    -0.057     -3.78
+H(0)          4.444e-14
+   H2              2.222e-14   2.222e-14   -13.653   -13.653     0.000     28.52
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -51.362   -51.362     0.000     32.67
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 116 atm)
 
-  CH4(g)          -92.77    -95.85   -3.08  CH4
+  CH4(g)          -19.90    -22.98   -3.08  CH4
   CO2(g)            1.88     -0.06   -1.94  CO2	 Pressure 115.4 atm, phi 0.662
-  H2(g)           -28.69    -31.87   -3.18  H2
+  H2(g)           -10.47    -13.65   -3.18  H2
   H2O(g)           -0.40     -0.01    0.39  H2O	 Pressure   1.0 atm, phi 0.383
-  O2(g)           -11.77    -14.93   -3.16  O2
+  O2(g)           -48.21    -51.36   -3.16  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6417,13 +6406,13 @@ H2O(g)             0.07   1.170e+00  0.344   6.365e-02   7.477e-02   1.111e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.157      Charge balance
-                                       pe  =  11.159      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 441
+                                       pe  =   2.153      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 419
                           Density (g/cm³)  =   0.98799
                                Volume (L)  =   1.05600
-                        Viscosity (mPa s)  =   0.38103
+                        Viscosity (mPa s)  =   0.38095
                         Activity of water  =   0.984
-                 Ionic strength (mol/kgw)  =   7.198e-04
+                 Ionic strength (mol/kgw)  =   7.197e-04
                        Mass of water (kg)  =   9.986e-01
                  Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.016e+00
@@ -6440,30 +6429,30 @@ H2O(g)             0.07   1.170e+00  0.344   6.365e-02   7.477e-02   1.111e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.198e-04   6.971e-04    -3.143    -3.157    -0.014      0.00
-   OH-             3.316e-10   3.206e-10    -9.479    -9.494    -0.015     -4.87
+   H+              7.197e-04   6.970e-04    -3.143    -3.157    -0.014      0.00
+   OH-             3.316e-10   3.207e-10    -9.479    -9.494    -0.015     -4.87
    H2O             5.551e+01   9.836e-01     1.744    -0.007     0.000     18.38
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -96.431   -96.431     0.000     39.06
+C(-4)         4.141e-25
+   CH4             4.141e-25   4.141e-25   -24.383   -24.383     0.000     39.06
 C(4)          1.016e+00
    CO2             9.101e-01   9.102e-01    -0.041    -0.041     0.000     36.85
    (CO2)2          5.270e-02   5.271e-02    -1.278    -1.278     0.000     73.70
-   HCO3-           7.198e-04   6.965e-04    -3.143    -3.157    -0.014     25.64
-   CO3-2           9.693e-11   8.495e-11   -10.014   -10.071    -0.057     -3.19
-H(0)          1.903e-32
-   H2              9.513e-33   9.515e-33   -32.022   -32.022     0.000     28.52
-O(0)          4.655e-15
-   O2              2.328e-15   2.328e-15   -14.633   -14.633     0.000     32.64
+   HCO3-           7.197e-04   6.963e-04    -3.143    -3.157    -0.014     25.74
+   CO3-2           9.718e-11   8.517e-11   -10.012   -10.070    -0.057     -3.68
+H(0)          1.956e-14
+   H2              9.781e-15   9.783e-15   -14.010   -14.010     0.000     28.52
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -50.657   -50.657     0.000     32.64
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 126 atm)
 
-  CH4(g)          -93.34    -96.43   -3.09  CH4
+  CH4(g)          -21.30    -24.38   -3.09  CH4
   CO2(g)            1.90     -0.04   -1.94  CO2	 Pressure 124.9 atm, phi 0.640
-  H2(g)           -28.83    -32.02   -3.19  H2
+  H2(g)           -10.82    -14.01   -3.19  H2
   H2O(g)           -0.40     -0.01    0.39  H2O	 Pressure   1.2 atm, phi 0.344
-  O2(g)           -11.47    -14.63   -3.16  O2
+  O2(g)           -47.50    -50.66   -3.16  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6512,13 +6501,13 @@ H2O(g)             0.12   1.308e+00  0.310   7.477e-02   8.703e-02   1.226e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.149      Charge balance
-                                       pe  =  11.245      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 449
+                                       pe  =   2.246      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 426
                           Density (g/cm³)  =   0.98864
                                Volume (L)  =   1.05647
-                        Viscosity (mPa s)  =   0.38130
+                        Viscosity (mPa s)  =   0.38121
                         Activity of water  =   0.983
-                 Ionic strength (mol/kgw)  =   7.335e-04
+                 Ionic strength (mol/kgw)  =   7.333e-04
                        Mass of water (kg)  =   9.984e-01
                  Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.048e+00
@@ -6535,30 +6524,30 @@ H2O(g)             0.12   1.308e+00  0.310   7.477e-02   8.703e-02   1.226e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.335e-04   7.102e-04    -3.135    -3.149    -0.014      0.00
-   OH-             3.280e-10   3.171e-10    -9.484    -9.499    -0.015     -4.90
+   H+              7.333e-04   7.100e-04    -3.135    -3.149    -0.014      0.00
+   OH-             3.281e-10   3.172e-10    -9.484    -9.499    -0.015     -4.90
    H2O             5.551e+01   9.831e-01     1.744    -0.007     0.000     18.37
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -97.045   -97.045     0.000     39.06
+C(-4)         8.872e-26
+   CH4             8.872e-26   8.874e-26   -25.052   -25.052     0.000     39.06
 C(4)          1.048e+00
    CO2             9.357e-01   9.358e-01    -0.029    -0.029     0.000     36.83
    (CO2)2          5.571e-02   5.572e-02    -1.254    -1.254     0.000     73.66
-   HCO3-           7.335e-04   7.095e-04    -3.135    -3.149    -0.014     25.67
-   CO3-2           9.796e-11   8.575e-11   -10.009   -10.067    -0.058     -3.08
-H(0)          1.318e-32
-   H2              6.592e-33   6.593e-33   -32.181   -32.181     0.000     28.51
-O(0)          9.514e-15
-   O2              4.757e-15   4.758e-15   -14.323   -14.323     0.000     32.62
+   HCO3-           7.333e-04   7.093e-04    -3.135    -3.149    -0.014     25.78
+   CO3-2           9.824e-11   8.600e-11   -10.008   -10.065    -0.058     -3.59
+H(0)          1.313e-14
+   H2              6.565e-15   6.566e-15   -14.183   -14.183     0.000     28.51
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -50.319   -50.319     0.000     32.62
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 136 atm)
 
-  CH4(g)          -93.95    -97.04   -3.09  CH4
+  CH4(g)          -21.96    -25.05   -3.09  CH4
   CO2(g)            1.92     -0.03   -1.95  CO2	 Pressure 134.5 atm, phi 0.618
-  H2(g)           -28.99    -32.18   -3.19  H2
+  H2(g)           -10.99    -14.18   -3.19  H2
   H2O(g)           -0.39     -0.01    0.39  H2O	 Pressure   1.3 atm, phi 0.310
-  O2(g)           -11.16    -14.32   -3.16  O2
+  O2(g)           -47.15    -50.32   -3.16  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6607,21 +6596,21 @@ H2O(g)             0.17   1.463e+00  0.278   8.703e-02   1.004e-01   1.338e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.141      Charge balance
-                                       pe  =   2.150      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 457
+                                       pe  =   2.060      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 433
                           Density (g/cm³)  =   0.98930
                                Volume (L)  =   1.05681
-                        Viscosity (mPa s)  =   0.38157
+                        Viscosity (mPa s)  =   0.38149
                         Activity of water  =   0.983
-                 Ionic strength (mol/kgw)  =   7.465e-04
+                 Ionic strength (mol/kgw)  =   7.462e-04
                        Mass of water (kg)  =   9.982e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.077e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 146.06
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  32
+                               Iterations  =  22
                                   Total H  = 1.108116e+02
                                   Total O  = 5.755578e+01
 
@@ -6630,30 +6619,30 @@ H2O(g)             0.17   1.463e+00  0.278   8.703e-02   1.004e-01   1.338e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.465e-04   7.226e-04    -3.127    -3.141    -0.014      0.00
-   OH-             3.251e-10   3.142e-10    -9.488    -9.503    -0.015     -4.94
+   H+              7.462e-04   7.224e-04    -3.127    -3.141    -0.014      0.00
+   OH-             3.252e-10   3.143e-10    -9.488    -9.503    -0.015     -4.94
    H2O             5.551e+01   9.827e-01     1.744    -0.008     0.000     18.36
-C(-4)         6.055e-25
-   CH4             6.055e-25   6.057e-25   -24.218   -24.218     0.000     39.05
+C(-4)         3.179e-24
+   CH4             3.179e-24   3.180e-24   -23.498   -23.498     0.000     39.05
 C(4)          1.077e+00
    CO2             9.591e-01   9.592e-01    -0.018    -0.018     0.000     36.81
    (CO2)2          5.854e-02   5.855e-02    -1.233    -1.232     0.000     73.63
-   HCO3-           7.465e-04   7.219e-04    -3.127    -3.142    -0.015     25.69
-   CO3-2           9.903e-11   8.660e-11   -10.004   -10.063    -0.058     -2.97
-H(0)          2.095e-14
-   H2              1.047e-14   1.048e-14   -13.980   -13.980     0.000     28.51
+   HCO3-           7.462e-04   7.216e-04    -3.127    -3.142    -0.015     25.82
+   CO3-2           9.935e-11   8.688e-11   -10.003   -10.061    -0.058     -3.49
+H(0)          3.171e-14
+   H2              1.585e-14   1.586e-14   -13.800   -13.800     0.000     28.51
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.733   -50.733     0.000     32.59
+   O2              0.000e+00   0.000e+00   -51.093   -51.093     0.000     32.59
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 146 atm)
 
-  CH4(g)          -21.12    -24.22   -3.10  CH4
+  CH4(g)          -20.40    -23.50   -3.10  CH4
   CO2(g)            1.94     -0.02   -1.95  CO2	 Pressure 144.6 atm, phi 0.598
-  H2(g)           -10.78    -13.98   -3.20  H2
+  H2(g)           -10.60    -13.80   -3.20  H2
   H2O(g)           -0.39     -0.01    0.38  H2O	 Pressure   1.5 atm, phi 0.278
-  O2(g)           -47.56    -50.73   -3.17  O2
+  O2(g)           -47.92    -51.09   -3.17  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6702,15 +6691,15 @@ H2O(g)             0.21   1.640e+00  0.250   1.004e-01   1.149e-01   1.446e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.134      Charge balance
-                                       pe  =   2.173      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 465
+                                       pe  =   1.950      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 440
                           Density (g/cm³)  =   0.98999
                                Volume (L)  =   1.05704
-                        Viscosity (mPa s)  =   0.38188
+                        Viscosity (mPa s)  =   0.38179
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   7.595e-04
+                 Ionic strength (mol/kgw)  =   7.592e-04
                        Mass of water (kg)  =   9.979e-01
-                 Total alkalinity (eq/kg)  =   1.219e-09
+                 Total alkalinity (eq/kg)  =   1.220e-09
                        Total CO2 (mol/kg)  =   1.105e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 157.24
@@ -6725,30 +6714,30 @@ H2O(g)             0.21   1.640e+00  0.250   1.004e-01   1.149e-01   1.446e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.595e-04   7.350e-04    -3.119    -3.134    -0.014      0.00
-   OH-             3.225e-10   3.116e-10    -9.491    -9.506    -0.015     -4.97
+   H+              7.591e-04   7.347e-04    -3.120    -3.134    -0.014      0.00
+   OH-             3.226e-10   3.117e-10    -9.491    -9.506    -0.015     -4.97
    H2O             5.551e+01   9.822e-01     1.744    -0.008     0.000     18.35
-C(-4)         4.549e-25
-   CH4             4.549e-25   4.549e-25   -24.342   -24.342     0.000     39.05
+C(-4)         2.777e-23
+   CH4             2.777e-23   2.777e-23   -22.556   -22.556     0.000     39.05
 C(4)          1.105e+00
    CO2             9.817e-01   9.818e-01    -0.008    -0.008     0.000     36.79
    (CO2)2          6.132e-02   6.133e-02    -1.212    -1.212     0.000     73.59
-   HCO3-           7.595e-04   7.342e-04    -3.119    -3.134    -0.015     25.72
-   CO3-2           1.002e-10   8.752e-11    -9.999   -10.058    -0.059     -2.84
-H(0)          1.924e-14
-   H2              9.621e-15   9.623e-15   -14.017   -14.017     0.000     28.50
+   HCO3-           7.592e-04   7.339e-04    -3.120    -3.134    -0.015     25.87
+   CO3-2           1.006e-10   8.786e-11    -9.998   -10.056    -0.059     -3.38
+H(0)          5.378e-14
+   H2              2.689e-14   2.690e-14   -13.570   -13.570     0.000     28.50
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.669   -50.669     0.000     32.56
+   O2              0.000e+00   0.000e+00   -51.562   -51.562     0.000     32.56
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 157 atm)
 
-  CH4(g)          -21.24    -24.34   -3.11  CH4
+  CH4(g)          -19.45    -22.56   -3.11  CH4
   CO2(g)            1.95     -0.01   -1.96  CO2	 Pressure 155.6 atm, phi 0.577
-  H2(g)           -10.82    -14.02   -3.20  H2
+  H2(g)           -10.37    -13.57   -3.20  H2
   H2O(g)           -0.39     -0.01    0.38  H2O	 Pressure   1.6 atm, phi 0.250
-  O2(g)           -47.49    -50.67   -3.18  O2
+  O2(g)           -48.39    -51.56   -3.18  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6797,53 +6786,53 @@ H2O(g)             0.27   1.845e+00  0.224   1.149e-01   1.303e-01   1.547e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.126      Charge balance
-                                       pe  =   2.127      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 472
+                                       pe  =   1.990      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 447
                           Density (g/cm³)  =   0.99075
                                Volume (L)  =   1.05719
-                        Viscosity (mPa s)  =   0.38222
+                        Viscosity (mPa s)  =   0.38213
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   7.730e-04
+                 Ionic strength (mol/kgw)  =   7.726e-04
                        Mass of water (kg)  =   9.976e-01
-                 Total alkalinity (eq/kg)  =   1.219e-09
+                 Total alkalinity (eq/kg)  =   1.220e-09
                        Total CO2 (mol/kg)  =   1.133e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 169.89
-                  Electrical balance (eq)  =  -1.216e-09
+                  Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  24
                                   Total H  = 1.107517e+02
-                                  Total O  = 5.763696e+01
+                                  Total O  = 5.763695e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.730e-04   7.479e-04    -3.112    -3.126    -0.014      0.00
-   OH-             3.202e-10   3.093e-10    -9.495    -9.510    -0.015     -5.01
+   H+              7.726e-04   7.475e-04    -3.112    -3.126    -0.014      0.00
+   OH-             3.204e-10   3.095e-10    -9.494    -9.509    -0.015     -5.01
    H2O             5.551e+01   9.818e-01     1.744    -0.008     0.000     18.34
-C(-4)         1.231e-24
-   CH4             1.231e-24   1.231e-24   -23.910   -23.910     0.000     39.05
+C(-4)         1.540e-23
+   CH4             1.540e-23   1.540e-23   -22.812   -22.812     0.000     39.05
 C(4)          1.133e+00
    CO2             1.004e+00   1.004e+00     0.002     0.002     0.000     36.77
    (CO2)2          6.416e-02   6.417e-02    -1.193    -1.193     0.000     73.54
-   HCO3-           7.730e-04   7.471e-04    -3.112    -3.127    -0.015     25.75
-   CO3-2           1.015e-10   8.858e-11    -9.994   -10.053    -0.059     -2.70
-H(0)          2.433e-14
-   H2              1.217e-14   1.217e-14   -13.915   -13.915     0.000     28.50
+   HCO3-           7.726e-04   7.468e-04    -3.112    -3.127    -0.015     25.92
+   CO3-2           1.019e-10   8.896e-11    -9.992   -10.051    -0.059     -3.26
+H(0)          4.576e-14
+   H2              2.288e-14   2.288e-14   -13.641   -13.640     0.000     28.50
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.883   -50.883     0.000     32.53
+   O2              0.000e+00   0.000e+00   -51.432   -51.432     0.000     32.53
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 170 atm)
 
-  CH4(g)          -20.80    -23.91   -3.11  CH4
+  CH4(g)          -19.70    -22.81   -3.11  CH4
   CO2(g)            1.97      0.00   -1.97  CO2	 Pressure 168.0 atm, phi 0.555
-  H2(g)           -10.71    -13.91   -3.21  H2
+  H2(g)           -10.43    -13.64   -3.21  H2
   H2O(g)           -0.38     -0.01    0.38  H2O	 Pressure   1.8 atm, phi 0.224
-  O2(g)           -47.70    -50.88   -3.18  O2
+  O2(g)           -48.25    -51.43   -3.18  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -6893,12 +6882,12 @@ H2O(g)             0.32   2.085e+00  0.200   1.303e-01   1.467e-01   1.639e-02
 
                                        pH  =   3.118      Charge balance
                                        pe  =   2.109      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 481
+      Specific Conductance (µS/cm,  75°C)  = 454
                           Density (g/cm³)  =   0.99159
                                Volume (L)  =   1.05726
-                        Viscosity (mPa s)  =   0.38262
+                        Viscosity (mPa s)  =   0.38252
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   7.876e-04
+                 Ionic strength (mol/kgw)  =   7.871e-04
                        Mass of water (kg)  =   9.973e-01
                  Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.162e+00
@@ -6915,20 +6904,20 @@ H2O(g)             0.32   2.085e+00  0.200   1.303e-01   1.467e-01   1.639e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.876e-04   7.619e-04    -3.104    -3.118    -0.014      0.00
-   OH-             3.182e-10   3.072e-10    -9.497    -9.513    -0.015     -5.05
+   H+              7.871e-04   7.614e-04    -3.104    -3.118    -0.014      0.00
+   OH-             3.184e-10   3.074e-10    -9.497    -9.512    -0.015     -5.05
    H2O             5.551e+01   9.814e-01     1.744    -0.008     0.000     18.33
-C(-4)         1.999e-24
-   CH4             1.999e-24   1.999e-24   -23.699   -23.699     0.000     39.05
+C(-4)         1.984e-24
+   CH4             1.984e-24   1.984e-24   -23.703   -23.702     0.000     39.05
 C(4)          1.162e+00
    CO2             1.027e+00   1.027e+00     0.012     0.012     0.000     36.75
    (CO2)2          6.714e-02   6.716e-02    -1.173    -1.173     0.000     73.49
-   HCO3-           7.876e-04   7.611e-04    -3.104    -3.119    -0.015     25.78
-   CO3-2           1.030e-10   8.981e-11    -9.987   -10.047    -0.060     -2.54
-H(0)          2.704e-14
-   H2              1.352e-14   1.352e-14   -13.869   -13.869     0.000     28.49
+   HCO3-           7.871e-04   7.606e-04    -3.104    -3.119    -0.015     25.99
+   CO3-2           1.035e-10   9.026e-11    -9.985   -10.045    -0.060     -3.12
+H(0)          2.699e-14
+   H2              1.350e-14   1.350e-14   -13.870   -13.870     0.000     28.49
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.987   -50.987     0.000     32.49
+   O2              0.000e+00   0.000e+00   -50.986   -50.986     0.000     32.49
 
 ------------------------------Saturation indices-------------------------------
 
@@ -6986,22 +6975,22 @@ H2O(g)             0.37   2.368e+00  0.178   1.467e-01   1.639e-01   1.719e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.109      Charge balance
-                                       pe  =   2.165      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 490
+                                       pH  =   3.110      Charge balance
+                                       pe  =   2.181      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 462
                           Density (g/cm³)  =   0.99256
                                Volume (L)  =   1.05726
-                        Viscosity (mPa s)  =   0.38309
+                        Viscosity (mPa s)  =   0.38298
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   8.038e-04
+                 Ionic strength (mol/kgw)  =   8.031e-04
                        Mass of water (kg)  =   9.970e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.193e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 201.89
-                  Electrical balance (eq)  =  -1.211e-09
+                  Electrical balance (eq)  =  -1.213e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  29
+                               Iterations  =  30
                                   Total H  = 1.106846e+02
                                   Total O  = 5.772096e+01
 
@@ -7010,30 +6999,30 @@ H2O(g)             0.37   2.368e+00  0.178   1.467e-01   1.639e-01   1.719e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.038e-04   7.773e-04    -3.095    -3.109    -0.015      0.00
-   OH-             3.163e-10   3.054e-10    -9.500    -9.515    -0.015     -5.11
+   H+              8.031e-04   7.766e-04    -3.095    -3.110    -0.015      0.00
+   OH-             3.166e-10   3.056e-10    -9.499    -9.515    -0.015     -5.11
    H2O             5.551e+01   9.809e-01     1.744    -0.008     0.000     18.32
-C(-4)         8.347e-25
-   CH4             8.347e-25   8.349e-25   -24.078   -24.078     0.000     39.04
+C(-4)         6.179e-25
+   CH4             6.179e-25   6.180e-25   -24.209   -24.209     0.000     39.04
 C(4)          1.193e+00
    CO2             1.051e+00   1.052e+00     0.022     0.022     0.000     36.72
    (CO2)2          7.034e-02   7.035e-02    -1.153    -1.153     0.000     73.43
-   HCO3-           8.038e-04   7.764e-04    -3.095    -3.110    -0.015     25.82
-   CO3-2           1.048e-10   9.127e-11    -9.980   -10.040    -0.060     -2.36
-H(0)          2.137e-14
-   H2              1.068e-14   1.069e-14   -13.971   -13.971     0.000     28.49
+   HCO3-           8.031e-04   7.758e-04    -3.095    -3.110    -0.015     26.06
+   CO3-2           1.054e-10   9.180e-11    -9.977   -10.037    -0.060     -2.95
+H(0)          1.982e-14
+   H2              9.909e-15   9.911e-15   -14.004   -14.004     0.000     28.49
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.797   -50.797     0.000     32.45
+   O2              0.000e+00   0.000e+00   -50.731   -50.731     0.000     32.45
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 202 atm)
 
-  CH4(g)          -20.95    -24.08   -3.13  CH4
+  CH4(g)          -21.08    -24.21   -3.13  CH4
   CO2(g)            2.01      0.02   -1.99  CO2	 Pressure 199.5 atm, phi 0.510
-  H2(g)           -10.75    -13.97   -3.22  H2
+  H2(g)           -10.78    -14.00   -3.22  H2
   H2O(g)           -0.38     -0.01    0.37  H2O	 Pressure   2.4 atm, phi 0.178
-  O2(g)           -47.60    -50.80   -3.20  O2
+  O2(g)           -47.53    -50.73   -3.20  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7082,19 +7071,19 @@ H2O(g)             0.43   2.704e+00  0.158   1.639e-01   1.818e-01   1.784e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.100      Charge balance
-                                       pe  =   2.388      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 500
+                                       pe  =   2.157      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 472
                           Density (g/cm³)  =   0.99369
                                Volume (L)  =   1.05716
-                        Viscosity (mPa s)  =   0.38364
+                        Viscosity (mPa s)  =   0.38353
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   8.219e-04
+                 Ionic strength (mol/kgw)  =   8.210e-04
                        Mass of water (kg)  =   9.967e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.226e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 222.54
-                  Electrical balance (eq)  =  -1.211e-09
+                  Electrical balance (eq)  =  -1.212e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  52
                                   Total H  = 1.106489e+02
@@ -7105,30 +7094,30 @@ H2O(g)             0.43   2.704e+00  0.158   1.639e-01   1.818e-01   1.784e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.219e-04   7.945e-04    -3.085    -3.100    -0.015      0.00
-   OH-             3.148e-10   3.038e-10    -9.502    -9.517    -0.015     -5.17
+   H+              8.210e-04   7.937e-04    -3.086    -3.100    -0.015      0.00
+   OH-             3.151e-10   3.041e-10    -9.502    -9.517    -0.015     -5.17
    H2O             5.551e+01   9.804e-01     1.744    -0.009     0.000     18.30
-C(-4)         1.620e-26
-   CH4             1.620e-26   1.620e-26   -25.791   -25.790     0.000     39.04
+C(-4)         1.149e-24
+   CH4             1.149e-24   1.149e-24   -23.940   -23.940     0.000     39.04
 C(4)          1.226e+00
    CO2             1.077e+00   1.077e+00     0.032     0.032     0.000     36.68
    (CO2)2          7.382e-02   7.383e-02    -1.132    -1.132     0.000     73.37
-   HCO3-           8.219e-04   7.937e-04    -3.085    -3.100    -0.015     25.87
-   CO3-2           1.070e-10   9.302e-11    -9.971   -10.031    -0.061     -2.14
-H(0)          7.819e-15
-   H2              3.909e-15   3.910e-15   -14.408   -14.408     0.000     28.48
+   HCO3-           8.210e-04   7.928e-04    -3.086    -3.101    -0.015     26.14
+   CO3-2           1.077e-10   9.367e-11    -9.968   -10.028    -0.061     -2.76
+H(0)          2.269e-14
+   H2              1.134e-14   1.135e-14   -13.945   -13.945     0.000     28.48
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -49.940   -49.940     0.000     32.40
+   O2              0.000e+00   0.000e+00   -50.866   -50.866     0.000     32.40
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 223 atm)
 
-  CH4(g)          -22.65    -25.79   -3.14  CH4
+  CH4(g)          -20.80    -23.94   -3.14  CH4
   CO2(g)            2.03      0.03   -2.00  CO2	 Pressure 219.8 atm, phi 0.487
-  H2(g)           -11.18    -14.41   -3.23  H2
+  H2(g)           -10.72    -13.95   -3.23  H2
   H2O(g)           -0.37     -0.01    0.36  H2O	 Pressure   2.7 atm, phi 0.158
-  O2(g)           -46.73    -49.94   -3.21  O2
+  O2(g)           -47.66    -50.87   -3.21  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7176,22 +7165,22 @@ H2O(g)             0.49   3.103e+00  0.140   1.818e-01   2.001e-01   1.830e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.089      Charge balance
-                                       pe  =   2.277      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 512
+                                       pH  =   3.090      Charge balance
+                                       pe  =   2.124      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 482
                           Density (g/cm³)  =   0.99500
                                Volume (L)  =   1.05696
-                        Viscosity (mPa s)  =   0.38431
+                        Viscosity (mPa s)  =   0.38420
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   8.425e-04
+                 Ionic strength (mol/kgw)  =   8.413e-04
                        Mass of water (kg)  =   9.964e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.261e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 247.32
-                  Electrical balance (eq)  =  -1.211e-09
+                  Electrical balance (eq)  =  -1.212e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  59
+                               Iterations  =  60
                                   Total H  = 1.106123e+02
                                   Total O  = 5.781815e+01
 
@@ -7200,30 +7189,30 @@ H2O(g)             0.49   3.103e+00  0.140   1.818e-01   2.001e-01   1.830e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.425e-04   8.142e-04    -3.074    -3.089    -0.015      0.00
-   OH-             3.136e-10   3.025e-10    -9.504    -9.519    -0.016     -5.24
+   H+              8.413e-04   8.131e-04    -3.075    -3.090    -0.015      0.00
+   OH-             3.140e-10   3.030e-10    -9.503    -9.519    -0.016     -5.24
    H2O             5.551e+01   9.799e-01     1.744    -0.009     0.000     18.28
-C(-4)         1.512e-25
-   CH4             1.512e-25   1.512e-25   -24.820   -24.820     0.000     39.03
+C(-4)         2.508e-24
+   CH4             2.508e-24   2.509e-24   -23.601   -23.601     0.000     39.03
 C(4)          1.261e+00
    CO2             1.104e+00   1.105e+00     0.043     0.043     0.000     36.64
    (CO2)2          7.762e-02   7.764e-02    -1.110    -1.110     0.000     73.28
-   HCO3-           8.425e-04   8.133e-04    -3.074    -3.090    -0.015     25.93
-   CO3-2           1.096e-10   9.514e-11    -9.960   -10.022    -0.061     -1.88
-H(0)          1.336e-14
-   H2              6.679e-15   6.681e-15   -14.175   -14.175     0.000     28.47
+   HCO3-           8.413e-04   8.122e-04    -3.075    -3.090    -0.015     26.24
+   CO3-2           1.105e-10   9.594e-11    -9.957   -10.018    -0.061     -2.53
+H(0)          2.696e-14
+   H2              1.348e-14   1.348e-14   -13.870   -13.870     0.000     28.47
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.426   -50.426     0.000     32.34
+   O2              0.000e+00   0.000e+00   -51.036   -51.036     0.000     32.34
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 247 atm)
 
-  CH4(g)          -21.66    -24.82   -3.16  CH4
+  CH4(g)          -20.44    -23.60   -3.16  CH4
   CO2(g)            2.05      0.04   -2.01  CO2	 Pressure 244.2 atm, phi 0.464
-  H2(g)           -10.94    -14.18   -3.24  H2
+  H2(g)           -10.63    -13.87   -3.24  H2
   H2O(g)           -0.36     -0.01    0.35  H2O	 Pressure   3.1 atm, phi 0.140
-  O2(g)           -47.21    -50.43   -3.22  O2
+  O2(g)           -47.82    -51.04   -3.22  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7271,20 +7260,20 @@ H2O(g)             0.55   3.579e+00  0.123   2.001e-01   2.186e-01   1.854e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.077      Charge balance
-                                       pe  =   2.243      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 525
+                                       pH  =   3.078      Charge balance
+                                       pe  =   2.151      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 495
                           Density (g/cm³)  =   0.99654
                                Volume (L)  =   1.05664
-                        Viscosity (mPa s)  =   0.38512
+                        Viscosity (mPa s)  =   0.38499
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   8.662e-04
+                 Ionic strength (mol/kgw)  =   8.646e-04
                        Mass of water (kg)  =   9.960e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.298e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 277.14
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.212e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  67
                                   Total H  = 1.105752e+02
@@ -7295,30 +7284,30 @@ H2O(g)             0.55   3.579e+00  0.123   2.001e-01   2.186e-01   1.854e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.662e-04   8.368e-04    -3.062    -3.077    -0.015      0.00
-   OH-             3.129e-10   3.017e-10    -9.505    -9.520    -0.016     -5.33
+   H+              8.646e-04   8.353e-04    -3.063    -3.078    -0.015      0.00
+   OH-             3.134e-10   3.023e-10    -9.504    -9.520    -0.016     -5.33
    H2O             5.551e+01   9.793e-01     1.744    -0.009     0.000     18.26
-C(-4)         3.510e-25
-   CH4             3.510e-25   3.510e-25   -24.455   -24.455     0.000     39.03
+C(-4)         1.866e-24
+   CH4             1.866e-24   1.866e-24   -23.729   -23.729     0.000     39.03
 C(4)          1.298e+00
    CO2             1.134e+00   1.134e+00     0.055     0.055     0.000     36.59
    (CO2)2          8.181e-02   8.183e-02    -1.087    -1.087     0.000     73.19
-   HCO3-           8.662e-04   8.358e-04    -3.062    -3.078    -0.016     25.99
-   CO3-2           1.127e-10   9.771e-11    -9.948   -10.010    -0.062     -1.57
-H(0)          1.606e-14
-   H2              8.030e-15   8.032e-15   -14.095   -14.095     0.000     28.45
+   HCO3-           8.646e-04   8.343e-04    -3.063    -3.079    -0.015     26.36
+   CO3-2           1.139e-10   9.872e-11    -9.944   -10.006    -0.062     -2.26
+H(0)          2.439e-14
+   H2              1.219e-14   1.220e-14   -13.914   -13.914     0.000     28.45
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.610   -50.610     0.000     32.27
+   O2              0.000e+00   0.000e+00   -50.973   -50.973     0.000     32.27
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 277 atm)
 
-  CH4(g)          -21.28    -24.45   -3.18  CH4
+  CH4(g)          -20.55    -23.73   -3.18  CH4
   CO2(g)            2.08      0.05   -2.03  CO2	 Pressure 273.6 atm, phi 0.441
-  H2(g)           -10.84    -14.10   -3.25  H2
+  H2(g)           -10.66    -13.91   -3.25  H2
   H2O(g)           -0.36     -0.01    0.35  H2O	 Pressure   3.6 atm, phi 0.123
-  O2(g)           -47.38    -50.61   -3.23  O2
+  O2(g)           -47.74    -50.97   -3.23  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7366,22 +7355,22 @@ H2O(g)             0.62   4.146e+00  0.109   2.186e-01   2.371e-01   1.851e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.064      Charge balance
-                                       pe  =   2.155      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 541
+                                       pH  =   3.065      Charge balance
+                                       pe  =   2.230      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 509
                           Density (g/cm³)  =   0.99835
                                Volume (L)  =   1.05616
-                        Viscosity (mPa s)  =   0.38609
+                        Viscosity (mPa s)  =   0.38595
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   8.935e-04
+                 Ionic strength (mol/kgw)  =   8.914e-04
                        Mass of water (kg)  =   9.957e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.339e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 313.08
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.212e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  75
+                               Iterations  =  76
                                   Total H  = 1.105382e+02
                                   Total O  = 5.793600e+01
 
@@ -7390,30 +7379,30 @@ H2O(g)             0.62   4.146e+00  0.109   2.186e-01   2.371e-01   1.851e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.935e-04   8.628e-04    -3.049    -3.064    -0.015      0.00
-   OH-             3.128e-10   3.015e-10    -9.505    -9.521    -0.016     -5.43
+   H+              8.914e-04   8.608e-04    -3.050    -3.065    -0.015      0.00
+   OH-             3.135e-10   3.022e-10    -9.504    -9.520    -0.016     -5.43
    H2O             5.551e+01   9.787e-01     1.744    -0.009     0.000     18.23
-C(-4)         2.221e-24
-   CH4             2.221e-24   2.221e-24   -23.654   -23.653     0.000     39.02
+C(-4)         5.452e-25
+   CH4             5.452e-25   5.453e-25   -24.263   -24.263     0.000     39.02
 C(4)          1.339e+00
    CO2             1.165e+00   1.166e+00     0.066     0.067     0.000     36.53
    (CO2)2          8.643e-02   8.645e-02    -1.063    -1.063     0.000     73.07
-   HCO3-           8.935e-04   8.618e-04    -3.049    -3.065    -0.016     26.07
-   CO3-2           1.165e-10   1.008e-10    -9.934    -9.996    -0.063     -1.21
-H(0)          2.471e-14
-   H2              1.235e-14   1.236e-14   -13.908   -13.908     0.000     28.44
+   HCO3-           8.914e-04   8.598e-04    -3.050    -3.066    -0.016     26.50
+   CO3-2           1.180e-10   1.021e-10    -9.928    -9.991    -0.063     -1.94
+H(0)          1.739e-14
+   H2              8.695e-15   8.697e-15   -14.061   -14.061     0.000     28.44
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -51.013   -51.013     0.000     32.18
+   O2              0.000e+00   0.000e+00   -50.708   -50.708     0.000     32.18
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 313 atm)
 
-  CH4(g)          -20.46    -23.65   -3.20  CH4
+  CH4(g)          -21.07    -24.26   -3.20  CH4
   CO2(g)            2.11      0.07   -2.05  CO2	 Pressure 308.9 atm, phi 0.420
-  H2(g)           -10.64    -13.91   -3.27  H2
+  H2(g)           -10.79    -14.06   -3.27  H2
   H2O(g)           -0.35     -0.01    0.34  H2O	 Pressure   4.1 atm, phi 0.109
-  O2(g)           -47.76    -51.01   -3.25  O2
+  O2(g)           -47.46    -50.71   -3.25  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7461,60 +7450,67 @@ H2O(g)             0.68   4.819e+00  0.096   2.371e-01   2.553e-01   1.819e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.049      Charge balance
-                                       pe  =   2.101      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 558
+                                       pH  =   3.050      Charge balance
+                                       pe  =   2.295      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 525
                           Density (g/cm³)  =   1.00048
                                Volume (L)  =   1.05549
-                        Viscosity (mPa s)  =   0.38726
+                        Viscosity (mPa s)  =   0.38711
                         Activity of water  =   0.978
-                 Ionic strength (mol/kgw)  =   9.254e-04
+                 Ionic strength (mol/kgw)  =   9.224e-04
                        Mass of water (kg)  =   9.954e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.383e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 356.38
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.212e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  84
+                               Iterations  =  86
                                   Total H  = 1.105018e+02
-                                  Total O  = 5.800455e+01
+                                  Total O  = 5.800454e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.254e-04   8.931e-04    -3.034    -3.049    -0.015      0.00
-   OH-             3.135e-10   3.020e-10    -9.504    -9.520    -0.016     -5.54
+   H+              9.224e-04   8.903e-04    -3.035    -3.050    -0.015      0.00
+   OH-             3.144e-10   3.029e-10    -9.502    -9.519    -0.016     -5.54
    H2O             5.551e+01   9.780e-01     1.744    -0.010     0.000     18.20
-C(-4)         7.616e-24
-   CH4             7.616e-24   7.618e-24   -23.118   -23.118     0.000     39.01
+C(-4)         2.089e-25
+   CH4             2.089e-25   2.090e-25   -24.680   -24.680     0.000     39.01
 C(4)          1.383e+00
    CO2             1.199e+00   1.199e+00     0.079     0.079     0.000     36.47
    (CO2)2          9.152e-02   9.154e-02    -1.038    -1.038     0.000     72.93
-   HCO3-           9.254e-04   8.920e-04    -3.034    -3.050    -0.016     26.16
-   CO3-2           1.212e-10   1.047e-10    -9.916    -9.980    -0.064     -0.79
-H(0)          3.244e-14
-   H2              1.622e-14   1.622e-14   -13.790   -13.790     0.000     28.42
+   HCO3-           9.224e-04   8.892e-04    -3.035    -3.051    -0.016     26.67
+   CO3-2           1.231e-10   1.064e-10    -9.910    -9.973    -0.064     -1.57
+H(0)          1.320e-14
+   H2              6.602e-15   6.603e-15   -14.180   -14.180     0.000     28.42
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -51.285   -51.285     0.000     32.08
+   O2              0.000e+00   0.000e+00   -50.504   -50.504     0.000     32.08
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 356 atm)
 
-  CH4(g)          -19.89    -23.12   -3.22  CH4
+  CH4(g)          -21.46    -24.68   -3.22  CH4
   CO2(g)            2.15      0.08   -2.07  CO2	 Pressure 351.6 atm, phi 0.401
-  H2(g)           -10.50    -13.79   -3.29  H2
+  H2(g)           -10.89    -14.18   -3.29  H2
   H2O(g)           -0.33     -0.01    0.32  H2O	 Pressure   4.8 atm, phi 0.096
-  O2(g)           -48.01    -51.28   -3.27  O2
+  O2(g)           -47.23    -50.50   -3.27  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
 
 Reaction step 22.
 
+WARNING: Numerical method failed, switching to numerical derivatives.
+WARNING: Maximum iterations exceeded, 100
+
+WARNING: Numerical method failed with this set of convergence parameters.
+
+WARNING: Trying smaller step size, pe step size 10, 5 ... 
+
 Using solution 1.	
 Using gas phase 1.	
 Using temperature 3.	
@@ -7556,22 +7552,22 @@ H2O(g)             0.75   5.616e+00  0.085   2.553e-01   2.728e-01   1.752e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.032      Charge balance
-                                       pe  =   2.336      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 578
+                                       pH  =   3.034      Charge balance
+                                       pe  =  12.341      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 544
                           Density (g/cm³)  =   1.00298
                                Volume (L)  =   1.05459
-                        Viscosity (mPa s)  =   0.38867
+                        Viscosity (mPa s)  =   0.38850
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   9.626e-04
+                 Ionic strength (mol/kgw)  =   9.585e-04
                        Mass of water (kg)  =   9.951e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.431e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 408.56
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  95
+                               Iterations  = 122 (223 overall)
                                   Total H  = 1.104668e+02
                                   Total O  = 5.808036e+01
 
@@ -7580,30 +7576,30 @@ H2O(g)             0.75   5.616e+00  0.085   2.553e-01   2.728e-01   1.752e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.626e-04   9.286e-04    -3.017    -3.032    -0.016      0.00
-   OH-             3.153e-10   3.035e-10    -9.501    -9.518    -0.016     -5.68
+   H+              9.585e-04   9.247e-04    -3.018    -3.034    -0.016      0.00
+   OH-             3.166e-10   3.048e-10    -9.500    -9.516    -0.016     -5.68
    H2O             5.551e+01   9.773e-01     1.744    -0.010     0.000     18.16
-C(-4)         1.331e-25
-   CH4             1.331e-25   1.332e-25   -24.876   -24.876     0.000     39.00
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -104.932  -104.932     0.000     39.00
 C(4)          1.431e+00
    CO2             1.235e+00   1.236e+00     0.092     0.092     0.000     36.39
    (CO2)2          9.711e-02   9.713e-02    -1.013    -1.013     0.000     72.77
-   HCO3-           9.626e-04   9.274e-04    -3.017    -3.033    -0.016     26.27
-   CO3-2           1.269e-10   1.093e-10    -9.897    -9.961    -0.065     -0.29
-H(0)          1.131e-14
-   H2              5.657e-15   5.659e-15   -14.247   -14.247     0.000     28.40
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -50.412   -50.412     0.000     31.97
+   HCO3-           9.585e-04   9.235e-04    -3.018    -3.035    -0.016     26.86
+   CO3-2           1.295e-10   1.116e-10    -9.888    -9.952    -0.065     -1.13
+H(0)          1.096e-34
+   H2              5.478e-35   5.479e-35   -34.261   -34.261     0.000     28.40
+O(0)          8.268e-11
+   O2              4.134e-11   4.135e-11   -10.384   -10.384     0.000     31.97
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 409 atm)
 
-  CH4(g)          -21.62    -24.88   -3.25  CH4
+  CH4(g)         -101.68   -104.93   -3.25  CH4
   CO2(g)            2.19      0.09   -2.10  CO2	 Pressure 402.9 atm, phi 0.385
-  H2(g)           -10.94    -14.25   -3.31  H2
+  H2(g)           -30.95    -34.26   -3.31  H2
   H2O(g)           -0.32     -0.01    0.31  H2O	 Pressure   5.6 atm, phi 0.085
-  O2(g)           -47.12    -50.41   -3.30  O2
+  O2(g)            -7.09    -10.38   -3.30  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7658,54 +7654,54 @@ H2O(g)             0.82   6.552e+00  0.076   2.728e-01   2.893e-01   1.646e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.013      Charge balance
-                                       pe  =   2.768      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 602
+                                       pH  =   3.016      Charge balance
+                                       pe  =  12.359      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 567
                           Density (g/cm³)  =   1.00591
                                Volume (L)  =   1.05341
-                        Viscosity (mPa s)  =   0.39037
+                        Viscosity (mPa s)  =   0.39018
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   1.006e-03
+                 Ionic strength (mol/kgw)  =   1.001e-03
                        Mass of water (kg)  =   9.948e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.481e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 471.44
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  = 146 (247 overall)
+                               Iterations  =  35 (136 overall)
                                   Total H  = 1.104339e+02
-                                  Total O  = 5.816399e+01
+                                  Total O  = 5.816398e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.006e-03   9.702e-04    -2.997    -3.013    -0.016      0.00
-   OH-             3.185e-10   3.065e-10    -9.497    -9.514    -0.017     -5.84
+   H+              1.001e-03   9.647e-04    -3.000    -3.016    -0.016      0.00
+   OH-             3.203e-10   3.082e-10    -9.494    -9.511    -0.017     -5.84
    H2O             5.551e+01   9.766e-01     1.744    -0.010     0.000     18.11
-C(-4)         6.275e-29
-   CH4             6.275e-29   6.276e-29   -28.202   -28.202     0.000     38.98
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00  -104.948  -104.948     0.000     38.98
 C(4)          1.481e+00
    CO2             1.274e+00   1.274e+00     0.105     0.105     0.000     36.29
    (CO2)2          1.032e-01   1.033e-01    -0.986    -0.986     0.000     72.58
-   HCO3-           1.006e-03   9.689e-04    -2.997    -3.014    -0.016     26.40
-   CO3-2           1.339e-10   1.150e-10    -9.873    -9.939    -0.066      0.29
-H(0)          1.588e-15
-   H2              7.938e-16   7.940e-16   -15.100   -15.100     0.000     28.38
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -48.756   -48.756     0.000     31.83
+   HCO3-           1.001e-03   9.634e-04    -3.000    -3.016    -0.016     27.09
+   CO3-2           1.374e-10   1.181e-10    -9.862    -9.928    -0.066     -0.62
+H(0)          1.034e-34
+   H2              5.169e-35   5.170e-35   -34.287   -34.286     0.000     28.38
+O(0)          8.270e-11
+   O2              4.135e-11   4.136e-11   -10.384   -10.383     0.000     31.83
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 471 atm)
 
-  CH4(g)          -24.91    -28.20   -3.29  CH4
+  CH4(g)         -101.66   -104.95   -3.29  CH4
   CO2(g)            2.24      0.11   -2.13  CO2	 Pressure 464.9 atm, phi 0.372
-  H2(g)           -11.76    -15.10   -3.34  H2
+  H2(g)           -30.95    -34.29   -3.34  H2
   H2O(g)           -0.30     -0.01    0.29  H2O	 Pressure   6.6 atm, phi 0.076
-  O2(g)           -45.43    -48.76   -3.33  O2
+  O2(g)            -7.06    -10.38   -3.33  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7760,54 +7756,54 @@ H2O(g)             0.88   7.646e+00  0.068   2.893e-01   3.042e-01   1.496e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.992      Charge balance
-                                       pe  =  12.662      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 630
+                                       pH  =   2.995      Charge balance
+                                       pe  =  12.378      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 593
                           Density (g/cm³)  =   1.00936
                                Volume (L)  =   1.05188
-                        Viscosity (mPa s)  =   0.39243
+                        Viscosity (mPa s)  =   0.39221
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   1.058e-03
+                 Ionic strength (mol/kgw)  =   1.050e-03
                        Mass of water (kg)  =   9.945e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.535e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 547.25
-                  Electrical balance (eq)  =  -1.209e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  = 101 (202 overall)
+                               Iterations  =  36 (137 overall)
                                   Total H  = 1.104039e+02
-                                  Total O  = 5.825587e+01
+                                  Total O  = 5.825586e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.058e-03   1.019e-03    -2.975    -2.992    -0.016      0.00
-   OH-             3.238e-10   3.113e-10    -9.490    -9.507    -0.017     -6.01
+   H+              1.050e-03   1.012e-03    -2.979    -2.995    -0.016      0.00
+   OH-             3.262e-10   3.137e-10    -9.486    -9.504    -0.017     -6.01
    H2O             5.551e+01   9.757e-01     1.744    -0.011     0.000     18.05
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -107.213  -107.213     0.000     38.96
+   CH4             0.000e+00   0.000e+00  -104.969  -104.969     0.000     38.96
 C(4)          1.535e+00
    CO2             1.314e+00   1.315e+00     0.119     0.119     0.000     36.18
    (CO2)2          1.099e-01   1.100e-01    -0.959    -0.959     0.000     72.36
-   HCO3-           1.058e-03   1.018e-03    -2.975    -2.992    -0.017     26.54
-   CO3-2           1.425e-10   1.221e-10    -9.846    -9.913    -0.067      0.96
-H(0)          2.649e-35
-   H2              1.325e-35   1.325e-35   -34.878   -34.878     0.000     28.36
-O(0)          1.096e-09
-   O2              5.480e-10   5.482e-10    -9.261    -9.261     0.000     31.68
+   HCO3-           1.050e-03   1.010e-03    -2.979    -2.996    -0.017     27.35
+   CO3-2           1.474e-10   1.263e-10    -9.832    -9.899    -0.067     -0.02
+H(0)          9.645e-35
+   H2              4.822e-35   4.824e-35   -34.317   -34.317     0.000     28.36
+O(0)          8.270e-11
+   O2              4.135e-11   4.136e-11   -10.383   -10.383     0.000     31.68
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 547 atm)
 
-  CH4(g)         -103.88   -107.21   -3.34  CH4
+  CH4(g)         -101.63   -104.97   -3.34  CH4
   CO2(g)            2.29      0.12   -2.17  CO2	 Pressure 539.6 atm, phi 0.364
-  H2(g)           -31.51    -34.88   -3.37  H2
+  H2(g)           -30.95    -34.32   -3.37  H2
   H2O(g)           -0.28     -0.01    0.27  H2O	 Pressure   7.6 atm, phi 0.068
-  O2(g)            -5.90     -9.26   -3.36  O2
+  O2(g)            -7.02    -10.38   -3.36  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7862,54 +7858,54 @@ H2O(g)             0.95   8.913e+00  0.062   3.042e-01   3.172e-01   1.297e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.967      Charge balance
-                                       pe  =  12.685      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 662
+                                       pH  =   2.972      Charge balance
+                                       pe  =  12.400      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 624
                           Density (g/cm³)  =   1.01339
                                Volume (L)  =   1.04992
-                        Viscosity (mPa s)  =   0.39492
+                        Viscosity (mPa s)  =   0.39467
                         Activity of water  =   0.975
-                 Ionic strength (mol/kgw)  =   1.120e-03
+                 Ionic strength (mol/kgw)  =   1.108e-03
                        Mass of water (kg)  =   9.943e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.593e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 638.75
-                  Electrical balance (eq)  =  -1.209e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.103780e+02
-                                  Total O  = 5.835631e+01
+                                  Total O  = 5.835630e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.120e-03   1.078e-03    -2.951    -2.967    -0.017      0.00
-   OH-             3.317e-10   3.186e-10    -9.479    -9.497    -0.018     -6.22
+   H+              1.108e-03   1.067e-03    -2.955    -2.972    -0.016      0.00
+   OH-             3.351e-10   3.220e-10    -9.475    -9.492    -0.017     -6.22
    H2O             5.551e+01   9.749e-01     1.744    -0.011     0.000     17.99
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -107.241  -107.241     0.000     38.94
+   CH4             0.000e+00   0.000e+00  -104.996  -104.996     0.000     38.94
 C(4)          1.593e+00
    CO2             1.357e+00   1.357e+00     0.133     0.133     0.000     36.05
    (CO2)2          1.172e-01   1.173e-01    -0.931    -0.931     0.000     72.11
-   HCO3-           1.120e-03   1.076e-03    -2.951    -2.968    -0.017     26.72
-   CO3-2           1.531e-10   1.307e-10    -9.815    -9.884    -0.069      1.73
-H(0)          2.437e-35
-   H2              1.218e-35   1.219e-35   -34.914   -34.914     0.000     28.33
-O(0)          1.096e-09
-   O2              5.482e-10   5.483e-10    -9.261    -9.261     0.000     31.50
+   HCO3-           1.108e-03   1.065e-03    -2.955    -2.973    -0.017     27.65
+   CO3-2           1.600e-10   1.367e-10    -9.796    -9.864    -0.068      0.66
+H(0)          8.872e-35
+   H2              4.436e-35   4.437e-35   -34.353   -34.353     0.000     28.33
+O(0)          8.272e-11
+   O2              4.136e-11   4.137e-11   -10.383   -10.383     0.000     31.50
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 639 atm)
 
-  CH4(g)         -103.85   -107.24   -3.39  CH4
+  CH4(g)         -101.61   -105.00   -3.39  CH4
   CO2(g)            2.36      0.13   -2.22  CO2	 Pressure 629.8 atm, phi 0.360
-  H2(g)           -31.51    -34.91   -3.41  H2
+  H2(g)           -30.95    -34.35   -3.41  H2
   H2O(g)           -0.26     -0.01    0.25  H2O	 Pressure   8.9 atm, phi 0.062
-  O2(g)            -5.86     -9.26   -3.40  O2
+  O2(g)            -6.98    -10.38   -3.40  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -7964,54 +7960,54 @@ H2O(g)             1.02   1.037e+01  0.057   3.172e-01   3.276e-01   1.043e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.940      Charge balance
-                                       pe  =  12.710      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 700
+                                       pH  =   2.946      Charge balance
+                                       pe  =  12.424      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 660
                           Density (g/cm³)  =   1.01812
                                Volume (L)  =   1.04745
-                        Viscosity (mPa s)  =   0.39795
+                        Viscosity (mPa s)  =   0.39767
                         Activity of water  =   0.974
-                 Ionic strength (mol/kgw)  =   1.194e-03
+                 Ionic strength (mol/kgw)  =   1.177e-03
                        Mass of water (kg)  =   9.941e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.653e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 749.41
-                  Electrical balance (eq)  =  -1.209e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  36 (137 overall)
+                               Iterations  =  33 (134 overall)
                                   Total H  = 1.103572e+02
-                                  Total O  = 5.846545e+01
+                                  Total O  = 5.846543e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.194e-03   1.148e-03    -2.923    -2.940    -0.017      0.00
-   OH-             3.434e-10   3.295e-10    -9.464    -9.482    -0.018     -6.44
+   H+              1.177e-03   1.132e-03    -2.929    -2.946    -0.017      0.00
+   OH-             3.482e-10   3.342e-10    -9.458    -9.476    -0.018     -6.45
    H2O             5.551e+01   9.740e-01     1.744    -0.011     0.000     17.91
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -107.277  -107.277     0.000     38.91
+   CH4             0.000e+00   0.000e+00  -105.032  -105.032     0.000     38.91
 C(4)          1.653e+00
    CO2             1.402e+00   1.402e+00     0.147     0.147     0.000     35.91
    (CO2)2          1.251e-01   1.251e-01    -0.903    -0.903     0.000     71.82
-   HCO3-           1.194e-03   1.147e-03    -2.923    -2.941    -0.018     26.91
-   CO3-2           1.663e-10   1.414e-10    -9.779    -9.849    -0.070      2.61
-H(0)          2.204e-35
-   H2              1.102e-35   1.102e-35   -34.958   -34.958     0.000     28.29
-O(0)          1.097e-09
-   O2              5.483e-10   5.484e-10    -9.261    -9.261     0.000     31.30
+   HCO3-           1.177e-03   1.131e-03    -2.929    -2.947    -0.017     27.99
+   CO3-2           1.762e-10   1.500e-10    -9.754    -9.824    -0.070      1.44
+H(0)          8.024e-35
+   H2              4.012e-35   4.013e-35   -34.397   -34.397     0.000     28.29
+O(0)          8.272e-11
+   O2              4.136e-11   4.137e-11   -10.383   -10.383     0.000     31.30
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 749 atm)
 
-  CH4(g)         -103.82   -107.28   -3.46  CH4
+  CH4(g)         -101.58   -105.03   -3.46  CH4
   CO2(g)            2.43      0.15   -2.28  CO2	 Pressure 739.0 atm, phi 0.363
-  H2(g)           -31.50    -34.96   -3.45  H2
+  H2(g)           -30.94    -34.40   -3.45  H2
   H2O(g)           -0.23     -0.01    0.22  H2O	 Pressure  10.4 atm, phi 0.057
-  O2(g)            -5.81     -9.26   -3.45  O2
+  O2(g)            -6.93    -10.38   -3.45  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8055,7 +8051,7 @@ Total pressure: 883.67      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CO2(g)             2.94   8.716e+02  0.375   2.336e+01   2.429e+01   9.375e-01
+CO2(g)             2.94   8.717e+02  0.375   2.336e+01   2.429e+01   9.375e-01
 H2O(g)             1.08   1.202e+01  0.053   3.276e-01   3.349e-01   7.291e-03
 
 -----------------------------Solution composition------------------------------
@@ -8066,54 +8062,54 @@ H2O(g)             1.08   1.202e+01  0.053   3.276e-01   3.349e-01   7.291e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.909      Charge balance
-                                       pe  =  12.739      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 746
+                                       pH  =   2.917      Charge balance
+                                       pe  =  12.450      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 704
                           Density (g/cm³)  =   1.02365
                                Volume (L)  =   1.04435
-                        Viscosity (mPa s)  =   0.40166
+                        Viscosity (mPa s)  =   0.40132
                         Activity of water  =   0.973
-                 Ionic strength (mol/kgw)  =   1.284e-03
+                 Ionic strength (mol/kgw)  =   1.259e-03
                        Mass of water (kg)  =   9.939e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.716e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 883.67
-                  Electrical balance (eq)  =  -1.209e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  36 (137 overall)
                                   Total H  = 1.103426e+02
-                                  Total O  = 5.858316e+01
+                                  Total O  = 5.858312e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.284e-03   1.234e-03    -2.891    -2.909    -0.017      0.00
-   OH-             3.604e-10   3.454e-10    -9.443    -9.462    -0.018     -6.70
+   H+              1.259e-03   1.210e-03    -2.900    -2.917    -0.017      0.00
+   OH-             3.673e-10   3.521e-10    -9.435    -9.453    -0.018     -6.70
    H2O             5.551e+01   9.731e-01     1.744    -0.012     0.000     17.82
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -107.322  -107.322     0.000     38.88
+   CH4             0.000e+00   0.000e+00  -105.078  -105.077     0.000     38.88
 C(4)          1.716e+00
    CO2             1.448e+00   1.448e+00     0.161     0.161     0.000     35.74
    (CO2)2          1.335e-01   1.335e-01    -0.875    -0.875     0.000     71.48
-   HCO3-           1.284e-03   1.232e-03    -2.891    -2.910    -0.018     27.14
-   CO3-2           1.828e-10   1.548e-10    -9.738    -9.810    -0.072      3.61
-H(0)          1.952e-35
-   H2              9.759e-36   9.762e-36   -35.011   -35.010     0.000     28.26
-O(0)          1.097e-09
-   O2              5.483e-10   5.485e-10    -9.261    -9.261     0.000     31.07
+   HCO3-           1.259e-03   1.208e-03    -2.900    -2.918    -0.018     28.38
+   CO3-2           1.974e-10   1.673e-10    -9.705    -9.776    -0.072      2.33
+H(0)          7.106e-35
+   H2              3.553e-35   3.554e-35   -34.449   -34.449     0.000     28.26
+O(0)          8.273e-11
+   O2              4.137e-11   4.138e-11   -10.383   -10.383     0.000     31.07
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 884 atm)
 
-  CH4(g)         -103.79   -107.32   -3.53  CH4
-  CO2(g)            2.51      0.16   -2.35  CO2	 Pressure 871.6 atm, phi 0.375
-  H2(g)           -31.50    -35.01   -3.51  H2
+  CH4(g)         -101.54   -105.08   -3.53  CH4
+  CO2(g)            2.51      0.16   -2.35  CO2	 Pressure 871.7 atm, phi 0.375
+  H2(g)           -30.94    -34.45   -3.51  H2
   H2O(g)           -0.20     -0.01    0.18  H2O	 Pressure  12.0 atm, phi 0.053
-  O2(g)            -5.75     -9.26   -3.52  O2
+  O2(g)            -6.87    -10.38   -3.52  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8168,54 +8164,54 @@ H2O(g)             1.14   1.386e+01  0.051   3.349e-01   3.384e-01   3.493e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.874      Charge balance
-                                       pe  =  12.772      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  75°C)  = 801
+                                       pH  =   2.885      Charge balance
+                                       pe  =  12.480      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  75°C)  = 756
                           Density (g/cm³)  =   1.03011
                                Volume (L)  =   1.04050
-                        Viscosity (mPa s)  =   0.40620
+                        Viscosity (mPa s)  =   0.40581
                         Activity of water  =   0.972
-                 Ionic strength (mol/kgw)  =   1.394e-03
+                 Ionic strength (mol/kgw)  =   1.357e-03
                        Mass of water (kg)  =   9.939e-01
                  Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.781e+00
                          Temperature (°C)  =  75.00
                            Pressure (atm)  = 1047.32
-                  Electrical balance (eq)  =  -1.210e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  36 (137 overall)
+                               Iterations  =  34 (135 overall)
                                   Total H  = 1.103356e+02
-                                  Total O  = 5.870894e+01
+                                  Total O  = 5.870889e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.394e-03   1.338e-03    -2.856    -2.874    -0.018      0.00
-   OH-             3.850e-10   3.684e-10    -9.415    -9.434    -0.019     -6.98
+   H+              1.357e-03   1.303e-03    -2.867    -2.885    -0.018      0.00
+   OH-             3.950e-10   3.783e-10    -9.403    -9.422    -0.019     -6.98
    H2O             5.551e+01   9.721e-01     1.744    -0.012     0.000     17.72
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -107.381  -107.381     0.000     38.84
+   CH4             0.000e+00   0.000e+00  -105.136  -105.136     0.000     38.84
 C(4)          1.781e+00
    CO2             1.495e+00   1.496e+00     0.175     0.175     0.000     35.55
    (CO2)2          1.423e-01   1.424e-01    -0.847    -0.847     0.000     71.10
-   HCO3-           1.394e-03   1.336e-03    -2.856    -2.874    -0.019     27.39
-   CO3-2           2.036e-10   1.715e-10    -9.691    -9.766    -0.075      4.74
-H(0)          1.684e-35
-   H2              8.422e-36   8.424e-36   -35.075   -35.074     0.000     28.21
-O(0)          1.097e-09
-   O2              5.484e-10   5.486e-10    -9.261    -9.261     0.000     30.82
+   HCO3-           1.357e-03   1.301e-03    -2.867    -2.886    -0.018     28.83
+   CO3-2           2.254e-10   1.903e-10    -9.647    -9.721    -0.074      3.34
+H(0)          6.132e-35
+   H2              3.066e-35   3.067e-35   -34.513   -34.513     0.000     28.21
+O(0)          8.274e-11
+   O2              4.137e-11   4.138e-11   -10.383   -10.383     0.000     30.82
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(348 K, 1047 atm)
 
-  CH4(g)         -103.75   -107.38   -3.63  CH4
+  CH4(g)         -101.50   -105.14   -3.63  CH4
   CO2(g)            2.61      0.17   -2.44  CO2	 Pressure 1033.5 atm, phi 0.398
-  H2(g)           -31.49    -35.07   -3.58  H2
+  H2(g)           -30.93    -34.51   -3.58  H2
   H2O(g)           -0.15     -0.01    0.14  H2O	 Pressure  13.9 atm, phi 0.051
-  O2(g)            -5.67     -9.26   -3.59  O2
+  O2(g)            -6.79    -10.38   -3.59  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8371,11 +8367,11 @@ H2O(g)             0.06   1.139e+00  0.877   3.285e-02   3.984e-02   6.990e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.544      Charge balance
-                                       pe  =   9.307      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 209
+                                       pe  =   9.305      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 206
                           Density (g/cm³)  =   0.96086
                                Volume (L)  =   1.05014
-                        Viscosity (mPa s)  =   0.28235
+                        Viscosity (mPa s)  =   0.28228
                         Activity of water  =   0.996
                  Ionic strength (mol/kgw)  =   2.920e-04
                        Mass of water (kg)  =   9.993e-01
@@ -8398,26 +8394,26 @@ H2O(g)             0.06   1.139e+00  0.877   3.285e-02   3.984e-02   6.990e-03
    OH-             2.101e-09   2.053e-09    -8.678    -8.688    -0.010     -6.03
    H2O             5.551e+01   9.963e-01     1.744    -0.002     0.000     18.78
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -87.998   -87.998     0.000     41.03
+   CH4             0.000e+00   0.000e+00   -87.982   -87.982     0.000     41.03
 C(4)          2.218e-01
    CO2             2.131e-01   2.131e-01    -0.671    -0.671     0.000     38.83
    (CO2)2          4.215e-03   4.215e-03    -2.375    -2.375     0.000     77.65
-   HCO3-           2.920e-04   2.854e-04    -3.535    -3.545    -0.010     24.09
-   CO3-2           7.842e-11   7.157e-11   -10.106   -10.145    -0.040     -7.90
-H(0)          1.512e-29
-   H2              7.558e-30   7.559e-30   -29.122   -29.122     0.000     28.56
-O(0)          3.044e-15
-   O2              1.522e-15   1.522e-15   -14.818   -14.818     0.000     33.82
+   HCO3-           2.920e-04   2.854e-04    -3.535    -3.545    -0.010     23.81
+   CO3-2           7.845e-11   7.159e-11   -10.105   -10.145    -0.040     -8.64
+H(0)          1.525e-29
+   H2              7.627e-30   7.628e-30   -29.118   -29.118     0.000     28.56
+O(0)          2.989e-15
+   O2              1.494e-15   1.494e-15   -14.826   -14.826     0.000     33.82
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K,  23 atm)
 
-  CH4(g)          -84.98    -88.00   -3.02  CH4
+  CH4(g)          -84.96    -87.98   -3.02  CH4
   CO2(g)            1.32     -0.67   -1.99  CO2	 Pressure  22.3 atm, phi 0.939
   H2(g)           -26.01    -29.12   -3.11  H2
   H2O(g)           -0.00     -0.00   -0.00  H2O	 Pressure   1.1 atm, phi 0.877
-  O2(g)           -11.69    -14.82   -3.13  O2
+  O2(g)           -11.70    -14.83   -3.13  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8466,13 +8462,13 @@ H2O(g)             0.11   1.294e+00  0.779   3.984e-02   4.816e-02   8.320e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.416      Charge balance
-                                       pe  =   1.885      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 281
+                                       pe  =   2.060      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 273
                           Density (g/cm³)  =   0.96303
                                Volume (L)  =   1.05598
-                        Viscosity (mPa s)  =   0.28297
+                        Viscosity (mPa s)  =   0.28288
                         Activity of water  =   0.993
-                 Ionic strength (mol/kgw)  =   3.940e-04
+                 Ionic strength (mol/kgw)  =   3.941e-04
                        Mass of water (kg)  =   9.991e-01
                  Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   4.049e-01
@@ -8480,7 +8476,7 @@ H2O(g)             0.11   1.294e+00  0.779   3.984e-02   4.816e-02   8.320e-03
                            Pressure (atm)  = 44.15
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  34
+                               Iterations  =  33
                                   Total H  = 1.109161e+02
                                   Total O  = 5.626718e+01
 
@@ -8489,30 +8485,30 @@ H2O(g)             0.11   1.294e+00  0.779   3.984e-02   4.816e-02   8.320e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              3.940e-04   3.840e-04    -3.404    -3.416    -0.011      0.00
-   OH-             1.590e-09   1.548e-09    -8.799    -8.810    -0.012     -6.11
+   H+              3.941e-04   3.841e-04    -3.404    -3.416    -0.011      0.00
+   OH-             1.589e-09   1.547e-09    -8.799    -8.810    -0.012     -6.11
    H2O             5.551e+01   9.933e-01     1.744    -0.003     0.000     18.76
-C(-4)         4.444e-28
-   CH4             4.444e-28   4.444e-28   -27.352   -27.352     0.000     41.01
+C(-4)         1.776e-29
+   CH4             1.776e-29   1.776e-29   -28.751   -28.751     0.000     41.01
 C(4)          4.049e-01
    CO2             3.780e-01   3.780e-01    -0.423    -0.422     0.000     38.77
    (CO2)2          1.326e-02   1.326e-02    -1.877    -1.877     0.000     77.53
-   HCO3-           3.940e-04   3.838e-04    -3.404    -3.416    -0.011     24.18
-   CO3-2           8.124e-11   7.310e-11   -10.090   -10.136    -0.046     -7.58
-H(0)          1.872e-14
-   H2              9.362e-15   9.363e-15   -14.029   -14.029     0.000     28.55
+   HCO3-           3.941e-04   3.838e-04    -3.404    -3.416    -0.011     23.93
+   CO3-2           8.130e-11   7.316e-11   -10.090   -10.136    -0.046     -8.35
+H(0)          8.372e-15
+   H2              4.186e-15   4.186e-15   -14.378   -14.378     0.000     28.55
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.022   -45.022     0.000     33.76
+   O2              0.000e+00   0.000e+00   -44.323   -44.323     0.000     33.76
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K,  44 atm)
 
-  CH4(g)          -24.32    -27.35   -3.03  CH4
+  CH4(g)          -25.72    -28.75   -3.03  CH4
   CO2(g)            1.58     -0.42   -2.00  CO2	 Pressure  42.9 atm, phi 0.888
-  H2(g)           -10.91    -14.03   -3.12  H2
+  H2(g)           -11.26    -14.38   -3.12  H2
   H2O(g)            0.00     -0.00   -0.01  H2O	 Pressure   1.3 atm, phi 0.779
-  O2(g)           -41.89    -45.02   -3.14  O2
+  O2(g)           -41.19    -44.32   -3.14  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8561,21 +8557,21 @@ H2O(g)             0.17   1.465e+00  0.695   4.816e-02   5.795e-02   9.787e-03
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.348      Charge balance
-                                       pe  =   1.949      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 328
+                                       pe  =   9.623      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 316
                           Density (g/cm³)  =   0.96489
                                Volume (L)  =   1.06054
-                        Viscosity (mPa s)  =   0.28353
+                        Viscosity (mPa s)  =   0.28342
                         Activity of water  =   0.991
-                 Ionic strength (mol/kgw)  =   4.609e-04
+                 Ionic strength (mol/kgw)  =   4.610e-04
                        Mass of water (kg)  =   9.989e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   5.538e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 63.31
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  28
+                               Iterations  =  31
                                   Total H  = 1.108965e+02
                                   Total O  = 5.655464e+01
 
@@ -8584,30 +8580,30 @@ H2O(g)             0.17   1.465e+00  0.695   4.816e-02   5.795e-02   9.787e-03
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              4.609e-04   4.483e-04    -3.336    -3.348    -0.012      0.00
-   OH-             1.383e-09   1.343e-09    -8.859    -8.872    -0.013     -6.19
+   H+              4.610e-04   4.484e-04    -3.336    -3.348    -0.012      0.00
+   OH-             1.382e-09   1.343e-09    -8.859    -8.872    -0.013     -6.19
    H2O             5.551e+01   9.910e-01     1.744    -0.004     0.000     18.74
-C(-4)         6.246e-28
-   CH4             6.246e-28   6.246e-28   -27.204   -27.204     0.000     40.98
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00   -88.598   -88.598     0.000     40.98
 C(4)          5.538e-01
    CO2             5.058e-01   5.059e-01    -0.296    -0.296     0.000     38.71
    (CO2)2          2.375e-02   2.375e-02    -1.624    -1.624     0.000     77.42
-   HCO3-           4.609e-04   4.480e-04    -3.336    -3.349    -0.012     24.25
-   CO3-2           8.350e-11   7.453e-11   -10.078   -10.128    -0.049     -7.29
-H(0)          1.871e-14
-   H2              9.357e-15   9.358e-15   -14.029   -14.029     0.000     28.54
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.038   -45.038     0.000     33.69
+   HCO3-           4.610e-04   4.481e-04    -3.336    -3.349    -0.012     24.05
+   CO3-2           8.360e-11   7.462e-11   -10.078   -10.127    -0.049     -8.10
+H(0)          8.388e-30
+   H2              4.194e-30   4.195e-30   -29.377   -29.377     0.000     28.54
+O(0)          9.122e-15
+   O2              4.561e-15   4.562e-15   -14.341   -14.341     0.000     33.69
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K,  63 atm)
 
-  CH4(g)          -24.16    -27.20   -3.04  CH4
+  CH4(g)          -85.56    -88.60   -3.04  CH4
   CO2(g)            1.72     -0.30   -2.01  CO2	 Pressure  61.8 atm, phi 0.844
-  H2(g)           -10.90    -14.03   -3.13  H2
+  H2(g)           -26.25    -29.38   -3.13  H2
   H2O(g)            0.01     -0.00   -0.01  H2O	 Pressure   1.5 atm, phi 0.695
-  O2(g)           -41.89    -45.04   -3.14  O2
+  O2(g)           -11.20    -14.34   -3.14  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8656,21 +8652,21 @@ H2O(g)             0.22   1.653e+00  0.621   5.795e-02   6.931e-02   1.136e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.306      Charge balance
-                                       pe  =   2.091      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 362
+                                       pe  =   9.528      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 346
                           Density (g/cm³)  =   0.96649
                                Volume (L)  =   1.06404
-                        Viscosity (mPa s)  =   0.28404
+                        Viscosity (mPa s)  =   0.28391
                         Activity of water  =   0.989
-                 Ionic strength (mol/kgw)  =   5.092e-04
+                 Ionic strength (mol/kgw)  =   5.093e-04
                        Mass of water (kg)  =   9.987e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   6.740e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 81.00
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  26
+                               Iterations  =  27
                                   Total H  = 1.108738e+02
                                   Total O  = 5.678324e+01
 
@@ -8679,30 +8675,30 @@ H2O(g)             0.22   1.653e+00  0.621   5.795e-02   6.931e-02   1.136e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.092e-04   4.947e-04    -3.293    -3.306    -0.013      0.00
+   H+              5.093e-04   4.948e-04    -3.293    -3.306    -0.013      0.00
    OH-             1.271e-09   1.233e-09    -8.896    -8.909    -0.013     -6.27
    H2O             5.551e+01   9.891e-01     1.744    -0.005     0.000     18.72
-C(-4)         1.164e-28
-   CH4             1.164e-28   1.164e-28   -27.934   -27.934     0.000     40.96
+C(-4)         0.000e+00
+   CH4             0.000e+00   0.000e+00   -87.422   -87.422     0.000     40.96
 C(4)          6.740e-01
    CO2             6.055e-01   6.055e-01    -0.218    -0.218     0.000     38.66
    (CO2)2          3.402e-02   3.403e-02    -1.468    -1.468     0.000     77.32
-   HCO3-           5.092e-04   4.943e-04    -3.293    -3.306    -0.013     24.32
-   CO3-2           8.545e-11   7.586e-11   -10.068   -10.120    -0.052     -7.04
-H(0)          1.162e-14
-   H2              5.810e-15   5.811e-15   -14.236   -14.236     0.000     28.53
-O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -44.639   -44.639     0.000     33.64
+   HCO3-           5.093e-04   4.944e-04    -3.293    -3.306    -0.013     24.15
+   CO3-2           8.560e-11   7.599e-11   -10.068   -10.119    -0.052     -7.87
+H(0)          1.560e-29
+   H2              7.802e-30   7.803e-30   -29.108   -29.108     0.000     28.53
+O(0)          2.547e-15
+   O2              1.274e-15   1.274e-15   -14.895   -14.895     0.000     33.64
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K,  81 atm)
 
-  CH4(g)          -24.88    -27.93   -3.05  CH4
+  CH4(g)          -84.37    -87.42   -3.05  CH4
   CO2(g)            1.81     -0.22   -2.02  CO2	 Pressure  79.3 atm, phi 0.805
-  H2(g)           -11.10    -14.24   -3.13  H2
+  H2(g)           -25.97    -29.11   -3.13  H2
   H2O(g)            0.01     -0.00   -0.02  H2O	 Pressure   1.7 atm, phi 0.621
-  O2(g)           -41.49    -44.64   -3.15  O2
+  O2(g)           -11.74    -14.89   -3.15  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8751,21 +8747,21 @@ H2O(g)             0.27   1.859e+00  0.557   6.931e-02   8.231e-02   1.301e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.276      Charge balance
-                                       pe  =   2.195      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 387
+                                       pe  =   2.016      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 369
                           Density (g/cm³)  =   0.96788
                                Volume (L)  =   1.06668
-                        Viscosity (mPa s)  =   0.28451
+                        Viscosity (mPa s)  =   0.28436
                         Activity of water  =   0.988
-                 Ionic strength (mol/kgw)  =   5.461e-04
+                 Ionic strength (mol/kgw)  =   5.462e-04
                        Mass of water (kg)  =   9.985e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   7.714e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 97.41
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  25
+                               Iterations  =  31
                                   Total H  = 1.108478e+02
                                   Total O  = 5.696443e+01
 
@@ -8774,30 +8770,30 @@ H2O(g)             0.27   1.859e+00  0.557   6.931e-02   8.231e-02   1.301e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.461e-04   5.300e-04    -3.263    -3.276    -0.013      0.00
+   H+              5.462e-04   5.301e-04    -3.263    -3.276    -0.013      0.00
    OH-             1.202e-09   1.165e-09    -8.920    -8.934    -0.014     -6.33
    H2O             5.551e+01   9.876e-01     1.744    -0.005     0.000     18.71
-C(-4)         3.337e-29
-   CH4             3.337e-29   3.338e-29   -28.477   -28.477     0.000     40.94
+C(-4)         8.959e-28
+   CH4             8.959e-28   8.960e-28   -27.048   -27.048     0.000     40.94
 C(4)          7.714e-01
    CO2             6.840e-01   6.841e-01    -0.165    -0.165     0.000     38.62
    (CO2)2          4.343e-02   4.343e-02    -1.362    -1.362     0.000     77.23
-   HCO3-           5.461e-04   5.295e-04    -3.263    -3.276    -0.013     24.38
-   CO3-2           8.718e-11   7.710e-11   -10.060   -10.113    -0.053     -6.80
-H(0)          8.159e-15
-   H2              4.079e-15   4.080e-15   -14.389   -14.389     0.000     28.52
+   HCO3-           5.462e-04   5.296e-04    -3.263    -3.276    -0.013     24.24
+   CO3-2           8.739e-11   7.727e-11   -10.059   -10.112    -0.053     -7.66
+H(0)          1.857e-14
+   H2              9.286e-15   9.287e-15   -14.032   -14.032     0.000     28.52
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -44.345   -44.345     0.000     33.58
+   O2              0.000e+00   0.000e+00   -45.060   -45.060     0.000     33.58
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K,  97 atm)
 
-  CH4(g)          -25.42    -28.48   -3.06  CH4
+  CH4(g)          -23.99    -27.05   -3.06  CH4
   CO2(g)            1.87     -0.16   -2.03  CO2	 Pressure  95.5 atm, phi 0.771
-  H2(g)           -11.25    -14.39   -3.14  H2
+  H2(g)           -10.89    -14.03   -3.14  H2
   H2O(g)            0.02     -0.01   -0.02  H2O	 Pressure   1.9 atm, phi 0.557
-  O2(g)           -41.18    -44.35   -3.16  O2
+  O2(g)           -41.90    -45.06   -3.16  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8846,53 +8842,53 @@ H2O(g)             0.32   2.085e+00  0.501   8.231e-02   9.701e-02   1.470e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.253      Charge balance
-                                       pe  =   2.035      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 408
+                                       pe  =   1.941      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 386
                           Density (g/cm³)  =   0.96910
                                Volume (L)  =   1.06867
-                        Viscosity (mPa s)  =   0.28494
+                        Viscosity (mPa s)  =   0.28479
                         Activity of water  =   0.986
-                 Ionic strength (mol/kgw)  =   5.754e-04
+                 Ionic strength (mol/kgw)  =   5.755e-04
                        Mass of water (kg)  =   9.982e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   8.512e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 112.79
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  24
                                   Total H  = 1.108184e+02
-                                  Total O  = 5.710869e+01
+                                  Total O  = 5.710870e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.754e-04   5.580e-04    -3.240    -3.253    -0.013      0.00
+   H+              5.755e-04   5.581e-04    -3.240    -3.253    -0.013      0.00
    OH-             1.155e-09   1.119e-09    -8.937    -8.951    -0.014     -6.40
    H2O             5.551e+01   9.864e-01     1.744    -0.006     0.000     18.70
-C(-4)         1.028e-27
-   CH4             1.028e-27   1.028e-27   -26.988   -26.988     0.000     40.93
+C(-4)         5.827e-27
+   CH4             5.827e-27   5.827e-27   -26.235   -26.235     0.000     40.93
 C(4)          8.512e-01
    CO2             7.471e-01   7.471e-01    -0.127    -0.127     0.000     38.57
    (CO2)2          5.180e-02   5.181e-02    -1.286    -1.286     0.000     77.15
-   HCO3-           5.754e-04   5.575e-04    -3.240    -3.254    -0.014     24.43
-   CO3-2           8.877e-11   7.826e-11   -10.052   -10.106    -0.055     -6.59
-H(0)          1.862e-14
-   H2              9.308e-15   9.309e-15   -14.031   -14.031     0.000     28.52
+   HCO3-           5.755e-04   5.576e-04    -3.240    -3.254    -0.014     24.33
+   CO3-2           8.902e-11   7.849e-11   -10.050   -10.105    -0.055     -7.47
+H(0)          2.872e-14
+   H2              1.436e-14   1.436e-14   -13.843   -13.843     0.000     28.52
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.075   -45.075     0.000     33.54
+   O2              0.000e+00   0.000e+00   -45.451   -45.451     0.000     33.54
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 113 atm)
 
-  CH4(g)          -23.92    -26.99   -3.07  CH4
+  CH4(g)          -23.17    -26.23   -3.07  CH4
   CO2(g)            1.91     -0.13   -2.04  CO2	 Pressure 110.7 atm, phi 0.741
-  H2(g)           -10.89    -14.03   -3.15  H2
+  H2(g)           -10.70    -13.84   -3.15  H2
   H2O(g)            0.02     -0.01   -0.02  H2O	 Pressure   2.1 atm, phi 0.501
-  O2(g)           -41.91    -45.07   -3.17  O2
+  O2(g)           -42.28    -45.45   -3.17  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -8941,21 +8937,21 @@ H2O(g)             0.37   2.333e+00  0.451   9.701e-02   1.134e-01   1.641e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.236      Charge balance
-                                       pe  =   2.091      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 424
+                                       pe  =   1.889      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 400
                           Density (g/cm³)  =   0.97021
                                Volume (L)  =   1.07015
-                        Viscosity (mPa s)  =   0.28535
+                        Viscosity (mPa s)  =   0.28519
                         Activity of water  =   0.985
-                 Ionic strength (mol/kgw)  =   5.996e-04
+                 Ionic strength (mol/kgw)  =   5.997e-04
                        Mass of water (kg)  =   9.979e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   9.180e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 127.46
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  23
+                               Iterations  =  24
                                   Total H  = 1.107856e+02
                                   Total O  = 5.722497e+01
 
@@ -8964,30 +8960,30 @@ H2O(g)             0.37   2.333e+00  0.451   9.701e-02   1.134e-01   1.641e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.996e-04   5.812e-04    -3.222    -3.236    -0.014      0.00
-   OH-             1.123e-09   1.087e-09    -8.950    -8.964    -0.014     -6.46
+   H+              5.997e-04   5.813e-04    -3.222    -3.236    -0.014      0.00
+   OH-             1.122e-09   1.086e-09    -8.950    -8.964    -0.014     -6.46
    H2O             5.551e+01   9.854e-01     1.744    -0.006     0.000     18.68
-C(-4)         5.296e-28
-   CH4             5.296e-28   5.297e-28   -27.276   -27.276     0.000     40.91
+C(-4)         2.189e-26
+   CH4             2.189e-26   2.190e-26   -25.660   -25.660     0.000     40.91
 C(4)          9.180e-01
    CO2             7.989e-01   7.990e-01    -0.098    -0.097     0.000     38.53
    (CO2)2          5.924e-02   5.925e-02    -1.227    -1.227     0.000     77.07
-   HCO3-           5.996e-04   5.807e-04    -3.222    -3.236    -0.014     24.48
-   CO3-2           9.025e-11   7.938e-11   -10.045   -10.100    -0.056     -6.38
-H(0)          1.536e-14
-   H2              7.682e-15   7.683e-15   -14.115   -14.114     0.000     28.51
+   HCO3-           5.997e-04   5.807e-04    -3.222    -3.236    -0.014     24.41
+   CO3-2           9.057e-11   7.966e-11   -10.043   -10.099    -0.056     -7.29
+H(0)          3.896e-14
+   H2              1.948e-14   1.948e-14   -13.710   -13.710     0.000     28.51
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -44.920   -44.920     0.000     33.49
+   O2              0.000e+00   0.000e+00   -45.728   -45.728     0.000     33.49
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 127 atm)
 
-  CH4(g)          -24.20    -27.28   -3.08  CH4
+  CH4(g)          -22.58    -25.66   -3.08  CH4
   CO2(g)            1.95     -0.10   -2.05  CO2	 Pressure 125.1 atm, phi 0.714
-  H2(g)           -10.96    -14.11   -3.15  H2
+  H2(g)           -10.56    -13.71   -3.15  H2
   H2O(g)            0.02     -0.01   -0.03  H2O	 Pressure   2.3 atm, phi 0.451
-  O2(g)           -41.75    -44.92   -3.17  O2
+  O2(g)           -42.55    -45.73   -3.17  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9036,21 +9032,21 @@ H2O(g)             0.42   2.605e+00  0.407   1.134e-01   1.315e-01   1.811e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.221      Charge balance
-                                       pe  =   2.134      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 438
+                                       pe  =   1.824      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 413
                           Density (g/cm³)  =   0.97124
                                Volume (L)  =   1.07126
-                        Viscosity (mPa s)  =   0.28575
+                        Viscosity (mPa s)  =   0.28558
                         Activity of water  =   0.985
-                 Ionic strength (mol/kgw)  =   6.204e-04
+                 Ionic strength (mol/kgw)  =   6.205e-04
                        Mass of water (kg)  =   9.976e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   9.752e-01
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 141.77
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  23
+                               Iterations  =  24
                                   Total H  = 1.107494e+02
                                   Total O  = 5.732053e+01
 
@@ -9059,30 +9055,30 @@ H2O(g)             0.42   2.605e+00  0.407   1.134e-01   1.315e-01   1.811e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.204e-04   6.011e-04    -3.207    -3.221    -0.014      0.00
+   H+              6.205e-04   6.012e-04    -3.207    -3.221    -0.014      0.00
    OH-             1.098e-09   1.062e-09    -8.959    -8.974    -0.014     -6.51
    H2O             5.551e+01   9.845e-01     1.744    -0.007     0.000     18.67
-C(-4)         3.275e-28
-   CH4             3.275e-28   3.275e-28   -27.485   -27.485     0.000     40.89
+C(-4)         9.904e-26
+   CH4             9.904e-26   9.905e-26   -25.004   -25.004     0.000     40.89
 C(4)          9.752e-01
    CO2             8.428e-01   8.429e-01    -0.074    -0.074     0.000     38.49
    (CO2)2          6.592e-02   6.593e-02    -1.181    -1.181     0.000     76.99
-   HCO3-           6.204e-04   6.006e-04    -3.207    -3.221    -0.014     24.53
-   CO3-2           9.168e-11   8.048e-11   -10.038   -10.094    -0.057     -6.19
-H(0)          1.332e-14
-   H2              6.661e-15   6.662e-15   -14.176   -14.176     0.000     28.50
+   HCO3-           6.205e-04   6.006e-04    -3.207    -3.221    -0.014     24.49
+   CO3-2           9.206e-11   8.081e-11   -10.036   -10.093    -0.057     -7.11
+H(0)          5.556e-14
+   H2              2.778e-14   2.778e-14   -13.556   -13.556     0.000     28.50
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -44.807   -44.807     0.000     33.45
+   O2              0.000e+00   0.000e+00   -46.048   -46.048     0.000     33.45
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 142 atm)
 
-  CH4(g)          -24.40    -27.48   -3.09  CH4
+  CH4(g)          -21.92    -25.00   -3.09  CH4
   CO2(g)            1.98     -0.07   -2.06  CO2	 Pressure 139.2 atm, phi 0.689
-  H2(g)           -11.02    -14.18   -3.16  H2
+  H2(g)           -10.40    -13.56   -3.16  H2
   H2O(g)            0.03     -0.01   -0.03  H2O	 Pressure   2.6 atm, phi 0.407
-  O2(g)           -41.63    -44.81   -3.18  O2
+  O2(g)           -42.87    -46.05   -3.18  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9131,19 +9127,19 @@ H2O(g)             0.46   2.906e+00  0.368   1.315e-01   1.513e-01   1.977e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.208      Charge balance
-                                       pe  =   1.940      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 451
+                                       pe  =   1.845      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 423
                           Density (g/cm³)  =   0.97222
                                Volume (L)  =   1.07208
-                        Viscosity (mPa s)  =   0.28615
+                        Viscosity (mPa s)  =   0.28597
                         Activity of water  =   0.984
-                 Ionic strength (mol/kgw)  =   6.391e-04
+                 Ionic strength (mol/kgw)  =   6.392e-04
                        Mass of water (kg)  =   9.973e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.026e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 156.12
-                  Electrical balance (eq)  =  -1.215e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  24
                                   Total H  = 1.107098e+02
@@ -9154,30 +9150,30 @@ H2O(g)             0.46   2.906e+00  0.368   1.315e-01   1.513e-01   1.977e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.391e-04   6.190e-04    -3.194    -3.208    -0.014      0.00
+   H+              6.392e-04   6.190e-04    -3.194    -3.208    -0.014      0.00
    OH-             1.079e-09   1.043e-09    -8.967    -8.982    -0.015     -6.57
    H2O             5.551e+01   9.838e-01     1.744    -0.007     0.000     18.66
-C(-4)         1.514e-26
-   CH4             1.514e-26   1.514e-26   -25.820   -25.820     0.000     40.88
+C(-4)         8.725e-26
+   CH4             8.725e-26   8.726e-26   -25.059   -25.059     0.000     40.88
 C(4)          1.026e+00
    CO2             8.812e-01   8.812e-01    -0.055    -0.055     0.000     38.46
    (CO2)2          7.207e-02   7.208e-02    -1.142    -1.142     0.000     76.91
-   HCO3-           6.391e-04   6.184e-04    -3.194    -3.209    -0.014     24.58
-   CO3-2           9.310e-11   8.159e-11   -10.031   -10.088    -0.057     -5.99
-H(0)          3.404e-14
-   H2              1.702e-14   1.702e-14   -13.769   -13.769     0.000     28.50
+   HCO3-           6.392e-04   6.184e-04    -3.194    -3.209    -0.014     24.57
+   CO3-2           9.355e-11   8.197e-11   -10.029   -10.086    -0.057     -6.94
+H(0)          5.275e-14
+   H2              2.637e-14   2.638e-14   -13.579   -13.579     0.000     28.50
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.634   -45.634     0.000     33.40
+   O2              0.000e+00   0.000e+00   -46.014   -46.014     0.000     33.40
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 156 atm)
 
-  CH4(g)          -22.73    -25.82   -3.09  CH4
+  CH4(g)          -21.96    -25.06   -3.09  CH4
   CO2(g)            2.01     -0.05   -2.06  CO2	 Pressure 153.2 atm, phi 0.666
-  H2(g)           -10.61    -13.77   -3.16  H2
+  H2(g)           -10.42    -13.58   -3.16  H2
   H2O(g)            0.03     -0.01   -0.04  H2O	 Pressure   2.9 atm, phi 0.368
-  O2(g)           -42.45    -45.63   -3.19  O2
+  O2(g)           -42.83    -46.01   -3.19  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9226,15 +9222,15 @@ H2O(g)             0.51   3.242e+00  0.332   1.513e-01   1.727e-01   2.137e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.197      Charge balance
-                                       pe  =   1.967      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 462
+                                       pe  =   1.796      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 434
                           Density (g/cm³)  =   0.97320
                                Volume (L)  =   1.07268
-                        Viscosity (mPa s)  =   0.28656
+                        Viscosity (mPa s)  =   0.28637
                         Activity of water  =   0.983
                  Ionic strength (mol/kgw)  =   6.566e-04
                        Mass of water (kg)  =   9.969e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.072e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 170.91
@@ -9252,27 +9248,27 @@ H2O(g)             0.51   3.242e+00  0.332   1.513e-01   1.727e-01   2.137e-02
    H+              6.566e-04   6.356e-04    -3.183    -3.197    -0.014      0.00
    OH-             1.063e-09   1.028e-09    -8.973    -8.988    -0.015     -6.63
    H2O             5.551e+01   9.831e-01     1.744    -0.007     0.000     18.64
-C(-4)         1.176e-26
-   CH4             1.176e-26   1.176e-26   -25.930   -25.930     0.000     40.86
+C(-4)         2.742e-25
+   CH4             2.742e-25   2.743e-25   -24.562   -24.562     0.000     40.86
 C(4)          1.072e+00
    CO2             9.159e-01   9.160e-01    -0.038    -0.038     0.000     38.42
    (CO2)2          7.786e-02   7.787e-02    -1.109    -1.109     0.000     76.83
-   HCO3-           6.566e-04   6.350e-04    -3.183    -3.197    -0.015     24.63
-   CO3-2           9.456e-11   8.273e-11   -10.024   -10.082    -0.058     -5.79
-H(0)          3.136e-14
-   H2              1.568e-14   1.568e-14   -13.805   -13.805     0.000     28.49
+   HCO3-           6.566e-04   6.350e-04    -3.183    -3.197    -0.015     24.65
+   CO3-2           9.508e-11   8.318e-11   -10.022   -10.080    -0.058     -6.76
+H(0)          6.891e-14
+   H2              3.446e-14   3.446e-14   -13.463   -13.463     0.000     28.49
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.574   -45.574     0.000     33.36
+   O2              0.000e+00   0.000e+00   -46.258   -46.258     0.000     33.36
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 171 atm)
 
-  CH4(g)          -22.83    -25.93   -3.10  CH4
+  CH4(g)          -21.46    -24.56   -3.10  CH4
   CO2(g)            2.03     -0.04   -2.07  CO2	 Pressure 167.7 atm, phi 0.645
-  H2(g)           -10.64    -13.80   -3.17  H2
+  H2(g)           -10.29    -13.46   -3.17  H2
   H2O(g)            0.03     -0.01   -0.04  H2O	 Pressure   3.2 atm, phi 0.332
-  O2(g)           -42.38    -45.57   -3.20  O2
+  O2(g)           -43.06    -46.26   -3.20  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9321,21 +9317,21 @@ H2O(g)             0.56   3.618e+00  0.300   1.727e-01   1.955e-01   2.287e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.186      Charge balance
-                                       pe  =   1.927      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 474
+                                       pe  =   1.849      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 443
                           Density (g/cm³)  =   0.97420
                                Volume (L)  =   1.07311
-                        Viscosity (mPa s)  =   0.28699
+                        Viscosity (mPa s)  =   0.28679
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   6.735e-04
+                 Ionic strength (mol/kgw)  =   6.734e-04
                        Mass of water (kg)  =   9.965e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.116e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 186.59
-                  Electrical balance (eq)  =  -1.214e-09
+                  Electrical balance (eq)  =  -1.215e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  27
+                               Iterations  =  28
                                   Total H  = 1.106214e+02
                                   Total O  = 5.753479e+01
 
@@ -9344,30 +9340,30 @@ H2O(g)             0.56   3.618e+00  0.300   1.727e-01   1.955e-01   2.287e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.735e-04   6.518e-04    -3.172    -3.186    -0.014      0.00
+   H+              6.734e-04   6.517e-04    -3.172    -3.186    -0.014      0.00
    OH-             1.051e-09   1.015e-09    -8.979    -8.993    -0.015     -6.69
    H2O             5.551e+01   9.824e-01     1.744    -0.008     0.000     18.63
-C(-4)         3.048e-26
-   CH4             3.048e-26   3.049e-26   -25.516   -25.516     0.000     40.84
+C(-4)         1.283e-25
+   CH4             1.283e-25   1.283e-25   -24.892   -24.892     0.000     40.84
 C(4)          1.116e+00
    CO2             9.484e-01   9.485e-01    -0.023    -0.023     0.000     38.38
    (CO2)2          8.348e-02   8.349e-02    -1.078    -1.078     0.000     76.75
-   HCO3-           6.735e-04   6.511e-04    -3.172    -3.186    -0.015     24.69
-   CO3-2           9.609e-11   8.395e-11   -10.017   -10.076    -0.059     -5.58
-H(0)          3.906e-14
-   H2              1.953e-14   1.953e-14   -13.709   -13.709     0.000     28.48
+   HCO3-           6.734e-04   6.511e-04    -3.172    -3.186    -0.015     24.73
+   CO3-2           9.670e-11   8.448e-11   -10.015   -10.073    -0.059     -6.58
+H(0)          5.594e-14
+   H2              2.797e-14   2.798e-14   -13.553   -13.553     0.000     28.48
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.777   -45.777     0.000     33.31
+   O2              0.000e+00   0.000e+00   -46.089   -46.089     0.000     33.31
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 187 atm)
 
-  CH4(g)          -22.40    -25.52   -3.11  CH4
+  CH4(g)          -21.78    -24.89   -3.11  CH4
   CO2(g)            2.06     -0.02   -2.08  CO2	 Pressure 183.0 atm, phi 0.624
-  H2(g)           -10.53    -13.71   -3.18  H2
+  H2(g)           -10.38    -13.55   -3.18  H2
   H2O(g)            0.04     -0.01   -0.04  H2O	 Pressure   3.6 atm, phi 0.300
-  O2(g)           -42.57    -45.78   -3.20  O2
+  O2(g)           -42.89    -46.09   -3.20  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9416,19 +9412,19 @@ H2O(g)             0.61   4.045e+00  0.271   1.955e-01   2.198e-01   2.424e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.175      Charge balance
-                                       pe  =   2.045      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 485
+                                       pe  =   1.832      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 453
                           Density (g/cm³)  =   0.97525
                                Volume (L)  =   1.07339
-                        Viscosity (mPa s)  =   0.28746
+                        Viscosity (mPa s)  =   0.28725
                         Activity of water  =   0.982
-                 Ionic strength (mol/kgw)  =   6.905e-04
+                 Ionic strength (mol/kgw)  =   6.903e-04
                        Mass of water (kg)  =   9.960e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.158e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 203.65
-                  Electrical balance (eq)  =  -1.213e-09
+                  Electrical balance (eq)  =  -1.214e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  29
                                   Total H  = 1.105729e+02
@@ -9439,30 +9435,30 @@ H2O(g)             0.61   4.045e+00  0.271   1.955e-01   2.198e-01   2.424e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              6.905e-04   6.680e-04    -3.161    -3.175    -0.014      0.00
-   OH-             1.040e-09   1.004e-09    -8.983    -8.998    -0.015     -6.75
+   H+              6.903e-04   6.678e-04    -3.161    -3.175    -0.014      0.00
+   OH-             1.040e-09   1.005e-09    -8.983    -8.998    -0.015     -6.75
    H2O             5.551e+01   9.818e-01     1.744    -0.008     0.000     18.62
-C(-4)         4.229e-27
-   CH4             4.229e-27   4.230e-27   -26.374   -26.374     0.000     40.82
+C(-4)         2.155e-25
+   CH4             2.155e-25   2.156e-25   -24.666   -24.666     0.000     40.82
 C(4)          1.158e+00
    CO2             9.797e-01   9.798e-01    -0.009    -0.009     0.000     38.33
    (CO2)2          8.908e-02   8.909e-02    -1.050    -1.050     0.000     76.66
-   HCO3-           6.905e-04   6.673e-04    -3.161    -3.176    -0.015     24.74
-   CO3-2           9.776e-11   8.528e-11   -10.010   -10.069    -0.059     -5.36
-H(0)          2.340e-14
-   H2              1.170e-14   1.170e-14   -13.932   -13.932     0.000     28.48
+   HCO3-           6.903e-04   6.671e-04    -3.161    -3.176    -0.015     24.82
+   CO3-2           9.847e-11   8.590e-11   -10.007   -10.066    -0.059     -6.38
+H(0)          6.252e-14
+   H2              3.126e-14   3.126e-14   -13.505   -13.505     0.000     28.48
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -45.345   -45.345     0.000     33.26
+   O2              0.000e+00   0.000e+00   -46.199   -46.199     0.000     33.26
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 204 atm)
 
-  CH4(g)          -23.25    -26.37   -3.12  CH4
+  CH4(g)          -21.54    -24.67   -3.12  CH4
   CO2(g)            2.08     -0.01   -2.09  CO2	 Pressure 199.6 atm, phi 0.603
-  H2(g)           -10.75    -13.93   -3.18  H2
+  H2(g)           -10.32    -13.50   -3.18  H2
   H2O(g)            0.04     -0.01   -0.05  H2O	 Pressure   4.0 atm, phi 0.271
-  O2(g)           -42.13    -45.35   -3.21  O2
+  O2(g)           -42.99    -46.20   -3.21  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9511,21 +9507,21 @@ H2O(g)             0.66   4.530e+00  0.245   2.198e-01   2.452e-01   2.545e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.165      Charge balance
-                                       pe  =   9.644      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 496
+                                       pe  =   1.850      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 463
                           Density (g/cm³)  =   0.97639
                                Volume (L)  =   1.07355
-                        Viscosity (mPa s)  =   0.28797
+                        Viscosity (mPa s)  =   0.28776
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   7.080e-04
+                 Ionic strength (mol/kgw)  =   7.077e-04
                        Mass of water (kg)  =   9.956e-01
-                 Total alkalinity (eq/kg)  =   1.213e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.201e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 222.60
-                  Electrical balance (eq)  =  -1.208e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  35
+                               Iterations  =  30
                                   Total H  = 1.105220e+02
                                   Total O  = 5.765197e+01
 
@@ -9534,30 +9530,30 @@ H2O(g)             0.66   4.530e+00  0.245   2.198e-01   2.452e-01   2.545e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.080e-04   6.847e-04    -3.150    -3.165    -0.015      0.00
-   OH-             1.031e-09   9.951e-10    -8.987    -9.002    -0.015     -6.83
+   H+              7.077e-04   6.844e-04    -3.150    -3.165    -0.015      0.00
+   OH-             1.031e-09   9.955e-10    -8.987    -9.002    -0.015     -6.83
    H2O             5.551e+01   9.812e-01     1.744    -0.008     0.000     18.60
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -87.076   -87.076     0.000     40.80
+C(-4)         1.890e-25
+   CH4             1.890e-25   1.890e-25   -24.724   -24.724     0.000     40.80
 C(4)          1.201e+00
    CO2             1.011e+00   1.011e+00     0.005     0.005     0.000     38.28
    (CO2)2          9.478e-02   9.480e-02    -1.023    -1.023     0.000     76.56
-   HCO3-           7.080e-04   6.840e-04    -3.150    -3.165    -0.015     24.81
-   CO3-2           9.961e-11   8.677e-11   -10.002   -10.062    -0.060     -5.12
-H(0)          1.532e-29
-   H2              7.659e-30   7.661e-30   -29.116   -29.116     0.000     28.47
-O(0)          2.037e-15
-   O2              1.019e-15   1.019e-15   -14.992   -14.992     0.000     33.21
+   HCO3-           7.077e-04   6.837e-04    -3.150    -3.165    -0.015     24.92
+   CO3-2           1.004e-10   8.750e-11    -9.998   -10.058    -0.060     -6.16
+H(0)          5.932e-14
+   H2              2.966e-14   2.967e-14   -13.528   -13.528     0.000     28.47
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.168   -46.168     0.000     33.21
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 223 atm)
 
-  CH4(g)          -83.94    -87.08   -3.13  CH4
+  CH4(g)          -21.59    -24.72   -3.13  CH4
   CO2(g)            2.10      0.00   -2.10  CO2	 Pressure 218.1 atm, phi 0.583
-  H2(g)           -25.93    -29.12   -3.19  H2
+  H2(g)           -10.34    -13.53   -3.19  H2
   H2O(g)            0.05     -0.01   -0.05  H2O	 Pressure   4.5 atm, phi 0.245
-  O2(g)           -11.77    -14.99   -3.22  O2
+  O2(g)           -42.95    -46.17   -3.22  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9605,22 +9601,22 @@ H2O(g)             0.71   5.087e+00  0.221   2.452e-01   2.717e-01   2.646e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.153      Charge balance
-                                       pe  =   2.372      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 508
+                                       pH  =   3.154      Charge balance
+                                       pe  =   1.840      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 474
                           Density (g/cm³)  =   0.97763
                                Volume (L)  =   1.07359
-                        Viscosity (mPa s)  =   0.28856
+                        Viscosity (mPa s)  =   0.28833
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   7.266e-04
+                 Ionic strength (mol/kgw)  =   7.261e-04
                        Mass of water (kg)  =   9.951e-01
-                 Total alkalinity (eq/kg)  =   1.214e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.244e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 244.02
-                  Electrical balance (eq)  =  -1.208e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  38
+                               Iterations  =  37
                                   Total H  = 1.104690e+02
                                   Total O  = 5.770992e+01
 
@@ -9629,30 +9625,30 @@ H2O(g)             0.71   5.087e+00  0.221   2.452e-01   2.717e-01   2.646e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.266e-04   7.024e-04    -3.139    -3.153    -0.015      0.00
-   OH-             1.023e-09   9.872e-10    -8.990    -9.006    -0.015     -6.91
+   H+              7.261e-04   7.020e-04    -3.139    -3.154    -0.015      0.00
+   OH-             1.024e-09   9.879e-10    -8.990    -9.005    -0.015     -6.91
    H2O             5.551e+01   9.806e-01     1.744    -0.009     0.000     18.58
-C(-4)         1.564e-29
-   CH4             1.564e-29   1.564e-29   -28.806   -28.806     0.000     40.78
+C(-4)         2.769e-25
+   CH4             2.769e-25   2.769e-25   -24.558   -24.558     0.000     40.78
 C(4)          1.244e+00
    CO2             1.042e+00   1.042e+00     0.018     0.018     0.000     38.23
    (CO2)2          1.007e-01   1.007e-01    -0.997    -0.997     0.000     76.46
-   HCO3-           7.266e-04   7.016e-04    -3.139    -3.154    -0.015     24.88
-   CO3-2           1.017e-10   8.846e-11    -9.993   -10.053    -0.061     -4.84
-H(0)          5.542e-15
-   H2              2.771e-15   2.771e-15   -14.557   -14.557     0.000     28.46
+   HCO3-           7.261e-04   7.012e-04    -3.139    -3.154    -0.015     25.03
+   CO3-2           1.027e-10   8.933e-11    -9.988   -10.049    -0.061     -5.92
+H(0)          6.392e-14
+   H2              3.196e-14   3.197e-14   -13.495   -13.495     0.000     28.46
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -44.125   -44.125     0.000     33.15
+   O2              0.000e+00   0.000e+00   -46.249   -46.249     0.000     33.15
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 244 atm)
 
-  CH4(g)          -25.66    -28.81   -3.14  CH4
+  CH4(g)          -21.41    -24.56   -3.14  CH4
   CO2(g)            2.13      0.02   -2.11  CO2	 Pressure 238.9 atm, phi 0.563
-  H2(g)           -11.36    -14.56   -3.20  H2
+  H2(g)           -10.30    -13.50   -3.20  H2
   H2O(g)            0.05     -0.01   -0.06  H2O	 Pressure   5.1 atm, phi 0.221
-  O2(g)           -40.90    -44.13   -3.23  O2
+  O2(g)           -43.02    -46.25   -3.23  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9701,21 +9697,21 @@ H2O(g)             0.76   5.727e+00  0.199   2.717e-01   2.989e-01   2.722e-02
 ----------------------------Description of solution----------------------------
 
                                        pH  =   3.142      Charge balance
-                                       pe  =  10.120      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 521
-                          Density (g/cm³)  =   0.97903
+                                       pe  =   1.755      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 485
+                          Density (g/cm³)  =   0.97902
                                Volume (L)  =   1.07352
-                        Viscosity (mPa s)  =   0.28922
+                        Viscosity (mPa s)  =   0.28899
                         Activity of water  =   0.980
-                 Ionic strength (mol/kgw)  =   7.466e-04
+                 Ionic strength (mol/kgw)  =   7.459e-04
                        Mass of water (kg)  =   9.946e-01
-                 Total alkalinity (eq/kg)  =   1.214e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   1.288e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 268.56
-                  Electrical balance (eq)  =  -1.208e-09
+                  Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  46
+                               Iterations  =  43
                                   Total H  = 1.104146e+02
                                   Total O  = 5.776968e+01
 
@@ -9724,30 +9720,30 @@ H2O(g)             0.76   5.727e+00  0.199   2.717e-01   2.989e-01   2.722e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.466e-04   7.215e-04    -3.127    -3.142    -0.015      0.00
-   OH-             1.017e-09   9.809e-10    -8.993    -9.008    -0.016     -7.00
+   H+              7.459e-04   7.209e-04    -3.127    -3.142    -0.015      0.00
+   OH-             1.018e-09   9.817e-10    -8.992    -9.008    -0.016     -7.00
    H2O             5.551e+01   9.799e-01     1.744    -0.009     0.000     18.56
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.702   -90.702     0.000     40.75
+C(-4)         1.641e-24
+   CH4             1.641e-24   1.641e-24   -23.785   -23.785     0.000     40.75
 C(4)          1.288e+00
    CO2             1.073e+00   1.074e+00     0.031     0.031     0.000     38.17
    (CO2)2          1.070e-01   1.070e-01    -0.971    -0.971     0.000     76.33
-   HCO3-           7.466e-04   7.207e-04    -3.127    -3.142    -0.015     24.95
-   CO3-2           1.041e-10   9.041e-11    -9.983   -10.044    -0.061     -4.53
-H(0)          1.819e-30
-   H2              9.095e-31   9.097e-31   -30.041   -30.041     0.000     28.45
-O(0)          1.332e-13
-   O2              6.659e-14   6.660e-14   -13.177   -13.177     0.000     33.08
+   HCO3-           7.459e-04   7.201e-04    -3.127    -3.143    -0.015     25.15
+   CO3-2           1.053e-10   9.145e-11    -9.978   -10.039    -0.061     -5.65
+H(0)          9.751e-14
+   H2              4.875e-14   4.876e-14   -13.312   -13.312     0.000     28.45
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.635   -46.635     0.000     33.08
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 269 atm)
 
-  CH4(g)          -87.54    -90.70   -3.16  CH4
+  CH4(g)          -20.63    -23.78   -3.16  CH4
   CO2(g)            2.15      0.03   -2.12  CO2	 Pressure 262.8 atm, phi 0.544
-  H2(g)           -26.83    -30.04   -3.21  H2
+  H2(g)           -10.10    -13.31   -3.21  H2
   H2O(g)            0.06     -0.01   -0.07  H2O	 Pressure   5.7 atm, phi 0.199
-  O2(g)            -9.94    -13.18   -3.24  O2
+  O2(g)           -43.39    -46.63   -3.24  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9795,20 +9791,20 @@ H2O(g)             0.81   6.466e+00  0.179   2.989e-01   3.266e-01   2.770e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.129      Charge balance
-                                       pe  =  10.141      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 535
+                                       pH  =   3.130      Charge balance
+                                       pe  =   1.795      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 497
                           Density (g/cm³)  =   0.98059
                                Volume (L)  =   1.07333
-                        Viscosity (mPa s)  =   0.28999
+                        Viscosity (mPa s)  =   0.28974
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   7.685e-04
+                 Ionic strength (mol/kgw)  =   7.676e-04
                        Mass of water (kg)  =   9.941e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.334e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 296.94
-                  Electrical balance (eq)  =  -1.208e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  63
                                   Total H  = 1.103592e+02
@@ -9819,30 +9815,30 @@ H2O(g)             0.81   6.466e+00  0.179   2.989e-01   3.266e-01   2.770e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.685e-04   7.424e-04    -3.114    -3.129    -0.015      0.00
-   OH-             1.012e-09   9.761e-10    -8.995    -9.010    -0.016     -7.10
+   H+              7.676e-04   7.415e-04    -3.115    -3.130    -0.015      0.00
+   OH-             1.013e-09   9.773e-10    -8.994    -9.010    -0.016     -7.10
    H2O             5.551e+01   9.792e-01     1.744    -0.009     0.000     18.54
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.769   -90.769     0.000     40.72
+C(-4)         9.754e-25
+   CH4             9.754e-25   9.756e-25   -24.011   -24.011     0.000     40.72
 C(4)          1.334e+00
    CO2             1.106e+00   1.107e+00     0.044     0.044     0.000     38.10
    (CO2)2          1.136e-01   1.136e-01    -0.945    -0.944     0.000     76.19
-   HCO3-           7.685e-04   7.416e-04    -3.114    -3.130    -0.016     25.04
-   CO3-2           1.069e-10   9.267e-11    -9.971   -10.033    -0.062     -4.18
-H(0)          1.707e-30
-   H2              8.536e-31   8.537e-31   -30.069   -30.069     0.000     28.44
-O(0)          1.439e-13
-   O2              7.193e-14   7.194e-14   -13.143   -13.143     0.000     33.00
+   HCO3-           7.676e-04   7.407e-04    -3.115    -3.130    -0.015     25.29
+   CO3-2           1.084e-10   9.394e-11    -9.965   -10.027    -0.062     -5.34
+H(0)          8.350e-14
+   H2              4.175e-14   4.176e-14   -13.379   -13.379     0.000     28.44
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.522   -46.522     0.000     33.00
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 297 atm)
 
-  CH4(g)          -87.59    -90.77   -3.18  CH4
+  CH4(g)          -20.84    -24.01   -3.18  CH4
   CO2(g)            2.18      0.04   -2.14  CO2	 Pressure 290.5 atm, phi 0.525
-  H2(g)           -26.85    -30.07   -3.22  H2
+  H2(g)           -10.16    -13.38   -3.22  H2
   H2O(g)            0.06     -0.01   -0.07  H2O	 Pressure   6.5 atm, phi 0.179
-  O2(g)            -9.89    -13.14   -3.25  O2
+  O2(g)           -43.27    -46.52   -3.25  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9890,22 +9886,22 @@ H2O(g)             0.86   7.319e+00  0.161   3.266e-01   3.544e-01   2.783e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.116      Charge balance
-                                       pe  =  10.147      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 550
+                                       pH  =   3.117      Charge balance
+                                       pe  =   1.787      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 511
                           Density (g/cm³)  =   0.98238
                                Volume (L)  =   1.07300
-                        Viscosity (mPa s)  =   0.29088
+                        Viscosity (mPa s)  =   0.29062
                         Activity of water  =   0.979
-                 Ionic strength (mol/kgw)  =   7.929e-04
+                 Ionic strength (mol/kgw)  =   7.916e-04
                        Mass of water (kg)  =   9.936e-01
-                 Total alkalinity (eq/kg)  =   1.215e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.383e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 329.97
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  69
+                               Iterations  =  70
                                   Total H  = 1.103035e+02
                                   Total O  = 5.790005e+01
 
@@ -9914,30 +9910,30 @@ H2O(g)             0.86   7.319e+00  0.161   3.266e-01   3.544e-01   2.783e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.929e-04   7.657e-04    -3.101    -3.116    -0.015      0.00
-   OH-             1.010e-09   9.733e-10    -8.996    -9.012    -0.016     -7.21
+   H+              7.916e-04   7.644e-04    -3.101    -3.117    -0.015      0.00
+   OH-             1.011e-09   9.749e-10    -8.995    -9.011    -0.016     -7.21
    H2O             5.551e+01   9.785e-01     1.744    -0.009     0.000     18.51
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.720   -90.720     0.000     40.69
+C(-4)         1.444e-24
+   CH4             1.444e-24   1.444e-24   -23.840   -23.840     0.000     40.69
 C(4)          1.383e+00
    CO2             1.141e+00   1.141e+00     0.057     0.057     0.000     38.02
    (CO2)2          1.208e-01   1.208e-01    -0.918    -0.918     0.000     76.03
-   HCO3-           7.929e-04   7.648e-04    -3.101    -3.116    -0.016     25.15
-   CO3-2           1.102e-10   9.534e-11    -9.958   -10.021    -0.063     -3.79
-H(0)          1.708e-30
-   H2              8.538e-31   8.540e-31   -30.069   -30.069     0.000     28.43
-O(0)          1.357e-13
-   O2              6.785e-14   6.786e-14   -13.168   -13.168     0.000     32.91
+   HCO3-           7.916e-04   7.635e-04    -3.101    -3.117    -0.016     25.46
+   CO3-2           1.120e-10   9.689e-11    -9.951   -10.014    -0.063     -4.98
+H(0)          8.958e-14
+   H2              4.479e-14   4.480e-14   -13.349   -13.349     0.000     28.43
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.608   -46.608     0.000     32.91
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 330 atm)
 
-  CH4(g)          -87.53    -90.72   -3.19  CH4
+  CH4(g)          -20.65    -23.84   -3.19  CH4
   CO2(g)            2.21      0.06   -2.16  CO2	 Pressure 322.7 atm, phi 0.507
-  H2(g)           -26.84    -30.07   -3.23  H2
+  H2(g)           -10.12    -13.35   -3.23  H2
   H2O(g)            0.07     -0.01   -0.08  H2O	 Pressure   7.3 atm, phi 0.161
-  O2(g)            -9.90    -13.17   -3.27  O2
+  O2(g)           -43.34    -46.61   -3.27  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -9985,22 +9981,22 @@ H2O(g)             0.92   8.305e+00  0.145   3.544e-01   3.820e-01   2.758e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.101      Charge balance
-                                       pe  =  10.166      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 567
+                                       pH  =   3.102      Charge balance
+                                       pe  =   1.799      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 526
                           Density (g/cm³)  =   0.98441
                                Volume (L)  =   1.07253
-                        Viscosity (mPa s)  =   0.29192
+                        Viscosity (mPa s)  =   0.29164
                         Activity of water  =   0.978
-                 Ionic strength (mol/kgw)  =   8.203e-04
+                 Ionic strength (mol/kgw)  =   8.184e-04
                        Mass of water (kg)  =   9.931e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.218e-09
                        Total CO2 (mol/kg)  =   1.434e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 368.63
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  76
+                               Iterations  =  77
                                   Total H  = 1.102484e+02
                                   Total O  = 5.797304e+01
 
@@ -10009,30 +10005,30 @@ H2O(g)             0.92   8.305e+00  0.145   3.544e-01   3.820e-01   2.758e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.203e-04   7.917e-04    -3.086    -3.101    -0.015      0.00
-   OH-             1.010e-09   9.727e-10    -8.996    -9.012    -0.016     -7.34
+   H+              8.184e-04   7.899e-04    -3.087    -3.102    -0.015      0.00
+   OH-             1.012e-09   9.749e-10    -8.995    -9.011    -0.016     -7.34
    H2O             5.551e+01   9.778e-01     1.744    -0.010     0.000     18.48
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.756   -90.756     0.000     40.65
+C(-4)         1.481e-24
+   CH4             1.481e-24   1.481e-24   -23.830   -23.830     0.000     40.65
 C(4)          1.434e+00
    CO2             1.177e+00   1.177e+00     0.071     0.071     0.000     37.92
    (CO2)2          1.285e-01   1.285e-01    -0.891    -0.891     0.000     75.85
-   HCO3-           8.203e-04   7.908e-04    -3.086    -3.102    -0.016     25.26
-   CO3-2           1.140e-10   9.848e-11    -9.943   -10.007    -0.064     -3.33
-H(0)          1.620e-30
-   H2              8.102e-31   8.104e-31   -30.091   -30.091     0.000     28.41
-O(0)          1.409e-13
-   O2              7.044e-14   7.045e-14   -13.152   -13.152     0.000     32.81
+   HCO3-           8.184e-04   7.890e-04    -3.087    -3.103    -0.016     25.64
+   CO3-2           1.163e-10   1.004e-10    -9.935    -9.998    -0.064     -4.58
+H(0)          8.736e-14
+   H2              4.368e-14   4.369e-14   -13.360   -13.360     0.000     28.41
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.615   -46.615     0.000     32.81
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 369 atm)
 
-  CH4(g)          -87.54    -90.76   -3.22  CH4
+  CH4(g)          -20.61    -23.83   -3.22  CH4
   CO2(g)            2.25      0.07   -2.18  CO2	 Pressure 360.3 atm, phi 0.491
-  H2(g)           -26.84    -30.09   -3.25  H2
+  H2(g)           -10.11    -13.36   -3.25  H2
   H2O(g)            0.08     -0.01   -0.09  H2O	 Pressure   8.3 atm, phi 0.145
-  O2(g)            -9.87    -13.15   -3.29  O2
+  O2(g)           -43.33    -46.62   -3.29  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10080,22 +10076,22 @@ H2O(g)             0.98   9.442e+00  0.131   3.820e-01   4.089e-01   2.690e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.086      Charge balance
-                                       pe  =  10.175      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 586
+                                       pH  =   3.087      Charge balance
+                                       pe  =   1.822      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 544
                           Density (g/cm³)  =   0.98675
                                Volume (L)  =   1.07187
-                        Viscosity (mPa s)  =   0.29313
+                        Viscosity (mPa s)  =   0.29284
                         Activity of water  =   0.977
-                 Ionic strength (mol/kgw)  =   8.513e-04
+                 Ionic strength (mol/kgw)  =   8.487e-04
                        Mass of water (kg)  =   9.926e-01
-                 Total alkalinity (eq/kg)  =   1.216e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.489e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 414.00
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  84
+                               Iterations  =  85
                                   Total H  = 1.101946e+02
                                   Total O  = 5.805267e+01
 
@@ -10104,30 +10100,30 @@ H2O(g)             0.98   9.442e+00  0.131   3.820e-01   4.089e-01   2.690e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.513e-04   8.212e-04    -3.070    -3.086    -0.016      0.00
-   OH-             1.013e-09   9.751e-10    -8.994    -9.011    -0.016     -7.50
+   H+              8.487e-04   8.187e-04    -3.071    -3.087    -0.016      0.00
+   OH-             1.016e-09   9.781e-10    -8.993    -9.010    -0.016     -7.50
    H2O             5.551e+01   9.770e-01     1.744    -0.010     0.000     18.44
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.714   -90.714     0.000     40.60
+C(-4)         1.248e-24
+   CH4             1.248e-24   1.248e-24   -23.904   -23.904     0.000     40.60
 C(4)          1.489e+00
    CO2             1.214e+00   1.214e+00     0.084     0.084     0.000     37.82
    (CO2)2          1.368e-01   1.369e-01    -0.864    -0.864     0.000     75.64
-   HCO3-           8.513e-04   8.202e-04    -3.070    -3.086    -0.016     25.40
-   CO3-2           1.186e-10   1.022e-10    -9.926    -9.991    -0.065     -2.81
-H(0)          1.603e-30
-   H2              8.014e-31   8.015e-31   -30.096   -30.096     0.000     28.40
-O(0)          1.331e-13
-   O2              6.656e-14   6.658e-14   -13.177   -13.177     0.000     32.69
+   HCO3-           8.487e-04   8.177e-04    -3.071    -3.087    -0.016     25.85
+   CO3-2           1.214e-10   1.047e-10    -9.916    -9.980    -0.065     -4.12
+H(0)          8.078e-14
+   H2              4.039e-14   4.040e-14   -13.394   -13.394     0.000     28.40
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.582   -46.582     0.000     32.69
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 414 atm)
 
-  CH4(g)          -87.47    -90.71   -3.24  CH4
+  CH4(g)          -20.66    -23.90   -3.24  CH4
   CO2(g)            2.29      0.08   -2.20  CO2	 Pressure 404.6 atm, phi 0.477
-  H2(g)           -26.83    -30.10   -3.27  H2
+  H2(g)           -10.13    -13.39   -3.27  H2
   H2O(g)            0.09     -0.01   -0.10  H2O	 Pressure   9.4 atm, phi 0.131
-  O2(g)            -9.87    -13.18   -3.31  O2
+  O2(g)           -43.28    -46.58   -3.31  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10175,22 +10171,22 @@ H2O(g)             1.03   1.075e+01  0.119   4.089e-01   4.347e-01   2.572e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.068      Charge balance
-                                       pe  =  10.188      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 607
-                          Density (g/cm³)  =   0.98943
+                                       pH  =   3.070      Charge balance
+                                       pe  =   1.820      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 563
+                          Density (g/cm³)  =   0.98942
                                Volume (L)  =   1.07102
-                        Viscosity (mPa s)  =   0.29456
+                        Viscosity (mPa s)  =   0.29424
                         Activity of water  =   0.976
-                 Ionic strength (mol/kgw)  =   8.866e-04
+                 Ionic strength (mol/kgw)  =   8.829e-04
                        Mass of water (kg)  =   9.922e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.219e-09
                        Total CO2 (mol/kg)  =   1.546e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 467.40
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  93
+                               Iterations  =  95
                                   Total H  = 1.101431e+02
                                   Total O  = 5.813993e+01
 
@@ -10199,30 +10195,30 @@ H2O(g)             1.03   1.075e+01  0.119   4.089e-01   4.347e-01   2.572e-02
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.866e-04   8.548e-04    -3.052    -3.068    -0.016      0.00
-   OH-             1.020e-09   9.812e-10    -8.992    -9.008    -0.017     -7.67
+   H+              8.829e-04   8.513e-04    -3.054    -3.070    -0.016      0.00
+   OH-             1.024e-09   9.852e-10    -8.990    -9.006    -0.017     -7.67
    H2O             5.551e+01   9.762e-01     1.744    -0.010     0.000     18.40
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00   -90.699   -90.699     0.000     40.55
+C(-4)         1.728e-24
+   CH4             1.728e-24   1.728e-24   -23.762   -23.762     0.000     40.55
 C(4)          1.546e+00
    CO2             1.254e+00   1.254e+00     0.098     0.098     0.000     37.70
    (CO2)2          1.459e-01   1.459e-01    -0.836    -0.836     0.000     75.40
-   HCO3-           8.866e-04   8.537e-04    -3.052    -3.069    -0.016     25.55
-   CO3-2           1.240e-10   1.066e-10    -9.906    -9.972    -0.066     -2.21
-H(0)          1.552e-30
-   H2              7.762e-31   7.763e-31   -30.110   -30.110     0.000     28.38
-O(0)          1.294e-13
-   O2              6.471e-14   6.472e-14   -13.189   -13.189     0.000     32.56
+   HCO3-           8.829e-04   8.503e-04    -3.054    -3.070    -0.016     26.09
+   CO3-2           1.277e-10   1.098e-10    -9.894    -9.959    -0.066     -3.59
+H(0)          8.416e-14
+   H2              4.208e-14   4.209e-14   -13.376   -13.376     0.000     28.38
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.657   -46.657     0.000     32.56
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 467 atm)
 
-  CH4(g)          -87.43    -90.70   -3.27  CH4
+  CH4(g)          -20.49    -23.76   -3.27  CH4
   CO2(g)            2.33      0.10   -2.23  CO2	 Pressure 456.6 atm, phi 0.465
-  H2(g)           -26.82    -30.11   -3.29  H2
+  H2(g)           -10.09    -13.38   -3.29  H2
   H2O(g)            0.11     -0.01   -0.12  H2O	 Pressure  10.7 atm, phi 0.119
-  O2(g)            -9.86    -13.19   -3.33  O2
+  O2(g)           -43.33    -46.66   -3.33  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10277,54 +10273,54 @@ H2O(g)             1.09   1.225e+01  0.108   4.347e-01   4.587e-01   2.401e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.049      Charge balance
-                                       pe  =  11.402      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 631
-                          Density (g/cm³)  =   0.99251
+                                       pH  =   3.051      Charge balance
+                                       pe  =   1.790      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 586
+                          Density (g/cm³)  =   0.99250
                                Volume (L)  =   1.06991
-                        Viscosity (mPa s)  =   0.29623
+                        Viscosity (mPa s)  =   0.29588
                         Activity of water  =   0.975
-                 Ionic strength (mol/kgw)  =   9.272e-04
+                 Ionic strength (mol/kgw)  =   9.220e-04
                        Mass of water (kg)  =   9.917e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.220e-09
                        Total CO2 (mol/kg)  =   1.607e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 530.35
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.210e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  41 (142 overall)
+                               Iterations  =  38 (139 overall)
                                   Total H  = 1.100951e+02
-                                  Total O  = 5.823577e+01
+                                  Total O  = 5.823576e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.272e-04   8.934e-04    -3.033    -3.049    -0.016      0.00
-   OH-             1.032e-09   9.921e-10    -8.986    -9.003    -0.017     -7.86
+   H+              9.220e-04   8.885e-04    -3.035    -3.051    -0.016      0.00
+   OH-             1.037e-09   9.976e-10    -8.984    -9.001    -0.017     -7.86
    H2O             5.551e+01   9.753e-01     1.744    -0.011     0.000     18.35
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.276  -100.276     0.000     40.49
+C(-4)         4.003e-24
+   CH4             4.003e-24   4.004e-24   -23.398   -23.397     0.000     40.49
 C(4)          1.607e+00
    CO2             1.295e+00   1.295e+00     0.112     0.112     0.000     37.56
    (CO2)2          1.557e-01   1.557e-01    -0.808    -0.808     0.000     75.12
-   HCO3-           9.272e-04   8.922e-04    -3.033    -3.050    -0.017     25.73
-   CO3-2           1.305e-10   1.119e-10    -9.884    -9.951    -0.067     -1.54
-H(0)          5.978e-33
-   H2              2.989e-33   2.990e-33   -32.524   -32.524     0.000     28.35
-O(0)          7.833e-09
-   O2              3.916e-09   3.917e-09    -8.407    -8.407     0.000     32.41
+   HCO3-           9.220e-04   8.873e-04    -3.035    -3.052    -0.017     26.36
+   CO3-2           1.353e-10   1.160e-10    -9.869    -9.935    -0.067     -2.99
+H(0)          9.914e-14
+   H2              4.957e-14   4.958e-14   -13.305   -13.305     0.000     28.35
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -46.846   -46.846     0.000     32.41
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 530 atm)
 
-  CH4(g)          -96.97   -100.28   -3.31  CH4
+  CH4(g)          -20.09    -23.40   -3.31  CH4
   CO2(g)            2.37      0.11   -2.26  CO2	 Pressure 518.1 atm, phi 0.456
-  H2(g)           -29.21    -32.52   -3.31  H2
+  H2(g)            -9.99    -13.30   -3.31  H2
   H2O(g)            0.12     -0.01   -0.13  H2O	 Pressure  12.2 atm, phi 0.108
-  O2(g)            -5.05     -8.41   -3.36  O2
+  O2(g)           -43.49    -46.85   -3.36  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10379,54 +10375,54 @@ H2O(g)             1.14   1.395e+01  0.099   4.587e-01   4.804e-01   2.170e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.028      Charge balance
-                                       pe  =  11.422      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 659
+                                       pH  =   3.031      Charge balance
+                                       pe  =   1.764      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 611
                           Density (g/cm³)  =   0.99605
                                Volume (L)  =   1.06852
-                        Viscosity (mPa s)  =   0.29820
+                        Viscosity (mPa s)  =   0.29782
                         Activity of water  =   0.974
-                 Ionic strength (mol/kgw)  =   9.741e-04
+                 Ionic strength (mol/kgw)  =   9.668e-04
                        Mass of water (kg)  =   9.913e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.214e-09
                        Total CO2 (mol/kg)  =   1.672e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 604.71
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.204e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  35 (136 overall)
+                               Iterations  = 139 (240 overall)
                                   Total H  = 1.100517e+02
-                                  Total O  = 5.834106e+01
+                                  Total O  = 5.834105e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.741e-04   9.379e-04    -3.011    -3.028    -0.016      0.00
-   OH-             1.050e-09   1.009e-09    -8.979    -8.996    -0.017     -8.07
+   H+              9.668e-04   9.310e-04    -3.015    -3.031    -0.016      0.00
+   OH-             1.058e-09   1.017e-09    -8.975    -8.993    -0.017     -8.07
    H2O             5.551e+01   9.744e-01     1.744    -0.011     0.000     18.29
-C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.295  -100.295     0.000     40.42
+C(-4)         8.886e-24
+   CH4             8.886e-24   8.888e-24   -23.051   -23.051     0.000     40.42
 C(4)          1.672e+00
    CO2             1.339e+00   1.339e+00     0.127     0.127     0.000     37.41
    (CO2)2          1.663e-01   1.663e-01    -0.779    -0.779     0.000     74.81
-   HCO3-           9.741e-04   9.366e-04    -3.011    -3.028    -0.017     25.93
-   CO3-2           1.383e-10   1.182e-10    -9.859    -9.927    -0.068     -0.77
-H(0)          5.609e-33
-   H2              2.804e-33   2.805e-33   -32.552   -32.552     0.000     28.33
-O(0)          7.836e-09
-   O2              3.918e-09   3.919e-09    -8.407    -8.407     0.000     32.23
+   HCO3-           9.668e-04   9.298e-04    -3.015    -3.032    -0.017     26.67
+   CO3-2           1.446e-10   1.237e-10    -9.840    -9.908    -0.068     -2.30
+H(0)          1.147e-13
+   H2              5.737e-14   5.738e-14   -13.241   -13.241     0.000     28.33
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -47.029   -47.029     0.000     32.23
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 605 atm)
 
-  CH4(g)          -96.94   -100.29   -3.35  CH4
+  CH4(g)          -19.70    -23.05   -3.35  CH4
   CO2(g)            2.43      0.13   -2.30  CO2	 Pressure 590.8 atm, phi 0.452
-  H2(g)           -29.21    -32.55   -3.34  H2
+  H2(g)            -9.90    -13.24   -3.34  H2
   H2O(g)            0.14     -0.01   -0.15  H2O	 Pressure  14.0 atm, phi 0.099
-  O2(g)            -5.02     -8.41   -3.39  O2
+  O2(g)           -43.64    -47.03   -3.39  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10481,54 +10477,54 @@ H2O(g)             1.20   1.588e+01  0.091   4.804e-01   4.991e-01   1.875e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   3.005      Charge balance
-                                       pe  =  11.444      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 690
+                                       pH  =   3.009      Charge balance
+                                       pe  =  11.341      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 640
                           Density (g/cm³)  =   1.00012
                                Volume (L)  =   1.06679
-                        Viscosity (mPa s)  =   0.30053
+                        Viscosity (mPa s)  =   0.30011
                         Activity of water  =   0.973
-                 Ionic strength (mol/kgw)  =   1.029e-03
+                 Ionic strength (mol/kgw)  =   1.018e-03
                        Mass of water (kg)  =   9.910e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.740e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 692.70
-                  Electrical balance (eq)  =  -1.206e-09
+                  Electrical balance (eq)  =  -1.204e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  36 (137 overall)
+                               Iterations  =  65 (166 overall)
                                   Total H  = 1.100142e+02
-                                  Total O  = 5.845662e+01
+                                  Total O  = 5.845661e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.029e-03   9.897e-04    -2.988    -3.005    -0.017      0.00
-   OH-             1.078e-09   1.035e-09    -8.967    -8.985    -0.018     -8.32
+   H+              1.018e-03   9.800e-04    -2.992    -3.009    -0.017      0.00
+   OH-             1.089e-09   1.045e-09    -8.963    -8.981    -0.018     -8.32
    H2O             5.551e+01   9.734e-01     1.744    -0.012     0.000     18.23
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.318  -100.318     0.000     40.34
+   CH4             0.000e+00   0.000e+00   -99.529   -99.529     0.000     40.34
 C(4)          1.740e+00
    CO2             1.384e+00   1.384e+00     0.141     0.141     0.000     37.23
    (CO2)2          1.778e-01   1.778e-01    -0.750    -0.750     0.000     74.46
-   HCO3-           1.029e-03   9.883e-04    -2.988    -3.005    -0.017     26.15
-   CO3-2           1.477e-10   1.258e-10    -9.831    -9.900    -0.069      0.10
-H(0)          5.203e-33
-   H2              2.602e-33   2.602e-33   -32.585   -32.585     0.000     28.30
-O(0)          7.839e-09
-   O2              3.919e-09   3.920e-09    -8.407    -8.407     0.000     32.04
+   HCO3-           1.018e-03   9.786e-04    -2.992    -3.009    -0.017     27.02
+   CO3-2           1.561e-10   1.331e-10    -9.807    -9.876    -0.069     -1.53
+H(0)          8.197e-33
+   H2              4.099e-33   4.100e-33   -32.387   -32.387     0.000     28.30
+O(0)          3.158e-09
+   O2              1.579e-09   1.580e-09    -8.802    -8.801     0.000     32.04
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 693 atm)
 
-  CH4(g)          -96.92   -100.32   -3.40  CH4
+  CH4(g)          -96.13    -99.53   -3.40  CH4
   CO2(g)            2.49      0.14   -2.34  CO2	 Pressure 676.8 atm, phi 0.452
-  H2(g)           -29.21    -32.58   -3.38  H2
+  H2(g)           -29.01    -32.39   -3.38  H2
   H2O(g)            0.16     -0.01   -0.17  H2O	 Pressure  15.9 atm, phi 0.091
-  O2(g)            -4.98     -8.41   -3.43  O2
+  O2(g)            -5.37     -8.80   -3.43  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10583,54 +10579,54 @@ H2O(g)             1.26   1.804e+01  0.085   4.991e-01   5.142e-01   1.511e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.979      Charge balance
-                                       pe  =  11.469      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 727
+                                       pH  =   2.984      Charge balance
+                                       pe  =  11.364      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 674
                           Density (g/cm³)  =   1.00480
                                Volume (L)  =   1.06465
-                        Viscosity (mPa s)  =   0.30328
+                        Viscosity (mPa s)  =   0.30281
                         Activity of water  =   0.972
-                 Ionic strength (mol/kgw)  =   1.092e-03
+                 Ionic strength (mol/kgw)  =   1.078e-03
                        Mass of water (kg)  =   9.907e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.215e-09
                        Total CO2 (mol/kg)  =   1.812e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 797.06
-                  Electrical balance (eq)  =  -1.206e-09
+                  Electrical balance (eq)  =  -1.204e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  33 (134 overall)
+                               Iterations  =  36 (137 overall)
                                   Total H  = 1.099840e+02
-                                  Total O  = 5.858320e+01
+                                  Total O  = 5.858319e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.092e-03   1.050e-03    -2.962    -2.979    -0.017      0.00
-   OH-             1.118e-09   1.072e-09    -8.952    -8.970    -0.018     -8.59
+   H+              1.078e-03   1.036e-03    -2.967    -2.984    -0.017      0.00
+   OH-             1.132e-09   1.086e-09    -8.946    -8.964    -0.018     -8.59
    H2O             5.551e+01   9.724e-01     1.744    -0.012     0.000     18.15
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.349  -100.348     0.000     40.25
+   CH4             0.000e+00   0.000e+00   -99.559   -99.559     0.000     40.25
 C(4)          1.812e+00
    CO2             1.431e+00   1.431e+00     0.156     0.156     0.000     37.03
    (CO2)2          1.901e-01   1.902e-01    -0.721    -0.721     0.000     74.06
-   HCO3-           1.092e-03   1.049e-03    -2.962    -2.979    -0.018     26.40
-   CO3-2           1.589e-10   1.350e-10    -9.799    -9.870    -0.071      1.07
-H(0)          4.763e-33
-   H2              2.381e-33   2.382e-33   -32.623   -32.623     0.000     28.27
-O(0)          7.841e-09
-   O2              3.920e-09   3.921e-09    -8.407    -8.407     0.000     31.83
+   HCO3-           1.078e-03   1.035e-03    -2.967    -2.985    -0.018     27.42
+   CO3-2           1.706e-10   1.450e-10    -9.768    -9.839    -0.071     -0.67
+H(0)          7.503e-33
+   H2              3.751e-33   3.752e-33   -32.426   -32.426     0.000     28.27
+O(0)          3.159e-09
+   O2              1.580e-09   1.580e-09    -8.801    -8.801     0.000     31.83
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 797 atm)
 
-  CH4(g)          -96.89   -100.35   -3.46  CH4
+  CH4(g)          -96.10    -99.56   -3.46  CH4
   CO2(g)            2.55      0.16   -2.40  CO2	 Pressure 779.0 atm, phi 0.459
-  H2(g)           -29.20    -32.62   -3.42  H2
+  H2(g)           -29.01    -32.43   -3.42  H2
   H2O(g)            0.19     -0.01   -0.20  H2O	 Pressure  18.0 atm, phi 0.085
-  O2(g)            -4.93     -8.41   -3.47  O2
+  O2(g)            -5.33     -8.80   -3.47  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10685,54 +10681,54 @@ H2O(g)             1.31   2.044e+01  0.081   5.142e-01   5.250e-01   1.075e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.950      Charge balance
-                                       pe  =  11.495      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 768
+                                       pH  =   2.958      Charge balance
+                                       pe  =  11.389      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 713
                           Density (g/cm³)  =   1.01017
                                Volume (L)  =   1.06205
-                        Viscosity (mPa s)  =   0.30654
+                        Viscosity (mPa s)  =   0.30601
                         Activity of water  =   0.971
-                 Ionic strength (mol/kgw)  =   1.168e-03
+                 Ionic strength (mol/kgw)  =   1.147e-03
                        Mass of water (kg)  =   9.905e-01
-                 Total alkalinity (eq/kg)  =   1.217e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.888e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 921.15
-                  Electrical balance (eq)  =  -1.206e-09
+                  Electrical balance (eq)  =  -1.204e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  35 (136 overall)
+                               Iterations  =  44 (145 overall)
                                   Total H  = 1.099625e+02
-                                  Total O  = 5.872143e+01
+                                  Total O  = 5.872141e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.168e-03   1.122e-03    -2.933    -2.950    -0.018      0.00
-   OH-             1.174e-09   1.124e-09    -8.930    -8.949    -0.019     -8.89
+   H+              1.147e-03   1.102e-03    -2.940    -2.958    -0.017      0.00
+   OH-             1.194e-09   1.144e-09    -8.923    -8.941    -0.018     -8.89
    H2O             5.551e+01   9.713e-01     1.744    -0.013     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.386  -100.386     0.000     40.15
+   CH4             0.000e+00   0.000e+00   -99.597   -99.597     0.000     40.15
 C(4)          1.888e+00
    CO2             1.480e+00   1.480e+00     0.170     0.170     0.000     36.81
    (CO2)2          2.033e-01   2.034e-01    -0.692    -0.692     0.000     73.62
-   HCO3-           1.168e-03   1.120e-03    -2.933    -2.951    -0.018     26.69
-   CO3-2           1.726e-10   1.460e-10    -9.763    -9.836    -0.073      2.15
-H(0)          4.289e-33
-   H2              2.145e-33   2.145e-33   -32.669   -32.669     0.000     28.24
-O(0)          7.842e-09
-   O2              3.921e-09   3.922e-09    -8.407    -8.406     0.000     31.59
+   HCO3-           1.147e-03   1.100e-03    -2.940    -2.958    -0.018     27.86
+   CO3-2           1.888e-10   1.599e-10    -9.724    -9.796    -0.072      0.29
+H(0)          6.757e-33
+   H2              3.379e-33   3.379e-33   -32.471   -32.471     0.000     28.24
+O(0)          3.160e-09
+   O2              1.580e-09   1.580e-09    -8.801    -8.801     0.000     31.59
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 921 atm)
 
-  CH4(g)          -96.86   -100.39   -3.53  CH4
+  CH4(g)          -96.07    -99.60   -3.53  CH4
   CO2(g)            2.63      0.17   -2.46  CO2	 Pressure 900.7 atm, phi 0.474
-  H2(g)           -29.20    -32.67   -3.47  H2
+  H2(g)           -29.00    -32.47   -3.47  H2
   H2O(g)            0.22     -0.01   -0.23  H2O	 Pressure  20.4 atm, phi 0.081
-  O2(g)            -4.88     -8.41   -3.53  O2
+  O2(g)            -5.27     -8.80   -3.53  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10787,54 +10783,54 @@ H2O(g)             1.36   2.308e+01  0.078   5.250e-01   5.306e-01   5.633e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.918      Charge balance
-                                       pe  =  11.525      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 817
+                                       pH  =   2.929      Charge balance
+                                       pe  =  11.416      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 758
                           Density (g/cm³)  =   1.01630
                                Volume (L)  =   1.05892
-                        Viscosity (mPa s)  =   0.31039
+                        Viscosity (mPa s)  =   0.30979
                         Activity of water  =   0.970
-                 Ionic strength (mol/kgw)  =   1.258e-03
+                 Ionic strength (mol/kgw)  =   1.228e-03
                        Mass of water (kg)  =   9.904e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.216e-09
                        Total CO2 (mol/kg)  =   1.967e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 1069.23
-                  Electrical balance (eq)  =  -1.206e-09
+                  Electrical balance (eq)  =  -1.205e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  37 (138 overall)
                                   Total H  = 1.099512e+02
-                                  Total O  = 5.887177e+01
+                                  Total O  = 5.887174e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.257e-03   1.207e-03    -2.900    -2.918    -0.018      0.00
-   OH-             1.253e-09   1.199e-09    -8.902    -8.921    -0.019     -9.21
+   H+              1.228e-03   1.179e-03    -2.911    -2.929    -0.018      0.00
+   OH-             1.282e-09   1.227e-09    -8.892    -8.911    -0.019     -9.21
    H2O             5.551e+01   9.702e-01     1.744    -0.013     0.000     17.97
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.434  -100.434     0.000     40.04
+   CH4             0.000e+00   0.000e+00   -99.644   -99.644     0.000     40.04
 C(4)          1.967e+00
    CO2             1.531e+00   1.531e+00     0.185     0.185     0.000     36.56
    (CO2)2          2.175e-01   2.175e-01    -0.663    -0.662     0.000     73.13
-   HCO3-           1.257e-03   1.205e-03    -2.900    -2.919    -0.019     27.00
-   CO3-2           1.893e-10   1.594e-10    -9.723    -9.798    -0.075      3.35
-H(0)          3.788e-33
-   H2              1.894e-33   1.894e-33   -32.723   -32.723     0.000     28.20
-O(0)          7.843e-09
-   O2              3.922e-09   3.923e-09    -8.407    -8.406     0.000     31.32
+   HCO3-           1.228e-03   1.177e-03    -2.911    -2.929    -0.018     28.34
+   CO3-2           2.122e-10   1.790e-10    -9.673    -9.747    -0.074      1.36
+H(0)          5.967e-33
+   H2              2.984e-33   2.985e-33   -32.525   -32.525     0.000     28.20
+O(0)          3.160e-09
+   O2              1.580e-09   1.581e-09    -8.801    -8.801     0.000     31.32
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 1069 atm)
 
-  CH4(g)          -96.82   -100.43   -3.61  CH4
+  CH4(g)          -96.03    -99.64   -3.61  CH4
   CO2(g)            2.72      0.18   -2.53  CO2	 Pressure 1046.2 atm, phi 0.500
-  H2(g)           -29.19    -32.72   -3.53  H2
+  H2(g)           -29.00    -32.53   -3.53  H2
   H2O(g)            0.25     -0.01   -0.27  H2O	 Pressure  23.1 atm, phi 0.078
-  O2(g)            -4.82     -8.41   -3.59  O2
+  O2(g)            -5.21     -8.80   -3.59  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -10872,14 +10868,14 @@ Reaction 1.
 Total pressure: 1246.74      atmospheres          (Peng-Robinson calculation)
     Gas volume:   1.00e+00 liters
   Molar volume:   3.92e-02 liters/mole
-   P * Vm / RT:  1.59662  (Compressibility Factor Z) 
+   P * Vm / RT:  1.59663  (Compressibility Factor Z) 
 
                                                         Moles in gas
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
 CO2(g)             3.09   1.221e+03  0.541   2.405e+01   2.497e+01   9.188e-01
-H2O(g)             1.41   2.593e+01  0.076   5.306e-01   5.304e-01  -2.392e-04
+H2O(g)             1.41   2.593e+01  0.076   5.306e-01   5.304e-01  -2.391e-04
 
 -----------------------------Solution composition------------------------------
 
@@ -10889,54 +10885,54 @@ H2O(g)             1.41   2.593e+01  0.076   5.306e-01   5.304e-01  -2.392e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   2.883      Charge balance
-                                       pe  =  11.557      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm, 100°C)  = 874
+                                       pH  =   2.897      Charge balance
+                                       pe  =  11.445      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm, 100°C)  = 810
                           Density (g/cm³)  =   1.02323
                                Volume (L)  =   1.05524
-                        Viscosity (mPa s)  =   0.31493
+                        Viscosity (mPa s)  =   0.31423
                         Activity of water  =   0.969
-                 Ionic strength (mol/kgw)  =   1.365e-03
+                 Ionic strength (mol/kgw)  =   1.323e-03
                        Mass of water (kg)  =   9.904e-01
-                 Total alkalinity (eq/kg)  =   1.218e-09
+                 Total alkalinity (eq/kg)  =   1.217e-09
                        Total CO2 (mol/kg)  =   2.049e+00
                          Temperature (°C)  = 100.00
                            Pressure (atm)  = 1246.74
-                  Electrical balance (eq)  =  -1.207e-09
+                  Electrical balance (eq)  =  -1.205e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  49 (150 overall)
+                               Iterations  =  42 (143 overall)
                                   Total H  = 1.099517e+02
-                                  Total O  = 5.903441e+01
+                                  Total O  = 5.903436e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.365e-03   1.308e-03    -2.865    -2.883    -0.018      0.00
-   OH-             1.366e-09   1.306e-09    -8.864    -8.884    -0.020     -9.57
+   H+              1.323e-03   1.268e-03    -2.879    -2.897    -0.018      0.00
+   OH-             1.409e-09   1.347e-09    -8.851    -8.871    -0.019     -9.57
    H2O             5.551e+01   9.691e-01     1.744    -0.014     0.000     17.86
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -100.492  -100.492     0.000     39.91
+   CH4             0.000e+00   0.000e+00   -99.703   -99.703     0.000     39.91
 C(4)          2.049e+00
    CO2             1.583e+00   1.583e+00     0.199     0.199     0.000     36.29
    (CO2)2          2.325e-01   2.326e-01    -0.634    -0.633     0.000     72.59
-   HCO3-           1.365e-03   1.306e-03    -2.865    -2.884    -0.019     27.35
-   CO3-2           2.098e-10   1.757e-10    -9.678    -9.755    -0.077      4.67
-H(0)          3.266e-33
-   H2              1.633e-33   1.634e-33   -32.787   -32.787     0.000     28.16
-O(0)          7.843e-09
-   O2              3.922e-09   3.923e-09    -8.407    -8.406     0.000     31.03
+   HCO3-           1.323e-03   1.266e-03    -2.879    -2.898    -0.019     28.88
+   CO3-2           2.428e-10   2.039e-10    -9.615    -9.691    -0.076      2.54
+H(0)          5.145e-33
+   H2              2.573e-33   2.573e-33   -32.590   -32.589     0.000     28.16
+O(0)          3.160e-09
+   O2              1.580e-09   1.581e-09    -8.801    -8.801     0.000     31.03
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(373 K, 1247 atm)
 
-  CH4(g)          -96.78   -100.49   -3.71  CH4
+  CH4(g)          -95.99    -99.70   -3.71  CH4
   CO2(g)            2.82      0.20   -2.62  CO2	 Pressure 1220.8 atm, phi 0.541
-  H2(g)           -29.19    -32.79   -3.60  H2
+  H2(g)           -28.99    -32.59   -3.60  H2
   H2O(g)            0.30     -0.01   -0.31  H2O	 Pressure  25.9 atm, phi 0.076
-  O2(g)            -4.74     -8.41   -3.66  O2
+  O2(g)            -5.14     -8.80   -3.66  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex2b.out b/phreeqc3-examples/ex2b.out
index 404c0e87..2d9eb972 100644
--- a/phreeqc3-examples/ex2b.out
+++ b/phreeqc3-examples/ex2b.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
diff --git a/phreeqc3-examples/ex3.out b/phreeqc3-examples/ex3.out
index 2f170f84..902dd6ec 100644
--- a/phreeqc3-examples/ex3.out
+++ b/phreeqc3-examples/ex3.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -103,62 +104,62 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -2.00    -3.47     -1.47    1.000e+01   9.998e+00  -1.976e-03
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.998e+00  -1.645e-03
+CO2(g)           -2.00    -3.47     -1.47    1.000e+01   9.998e+00  -1.953e-03
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.998e+00  -1.623e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 3.622e-03   3.621e-03
-	Ca                1.645e-03   1.645e-03
+	C                 3.576e-03   3.576e-03
+	Ca                1.623e-03   1.623e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.297      Charge balance
-                                       pe  =  -1.575      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 304
+                                       pH  =   7.295      Charge balance
+                                       pe  =  -1.573      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 307
                           Density (g/cm³)  =   0.99726
                                Volume (L)  =   1.00300
-                        Viscosity (mPa s)  =   0.89187
+                        Viscosity (mPa s)  =   0.89219
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   4.826e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   3.291e-03
-                       Total CO2 (mol/kg)  =   3.622e-03
+                 Total alkalinity (eq/kg)  =   3.245e-03
+                       Total CO2 (mol/kg)  =   3.576e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  17
                                   Total H  = 1.110124e+02
-                                  Total O  = 5.551511e+01
+                                  Total O  = 5.551499e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             2.162e-07   2.005e-07    -6.665    -6.698    -0.033     -4.07
-   H+              5.402e-08   5.048e-08    -7.267    -7.297    -0.029      0.00
+   OH-             2.154e-07   1.998e-07    -6.667    -6.699    -0.033     -4.07
+   H+              5.421e-08   5.066e-08    -7.266    -7.295    -0.029      0.00
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
-C(-4)         1.404e-25
-   CH4             1.404e-25   1.406e-25   -24.853   -24.852     0.000     35.46
-C(4)          3.622e-03
-   HCO3-           3.223e-03   2.998e-03    -2.492    -2.523    -0.032     24.60
+C(-4)         1.394e-25
+   CH4             1.394e-25   1.396e-25   -24.856   -24.855     0.000     35.46
+C(4)          3.576e-03
+   HCO3-           3.212e-03   2.987e-03    -2.493    -2.525    -0.032     24.62
    CO2             3.400e-04   3.403e-04    -3.469    -3.468     0.000     34.43
-   CaHCO3+         4.886e-05   4.548e-05    -4.311    -4.342    -0.031      9.70
+   CaHCO3+         1.483e-05   1.380e-05    -4.829    -4.860    -0.031    122.67
    CaCO3           5.557e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   CO3-2           3.723e-06   2.785e-06    -5.429    -5.555    -0.126     -3.91
+   CO3-2           3.697e-06   2.765e-06    -5.432    -5.558    -0.126     -3.79
    (CO2)2          2.123e-09   2.125e-09    -8.673    -8.673     0.000     68.87
-Ca            1.645e-03
-   Ca+2            1.591e-03   1.189e-03    -2.798    -2.925    -0.126    -18.02
-   CaHCO3+         4.886e-05   4.548e-05    -4.311    -4.342    -0.031      9.70
+Ca            1.623e-03
+   Ca+2            1.602e-03   1.198e-03    -2.795    -2.922    -0.126    -18.02
+   CaHCO3+         1.483e-05   1.380e-05    -4.829    -4.860    -0.031    122.67
    CaCO3           5.557e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   CaOH+           4.212e-09   3.909e-09    -8.376    -8.408    -0.032     (0)  
-H(0)          5.093e-15
-   H2              2.547e-15   2.549e-15   -14.594   -14.594     0.000     28.61
+   CaOH+           4.227e-09   3.923e-09    -8.374    -8.406    -0.032     (0)  
+H(0)          5.084e-15
+   H2              2.542e-15   2.545e-15   -14.595   -14.594     0.000     28.61
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -63.193   -63.193     0.000     30.40
+   O2              0.000e+00   0.000e+00   -63.192   -63.191     0.000     30.40
 
 ------------------------------Saturation indices-------------------------------
 
@@ -166,7 +167,7 @@ O(0)          0.000e+00
 
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)          -22.05    -24.85   -2.80  CH4
+  CH4(g)          -22.05    -24.86   -2.80  CH4
   CO2(g)           -2.00     -3.47   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   H2(g)           -11.49    -14.59   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
@@ -228,15 +229,15 @@ Initial solution 2.	Seawater
 
                                        pH  =   8.220    
                                        pe  =   8.451    
-      Specific Conductance (µS/cm,  25°C)  = 52731
-                          Density (g/cm³)  =   1.02327
-                               Volume (L)  =   1.01279
-                        Viscosity (mPa s)  =   0.95702
+      Specific Conductance (µS/cm,  25°C)  = 52856
+                          Density (g/cm³)  =   1.02328
+                               Volume (L)  =   1.01278
+                        Viscosity (mPa s)  =   0.96029
                         Activity of water  =   0.981
-                 Ionic strength (mol/kgw)  =   6.741e-01
+                 Ionic strength (mol/kgw)  =   6.704e-01
                        Mass of water (kg)  =   1.000e+00
-                    Total carbon (mol/kg)  =   2.240e-03
-                       Total CO2 (mol/kg)  =   2.240e-03
+                    Total carbon (mol/kg)  =   2.238e-03
+                       Total CO2 (mol/kg)  =   2.238e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   7.967e-04
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.07
@@ -249,90 +250,92 @@ Initial solution 2.	Seawater
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             2.705e-06   1.647e-06    -5.568    -5.783    -0.215     -2.63
-   H+              7.983e-09   6.026e-09    -8.098    -8.220    -0.122      0.00
-   H2O             5.551e+01   9.806e-01     1.744    -0.009     0.000     18.07
-C(4)          2.240e-03
-   HCO3-           1.572e-03   1.062e-03    -2.803    -2.974    -0.170     26.61
-   MgHCO3+         2.743e-04   1.725e-04    -3.562    -3.763    -0.201      5.82
-   NaHCO3          1.700e-04   2.430e-04    -3.770    -3.614     0.155     28.00
-   MgCO3           9.375e-05   1.095e-04    -4.028    -3.961     0.067    -17.09
-   CaHCO3+         4.751e-05   3.288e-05    -4.323    -4.483    -0.160      9.96
-   CO3-2           3.973e-05   8.264e-06    -4.401    -5.083    -0.682     -0.40
-   CaCO3           2.885e-05   3.369e-05    -4.540    -4.472     0.067    -14.60
-   CO2             1.324e-05   1.467e-05    -4.878    -4.834     0.044     34.43
-   (CO2)2          3.382e-12   3.950e-12   -11.471   -11.403     0.067     68.87
+   OH-             2.703e-06   1.647e-06    -5.568    -5.783    -0.215     -2.63
+   H+              7.981e-09   6.026e-09    -8.098    -8.220    -0.122      0.00
+   H2O             5.551e+01   9.806e-01     1.744    -0.008     0.000     18.07
+C(4)          2.238e-03
+   HCO3-           1.541e-03   1.041e-03    -2.812    -2.982    -0.170     25.99
+   MgHCO3+         2.783e-04   1.751e-04    -3.556    -3.757    -0.201      5.82
+   NaHCO3          2.252e-04   3.066e-04    -3.647    -3.513     0.134     31.73
+   MgCO3           9.524e-05   1.111e-04    -4.021    -3.954     0.067    -17.09
+   CO3-2           3.889e-05   8.104e-06    -4.410    -5.091    -0.681     -0.52
+   CaCO3           2.908e-05   3.393e-05    -4.536    -4.469     0.067    -14.60
+   CaHCO3+         1.446e-05   1.001e-05    -4.840    -5.000    -0.160    122.92
+   CO2             1.299e-05   1.438e-05    -4.886    -4.842     0.044     34.43
+   KHCO3           2.970e-06   3.013e-06    -5.527    -5.521     0.006     41.03
+   (CO2)2          3.254e-12   3.798e-12   -11.488   -11.420     0.067     68.87
 Ca            1.066e-02
-   Ca+2            9.706e-03   2.427e-03    -2.013    -2.615    -0.602    -16.70
-   CaSO4           8.788e-04   1.026e-03    -3.056    -2.989     0.067      7.50
-   CaHCO3+         4.751e-05   3.288e-05    -4.323    -4.483    -0.160      9.96
-   CaCO3           2.885e-05   3.369e-05    -4.540    -4.472     0.067    -14.60
-   CaOH+           8.777e-08   6.554e-08    -7.057    -7.183    -0.127     (0)  
-   CaHSO4+         5.444e-11   4.065e-11   -10.264   -10.391    -0.127     (0)  
+   Ca+2            9.964e-03   2.493e-03    -2.002    -2.603    -0.602    -16.70
+   CaSO4           6.537e-04   7.628e-04    -3.185    -3.118     0.067      7.50
+   CaCO3           2.908e-05   3.393e-05    -4.536    -4.469     0.067    -14.60
+   CaHCO3+         1.446e-05   1.001e-05    -4.840    -5.000    -0.160    122.92
+   CaOH+           9.020e-08   6.732e-08    -7.045    -7.172    -0.127     (0)  
+   CaHSO4+         4.048e-11   3.021e-11   -10.393   -10.520    -0.127     (0)  
 Cl            5.657e-01
-   Cl-             5.657e-01   3.568e-01    -0.247    -0.448    -0.200     18.79
-   HCl             3.826e-10   7.407e-10    -9.417    -9.130     0.287     (0)  
-H(0)          5.516e-37
-   H2              2.758e-37   3.221e-37   -36.559   -36.492     0.067     28.61
+   Cl-             5.657e-01   3.570e-01    -0.247    -0.447    -0.200     18.79
+   HCl             3.842e-10   7.411e-10    -9.415    -9.130     0.285     (0)  
+H(0)          5.521e-37
+   H2              2.760e-37   3.221e-37   -36.559   -36.492     0.067     28.61
 K             1.058e-02
-   K+              1.043e-02   6.501e-03    -1.982    -2.187    -0.205      9.66
-   KSO4-           1.471e-04   5.683e-05    -3.832    -4.245    -0.413     32.21
+   K+              1.039e-02   6.478e-03    -1.983    -2.189    -0.205      9.66
+   KSO4-           1.873e-04   1.696e-04    -3.728    -3.770    -0.043     11.34
+   KHCO3           2.970e-06   3.013e-06    -5.527    -5.521     0.006     41.03
 Mg            5.507e-02
-   Mg+2            4.811e-02   1.389e-02    -1.318    -1.857    -0.540    -20.41
-   MgSO4           6.339e-03   8.646e-03    -2.198    -2.063     0.135     -0.83
-   MgHCO3+         2.743e-04   1.725e-04    -3.562    -3.763    -0.201      5.82
-   Mg(SO4)2-2      2.394e-04   6.773e-05    -3.621    -4.169    -0.548     48.54
-   MgCO3           9.375e-05   1.095e-04    -4.028    -3.961     0.067    -17.09
-   MgOH+           1.164e-05   8.204e-06    -4.934    -5.086    -0.152     (0)  
+   Mg+2            4.979e-02   1.437e-02    -1.303    -1.842    -0.540    -20.42
+   MgSO4           4.756e-03   6.476e-03    -2.323    -2.189     0.134     -7.92
+   MgHCO3+         2.783e-04   1.751e-04    -3.556    -3.757    -0.201      5.82
+   Mg(SO4)2-2      1.296e-04   3.671e-05    -3.887    -4.435    -0.548     32.91
+   MgCO3           9.524e-05   1.111e-04    -4.021    -3.954     0.067    -17.09
+   MgOH+           1.205e-05   8.493e-06    -4.919    -5.071    -0.152     (0)  
 Na            4.854e-01
-   Na+             4.769e-01   3.422e-01    -0.322    -0.466    -0.144     -0.50
-   NaSO4-          8.339e-03   3.180e-03    -2.079    -2.498    -0.419     20.67
-   NaHCO3          1.700e-04   2.430e-04    -3.770    -3.614     0.155     28.00
-   NaOH            4.827e-17   5.637e-17   -16.316   -16.249     0.067     (0)  
-O(0)          6.616e-20
-   O2              3.308e-20   3.863e-20   -19.480   -19.413     0.067     30.40
+   Na+             4.712e-01   3.381e-01    -0.327    -0.471    -0.144     -0.51
+   NaSO4-          1.396e-02   9.473e-03    -1.855    -2.024    -0.168      8.22
+   NaHCO3          2.252e-04   3.066e-04    -3.647    -3.513     0.134     31.73
+   NaOH            4.773e-17   5.570e-17   -16.321   -16.254     0.067     (0)  
+O(0)          6.622e-20
+   O2              3.311e-20   3.864e-20   -19.480   -19.413     0.067     30.40
 S(6)          2.926e-02
-   SO4-2           1.307e-02   2.378e-03    -1.884    -2.624    -0.740     17.77
-   NaSO4-          8.339e-03   3.180e-03    -2.079    -2.498    -0.419     20.67
-   MgSO4           6.339e-03   8.646e-03    -2.198    -2.063     0.135     -0.83
-   CaSO4           8.788e-04   1.026e-03    -3.056    -2.989     0.067      7.50
-   Mg(SO4)2-2      2.394e-04   6.773e-05    -3.621    -4.169    -0.548     48.54
-   KSO4-           1.471e-04   5.683e-05    -3.832    -4.245    -0.413     32.21
-   HSO4-           1.866e-09   1.393e-09    -8.729    -8.856    -0.127     40.96
-   CaHSO4+         5.444e-11   4.065e-11   -10.264   -10.391    -0.127     (0)  
+   NaSO4-          1.396e-02   9.473e-03    -1.855    -2.024    -0.168      8.22
+   SO4-2           9.440e-03   1.721e-03    -2.025    -2.764    -0.739     38.42
+   MgSO4           4.756e-03   6.476e-03    -2.323    -2.189     0.134     -7.92
+   CaSO4           6.537e-04   7.628e-04    -3.185    -3.118     0.067      7.50
+   KSO4-           1.873e-04   1.696e-04    -3.728    -3.770    -0.043     11.34
+   Mg(SO4)2-2      1.296e-04   3.671e-05    -3.887    -4.435    -0.548     32.91
+   HSO4-           1.351e-09   1.008e-09    -8.869    -8.996    -0.127     40.96
+   CaHSO4+         4.048e-11   3.021e-11   -10.393   -10.520    -0.127     (0)  
 Si            7.382e-05
-   H4SiO4          7.061e-05   8.247e-05    -4.151    -4.084     0.067     52.08
-   H3SiO4-         3.209e-06   2.018e-06    -5.494    -5.695    -0.201     28.72
-   H2SiO4-2        1.095e-10   2.278e-11    -9.961   -10.642    -0.682     (0)  
+   H4SiO4          7.062e-05   8.241e-05    -4.151    -4.084     0.067     52.08
+   H3SiO4-         3.205e-06   2.017e-06    -5.494    -5.695    -0.201     28.72
+   H2SiO4-2        1.092e-10   2.276e-11    -9.962   -10.643    -0.681     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -0.96     -5.24   -4.28  CaSO4
-  Aragonite         0.64     -7.70   -8.34  CaCO3
-  Arcanite         -5.12     -7.00   -1.88  K2SO4
-  Calcite           0.78     -7.70   -8.48  CaCO3
+  Anhydrite        -1.09     -5.37   -4.28  CaSO4
+  Aragonite         0.64     -7.69   -8.34  CaCO3
+  Arcanite         -5.26     -7.14   -1.88  K2SO4
+  Calcite           0.79     -7.69   -8.48  CaCO3
   Chalcedony       -0.52     -4.07   -3.55  SiO2
-  Chrysotile        3.37     35.57   32.20  Mg3Si2O5(OH)4
-  CO2(g)           -3.37     -4.83   -1.47  CO2
-  Dolomite          2.45    -14.64  -17.08  CaMg(CO3)2
-  Epsomite         -2.80     -4.54   -1.74  MgSO4:7H2O
-  Gypsum           -0.67     -5.26   -4.58  CaSO4:2H2O
+  Chrysotile        3.41     35.62   32.20  Mg3Si2O5(OH)4
+  CO2(g)           -3.37     -4.84   -1.47  CO2
+  Dolomite          2.46    -14.63  -17.08  CaMg(CO3)2
+  Epsomite         -2.93     -4.67   -1.74  MgSO4:7H2O
+  Gypsum           -0.80     -5.38   -4.58  CaSO4:2H2O
   H2(g)           -33.39    -36.49   -3.10  H2
   H2O(g)           -1.51     -0.01    1.50  H2O
-  Halite           -2.48     -0.91    1.57  NaCl
-  Hexahydrite      -2.97     -4.53   -1.57  MgSO4:6H2O
-  Kieserite        -3.33     -4.49   -1.16  MgSO4:H2O
-  Mirabilite       -2.40     -3.64   -1.24  Na2SO4:10H2O
+  Halite           -2.49     -0.92    1.57  NaCl
+  Hexahydrite      -3.09     -4.66   -1.57  MgSO4:6H2O
+  Kieserite        -3.45     -4.62   -1.16  MgSO4:H2O
+  Mirabilite       -2.55     -3.79   -1.24  Na2SO4:10H2O
   O2(g)           -16.52    -19.41   -2.89  O2
   Quartz           -0.09     -4.07   -3.98  SiO2
-  Sepiolite         1.16     16.92   15.76  Mg2Si3O7.5OH:3H2O
-  Sepiolite(d)     -1.74     16.92   18.66  Mg2Si3O7.5OH:3H2O
-  SiO2(a)          -1.35     -4.07   -2.71  SiO2
-  Sylvite          -3.53     -2.63    0.90  KCl
-  Talc              6.05     27.45   21.40  Mg3Si4O10(OH)2
-  Thenardite       -3.25     -3.56   -0.30  Na2SO4
+  Sepiolite         1.19     16.95   15.76  Mg2Si3O7.5OH:3H2O
+  Sepiolite(d)     -1.71     16.95   18.66  Mg2Si3O7.5OH:3H2O
+  SiO2(a)          -1.36     -4.07   -2.71  SiO2
+  Sylvite          -3.54     -2.64    0.90  KCl
+  Talc              6.09     27.49   21.40  Mg3Si4O10(OH)2
+  Thenardite       -3.41     -3.71   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -374,8 +377,8 @@ Mixture 1.
 
 	Elements           Molality       Moles
 
-	C                 3.207e-03   3.207e-03
-	Ca                4.350e-03   4.350e-03
+	C                 3.175e-03   3.175e-03
+	Ca                4.334e-03   4.334e-03
 	Cl                1.697e-01   1.697e-01
 	K                 3.173e-03   3.173e-03
 	Mg                1.652e-02   1.652e-02
@@ -385,123 +388,125 @@ Mixture 1.
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.332      Charge balance
-                                       pe  =  10.251      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 18410
+                                       pH  =   7.327      Charge balance
+                                       pe  =  10.559      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 18310
                           Density (g/cm³)  =   1.00526
-                               Volume (L)  =   1.00580
-                        Viscosity (mPa s)  =   0.91134
+                               Volume (L)  =   1.00578
+                        Viscosity (mPa s)  =   0.91373
                         Activity of water  =   0.994
-                 Ionic strength (mol/kgw)  =   2.085e-01
+                 Ionic strength (mol/kgw)  =   2.068e-01
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   3.026e-03
-                       Total CO2 (mol/kg)  =   3.207e-03
+                 Total alkalinity (eq/kg)  =   2.994e-03
+                       Total CO2 (mol/kg)  =   3.175e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.390e-04
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.06
-                               Iterations  =  14
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.07
+                               Iterations  =  16
                                   Total H  = 1.110131e+02
-                                  Total O  = 5.554965e+01
+                                  Total O  = 5.554957e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             3.070e-07   2.160e-07    -6.513    -6.666    -0.153     -3.48
-   H+              5.852e-08   4.658e-08    -7.233    -7.332    -0.099      0.00
+   OH-             3.031e-07   2.134e-07    -6.518    -6.671    -0.152     -3.48
+   H+              5.921e-08   4.715e-08    -7.228    -7.327    -0.099      0.00
    H2O             5.551e+01   9.941e-01     1.744    -0.003     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -119.973  -119.952     0.021     35.46
-C(4)          3.207e-03
-   HCO3-           2.657e-03   1.976e-03    -2.576    -2.704    -0.129     25.45
-   CO2             2.017e-04   2.082e-04    -3.695    -3.682     0.014     34.43
-   MgHCO3+         1.592e-04   1.139e-04    -3.798    -3.944    -0.146      5.72
-   NaHCO3          1.274e-04   1.422e-04    -3.895    -3.847     0.048     28.00
-   CaHCO3+         4.217e-05   3.180e-05    -4.375    -4.498    -0.123      9.88
-   MgCO3           8.913e-06   9.351e-06    -5.050    -5.029     0.021    -17.09
-   CO3-2           6.506e-06   1.989e-06    -5.187    -5.701    -0.515     -2.16
-   CaCO3           4.019e-06   4.216e-06    -5.396    -5.375     0.021    -14.60
-   (CO2)2          7.580e-10   7.953e-10    -9.120    -9.099     0.021     68.87
-Ca            4.350e-03
-   Ca+2            3.970e-03   1.262e-03    -2.401    -2.899    -0.498    -17.20
-   CaSO4           3.335e-04   3.499e-04    -3.477    -3.456     0.021      7.50
-   CaHCO3+         4.217e-05   3.180e-05    -4.375    -4.498    -0.123      9.88
-   CaCO3           4.019e-06   4.216e-06    -5.396    -5.375     0.021    -14.60
-   CaOH+           6.000e-09   4.469e-09    -8.222    -8.350    -0.128     (0)  
-   CaHSO4+         1.439e-10   1.071e-10    -9.842    -9.970    -0.128     (0)  
+   CH4             0.000e+00   0.000e+00  -122.395  -122.374     0.021     35.46
+C(4)          3.175e-03
+   HCO3-           2.615e-03   1.945e-03    -2.583    -2.711    -0.128     25.15
+   CO2             2.010e-04   2.074e-04    -3.697    -3.683     0.014     34.43
+   NaHCO3          1.640e-04   1.804e-04    -3.785    -3.744     0.041     31.73
+   MgHCO3+         1.611e-04   1.153e-04    -3.793    -3.938    -0.145      5.72
+   CaHCO3+         1.284e-05   9.686e-06    -4.892    -5.014    -0.122    122.85
+   MgCO3           8.919e-06   9.354e-06    -5.050    -5.029     0.021    -17.09
+   CO3-2           6.313e-06   1.935e-06    -5.200    -5.713    -0.514     -2.19
+   CaCO3           4.001e-06   4.196e-06    -5.398    -5.377     0.021    -14.60
+   KHCO3           1.915e-06   1.924e-06    -5.718    -5.716     0.002     41.03
+   (CO2)2          7.531e-10   7.898e-10    -9.123    -9.102     0.021     68.87
+Ca            4.334e-03
+   Ca+2            4.054e-03   1.291e-03    -2.392    -2.889    -0.497    -17.20
+   CaSO4           2.639e-04   2.767e-04    -3.579    -3.558     0.021      7.50
+   CaHCO3+         1.284e-05   9.686e-06    -4.892    -5.014    -0.122    122.85
+   CaCO3           4.001e-06   4.196e-06    -5.398    -5.377     0.021    -14.60
+   CaOH+           6.063e-09   4.517e-09    -8.217    -8.345    -0.128     (0)  
+   CaHSO4+         1.151e-10   8.576e-11    -9.939   -10.067    -0.128     (0)  
 Cl            1.697e-01
-   Cl-             1.697e-01   1.209e-01    -0.770    -0.917    -0.147     18.47
-   HCl             1.582e-09   1.940e-09    -8.801    -8.712     0.089     (0)  
-H(0)          9.199e-39
-   H2              4.600e-39   4.826e-39   -38.337   -38.316     0.021     28.61
+   Cl-             1.697e-01   1.210e-01    -0.770    -0.917    -0.147     18.46
+   HCl             1.605e-09   1.965e-09    -8.795    -8.707     0.088     (0)  
+H(0)          2.284e-39
+   H2              1.142e-39   1.198e-39   -38.942   -38.922     0.021     28.61
 K             3.173e-03
-   K+              3.152e-03   2.233e-03    -2.501    -2.651    -0.150      9.35
-   KSO4-           2.180e-05   1.280e-05    -4.662    -4.893    -0.231     28.29
+   K+              3.122e-03   2.214e-03    -2.506    -2.655    -0.149      9.35
+   KSO4-           4.986e-05   4.061e-05    -4.302    -4.391    -0.089     14.03
+   KHCO3           1.915e-06   1.924e-06    -5.718    -5.716     0.002     41.03
 Mg            1.652e-02
-   Mg+2            1.450e-02   4.926e-03    -1.839    -2.307    -0.469    -20.91
-   MgSO4           1.827e-03   2.012e-03    -2.738    -2.696     0.042     -0.83
-   MgHCO3+         1.592e-04   1.139e-04    -3.798    -3.944    -0.146      5.72
-   Mg(SO4)2-2      2.876e-05   1.033e-05    -4.541    -4.986    -0.445     44.98
-   MgCO3           8.913e-06   9.351e-06    -5.050    -5.029     0.021    -17.09
-   MgOH+           5.008e-07   3.817e-07    -6.300    -6.418    -0.118     (0)  
+   Mg+2            1.488e-02   5.065e-03    -1.827    -2.295    -0.468    -20.91
+   MgSO4           1.454e-03   1.599e-03    -2.838    -2.796     0.041     -7.92
+   MgHCO3+         1.611e-04   1.153e-04    -3.793    -3.938    -0.145      5.72
+   Mg(SO4)2-2      1.764e-05   6.349e-06    -4.754    -5.197    -0.444     24.64
+   MgCO3           8.919e-06   9.354e-06    -5.050    -5.029     0.021    -17.09
+   MgOH+           5.085e-07   3.878e-07    -6.294    -6.411    -0.118     (0)  
 Na            1.456e-01
-   Na+             1.444e-01   1.077e-01    -0.841    -0.968    -0.127     -0.92
-   NaSO4-          1.121e-03   6.560e-04    -2.950    -3.183    -0.233     17.35
-   NaHCO3          1.274e-04   1.422e-04    -3.895    -3.847     0.048     28.00
-   NaOH            2.217e-18   2.326e-18   -17.654   -17.633     0.021     (0)  
-O(0)          3.372e-16
-   O2              1.686e-16   1.769e-16   -15.773   -15.752     0.021     30.40
+   Na+             1.427e-01   1.065e-01    -0.846    -0.973    -0.127     -0.92
+   NaSO4-          2.801e-03   2.089e-03    -2.553    -2.680    -0.127     -0.72
+   NaHCO3          1.640e-04   1.804e-04    -3.785    -3.744     0.041     31.73
+   NaOH            2.166e-18   2.272e-18   -17.664   -17.644     0.021     (0)  
+O(0)          5.475e-15
+   O2              2.738e-15   2.871e-15   -14.563   -14.542     0.021     30.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -116.991  -117.144    -0.153     21.00
-   H2S             0.000e+00   0.000e+00  -117.555  -117.534     0.021     36.27
-   S-2             0.000e+00   0.000e+00  -122.198  -122.730    -0.532     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -236.368  -236.347     0.021     30.09
+   HS-             0.000e+00   0.000e+00  -119.519  -119.672    -0.152     21.00
+   H2S             0.000e+00   0.000e+00  -120.077  -120.056     0.021     36.27
+   S-2             0.000e+00   0.000e+00  -124.732  -125.263    -0.531     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -241.412  -241.391     0.021     30.09
 S(6)          8.777e-03
-   SO4-2           5.416e-03   1.560e-03    -2.266    -2.807    -0.541     16.39
-   MgSO4           1.827e-03   2.012e-03    -2.738    -2.696     0.042     -0.83
-   NaSO4-          1.121e-03   6.560e-04    -2.950    -3.183    -0.233     17.35
-   CaSO4           3.335e-04   3.499e-04    -3.477    -3.456     0.021      7.50
-   Mg(SO4)2-2      2.876e-05   1.033e-05    -4.541    -4.986    -0.445     44.98
-   KSO4-           2.180e-05   1.280e-05    -4.662    -4.893    -0.231     28.29
-   HSO4-           9.484e-09   7.063e-09    -8.023    -8.151    -0.128     40.66
-   CaHSO4+         1.439e-10   1.071e-10    -9.842    -9.970    -0.128     (0)  
+   SO4-2           4.174e-03   1.206e-03    -2.379    -2.919    -0.539     28.42
+   NaSO4-          2.801e-03   2.089e-03    -2.553    -2.680    -0.127     -0.72
+   MgSO4           1.454e-03   1.599e-03    -2.838    -2.796     0.041     -7.92
+   CaSO4           2.639e-04   2.767e-04    -3.579    -3.558     0.021      7.50
+   KSO4-           4.986e-05   4.061e-05    -4.302    -4.391    -0.089     14.03
+   Mg(SO4)2-2      1.764e-05   6.349e-06    -4.754    -5.197    -0.444     24.64
+   HSO4-           7.416e-09   5.526e-09    -8.130    -8.258    -0.128     40.66
+   CaHSO4+         1.151e-10   8.576e-11    -9.939   -10.067    -0.128     (0)  
 Si            2.215e-05
-   H4SiO4          2.205e-05   2.313e-05    -4.657    -4.636     0.021     52.08
-   H3SiO4-         1.024e-07   7.322e-08    -6.990    -7.135    -0.146     28.37
-   H2SiO4-2        3.497e-13   1.069e-13   -12.456   -12.971    -0.515     (0)  
+   H4SiO4          2.205e-05   2.312e-05    -4.657    -4.636     0.021     52.08
+   H3SiO4-         1.010e-07   7.231e-08    -6.996    -7.141    -0.145     28.37
+   H2SiO4-2        3.404e-13   1.043e-13   -12.468   -12.982    -0.514     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -1.43     -5.71   -4.28  CaSO4
-  Aragonite        -0.26     -8.60   -8.34  CaCO3
-  Arcanite         -6.23     -8.11   -1.88  K2SO4
+  Anhydrite        -1.53     -5.81   -4.28  CaSO4
+  Aragonite        -0.27     -8.60   -8.34  CaCO3
+  Arcanite         -6.35     -8.23   -1.88  K2SO4
   Calcite          -0.12     -8.60   -8.48  CaCO3
-  CH4(g)         -117.15   -119.95   -2.80  CH4
+  CH4(g)         -119.57   -122.37   -2.80  CH4
   Chalcedony       -1.08     -4.63   -3.55  SiO2
-  Chrysotile       -4.41     27.79   32.20  Mg3Si2O5(OH)4
+  Chrysotile       -4.40     27.80   32.20  Mg3Si2O5(OH)4
   CO2(g)           -2.21     -3.68   -1.47  CO2
   Dolomite          0.47    -16.61  -17.08  CaMg(CO3)2
-  Epsomite         -3.39     -5.13   -1.74  MgSO4:7H2O
-  Gypsum           -1.13     -5.71   -4.58  CaSO4:2H2O
-  H2(g)           -35.22    -38.32   -3.10  H2
+  Epsomite         -3.49     -5.23   -1.74  MgSO4:7H2O
+  Gypsum           -1.23     -5.81   -4.58  CaSO4:2H2O
+  H2(g)           -35.82    -38.92   -3.10  H2
   H2O(g)           -1.51     -0.00    1.50  H2O
-  H2S(g)         -116.54   -124.48   -7.94  H2S
+  H2S(g)         -119.06   -127.00   -7.94  H2S
   Halite           -3.46     -1.89    1.57  NaCl
-  Hexahydrite      -3.56     -5.13   -1.57  MgSO4:6H2O
-  Kieserite        -3.96     -5.12   -1.16  MgSO4:H2O
-  Mirabilite       -3.53     -4.77   -1.24  Na2SO4:10H2O
-  O2(g)           -12.86    -15.75   -2.89  O2
+  Hexahydrite      -3.66     -5.23   -1.57  MgSO4:6H2O
+  Kieserite        -4.06     -5.22   -1.16  MgSO4:H2O
+  Mirabilite       -3.65     -4.89   -1.24  Na2SO4:10H2O
+  O2(g)           -11.65    -14.54   -2.89  O2
   Quartz           -0.65     -4.63   -3.98  SiO2
   Sepiolite        -4.95     10.81   15.76  Mg2Si3O7.5OH:3H2O
   Sepiolite(d)     -7.85     10.81   18.66  Mg2Si3O7.5OH:3H2O
   SiO2(a)          -1.92     -4.63   -2.71  SiO2
-  Sulfur          -87.25    -82.37    4.88  S
+  Sulfur          -89.17    -84.28    4.88  S
   Sylvite          -4.47     -3.57    0.90  KCl
   Talc             -2.86     18.54   21.40  Mg3Si4O10(OH)2
-  Thenardite       -4.44     -4.74   -0.30  Na2SO4
+  Thenardite       -4.56     -4.86   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -540,141 +545,143 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.985e+00  -1.538e-02
-Dolomite          0.00   -17.08    -17.08    1.000e+01   1.001e+01   7.764e-03
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.985e+00  -1.541e-02
+Dolomite          0.00   -17.08    -17.08    1.000e+01   1.001e+01   7.786e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 3.056e-03   3.056e-03
+	C                 3.016e-03   3.016e-03
 	Ca                1.196e-02   1.196e-02
 	Cl                1.697e-01   1.697e-01
 	K                 3.173e-03   3.173e-03
-	Mg                8.756e-03   8.756e-03
+	Mg                8.734e-03   8.734e-03
 	Na                1.456e-01   1.456e-01
 	S                 8.777e-03   8.777e-03
 	Si                2.215e-05   2.215e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.057      Charge balance
-                                       pe  =  10.649      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 18495
+                                       pH  =   7.047      Charge balance
+                                       pe  =  10.927      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 18479
                           Density (g/cm³)  =   1.00533
                                Volume (L)  =   1.00583
-                        Viscosity (mPa s)  =   0.91039
+                        Viscosity (mPa s)  =   0.91249
                         Activity of water  =   0.994
-                 Ionic strength (mol/kgw)  =   2.089e-01
+                 Ionic strength (mol/kgw)  =   2.071e-01
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   2.723e-03
-                       Total CO2 (mol/kg)  =   3.056e-03
+                 Total alkalinity (eq/kg)  =   2.677e-03
+                       Total CO2 (mol/kg)  =   3.016e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.390e-04
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.06
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.07
                                Iterations  =   5
                                   Total H  = 1.110131e+02
-                                  Total O  = 5.554920e+01
+                                  Total O  = 5.554910e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.631e-07   1.147e-07    -6.788    -6.940    -0.153     -3.48
-   H+              1.102e-07   8.770e-08    -6.958    -7.057    -0.099      0.00
+   OH-             1.593e-07   1.121e-07    -6.798    -6.950    -0.152     -3.48
+   H+              1.127e-07   8.972e-08    -6.948    -7.047    -0.099      0.00
    H2O             5.551e+01   9.941e-01     1.744    -0.003     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -120.722  -120.701     0.021     35.46
-C(4)          3.056e-03
-   HCO3-           2.405e-03   1.788e-03    -2.619    -2.748    -0.129     25.45
-   CO2             3.436e-04   3.547e-04    -3.464    -3.450     0.014     34.43
-   NaHCO3          1.152e-04   1.287e-04    -3.938    -3.890     0.048     28.00
-   CaHCO3+         1.048e-04   7.901e-05    -3.980    -4.102    -0.123      9.88
-   MgHCO3+         7.615e-05   5.445e-05    -4.118    -4.264    -0.146      5.72
-   CaCO3           5.302e-06   5.563e-06    -5.276    -5.255     0.021    -14.60
-   CO3-2           3.130e-06   9.562e-07    -5.505    -6.019    -0.515     -2.15
-   MgCO3           2.263e-06   2.375e-06    -5.645    -5.624     0.021    -17.09
-   (CO2)2          2.201e-09   2.309e-09    -8.657    -8.637     0.021     68.87
+   CH4             0.000e+00   0.000e+00  -122.863  -122.842     0.021     35.46
+C(4)          3.016e-03
+   HCO3-           2.394e-03   1.781e-03    -2.621    -2.749    -0.128     25.15
+   CO2             3.502e-04   3.614e-04    -3.456    -3.442     0.014     34.43
+   NaHCO3          1.500e-04   1.650e-04    -3.824    -3.782     0.041     31.73
+   MgHCO3+         7.783e-05   5.571e-05    -4.109    -4.254    -0.145      5.72
+   CaHCO3+         3.239e-05   2.444e-05    -4.490    -4.612    -0.122    122.85
+   CaCO3           5.304e-06   5.563e-06    -5.275    -5.255     0.021    -14.60
+   CO3-2           3.038e-06   9.308e-07    -5.517    -6.031    -0.514     -2.19
+   MgCO3           2.264e-06   2.375e-06    -5.645    -5.624     0.021    -17.09
+   KHCO3           1.752e-06   1.760e-06    -5.756    -5.754     0.002     41.03
+   (CO2)2          2.285e-09   2.397e-09    -8.641    -8.620     0.021     68.87
 Ca            1.196e-02
-   Ca+2            1.090e-02   3.463e-03    -1.962    -2.461    -0.498    -17.20
-   CaSO4           9.480e-04   9.947e-04    -3.023    -3.002     0.021      7.50
-   CaHCO3+         1.048e-04   7.901e-05    -3.980    -4.102    -0.123      9.88
-   CaCO3           5.302e-06   5.563e-06    -5.276    -5.255     0.021    -14.60
-   CaOH+           8.748e-09   6.515e-09    -8.058    -8.186    -0.128     (0)  
-   CaHSO4+         7.700e-10   5.734e-10    -9.113    -9.242    -0.128     (0)  
+   Ca+2            1.118e-02   3.558e-03    -1.952    -2.449    -0.497    -17.20
+   CaSO4           7.475e-04   7.840e-04    -3.126    -3.106     0.021      7.50
+   CaHCO3+         3.239e-05   2.444e-05    -4.490    -4.612    -0.122    122.85
+   CaCO3           5.304e-06   5.563e-06    -5.275    -5.255     0.021    -14.60
+   CaOH+           8.781e-09   6.542e-09    -8.056    -8.184    -0.128     (0)  
+   CaHSO4+         6.206e-10   4.624e-10    -9.207    -9.335    -0.128     (0)  
 Cl            1.697e-01
-   Cl-             1.697e-01   1.209e-01    -0.770    -0.918    -0.147     18.47
-   HCl             2.976e-09   3.652e-09    -8.526    -8.437     0.089     (0)  
-H(0)          5.232e-39
-   H2              2.616e-39   2.745e-39   -38.582   -38.561     0.021     28.61
+   Cl-             1.697e-01   1.210e-01    -0.770    -0.917    -0.147     18.47
+   HCl             3.053e-09   3.740e-09    -8.515    -8.427     0.088     (0)  
+H(0)          1.519e-39
+   H2              7.594e-40   7.965e-40   -39.120   -39.099     0.021     28.61
 K             3.173e-03
-   K+              3.151e-03   2.232e-03    -2.502    -2.651    -0.150      9.35
-   KSO4-           2.258e-05   1.325e-05    -4.646    -4.878    -0.231     28.30
-Mg            8.756e-03
-   Mg+2            7.661e-03   2.602e-03    -2.116    -2.585    -0.469    -20.91
-   MgSO4           9.996e-04   1.101e-03    -3.000    -2.958     0.042     -0.83
-   MgHCO3+         7.615e-05   5.445e-05    -4.118    -4.264    -0.146      5.72
-   Mg(SO4)2-2      1.631e-05   5.855e-06    -4.788    -5.232    -0.445     44.98
-   MgCO3           2.263e-06   2.375e-06    -5.645    -5.624     0.021    -17.09
-   MgOH+           1.405e-07   1.071e-07    -6.852    -6.970    -0.118     (0)  
+   K+              3.120e-03   2.213e-03    -2.506    -2.655    -0.149      9.35
+   KSO4-           5.122e-05   4.172e-05    -4.291    -4.380    -0.089     14.03
+   KHCO3           1.752e-06   1.760e-06    -5.756    -5.754     0.002     41.03
+Mg            8.734e-03
+   Mg+2            7.855e-03   2.674e-03    -2.105    -2.573    -0.468    -20.91
+   MgSO4           7.885e-04   8.675e-04    -3.103    -3.062     0.041     -7.92
+   MgHCO3+         7.783e-05   5.571e-05    -4.109    -4.254    -0.145      5.72
+   Mg(SO4)2-2      9.841e-06   3.541e-06    -5.007    -5.451    -0.444     24.65
+   MgCO3           2.264e-06   2.375e-06    -5.645    -5.624     0.021    -17.09
+   MgOH+           1.410e-07   1.076e-07    -6.851    -6.968    -0.118     (0)  
 Na            1.456e-01
-   Na+             1.443e-01   1.076e-01    -0.841    -0.968    -0.127     -0.92
-   NaSO4-          1.162e-03   6.792e-04    -2.935    -3.168    -0.233     17.35
-   NaHCO3          1.152e-04   1.287e-04    -3.938    -3.890     0.048     28.00
-   NaOH            1.177e-18   1.235e-18   -17.929   -17.908     0.021     (0)  
-O(0)          1.042e-15
-   O2              5.211e-16   5.468e-16   -15.283   -15.262     0.021     30.40
+   Na+             1.426e-01   1.064e-01    -0.846    -0.973    -0.127     -0.92
+   NaSO4-          2.878e-03   2.146e-03    -2.541    -2.668    -0.127     -0.71
+   NaHCO3          1.500e-04   1.650e-04    -3.824    -3.782     0.041     31.73
+   NaOH            1.138e-18   1.193e-18   -17.944   -17.923     0.021     (0)  
+O(0)          1.238e-14
+   O2              6.191e-15   6.493e-15   -14.208   -14.188     0.021     30.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -117.682  -117.834    -0.153     21.00
-   H2S             0.000e+00   0.000e+00  -117.971  -117.950     0.021     36.27
-   S-2             0.000e+00   0.000e+00  -123.163  -123.695    -0.533     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -237.199  -237.178     0.021     30.09
+   HS-             0.000e+00   0.000e+00  -119.936  -120.089    -0.152     21.00
+   H2S             0.000e+00   0.000e+00  -120.215  -120.194     0.021     36.27
+   S-2             0.000e+00   0.000e+00  -125.428  -125.960    -0.531     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -241.688  -241.667     0.021     30.09
 S(6)          8.777e-03
-   SO4-2           5.613e-03   1.615e-03    -2.251    -2.792    -0.541     16.39
-   NaSO4-          1.162e-03   6.792e-04    -2.935    -3.168    -0.233     17.35
-   MgSO4           9.996e-04   1.101e-03    -3.000    -2.958     0.042     -0.83
-   CaSO4           9.480e-04   9.947e-04    -3.023    -3.002     0.021      7.50
-   KSO4-           2.258e-05   1.325e-05    -4.646    -4.878    -0.231     28.30
-   Mg(SO4)2-2      1.631e-05   5.855e-06    -4.788    -5.232    -0.445     44.98
-   HSO4-           1.849e-08   1.377e-08    -7.733    -7.861    -0.128     40.66
-   CaHSO4+         7.700e-10   5.734e-10    -9.113    -9.242    -0.128     (0)  
+   SO4-2           4.293e-03   1.239e-03    -2.367    -2.907    -0.540     28.43
+   NaSO4-          2.878e-03   2.146e-03    -2.541    -2.668    -0.127     -0.71
+   MgSO4           7.885e-04   8.675e-04    -3.103    -3.062     0.041     -7.92
+   CaSO4           7.475e-04   7.840e-04    -3.126    -3.106     0.021      7.50
+   KSO4-           5.122e-05   4.172e-05    -4.291    -4.380    -0.089     14.03
+   Mg(SO4)2-2      9.841e-06   3.541e-06    -5.007    -5.451    -0.444     24.65
+   HSO4-           1.451e-08   1.081e-08    -7.838    -7.966    -0.128     40.66
+   CaHSO4+         6.206e-10   4.624e-10    -9.207    -9.335    -0.128     (0)  
 Si            2.215e-05
-   H4SiO4          2.209e-05   2.318e-05    -4.656    -4.635     0.021     52.08
-   H3SiO4-         5.450e-08   3.897e-08    -7.264    -7.409    -0.146     28.38
-   H2SiO4-2        9.894e-14   3.023e-14   -13.005   -13.520    -0.515     (0)  
+   H4SiO4          2.209e-05   2.317e-05    -4.656    -4.635     0.021     52.08
+   H3SiO4-         5.321e-08   3.808e-08    -7.274    -7.419    -0.145     28.37
+   H2SiO4-2        9.424e-14   2.887e-14   -13.026   -13.540    -0.514     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -0.97     -5.25   -4.28  CaSO4
+  Anhydrite        -1.08     -5.36   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
-  Arcanite         -6.21     -8.09   -1.88  K2SO4
+  Arcanite         -6.34     -8.22   -1.88  K2SO4
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)         -117.90   -120.70   -2.80  CH4
+  CH4(g)         -120.04   -122.84   -2.80  CH4
   Chalcedony       -1.08     -4.63   -3.55  SiO2
-  Chrysotile       -6.89     25.32   32.20  Mg3Si2O5(OH)4
-  CO2(g)           -1.98     -3.45   -1.47  CO2
+  Chrysotile       -6.91     25.29   32.20  Mg3Si2O5(OH)4
+  CO2(g)           -1.97     -3.44   -1.47  CO2
   Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
-  Epsomite         -3.66     -5.39   -1.74  MgSO4:7H2O
-  Gypsum           -0.68     -5.26   -4.58  CaSO4:2H2O
-  H2(g)           -35.46    -38.56   -3.10  H2
+  Epsomite         -3.76     -5.50   -1.74  MgSO4:7H2O
+  Gypsum           -0.78     -5.36   -4.58  CaSO4:2H2O
+  H2(g)           -36.00    -39.10   -3.10  H2
   H2O(g)           -1.51     -0.00    1.50  H2O
-  H2S(g)         -116.96   -124.89   -7.94  H2S
+  H2S(g)         -119.20   -127.14   -7.94  H2S
   Halite           -3.46     -1.89    1.57  NaCl
-  Hexahydrite      -3.83     -5.39   -1.57  MgSO4:6H2O
-  Kieserite        -4.22     -5.38   -1.16  MgSO4:H2O
-  Mirabilite       -3.51     -4.75   -1.24  Na2SO4:10H2O
-  O2(g)           -12.37    -15.26   -2.89  O2
+  Hexahydrite      -3.93     -5.50   -1.57  MgSO4:6H2O
+  Kieserite        -4.32     -5.48   -1.16  MgSO4:H2O
+  Mirabilite       -3.64     -4.88   -1.24  Na2SO4:10H2O
+  O2(g)           -11.30    -14.19   -2.89  O2
   Quartz           -0.65     -4.63   -3.98  SiO2
-  Sepiolite        -6.60      9.16   15.76  Mg2Si3O7.5OH:3H2O
-  Sepiolite(d)     -9.50      9.16   18.66  Mg2Si3O7.5OH:3H2O
+  Sepiolite        -6.62      9.14   15.76  Mg2Si3O7.5OH:3H2O
+  Sepiolite(d)     -9.52      9.14   18.66  Mg2Si3O7.5OH:3H2O
   SiO2(a)          -1.92     -4.63   -2.71  SiO2
-  Sulfur          -87.42    -82.54    4.88  S
+  Sulfur          -89.13    -84.25    4.88  S
   Sylvite          -4.47     -3.57    0.90  KCl
-  Talc             -5.34     16.06   21.40  Mg3Si4O10(OH)2
-  Thenardite       -4.43     -4.73   -0.30  Na2SO4
+  Talc             -5.36     16.03   21.40  Mg3Si4O10(OH)2
+  Thenardite       -4.55     -4.85   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -712,14 +719,14 @@ Using pure phase assemblage 2.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Calcite           0.00    -8.48     -8.48    1.000e+01   1.000e+01  -4.542e-05
+Calcite           0.00    -8.48     -8.48    1.000e+01   1.000e+01  -4.587e-05
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 3.252e-03   3.252e-03
-	Ca                4.396e-03   4.395e-03
+	C                 3.221e-03   3.220e-03
+	Ca                4.380e-03   4.380e-03
 	Cl                1.697e-01   1.697e-01
 	K                 3.173e-03   3.173e-03
 	Mg                1.652e-02   1.652e-02
@@ -729,123 +736,125 @@ Calcite           0.00    -8.48     -8.48    1.000e+01   1.000e+01  -4.542e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.437      Charge balance
-                                       pe  =  10.272      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 18414
-                          Density (g/cm³)  =   1.00526
-                               Volume (L)  =   1.00579
-                        Viscosity (mPa s)  =   0.91136
+                                       pH  =   7.433      Charge balance
+                                       pe  =  10.542      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 18315
+                          Density (g/cm³)  =   1.00527
+                               Volume (L)  =   1.00578
+                        Viscosity (mPa s)  =   0.91380
                         Activity of water  =   0.994
-                 Ionic strength (mol/kgw)  =   2.086e-01
+                 Ionic strength (mol/kgw)  =   2.069e-01
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   3.116e-03
-                       Total CO2 (mol/kg)  =   3.252e-03
+                 Total alkalinity (eq/kg)  =   3.085e-03
+                       Total CO2 (mol/kg)  =   3.221e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.390e-04
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.06
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.07
                                Iterations  =   3
                                   Total H  = 1.110131e+02
-                                  Total O  = 5.554979e+01
+                                  Total O  = 5.554971e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             3.910e-07   2.751e-07    -6.408    -6.561    -0.153     -3.48
-   H+              4.596e-08   3.658e-08    -7.338    -7.437    -0.099      0.00
+   OH-             3.874e-07   2.728e-07    -6.412    -6.564    -0.152     -3.48
+   H+              4.632e-08   3.688e-08    -7.334    -7.433    -0.099      0.00
    H2O             5.551e+01   9.941e-01     1.744    -0.003     0.000     18.07
 C(-4)         0.000e+00
-   CH4             0.000e+00   0.000e+00  -121.070  -121.050     0.021     35.46
-C(4)          3.252e-03
-   HCO3-           2.727e-03   2.027e-03    -2.564    -2.693    -0.129     25.45
-   MgHCO3+         1.633e-04   1.168e-04    -3.787    -3.933    -0.146      5.72
-   CO2             1.625e-04   1.677e-04    -3.789    -3.775     0.014     34.43
-   NaHCO3          1.307e-04   1.460e-04    -3.884    -3.836     0.048     28.00
-   CaHCO3+         4.370e-05   3.296e-05    -4.359    -4.482    -0.123      9.88
-   MgCO3           1.164e-05   1.221e-05    -4.934    -4.913     0.021    -17.09
-   CO3-2           8.503e-06   2.599e-06    -5.070    -5.585    -0.515     -2.16
-   CaCO3           5.302e-06   5.563e-06    -5.276    -5.255     0.021    -14.60
-   (CO2)2          4.923e-10   5.165e-10    -9.308    -9.287     0.021     68.87
-Ca            4.396e-03
-   Ca+2            4.010e-03   1.274e-03    -2.397    -2.895    -0.498    -17.20
-   CaSO4           3.367e-04   3.532e-04    -3.473    -3.452     0.021      7.50
-   CaHCO3+         4.370e-05   3.296e-05    -4.359    -4.482    -0.123      9.88
-   CaCO3           5.302e-06   5.563e-06    -5.276    -5.255     0.021    -14.60
-   CaOH+           7.715e-09   5.746e-09    -8.113    -8.241    -0.128     (0)  
-   CaHSO4+         1.140e-10   8.493e-11    -9.943   -10.071    -0.128     (0)  
+   CH4             0.000e+00   0.000e+00  -123.201  -123.180     0.021     35.46
+C(4)          3.221e-03
+   HCO3-           2.685e-03   1.998e-03    -2.571    -2.699    -0.128     25.15
+   NaHCO3          1.684e-04   1.852e-04    -3.774    -3.732     0.041     31.73
+   MgHCO3+         1.653e-04   1.183e-04    -3.782    -3.927    -0.145      5.72
+   CO2             1.615e-04   1.666e-04    -3.792    -3.778     0.014     34.43
+   CaHCO3+         1.332e-05   1.005e-05    -4.876    -4.998    -0.122    122.85
+   MgCO3           1.170e-05   1.227e-05    -4.932    -4.911     0.021    -17.09
+   CO3-2           8.287e-06   2.540e-06    -5.082    -5.595    -0.514     -2.19
+   CaCO3           5.304e-06   5.563e-06    -5.275    -5.255     0.021    -14.60
+   KHCO3           1.967e-06   1.975e-06    -5.706    -5.704     0.002     41.03
+   (CO2)2          4.860e-10   5.097e-10    -9.313    -9.293     0.021     68.87
+Ca            4.380e-03
+   Ca+2            4.095e-03   1.304e-03    -2.388    -2.885    -0.497    -17.20
+   CaSO4           2.664e-04   2.794e-04    -3.574    -3.554     0.021      7.50
+   CaHCO3+         1.332e-05   1.005e-05    -4.876    -4.998    -0.122    122.85
+   CaCO3           5.304e-06   5.563e-06    -5.275    -5.255     0.021    -14.60
+   CaOH+           7.828e-09   5.832e-09    -8.106    -8.234    -0.128     (0)  
+   CaHSO4+         9.093e-11   6.775e-11   -10.041   -10.169    -0.128     (0)  
 Cl            1.697e-01
-   Cl-             1.697e-01   1.209e-01    -0.770    -0.918    -0.147     18.47
-   HCl             1.242e-09   1.524e-09    -8.906    -8.817     0.089     (0)  
-H(0)          5.161e-39
-   H2              2.581e-39   2.708e-39   -38.588   -38.567     0.021     28.61
+   Cl-             1.697e-01   1.210e-01    -0.770    -0.917    -0.147     18.47
+   HCl             1.255e-09   1.538e-09    -8.901    -8.813     0.088     (0)  
+H(0)          1.517e-39
+   H2              7.584e-40   7.954e-40   -39.120   -39.099     0.021     28.61
 K             3.173e-03
-   K+              3.152e-03   2.233e-03    -2.501    -2.651    -0.150      9.35
-   KSO4-           2.179e-05   1.280e-05    -4.662    -4.893    -0.231     28.29
+   K+              3.122e-03   2.214e-03    -2.506    -2.655    -0.149      9.35
+   KSO4-           4.984e-05   4.060e-05    -4.302    -4.392    -0.089     14.03
+   KHCO3           1.967e-06   1.975e-06    -5.706    -5.704     0.002     41.03
 Mg            1.652e-02
-   Mg+2            1.449e-02   4.924e-03    -1.839    -2.308    -0.469    -20.91
-   MgSO4           1.826e-03   2.010e-03    -2.739    -2.697     0.042     -0.83
-   MgHCO3+         1.633e-04   1.168e-04    -3.787    -3.933    -0.146      5.72
-   Mg(SO4)2-2      2.873e-05   1.032e-05    -4.542    -4.986    -0.445     44.98
-   MgCO3           1.164e-05   1.221e-05    -4.934    -4.913     0.021    -17.09
-   MgOH+           6.374e-07   4.858e-07    -6.196    -6.314    -0.118     (0)  
+   Mg+2            1.487e-02   5.063e-03    -1.828    -2.296    -0.468    -20.91
+   MgSO4           1.452e-03   1.598e-03    -2.838    -2.797     0.041     -7.92
+   MgHCO3+         1.653e-04   1.183e-04    -3.782    -3.927    -0.145      5.72
+   Mg(SO4)2-2      1.762e-05   6.342e-06    -4.754    -5.198    -0.444     24.64
+   MgCO3           1.170e-05   1.227e-05    -4.932    -4.911     0.021    -17.09
+   MgOH+           6.496e-07   4.954e-07    -6.187    -6.305    -0.118     (0)  
 Na            1.456e-01
-   Na+             1.444e-01   1.077e-01    -0.841    -0.968    -0.127     -0.92
-   NaSO4-          1.121e-03   6.558e-04    -2.950    -3.183    -0.233     17.35
-   NaHCO3          1.307e-04   1.460e-04    -3.884    -3.836     0.048     28.00
-   NaOH            2.823e-18   2.962e-18   -17.549   -17.528     0.021     (0)  
-O(0)          1.071e-15
-   O2              5.356e-16   5.619e-16   -15.271   -15.250     0.021     30.40
+   Na+             1.427e-01   1.064e-01    -0.846    -0.973    -0.127     -0.92
+   NaSO4-          2.800e-03   2.088e-03    -2.553    -2.680    -0.127     -0.72
+   NaHCO3          1.684e-04   1.852e-04    -3.774    -3.732     0.041     31.73
+   NaOH            2.769e-18   2.904e-18   -17.558   -17.537     0.021     (0)  
+O(0)          1.242e-14
+   O2              6.209e-15   6.512e-15   -14.207   -14.186     0.021     30.40
 S(-2)         0.000e+00
-   HS-             0.000e+00   0.000e+00  -118.101  -118.253    -0.153     21.00
-   H2S             0.000e+00   0.000e+00  -118.769  -118.748     0.021     36.27
-   S-2             0.000e+00   0.000e+00  -123.202  -123.734    -0.532     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -238.796  -238.775     0.021     30.09
+   HS-             0.000e+00   0.000e+00  -120.337  -120.489    -0.152     21.00
+   H2S             0.000e+00   0.000e+00  -121.002  -120.981     0.021     36.27
+   S-2             0.000e+00   0.000e+00  -125.443  -125.974    -0.531     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -243.261  -243.240     0.021     30.09
 S(6)          8.777e-03
-   SO4-2           5.415e-03   1.559e-03    -2.266    -2.807    -0.541     16.39
-   MgSO4           1.826e-03   2.010e-03    -2.739    -2.697     0.042     -0.83
-   NaSO4-          1.121e-03   6.558e-04    -2.950    -3.183    -0.233     17.35
-   CaSO4           3.367e-04   3.532e-04    -3.473    -3.452     0.021      7.50
-   Mg(SO4)2-2      2.873e-05   1.032e-05    -4.542    -4.986    -0.445     44.98
-   KSO4-           2.179e-05   1.280e-05    -4.662    -4.893    -0.231     28.29
-   HSO4-           7.445e-09   5.545e-09    -8.128    -8.256    -0.128     40.66
-   CaHSO4+         1.140e-10   8.493e-11    -9.943   -10.071    -0.128     (0)  
+   SO4-2           4.174e-03   1.205e-03    -2.379    -2.919    -0.539     28.43
+   NaSO4-          2.800e-03   2.088e-03    -2.553    -2.680    -0.127     -0.72
+   MgSO4           1.452e-03   1.598e-03    -2.838    -2.797     0.041     -7.92
+   CaSO4           2.664e-04   2.794e-04    -3.574    -3.554     0.021      7.50
+   KSO4-           4.984e-05   4.060e-05    -4.302    -4.392    -0.089     14.03
+   Mg(SO4)2-2      1.762e-05   6.342e-06    -4.754    -5.198    -0.444     24.64
+   HSO4-           5.801e-09   4.322e-09    -8.237    -8.364    -0.128     40.66
+   CaHSO4+         9.093e-11   6.775e-11   -10.041   -10.169    -0.128     (0)  
 Si            2.215e-05
-   H4SiO4          2.202e-05   2.310e-05    -4.657    -4.636     0.021     52.08
-   H3SiO4-         1.302e-07   9.311e-08    -6.885    -7.031    -0.146     28.37
-   H2SiO4-2        5.664e-13   1.732e-13   -12.247   -12.762    -0.515     (0)  
+   H4SiO4          2.202e-05   2.309e-05    -4.657    -4.637     0.021     52.08
+   H3SiO4-         1.290e-07   9.232e-08    -6.890    -7.035    -0.145     28.37
+   H2SiO4-2        5.555e-13   1.703e-13   -12.255   -12.769    -0.514     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -1.42     -5.70   -4.28  CaSO4
+  Anhydrite        -1.53     -5.80   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
-  Arcanite         -6.23     -8.11   -1.88  K2SO4
+  Arcanite         -6.35     -8.23   -1.88  K2SO4
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)         -118.25   -121.05   -2.80  CH4
+  CH4(g)         -120.38   -123.18   -2.80  CH4
   Chalcedony       -1.08     -4.63   -3.55  SiO2
-  Chrysotile       -3.78     28.42   32.20  Mg3Si2O5(OH)4
+  Chrysotile       -3.76     28.44   32.20  Mg3Si2O5(OH)4
   CO2(g)           -2.31     -3.78   -1.47  CO2
   Dolomite          0.71    -16.37  -17.08  CaMg(CO3)2
-  Epsomite         -3.39     -5.13   -1.74  MgSO4:7H2O
-  Gypsum           -1.12     -5.71   -4.58  CaSO4:2H2O
-  H2(g)           -35.47    -38.57   -3.10  H2
+  Epsomite         -3.49     -5.23   -1.74  MgSO4:7H2O
+  Gypsum           -1.23     -5.81   -4.58  CaSO4:2H2O
+  H2(g)           -36.00    -39.10   -3.10  H2
   H2O(g)           -1.51     -0.00    1.50  H2O
-  H2S(g)         -117.75   -125.69   -7.94  H2S
+  H2S(g)         -119.99   -127.92   -7.94  H2S
   Halite           -3.46     -1.89    1.57  NaCl
-  Hexahydrite      -3.56     -5.13   -1.57  MgSO4:6H2O
-  Kieserite        -3.96     -5.12   -1.16  MgSO4:H2O
-  Mirabilite       -3.53     -4.77   -1.24  Na2SO4:10H2O
-  O2(g)           -12.36    -15.25   -2.89  O2
+  Hexahydrite      -3.66     -5.23   -1.57  MgSO4:6H2O
+  Kieserite        -4.06     -5.22   -1.16  MgSO4:H2O
+  Mirabilite       -3.65     -4.89   -1.24  Na2SO4:10H2O
+  O2(g)           -11.29    -14.19   -2.89  O2
   Quartz           -0.65     -4.63   -3.98  SiO2
-  Sepiolite        -4.54     11.22   15.76  Mg2Si3O7.5OH:3H2O
-  Sepiolite(d)     -7.44     11.22   18.66  Mg2Si3O7.5OH:3H2O
+  Sepiolite        -4.53     11.23   15.76  Mg2Si3O7.5OH:3H2O
+  Sepiolite(d)     -7.43     11.23   18.66  Mg2Si3O7.5OH:3H2O
   SiO2(a)          -1.92     -4.63   -2.71  SiO2
-  Sulfur          -88.21    -83.33    4.88  S
+  Sulfur          -89.91    -85.03    4.88  S
   Sylvite          -4.47     -3.57    0.90  KCl
-  Talc             -2.24     19.16   21.40  Mg3Si4O10(OH)2
-  Thenardite       -4.44     -4.74   -0.30  Na2SO4
+  Talc             -2.22     19.18   21.40  Mg3Si4O10(OH)2
+  Thenardite       -4.56     -4.86   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex4.out b/phreeqc3-examples/ex4.out
index e14c097e..f72a7446 100644
--- a/phreeqc3-examples/ex4.out
+++ b/phreeqc3-examples/ex4.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -68,7 +69,7 @@ Initial solution 1.	Precipitation from Central Oklahoma
 
                                        pH  =   4.500    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 17
+      Specific Conductance (µS/cm,  25°C)  = 15
                           Density (g/cm³)  =   0.99705
                                Volume (L)  =   1.00297
                         Viscosity (mPa s)  =   0.89009
@@ -100,18 +101,19 @@ Initial solution 1.	Precipitation from Central Oklahoma
    H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
 C(4)          1.091e-05
    CO2             1.076e-05   1.076e-05    -4.968    -4.968     0.000     34.43
-   HCO3-           1.530e-07   1.513e-07    -6.815    -6.820    -0.005     24.52
-   CaHCO3+         1.787e-11   1.767e-11   -10.748   -10.753    -0.005      9.65
+   HCO3-           1.530e-07   1.513e-07    -6.815    -6.820    -0.005     24.56
+   CaHCO3+         5.402e-12   5.344e-12   -11.267   -11.272    -0.005    122.62
    MgHCO3+         3.022e-12   2.989e-12   -11.520   -11.524    -0.005      5.46
    (CO2)2          2.125e-12   2.125e-12   -11.673   -11.673     0.000     68.87
-   NaHCO3          6.138e-13   6.138e-13   -12.212   -12.212     0.000     28.00
-   CO3-2           2.344e-13   2.244e-13   -12.630   -12.649    -0.019     -4.16
+   NaHCO3          7.995e-13   7.995e-13   -12.097   -12.097     0.000     31.73
+   CO3-2           2.344e-13   2.244e-13   -12.630   -12.649    -0.019     -4.02
+   KHCO3           6.155e-14   6.155e-14   -13.211   -13.211     0.000     41.03
    CaCO3           3.451e-15   3.451e-15   -14.462   -14.462     0.000    -14.60
    MgCO3           3.616e-16   3.616e-16   -15.442   -15.442     0.000    -17.09
 Ca            9.581e-06
    Ca+2            9.560e-06   9.153e-06    -5.020    -5.038    -0.019    -18.22
    CaSO4           2.098e-08   2.098e-08    -7.678    -7.678     0.000      7.50
-   CaHCO3+         1.787e-11   1.767e-11   -10.748   -10.753    -0.005      9.65
+   CaHCO3+         5.402e-12   5.344e-12   -11.267   -11.272    -0.005    122.62
    CaHSO4+         4.409e-12   4.361e-12   -11.356   -11.360    -0.005     (0)  
    CaOH+           4.856e-14   4.804e-14   -13.314   -13.318    -0.005     (0)  
    CaCO3           3.451e-15   3.451e-15   -14.462   -14.462     0.000    -14.60
@@ -121,38 +123,39 @@ Cl            6.657e-06
 H(0)          1.416e-20
    H2              7.079e-21   7.079e-21   -20.150   -20.150     0.000     28.61
 K             9.207e-07
-   K+              9.206e-07   9.106e-07    -6.036    -6.041    -0.005      8.99
-   KSO4-           4.362e-11   4.314e-11   -10.360   -10.365    -0.005     15.81
+   K+              9.205e-07   9.105e-07    -6.036    -6.041    -0.005      8.99
+   KSO4-           1.805e-10   1.786e-10    -9.744    -9.748    -0.005     14.12
+   KHCO3           6.155e-14   6.155e-14   -13.211   -13.211     0.000     41.03
 Mg            1.769e-06
    Mg+2            1.763e-06   1.688e-06    -5.754    -5.773    -0.019    -21.90
-   MgSO4           5.697e-09   5.697e-09    -8.244    -8.244     0.000     -0.83
+   MgSO4           5.697e-09   5.697e-09    -8.244    -8.244     0.000     -7.92
    MgHCO3+         3.022e-12   2.989e-12   -11.520   -11.524    -0.005      5.46
-   Mg(SO4)2-2      2.526e-13   2.419e-13   -12.598   -12.616    -0.019     31.70
+   Mg(SO4)2-2      2.525e-13   2.419e-13   -12.598   -12.616    -0.019    -15.61
    MgOH+           1.959e-13   1.938e-13   -12.708   -12.713    -0.005     (0)  
    MgCO3           3.616e-16   3.616e-16   -15.442   -15.442     0.000    -17.09
 N(-3)         1.485e-05
-   NH4+            1.485e-05   1.469e-05    -4.828    -4.833    -0.005     17.94
-   NH4SO4-         2.465e-09   2.439e-09    -8.608    -8.613    -0.005     38.17
+   NH4+            1.485e-05   1.469e-05    -4.828    -4.833    -0.005     17.87
+   NH4SO4-         2.442e-09   2.416e-09    -8.612    -8.617    -0.005    -13.83
    NH3             2.646e-10   2.646e-10    -9.577    -9.577     0.000     24.42
 N(5)          1.692e-05
    NO3-            1.692e-05   1.674e-05    -4.772    -4.776    -0.005     29.47
 Na            6.133e-06
-   Na+             6.133e-06   6.066e-06    -5.212    -5.217    -0.005     -1.51
-   NaSO4-          3.089e-10   3.055e-10    -9.510    -9.515    -0.005     14.46
-   NaHCO3          6.138e-13   6.138e-13   -12.212   -12.212     0.000     28.00
-   NaOH            1.942e-25   1.942e-25   -24.712   -24.712     0.000     (0)  
+   Na+             6.132e-06   6.065e-06    -5.212    -5.217    -0.005     -1.51
+   NaSO4-          1.287e-09   1.273e-09    -8.891    -8.895    -0.005    -24.48
+   NaHCO3          7.995e-13   7.995e-13   -12.097   -12.097     0.000     31.73
+   NaOH            1.941e-25   1.941e-25   -24.712   -24.712     0.000     (0)  
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -52.080   -52.080     0.000     30.40
 S(6)          1.353e-05
-   SO4-2           1.346e-05   1.289e-05    -4.871    -4.890    -0.019     14.70
-   HSO4-           4.007e-08   3.963e-08    -7.397    -7.402    -0.005     40.26
+   SO4-2           1.346e-05   1.289e-05    -4.871    -4.890    -0.019     14.77
+   HSO4-           4.006e-08   3.963e-08    -7.397    -7.402    -0.005     40.26
    CaSO4           2.098e-08   2.098e-08    -7.678    -7.678     0.000      7.50
-   MgSO4           5.697e-09   5.697e-09    -8.244    -8.244     0.000     -0.83
-   NH4SO4-         2.465e-09   2.439e-09    -8.608    -8.613    -0.005     38.17
-   NaSO4-          3.089e-10   3.055e-10    -9.510    -9.515    -0.005     14.46
-   KSO4-           4.362e-11   4.314e-11   -10.360   -10.365    -0.005     15.81
+   MgSO4           5.697e-09   5.697e-09    -8.244    -8.244     0.000     -7.92
+   NH4SO4-         2.442e-09   2.416e-09    -8.612    -8.617    -0.005    -13.83
+   NaSO4-          1.287e-09   1.273e-09    -8.891    -8.895    -0.005    -24.48
+   KSO4-           1.805e-10   1.786e-10    -9.744    -9.748    -0.005     14.12
    CaHSO4+         4.409e-12   4.361e-12   -11.356   -11.360    -0.005     (0)  
-   Mg(SO4)2-2      2.526e-13   2.419e-13   -12.598   -12.616    -0.019     31.70
+   Mg(SO4)2-2      2.525e-13   2.419e-13   -12.598   -12.616    -0.019    -15.61
 
 ------------------------------Saturation indices-------------------------------
 
@@ -220,18 +223,18 @@ Reaction 1.
 
                                        pH  =   3.148      Charge balance
                                        pe  =  16.529      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 345
+      Specific Conductance (µS/cm,  25°C)  = 292
                           Density (g/cm³)  =   0.99709
                                Volume (L)  =   0.05017
                         Viscosity (mPa s)  =   0.89045
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.530e-03
+                 Ionic strength (mol/kgw)  =   1.529e-03
                        Mass of water (kg)  =   5.002e-02
                  Total alkalinity (eq/kg)  =  -7.555e-04
                        Total CO2 (mol/kg)  =   2.182e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   2.581e-05
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  24.28
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  24.29
                                Iterations  =  32
                                   Total H  = 5.552525e+00
                                   Total O  = 2.776344e+00
@@ -248,19 +251,20 @@ C(-4)         0.000e+00
    CH4             0.000e+00   0.000e+00  -136.694  -136.693     0.000     35.46
 C(4)          2.182e-04
    CO2             2.180e-04   2.181e-04    -3.661    -3.661     0.000     34.43
-   HCO3-           1.425e-07   1.365e-07    -6.846    -6.865    -0.019     24.56
+   HCO3-           1.425e-07   1.365e-07    -6.846    -6.865    -0.019     24.59
    (CO2)2          8.728e-10   8.731e-10    -9.059    -9.059     0.000     68.87
-   CaHCO3+         2.842e-10   2.723e-10    -9.546    -9.565    -0.019      9.68
+   CaHCO3+         8.591e-11   8.233e-11   -10.066   -10.084    -0.019    122.64
    MgHCO3+         4.754e-11   4.551e-11   -10.323   -10.342    -0.019      5.48
-   NaHCO3          1.070e-11   1.071e-11   -10.971   -10.970     0.000     28.00
-   CO3-2           1.070e-14   9.007e-15   -13.971   -14.045    -0.075     -4.04
+   NaHCO3          1.390e-11   1.391e-11   -10.857   -10.857     0.000     31.73
+   KHCO3           1.071e-12   1.071e-12   -11.970   -11.970     0.000     41.03
+   CO3-2           1.069e-14   9.006e-15   -13.971   -14.045    -0.075     -3.90
    CaCO3           2.365e-15   2.366e-15   -14.626   -14.626     0.000    -14.60
    MgCO3           2.448e-16   2.449e-16   -15.611   -15.611     0.000    -17.09
 Ca            1.916e-04
    Ca+2            1.857e-04   1.564e-04    -3.731    -3.806    -0.075    -18.12
-   CaSO4           5.800e-06   5.802e-06    -5.237    -5.236     0.000      7.50
-   CaHSO4+         2.831e-08   2.710e-08    -7.548    -7.567    -0.019     (0)  
-   CaHCO3+         2.842e-10   2.723e-10    -9.546    -9.565    -0.019      9.68
+   CaSO4           5.792e-06   5.795e-06    -5.237    -5.237     0.000      7.50
+   CaHSO4+         2.828e-08   2.707e-08    -7.549    -7.568    -0.019     (0)  
+   CaHCO3+         8.591e-11   8.233e-11   -10.066   -10.084    -0.019    122.64
    CaOH+           3.814e-14   3.651e-14   -13.419   -13.438    -0.019     (0)  
    CaCO3           2.365e-15   2.366e-15   -14.626   -14.626     0.000    -14.60
 Cl            1.331e-04
@@ -269,18 +273,19 @@ Cl            1.331e-04
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.506   -42.506     0.000     28.61
 K             1.841e-05
-   K+              1.839e-05   1.760e-05    -4.735    -4.754    -0.019      9.02
-   KSO4-           1.413e-08   1.350e-08    -7.850    -7.870    -0.020     18.61
+   K+              1.835e-05   1.756e-05    -4.736    -4.755    -0.019      9.02
+   KSO4-           5.808e-08   5.568e-08    -7.236    -7.254    -0.018     14.15
+   KHCO3           1.071e-12   1.071e-12   -11.970   -11.970     0.000     41.03
 Mg            3.536e-05
-   Mg+2            3.380e-05   2.849e-05    -4.471    -4.545    -0.074    -21.80
-   MgSO4           1.556e-06   1.557e-06    -5.808    -5.808     0.000     -0.83
-   Mg(SO4)2-2      1.266e-09   1.070e-09    -8.898    -8.971    -0.073     35.55
+   Mg+2            3.381e-05   2.850e-05    -4.471    -4.545    -0.074    -21.80
+   MgSO4           1.554e-06   1.555e-06    -5.809    -5.808     0.000     -7.92
+   Mg(SO4)2-2      1.263e-09   1.067e-09    -8.899    -8.972    -0.073     -2.63
    MgHCO3+         4.754e-11   4.551e-11   -10.323   -10.342    -0.019      5.48
    MgOH+           1.519e-13   1.456e-13   -12.819   -12.837    -0.018     (0)  
    MgCO3           2.448e-16   2.449e-16   -15.611   -15.611     0.000    -17.09
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -48.437   -48.457    -0.019     17.97
-   NH4SO4-         0.000e+00   0.000e+00   -51.008   -51.027    -0.019     38.20
+   NH4+            0.000e+00   0.000e+00   -48.437   -48.457    -0.019     17.90
+   NH4SO4-         0.000e+00   0.000e+00   -51.013   -51.032    -0.019     -9.55
    NH3             0.000e+00   0.000e+00   -54.553   -54.553     0.000     24.42
 N(0)          4.751e-04
    N2              2.375e-04   2.376e-04    -3.624    -3.624     0.000     29.29
@@ -289,27 +294,27 @@ N(3)          2.623e-15
 N(5)          1.601e-04
    NO3-            1.601e-04   1.532e-04    -3.796    -3.815    -0.019     29.50
 Na            1.226e-04
-   Na+             1.225e-04   1.173e-04    -3.912    -3.931    -0.019     -1.47
-   NaSO4-          1.001e-07   9.563e-08    -6.999    -7.019    -0.020     14.56
-   NaHCO3          1.070e-11   1.071e-11   -10.971   -10.970     0.000     28.00
-   NaOH            1.670e-25   1.671e-25   -24.777   -24.777     0.000     (0)  
+   Na+             1.222e-04   1.170e-04    -3.913    -3.932    -0.019     -1.47
+   NaSO4-          4.143e-07   3.969e-07    -6.383    -6.401    -0.019    -20.09
+   NaHCO3          1.390e-11   1.391e-11   -10.857   -10.857     0.000     31.73
+   NaOH            1.666e-25   1.667e-25   -24.778   -24.778     0.000     (0)  
 O(0)          8.552e-08
-   O2              4.276e-08   4.277e-08    -7.369    -7.369     0.000     30.40
+   O2              4.276e-08   4.278e-08    -7.369    -7.369     0.000     30.40
 S(-2)         0.000e+00
-   H2S             0.000e+00   0.000e+00  -126.808  -126.808     0.000     36.27
-   HS-             0.000e+00   0.000e+00  -130.582  -130.601    -0.019     20.61
-   S-2             0.000e+00   0.000e+00  -140.296  -140.371    -0.075     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -254.894  -254.894     0.000     30.09
+   H2S             0.000e+00   0.000e+00  -126.809  -126.808     0.000     36.27
+   HS-             0.000e+00   0.000e+00  -130.583  -130.602    -0.019     20.61
+   S-2             0.000e+00   0.000e+00  -140.297  -140.372    -0.075     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -254.895  -254.895     0.000     30.09
 S(6)          2.706e-04
-   SO4-2           2.480e-04   2.086e-04    -3.606    -3.681    -0.075     14.82
-   HSO4-           1.506e-05   1.442e-05    -4.822    -4.841    -0.019     40.28
-   CaSO4           5.800e-06   5.802e-06    -5.237    -5.236     0.000      7.50
-   MgSO4           1.556e-06   1.557e-06    -5.808    -5.808     0.000     -0.83
-   NaSO4-          1.001e-07   9.563e-08    -6.999    -7.019    -0.020     14.56
-   CaHSO4+         2.831e-08   2.710e-08    -7.548    -7.567    -0.019     (0)  
-   KSO4-           1.413e-08   1.350e-08    -7.850    -7.870    -0.020     18.61
-   Mg(SO4)2-2      1.266e-09   1.070e-09    -8.898    -8.971    -0.073     35.55
-   NH4SO4-         0.000e+00   0.000e+00   -51.008   -51.027    -0.019     38.20
+   SO4-2           2.477e-04   2.084e-04    -3.606    -3.681    -0.075     15.86
+   HSO4-           1.504e-05   1.440e-05    -4.823    -4.842    -0.019     40.28
+   CaSO4           5.792e-06   5.795e-06    -5.237    -5.237     0.000      7.50
+   MgSO4           1.554e-06   1.555e-06    -5.809    -5.808     0.000     -7.92
+   NaSO4-          4.143e-07   3.969e-07    -6.383    -6.401    -0.019    -20.09
+   KSO4-           5.808e-08   5.568e-08    -7.236    -7.254    -0.018     14.15
+   CaHSO4+         2.828e-08   2.707e-08    -7.549    -7.568    -0.019     (0)  
+   Mg(SO4)2-2      1.263e-09   1.067e-09    -8.899    -8.972    -0.073     -2.63
+   NH4SO4-         0.000e+00   0.000e+00   -51.013   -51.032    -0.019     -9.55
 
 ------------------------------Saturation indices-------------------------------
 
@@ -389,18 +394,18 @@ Mixture 1.
 
                                        pH  =   3.148      Charge balance
                                        pe  =  16.529      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 345
+      Specific Conductance (µS/cm,  25°C)  = 292
                           Density (g/cm³)  =   0.99709
                                Volume (L)  =   1.00332
                         Viscosity (mPa s)  =   0.89045
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.530e-03
+                 Ionic strength (mol/kgw)  =   1.529e-03
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =  -7.555e-04
                        Total CO2 (mol/kg)  =   2.182e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =   5.162e-04
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  24.28
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  24.29
                                Iterations  =   0
                                   Total H  = 1.110505e+02
                                   Total O  = 5.552687e+01
@@ -417,19 +422,20 @@ C(-4)         0.000e+00
    CH4             0.000e+00   0.000e+00  -136.694  -136.693     0.000     35.46
 C(4)          2.182e-04
    CO2             2.180e-04   2.181e-04    -3.661    -3.661     0.000     34.43
-   HCO3-           1.425e-07   1.365e-07    -6.846    -6.865    -0.019     24.56
+   HCO3-           1.425e-07   1.365e-07    -6.846    -6.865    -0.019     24.59
    (CO2)2          8.728e-10   8.731e-10    -9.059    -9.059     0.000     68.87
-   CaHCO3+         2.842e-10   2.723e-10    -9.546    -9.565    -0.019      9.68
+   CaHCO3+         8.591e-11   8.233e-11   -10.066   -10.084    -0.019    122.64
    MgHCO3+         4.754e-11   4.551e-11   -10.323   -10.342    -0.019      5.48
-   NaHCO3          1.070e-11   1.071e-11   -10.971   -10.970     0.000     28.00
-   CO3-2           1.070e-14   9.007e-15   -13.971   -14.045    -0.075     -4.04
+   NaHCO3          1.390e-11   1.391e-11   -10.857   -10.857     0.000     31.73
+   KHCO3           1.071e-12   1.071e-12   -11.970   -11.970     0.000     41.03
+   CO3-2           1.069e-14   9.006e-15   -13.971   -14.045    -0.075     -3.90
    CaCO3           2.365e-15   2.366e-15   -14.626   -14.626     0.000    -14.60
    MgCO3           2.448e-16   2.449e-16   -15.611   -15.611     0.000    -17.09
 Ca            1.916e-04
    Ca+2            1.857e-04   1.564e-04    -3.731    -3.806    -0.075    -18.12
-   CaSO4           5.800e-06   5.802e-06    -5.237    -5.236     0.000      7.50
-   CaHSO4+         2.831e-08   2.710e-08    -7.548    -7.567    -0.019     (0)  
-   CaHCO3+         2.842e-10   2.723e-10    -9.546    -9.565    -0.019      9.68
+   CaSO4           5.792e-06   5.795e-06    -5.237    -5.237     0.000      7.50
+   CaHSO4+         2.828e-08   2.707e-08    -7.549    -7.568    -0.019     (0)  
+   CaHCO3+         8.591e-11   8.233e-11   -10.066   -10.084    -0.019    122.64
    CaOH+           3.814e-14   3.651e-14   -13.419   -13.438    -0.019     (0)  
    CaCO3           2.365e-15   2.366e-15   -14.626   -14.626     0.000    -14.60
 Cl            1.331e-04
@@ -438,18 +444,19 @@ Cl            1.331e-04
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.506   -42.506     0.000     28.61
 K             1.841e-05
-   K+              1.839e-05   1.760e-05    -4.735    -4.754    -0.019      9.02
-   KSO4-           1.413e-08   1.350e-08    -7.850    -7.870    -0.020     18.61
+   K+              1.835e-05   1.756e-05    -4.736    -4.755    -0.019      9.02
+   KSO4-           5.808e-08   5.568e-08    -7.236    -7.254    -0.018     14.15
+   KHCO3           1.071e-12   1.071e-12   -11.970   -11.970     0.000     41.03
 Mg            3.536e-05
-   Mg+2            3.380e-05   2.849e-05    -4.471    -4.545    -0.074    -21.80
-   MgSO4           1.556e-06   1.557e-06    -5.808    -5.808     0.000     -0.83
-   Mg(SO4)2-2      1.266e-09   1.070e-09    -8.898    -8.971    -0.073     35.55
+   Mg+2            3.381e-05   2.850e-05    -4.471    -4.545    -0.074    -21.80
+   MgSO4           1.554e-06   1.555e-06    -5.809    -5.808     0.000     -7.92
+   Mg(SO4)2-2      1.263e-09   1.067e-09    -8.899    -8.972    -0.073     -2.63
    MgHCO3+         4.754e-11   4.551e-11   -10.323   -10.342    -0.019      5.48
    MgOH+           1.519e-13   1.456e-13   -12.819   -12.837    -0.018     (0)  
    MgCO3           2.448e-16   2.449e-16   -15.611   -15.611     0.000    -17.09
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -48.437   -48.457    -0.019     17.97
-   NH4SO4-         0.000e+00   0.000e+00   -51.008   -51.027    -0.019     38.20
+   NH4+            0.000e+00   0.000e+00   -48.437   -48.457    -0.019     17.90
+   NH4SO4-         0.000e+00   0.000e+00   -51.013   -51.032    -0.019     -9.55
    NH3             0.000e+00   0.000e+00   -54.553   -54.553     0.000     24.42
 N(0)          4.751e-04
    N2              2.375e-04   2.376e-04    -3.624    -3.624     0.000     29.29
@@ -458,27 +465,27 @@ N(3)          2.623e-15
 N(5)          1.601e-04
    NO3-            1.601e-04   1.532e-04    -3.796    -3.815    -0.019     29.50
 Na            1.226e-04
-   Na+             1.225e-04   1.173e-04    -3.912    -3.931    -0.019     -1.47
-   NaSO4-          1.001e-07   9.563e-08    -6.999    -7.019    -0.020     14.56
-   NaHCO3          1.070e-11   1.071e-11   -10.971   -10.970     0.000     28.00
-   NaOH            1.670e-25   1.671e-25   -24.777   -24.777     0.000     (0)  
+   Na+             1.222e-04   1.170e-04    -3.913    -3.932    -0.019     -1.47
+   NaSO4-          4.143e-07   3.969e-07    -6.383    -6.401    -0.019    -20.09
+   NaHCO3          1.390e-11   1.391e-11   -10.857   -10.857     0.000     31.73
+   NaOH            1.666e-25   1.667e-25   -24.778   -24.778     0.000     (0)  
 O(0)          8.552e-08
-   O2              4.276e-08   4.277e-08    -7.369    -7.369     0.000     30.40
+   O2              4.276e-08   4.278e-08    -7.369    -7.369     0.000     30.40
 S(-2)         0.000e+00
-   H2S             0.000e+00   0.000e+00  -126.808  -126.808     0.000     36.27
-   HS-             0.000e+00   0.000e+00  -130.582  -130.601    -0.019     20.61
-   S-2             0.000e+00   0.000e+00  -140.296  -140.371    -0.075     (0)  
-   (H2S)2          0.000e+00   0.000e+00  -254.894  -254.894     0.000     30.09
+   H2S             0.000e+00   0.000e+00  -126.809  -126.808     0.000     36.27
+   HS-             0.000e+00   0.000e+00  -130.583  -130.602    -0.019     20.61
+   S-2             0.000e+00   0.000e+00  -140.297  -140.372    -0.075     (0)  
+   (H2S)2          0.000e+00   0.000e+00  -254.895  -254.895     0.000     30.09
 S(6)          2.706e-04
-   SO4-2           2.480e-04   2.086e-04    -3.606    -3.681    -0.075     14.82
-   HSO4-           1.506e-05   1.442e-05    -4.822    -4.841    -0.019     40.28
-   CaSO4           5.800e-06   5.802e-06    -5.237    -5.236     0.000      7.50
-   MgSO4           1.556e-06   1.557e-06    -5.808    -5.808     0.000     -0.83
-   NaSO4-          1.001e-07   9.563e-08    -6.999    -7.019    -0.020     14.56
-   CaHSO4+         2.831e-08   2.710e-08    -7.548    -7.567    -0.019     (0)  
-   KSO4-           1.413e-08   1.350e-08    -7.850    -7.870    -0.020     18.61
-   Mg(SO4)2-2      1.266e-09   1.070e-09    -8.898    -8.971    -0.073     35.55
-   NH4SO4-         0.000e+00   0.000e+00   -51.008   -51.027    -0.019     38.20
+   SO4-2           2.477e-04   2.084e-04    -3.606    -3.681    -0.075     15.86
+   HSO4-           1.504e-05   1.440e-05    -4.823    -4.842    -0.019     40.28
+   CaSO4           5.792e-06   5.795e-06    -5.237    -5.237     0.000      7.50
+   MgSO4           1.554e-06   1.555e-06    -5.809    -5.808     0.000     -7.92
+   NaSO4-          4.143e-07   3.969e-07    -6.383    -6.401    -0.019    -20.09
+   KSO4-           5.808e-08   5.568e-08    -7.236    -7.254    -0.018     14.15
+   CaHSO4+         2.828e-08   2.707e-08    -7.549    -7.568    -0.019     (0)  
+   Mg(SO4)2-2      1.263e-09   1.067e-09    -8.899    -8.972    -0.073     -2.63
+   NH4SO4-         0.000e+00   0.000e+00   -51.013   -51.032    -0.019     -9.55
 
 ------------------------------Saturation indices-------------------------------
 
diff --git a/phreeqc3-examples/ex5.out b/phreeqc3-examples/ex5.out
index 4bb27369..7c0c909f 100644
--- a/phreeqc3-examples/ex5.out
+++ b/phreeqc3-examples/ex5.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -142,110 +143,110 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01  -4.869e-04
-Calcite           0.00    -8.48     -8.48    1.000e+01   1.000e+01  -4.933e-04
-Goethite          0.00    -1.00     -1.00    1.000e+01   1.000e+01   1.096e-08
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01  -4.846e-04
+Calcite           0.00    -8.48     -8.48    1.000e+01   1.000e+01  -4.910e-04
+Goethite         -0.00    -1.00     -1.00    1.000e+01   1.000e+01   1.089e-08
 Gypsum           -6.13   -10.71     -4.58    0.000e+00           0   0.000e+00
-Pyrite            0.00   -18.48    -18.48    1.000e+01   1.000e+01  -3.144e-08
+Pyrite           -0.00   -18.48    -18.48    1.000e+01   1.000e+01  -3.140e-08
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 9.802e-04   9.802e-04
-	Ca                4.933e-04   4.933e-04
-	Fe                2.048e-08   2.048e-08
-	S                 6.287e-08   6.287e-08
+	C                 9.756e-04   9.756e-04
+	Ca                4.910e-04   4.910e-04
+	Fe                2.051e-08   2.051e-08
+	S                 6.280e-08   6.280e-08
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   8.279      Charge balance
-                                       pe  =  -4.943      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 95
+                                       pe  =  -4.942      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 96
                           Density (g/cm³)  =   0.99711
                                Volume (L)  =   1.00297
-                        Viscosity (mPa s)  =   0.89082
+                        Viscosity (mPa s)  =   0.89093
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.463e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   9.866e-04
-                       Total CO2 (mol/kg)  =   9.801e-04
+                 Total alkalinity (eq/kg)  =   9.820e-04
+                       Total CO2 (mol/kg)  =   9.756e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  14
                                   Total H  = 1.110124e+02
-                                  Total O  = 5.550867e+01
+                                  Total O  = 5.550866e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             2.010e-06   1.925e-06    -5.697    -5.716    -0.019     -4.10
-   H+              5.475e-09   5.258e-09    -8.262    -8.279    -0.018      0.00
+   OH-             2.007e-06   1.923e-06    -5.697    -5.716    -0.019     -4.10
+   H+              5.481e-09   5.264e-09    -8.261    -8.279    -0.018      0.00
    H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
-C(-4)         5.384e-08
-   CH4             5.384e-08   5.386e-08    -7.269    -7.269     0.000     35.46
-C(4)          9.801e-04
-   HCO3-           9.493e-04   9.102e-04    -3.023    -3.041    -0.018     24.56
+C(-4)         5.377e-08
+   CH4             5.377e-08   5.379e-08    -7.269    -7.269     0.000     35.46
+C(4)          9.756e-04
+   HCO3-           9.482e-04   9.091e-04    -3.023    -3.041    -0.018     24.58
    CO2             1.076e-05   1.076e-05    -4.968    -4.968     0.000     34.43
-   CO3-2           9.605e-06   8.118e-06    -5.017    -5.091    -0.073     -4.04
+   CO3-2           9.583e-06   8.099e-06    -5.019    -5.092    -0.073     -3.91
    CaCO3           5.561e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   CaHCO3+         4.939e-06   4.737e-06    -5.306    -5.324    -0.018      9.68
-   FeCO3           2.598e-09   2.599e-09    -8.585    -8.585     0.000     (0)  
-   FeHCO3+         1.268e-09   1.215e-09    -8.897    -8.916    -0.019     (0)  
+   CaHCO3+         1.495e-06   1.434e-06    -5.825    -5.843    -0.018    122.64
+   FeCO3           2.597e-09   2.598e-09    -8.585    -8.585     0.000     (0)  
+   FeHCO3+         1.269e-09   1.216e-09    -8.897    -8.915    -0.019     (0)  
    (CO2)2          2.125e-12   2.125e-12   -11.673   -11.673     0.000     68.87
-Ca            4.933e-04
-   Ca+2            4.828e-04   4.079e-04    -3.316    -3.389    -0.073    -18.12
+Ca            4.910e-04
+   Ca+2            4.840e-04   4.089e-04    -3.315    -3.388    -0.073    -18.12
    CaCO3           5.561e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   CaHCO3+         4.939e-06   4.737e-06    -5.306    -5.324    -0.018      9.68
-   CaOH+           1.344e-08   1.288e-08    -7.872    -7.890    -0.019     (0)  
-   CaSO4           3.483e-09   3.484e-09    -8.458    -8.458     0.000      7.50
-   CaHSO4+         1.257e-16   1.204e-16   -15.901   -15.919    -0.019     (0)  
-Fe(2)         2.048e-08
-   Fe+2            1.577e-08   1.335e-08    -7.802    -7.875    -0.073    -22.11
-   FeCO3           2.598e-09   2.599e-09    -8.585    -8.585     0.000     (0)  
-   FeHCO3+         1.268e-09   1.215e-09    -8.897    -8.916    -0.019     (0)  
-   FeOH+           8.372e-10   8.026e-10    -9.077    -9.096    -0.018     (0)  
-   Fe(OH)2         1.299e-12   1.299e-12   -11.887   -11.886     0.000     (0)  
-   FeSO4           1.139e-13   1.140e-13   -12.943   -12.943     0.000     18.97
-   Fe(OH)3-        9.575e-15   9.179e-15   -14.019   -14.037    -0.018     (0)  
-   Fe(HS)2         6.282e-17   6.285e-17   -16.202   -16.202     0.000     (0)  
-   FeHSO4+         4.111e-21   3.939e-21   -20.386   -20.405    -0.019     (0)  
-   Fe(HS)3-        1.642e-23   1.573e-23   -22.785   -22.803    -0.019     (0)  
-Fe(3)         3.369e-14
+   CaHCO3+         1.495e-06   1.434e-06    -5.825    -5.843    -0.018    122.64
+   CaOH+           1.345e-08   1.289e-08    -7.871    -7.890    -0.019     (0)  
+   CaSO4           3.487e-09   3.488e-09    -8.458    -8.457     0.000      7.50
+   CaHSO4+         1.260e-16   1.207e-16   -15.900   -15.918    -0.019     (0)  
+Fe(2)         2.051e-08
+   Fe+2            1.581e-08   1.337e-08    -7.801    -7.874    -0.073    -22.11
+   FeCO3           2.597e-09   2.598e-09    -8.585    -8.585     0.000     (0)  
+   FeHCO3+         1.269e-09   1.216e-09    -8.897    -8.915    -0.019     (0)  
+   FeOH+           8.381e-10   8.034e-10    -9.077    -9.095    -0.018     (0)  
+   Fe(OH)2         1.298e-12   1.299e-12   -11.887   -11.886     0.000     (0)  
+   FeSO4           1.141e-13   1.141e-13   -12.943   -12.943     0.000     18.97
+   Fe(OH)3-        9.563e-15   9.167e-15   -14.019   -14.038    -0.018     (0)  
+   Fe(HS)2         6.281e-17   6.283e-17   -16.202   -16.202     0.000     (0)  
+   FeHSO4+         4.120e-21   3.948e-21   -20.385   -20.404    -0.019     (0)  
+   Fe(HS)3-        1.639e-23   1.571e-23   -22.785   -22.804    -0.019     (0)  
+Fe(3)         3.368e-14
    Fe(OH)3         2.753e-14   2.754e-14   -13.560   -13.560     0.000     (0)  
-   Fe(OH)4-        4.982e-15   4.777e-15   -14.303   -14.321    -0.018     (0)  
-   Fe(OH)2+        1.172e-15   1.124e-15   -14.931   -14.949    -0.018     (0)  
-   FeOH+2          2.114e-20   1.785e-20   -19.675   -19.748    -0.073     (0)  
-   Fe+3            2.091e-26   1.454e-26   -25.680   -25.837    -0.158     (0)  
-   FeSO4+          7.987e-30   7.656e-30   -29.098   -29.116    -0.018     (0)  
-   Fe(SO4)2-       8.396e-36   8.045e-36   -35.076   -35.094    -0.019     (0)  
-   FeHSO4+2        1.279e-37   1.078e-37   -36.893   -36.967    -0.074     (0)  
-   Fe2(OH)2+4      1.700e-38   8.577e-39   -37.770   -38.067    -0.297     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.232   -50.696    -0.464     (0)  
-H(0)          3.007e-10
-   H2              1.504e-10   1.504e-10    -9.823    -9.823     0.000     28.61
+   Fe(OH)4-        4.976e-15   4.771e-15   -14.303   -14.321    -0.018     (0)  
+   Fe(OH)2+        1.174e-15   1.125e-15   -14.930   -14.949    -0.018     (0)  
+   FeOH+2          2.119e-20   1.789e-20   -19.674   -19.747    -0.073     (0)  
+   Fe+3            2.098e-26   1.459e-26   -25.678   -25.836    -0.158     (0)  
+   FeSO4+          8.005e-30   7.674e-30   -29.097   -29.115    -0.018     (0)  
+   Fe(SO4)2-       8.405e-36   8.054e-36   -35.075   -35.094    -0.019     (0)  
+   FeHSO4+2        1.284e-37   1.082e-37   -36.892   -36.966    -0.074     (0)  
+   Fe2(OH)2+4      1.708e-38   8.618e-39   -37.768   -38.065    -0.297     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.229   -50.693    -0.464     (0)  
+H(0)          3.006e-10
+   H2              1.503e-10   1.504e-10    -9.823    -9.823     0.000     28.61
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -72.735   -72.735     0.000     30.40
-S(-2)         2.505e-09
-   HS-             2.400e-09   2.299e-09    -8.620    -8.639    -0.019     20.61
+   O2              0.000e+00   0.000e+00   -72.734   -72.734     0.000     30.40
+S(-2)         2.502e-09
+   HS-             2.397e-09   2.296e-09    -8.620    -8.639    -0.019     20.61
    H2S             1.056e-10   1.057e-10    -9.976    -9.976     0.000     36.27
-   S-2             6.253e-14   5.280e-14   -13.204   -13.277    -0.073     (0)  
-   Fe(HS)2         6.282e-17   6.285e-17   -16.202   -16.202     0.000     (0)  
-   (H2S)2          5.883e-22   5.885e-22   -21.230   -21.230     0.000     30.09
-   Fe(HS)3-        1.642e-23   1.573e-23   -22.785   -22.803    -0.019     (0)  
-S(6)          6.037e-08
-   SO4-2           5.688e-08   4.803e-08    -7.245    -7.319    -0.073     14.81
-   CaSO4           3.483e-09   3.484e-09    -8.458    -8.458     0.000      7.50
-   FeSO4           1.139e-13   1.140e-13   -12.943   -12.943     0.000     18.97
-   HSO4-           2.563e-14   2.455e-14   -13.591   -13.610    -0.019     40.28
-   CaHSO4+         1.257e-16   1.204e-16   -15.901   -15.919    -0.019     (0)  
-   FeHSO4+         4.111e-21   3.939e-21   -20.386   -20.405    -0.019     (0)  
-   FeSO4+          7.987e-30   7.656e-30   -29.098   -29.116    -0.018     (0)  
-   Fe(SO4)2-       8.396e-36   8.045e-36   -35.076   -35.094    -0.019     (0)  
-   FeHSO4+2        1.279e-37   1.078e-37   -36.893   -36.967    -0.074     (0)  
+   S-2             6.237e-14   5.267e-14   -13.205   -13.278    -0.073     (0)  
+   Fe(HS)2         6.281e-17   6.283e-17   -16.202   -16.202     0.000     (0)  
+   (H2S)2          5.882e-22   5.884e-22   -21.230   -21.230     0.000     30.09
+   Fe(HS)3-        1.639e-23   1.571e-23   -22.785   -22.804    -0.019     (0)  
+S(6)          6.030e-08
+   SO4-2           5.681e-08   4.797e-08    -7.246    -7.319    -0.073     15.83
+   CaSO4           3.487e-09   3.488e-09    -8.458    -8.457     0.000      7.50
+   FeSO4           1.141e-13   1.141e-13   -12.943   -12.943     0.000     18.97
+   HSO4-           2.562e-14   2.455e-14   -13.591   -13.610    -0.019     40.28
+   CaHSO4+         1.260e-16   1.207e-16   -15.900   -15.918    -0.019     (0)  
+   FeHSO4+         4.120e-21   3.948e-21   -20.385   -20.404    -0.019     (0)  
+   FeSO4+          8.005e-30   7.674e-30   -29.097   -29.115    -0.018     (0)  
+   Fe(SO4)2-       8.405e-36   8.054e-36   -35.075   -35.094    -0.019     (0)  
+   FeHSO4+2        1.284e-37   1.082e-37   -36.892   -36.966    -0.074     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -258,7 +259,7 @@ S(6)          6.037e-08
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
   FeS(ppt)         -4.32     -8.23   -3.92  FeS
-  Goethite          0.00     -1.00   -1.00  FeOOH
+  Goethite         -0.00     -1.00   -1.00  FeOOH
   Gypsum           -6.13    -10.71   -4.58  CaSO4:2H2O
   H2(g)            -6.72     -9.82   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
@@ -267,7 +268,7 @@ S(6)          6.037e-08
   Mackinawite      -3.59     -8.23   -4.65  FeS
   Melanterite     -12.98    -15.19   -2.21  FeSO4:7H2O
   O2(g)           -69.84    -72.73   -2.89  O2
-  Pyrite            0.00    -18.48  -18.48  FeS2
+  Pyrite           -0.00    -18.48  -18.48  FeS2
   Siderite         -2.08    -12.97  -10.89  FeCO3
   Sulfur           -8.19     -3.30    4.88  S
 
@@ -301,9 +302,9 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   1.426e-04
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.999e+00  -9.268e-04
-Goethite         -0.00    -1.00     -1.00    1.000e+01   1.000e+01   2.667e-04
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   1.452e-04
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.999e+00  -9.242e-04
+Goethite          0.00    -1.00     -1.00    1.000e+01   1.000e+01   2.667e-04
 Gypsum           -2.01    -6.60     -4.58    0.000e+00           0   0.000e+00
 Pyrite           -0.00   -18.48    -18.48    1.000e+01   1.000e+01  -2.667e-04
 
@@ -311,119 +312,119 @@ Pyrite           -0.00   -18.48    -18.48    1.000e+01   1.000e+01  -2.667e-04
 
 	Elements           Molality       Moles
 
-	C                 7.843e-04   7.843e-04
-	Ca                9.269e-04   9.268e-04
+	C                 7.789e-04   7.789e-04
+	Ca                9.242e-04   9.242e-04
 	Cl                5.000e-04   5.000e-04
-	Fe                9.963e-09   9.963e-09
+	Fe                9.984e-09   9.984e-09
 	Na                5.000e-04   5.000e-04
 	S                 5.333e-04   5.333e-04
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   8.170      Charge balance
-                                       pe  =  -4.286      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 254
+                                       pe  =  -4.285      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 271
                           Density (g/cm³)  =   0.99719
                                Volume (L)  =   1.00298
-                        Viscosity (mPa s)  =   0.89122
+                        Viscosity (mPa s)  =   0.89164
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   3.608e-03
+                 Ionic strength (mol/kgw)  =   3.605e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   7.870e-04
-                       Total CO2 (mol/kg)  =   7.843e-04
+                 Total alkalinity (eq/kg)  =   7.817e-04
+                       Total CO2 (mol/kg)  =   7.789e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  24
                                   Total H  = 1.110122e+02
-                                  Total O  = 5.551018e+01
+                                  Total O  = 5.551017e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.600e-06   1.498e-06    -5.796    -5.825    -0.029     -4.08
-   H+              7.174e-09   6.757e-09    -8.144    -8.170    -0.026      0.00
+   OH-             1.598e-06   1.496e-06    -5.796    -5.825    -0.029     -4.08
+   H+              7.182e-09   6.764e-09    -8.144    -8.170    -0.026      0.00
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
-C(-4)         2.208e-12
-   CH4             2.208e-12   2.210e-12   -11.656   -11.656     0.000     35.46
-C(4)          7.843e-04
-   HCO3-           7.549e-04   7.083e-04    -3.122    -3.150    -0.028     24.59
+C(-4)         2.213e-12
+   CH4             2.213e-12   2.215e-12   -11.655   -11.655     0.000     35.46
+C(4)          7.789e-04
+   HCO3-           7.540e-04   7.075e-04    -3.123    -3.150    -0.028     24.61
    CO2             1.075e-05   1.076e-05    -4.968    -4.968     0.000     34.43
-   CaHCO3+         6.484e-06   6.087e-06    -5.188    -5.216    -0.027      9.69
-   CO3-2           6.344e-06   4.916e-06    -5.198    -5.308    -0.111     -3.95
+   CO3-2           6.329e-06   4.905e-06    -5.199    -5.309    -0.111     -3.82
    CaCO3           5.559e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   NaHCO3          2.211e-07   2.215e-07    -6.655    -6.655     0.001     28.00
-   FeCO3           7.346e-10   7.352e-10    -9.134    -9.134     0.000     (0)  
-   FeHCO3+         4.714e-10   4.416e-10    -9.327    -9.355    -0.028     (0)  
+   CaHCO3+         1.962e-06   1.842e-06    -5.707    -5.735    -0.027    122.66
+   NaHCO3          2.864e-07   2.869e-07    -6.543    -6.542     0.001     31.73
+   FeCO3           7.348e-10   7.354e-10    -9.134    -9.133     0.000     (0)  
+   FeHCO3+         4.720e-10   4.422e-10    -9.326    -9.354    -0.028     (0)  
    (CO2)2          2.124e-12   2.125e-12   -11.673   -11.673     0.000     68.87
-Ca            9.269e-04
-   Ca+2            8.697e-04   6.736e-04    -3.061    -3.172    -0.111    -18.05
-   CaSO4           4.511e-05   4.515e-05    -4.346    -4.345     0.000      7.50
-   CaHCO3+         6.484e-06   6.087e-06    -5.188    -5.216    -0.027      9.69
+Ca            9.242e-04
+   Ca+2            8.716e-04   6.752e-04    -3.060    -3.171    -0.111    -18.05
+   CaSO4           4.502e-05   4.506e-05    -4.347    -4.346     0.000      7.50
    CaCO3           5.559e-06   5.563e-06    -5.255    -5.255     0.000    -14.60
-   CaOH+           1.766e-08   1.654e-08    -7.753    -7.781    -0.028     (0)  
-   CaHSO4+         2.141e-12   2.005e-12   -11.669   -11.698    -0.028     (0)  
+   CaHCO3+         1.962e-06   1.842e-06    -5.707    -5.735    -0.027    122.66
+   CaOH+           1.768e-08   1.656e-08    -7.753    -7.781    -0.028     (0)  
+   CaHSO4+         2.139e-12   2.003e-12   -11.670   -11.698    -0.028     (0)  
 Cl            5.000e-04
    Cl-             5.000e-04   4.682e-04    -3.301    -3.330    -0.029     18.10
-   FeCl+           4.301e-12   4.029e-12   -11.366   -11.395    -0.028     (0)  
-   HCl             1.086e-12   1.090e-12   -11.964   -11.963     0.002     (0)  
-   FeCl+2          5.639e-28   4.362e-28   -27.249   -27.360    -0.112     (0)  
-   FeCl2+          9.728e-31   9.123e-31   -30.012   -30.040    -0.028     (0)  
-   FeCl3           4.268e-35   4.272e-35   -34.370   -34.369     0.000     (0)  
-Fe(2)         9.963e-09
-   Fe+2            8.024e-09   6.234e-09    -8.096    -8.205    -0.110    -22.04
-   FeCO3           7.346e-10   7.352e-10    -9.134    -9.134     0.000     (0)  
-   FeHCO3+         4.714e-10   4.416e-10    -9.327    -9.355    -0.028     (0)  
-   FeSO4           4.176e-10   4.179e-10    -9.379    -9.379     0.000     18.97
-   FeOH+           3.111e-10   2.918e-10    -9.507    -9.535    -0.028     (0)  
-   FeCl+           4.301e-12   4.029e-12   -11.366   -11.395    -0.028     (0)  
-   Fe(OH)2         3.672e-13   3.675e-13   -12.435   -12.435     0.000     (0)  
-   Fe(OH)3-        2.155e-15   2.021e-15   -14.667   -14.694    -0.028     (0)  
-   FeHSO4+         1.981e-17   1.856e-17   -16.703   -16.731    -0.028     (0)  
-   Fe(HS)2         5.026e-18   5.030e-18   -17.299   -17.298     0.000     (0)  
-   Fe(HS)3-        5.563e-25   5.211e-25   -24.255   -24.283    -0.028     (0)  
+   FeCl+           4.312e-12   4.040e-12   -11.365   -11.394    -0.028     (0)  
+   HCl             1.087e-12   1.091e-12   -11.964   -11.962     0.002     (0)  
+   FeCl+2          5.659e-28   4.377e-28   -27.247   -27.359    -0.111     (0)  
+   FeCl2+          9.762e-31   9.155e-31   -30.010   -30.038    -0.028     (0)  
+   FeCl3           4.283e-35   4.287e-35   -34.368   -34.368     0.000     (0)  
+Fe(2)         9.984e-09
+   Fe+2            8.044e-09   6.251e-09    -8.095    -8.204    -0.110    -22.04
+   FeCO3           7.348e-10   7.354e-10    -9.134    -9.133     0.000     (0)  
+   FeHCO3+         4.720e-10   4.422e-10    -9.326    -9.354    -0.028     (0)  
+   FeSO4           4.168e-10   4.171e-10    -9.380    -9.380     0.000     18.97
+   FeOH+           3.116e-10   2.922e-10    -9.506    -9.534    -0.028     (0)  
+   FeCl+           4.312e-12   4.040e-12   -11.365   -11.394    -0.028     (0)  
+   Fe(OH)2         3.673e-13   3.676e-13   -12.435   -12.435     0.000     (0)  
+   Fe(OH)3-        2.153e-15   2.019e-15   -14.667   -14.695    -0.028     (0)  
+   FeHSO4+         1.980e-17   1.855e-17   -16.703   -16.732    -0.028     (0)  
+   Fe(HS)2         5.029e-18   5.033e-18   -17.299   -17.298     0.000     (0)  
+   Fe(HS)3-        5.560e-25   5.209e-25   -24.255   -24.283    -0.028     (0)  
 Fe(3)         3.302e-14
    Fe(OH)3         2.752e-14   2.754e-14   -13.560   -13.560     0.000     (0)  
-   Fe(OH)4-        3.962e-15   3.717e-15   -14.402   -14.430    -0.028     (0)  
-   Fe(OH)2+        1.540e-15   1.445e-15   -14.813   -14.840    -0.028     (0)  
-   FeOH+2          3.811e-20   2.948e-20   -19.419   -19.531    -0.112     (0)  
-   FeSO4+          1.360e-25   1.275e-25   -24.867   -24.894    -0.028     (0)  
-   Fe+3            5.289e-26   3.085e-26   -25.277   -25.511    -0.234     (0)  
-   Fe(SO4)2-       1.122e-27   1.051e-27   -26.950   -26.978    -0.028     (0)  
-   FeCl+2          5.639e-28   4.362e-28   -27.249   -27.360    -0.112     (0)  
-   FeCl2+          9.728e-31   9.123e-31   -30.012   -30.040    -0.028     (0)  
+   Fe(OH)4-        3.957e-15   3.713e-15   -14.403   -14.430    -0.028     (0)  
+   Fe(OH)2+        1.541e-15   1.446e-15   -14.812   -14.840    -0.028     (0)  
+   FeOH+2          3.819e-20   2.955e-20   -19.418   -19.530    -0.111     (0)  
+   FeSO4+          1.358e-25   1.274e-25   -24.867   -24.895    -0.028     (0)  
+   Fe+3            5.307e-26   3.096e-26   -25.275   -25.509    -0.234     (0)  
+   Fe(SO4)2-       1.116e-27   1.046e-27   -26.952   -26.981    -0.028     (0)  
+   FeCl+2          5.659e-28   4.377e-28   -27.247   -27.359    -0.111     (0)  
+   FeCl2+          9.762e-31   9.155e-31   -30.010   -30.038    -0.028     (0)  
    FeHSO4+2        2.995e-33   2.307e-33   -32.524   -32.637    -0.113     (0)  
-   FeCl3           4.268e-35   4.272e-35   -34.370   -34.369     0.000     (0)  
-   Fe2(OH)2+4      6.646e-38   2.339e-38   -37.177   -37.631    -0.454     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -49.443   -50.151    -0.709     (0)  
-H(0)          2.406e-11
-   H2              1.203e-11   1.204e-11   -10.920   -10.919     0.000     28.61
+   FeCl3           4.283e-35   4.287e-35   -34.368   -34.368     0.000     (0)  
+   Fe2(OH)2+4      6.674e-38   2.350e-38   -37.176   -37.629    -0.453     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -49.440   -50.149    -0.708     (0)  
+H(0)          2.407e-11
+   H2              1.204e-11   1.205e-11   -10.920   -10.919     0.000     28.61
 Na            5.000e-04
-   Na+             4.990e-04   4.678e-04    -3.302    -3.330    -0.028     -1.44
-   NaSO4-          7.392e-07   6.889e-07    -6.131    -6.162    -0.031     14.65
-   NaHCO3          2.211e-07   2.215e-07    -6.655    -6.655     0.001     28.00
-   NaOH            7.002e-20   7.008e-20   -19.155   -19.154     0.000     (0)  
+   Na+             4.967e-04   4.656e-04    -3.304    -3.332    -0.028     -1.44
+   NaSO4-          3.031e-06   2.845e-06    -5.518    -5.546    -0.028    -18.09
+   NaHCO3          2.864e-07   2.869e-07    -6.543    -6.542     0.001     31.73
+   NaOH            6.961e-20   6.967e-20   -19.157   -19.157     0.000     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -70.542   -70.541     0.000     30.40
-S(-2)         1.073e-09
-   HS-             1.016e-09   9.515e-10    -8.993    -9.022    -0.029     20.63
-   H2S             5.616e-11   5.621e-11   -10.251   -10.250     0.000     36.27
-   S-2             2.199e-14   1.701e-14   -13.658   -13.769    -0.112     (0)  
-   Fe(HS)2         5.026e-18   5.030e-18   -17.299   -17.298     0.000     (0)  
-   (H2S)2          1.663e-22   1.665e-22   -21.779   -21.779     0.000     30.09
-   Fe(HS)3-        5.563e-25   5.211e-25   -24.255   -24.283    -0.028     (0)  
+   O2              0.000e+00   0.000e+00   -70.542   -70.542     0.000     30.40
+S(-2)         1.071e-09
+   HS-             1.015e-09   9.505e-10    -8.993    -9.022    -0.029     20.63
+   H2S             5.617e-11   5.622e-11   -10.251   -10.250     0.000     36.27
+   S-2             2.194e-14   1.697e-14   -13.659   -13.770    -0.111     (0)  
+   Fe(HS)2         5.029e-18   5.033e-18   -17.299   -17.298     0.000     (0)  
+   (H2S)2          1.664e-22   1.665e-22   -21.779   -21.779     0.000     30.09
+   Fe(HS)3-        5.560e-25   5.209e-25   -24.255   -24.283    -0.028     (0)  
 S(6)          5.333e-04
-   SO4-2           4.875e-04   3.769e-04    -3.312    -3.424    -0.112     14.90
-   CaSO4           4.511e-05   4.515e-05    -4.346    -4.345     0.000      7.50
-   NaSO4-          7.392e-07   6.889e-07    -6.131    -6.162    -0.031     14.65
-   FeSO4           4.176e-10   4.179e-10    -9.379    -9.379     0.000     18.97
-   HSO4-           2.643e-10   2.476e-10    -9.578    -9.606    -0.028     40.30
-   CaHSO4+         2.141e-12   2.005e-12   -11.669   -11.698    -0.028     (0)  
-   FeHSO4+         1.981e-17   1.856e-17   -16.703   -16.731    -0.028     (0)  
-   FeSO4+          1.360e-25   1.275e-25   -24.867   -24.894    -0.028     (0)  
-   Fe(SO4)2-       1.122e-27   1.051e-27   -26.950   -26.978    -0.028     (0)  
+   SO4-2           4.853e-04   3.753e-04    -3.314    -3.426    -0.112     16.58
+   CaSO4           4.502e-05   4.506e-05    -4.347    -4.346     0.000      7.50
+   NaSO4-          3.031e-06   2.845e-06    -5.518    -5.546    -0.028    -18.09
+   FeSO4           4.168e-10   4.171e-10    -9.380    -9.380     0.000     18.97
+   HSO4-           2.635e-10   2.468e-10    -9.579    -9.608    -0.028     40.30
+   CaHSO4+         2.139e-12   2.003e-12   -11.670   -11.698    -0.028     (0)  
+   FeHSO4+         1.980e-17   1.855e-17   -16.703   -16.732    -0.028     (0)  
+   FeSO4+          1.358e-25   1.274e-25   -24.867   -24.895    -0.028     (0)  
+   Fe(SO4)2-       1.116e-27   1.046e-27   -26.952   -26.981    -0.028     (0)  
    FeHSO4+2        2.995e-33   2.307e-33   -32.524   -32.637    -0.113     (0)  
 
 ------------------------------Saturation indices-------------------------------
@@ -433,11 +434,11 @@ S(6)          5.333e-04
   Anhydrite        -2.32     -6.60   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)           -8.85    -11.66   -2.80  CH4
+  CH4(g)           -8.85    -11.65   -2.80  CH4
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
   FeS(ppt)         -5.14     -9.06   -3.92  FeS
-  Goethite         -0.00     -1.00   -1.00  FeOOH
+  Goethite          0.00     -1.00   -1.00  FeOOH
   Gypsum           -2.01     -6.60   -4.58  CaSO4:2H2O
   H2(g)            -7.82    -10.92   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
@@ -446,12 +447,12 @@ S(6)          5.333e-04
   Hematite          2.01     -2.00   -4.01  Fe2O3
   Mackinawite      -4.41     -9.06   -4.65  FeS
   Melanterite      -9.42    -11.63   -2.21  FeSO4:7H2O
-  Mirabilite       -8.84    -10.08   -1.24  Na2SO4:10H2O
+  Mirabilite       -8.85    -10.09   -1.24  Na2SO4:10H2O
   O2(g)           -67.65    -70.54   -2.89  O2
   Pyrite           -0.00    -18.48  -18.48  FeS2
   Siderite         -2.62    -13.51  -10.89  FeCO3
   Sulfur           -7.36     -2.48    4.88  S
-  Thenardite       -9.78    -10.08   -0.30  Na2SO4
+  Thenardite       -9.79    -10.09   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -483,157 +484,157 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   2.396e-03
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.997e+00  -2.936e-03
-Goethite          0.00    -1.00     -1.00    1.000e+01   1.000e+01   1.333e-03
-Gypsum           -1.05    -5.63     -4.58    0.000e+00           0   0.000e+00
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.000e+01   2.401e-03
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.997e+00  -2.932e-03
+Goethite         -0.00    -1.00     -1.00    1.000e+01   1.000e+01   1.333e-03
+Gypsum           -1.05    -5.64     -4.58    0.000e+00           0   0.000e+00
 Pyrite            0.00   -18.48    -18.48    1.000e+01   9.999e+00  -1.333e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 5.395e-04   5.395e-04
-	Ca                2.936e-03   2.936e-03
+	C                 5.312e-04   5.312e-04
+	Ca                2.932e-03   2.932e-03
 	Cl                2.500e-03   2.500e-03
-	Fe                2.149e-08   2.149e-08
+	Fe                2.155e-08   2.155e-08
 	Na                2.500e-03   2.500e-03
 	S                 2.667e-03   2.667e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.980      Charge balance
+                                       pH  =   7.979      Charge balance
                                        pe  =  -3.966      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 863
-                          Density (g/cm³)  =   0.99755
+      Specific Conductance (µS/cm,  25°C)  = 913
+                          Density (g/cm³)  =   0.99754
                                Volume (L)  =   1.00300
-                        Viscosity (mPa s)  =   0.89264
+                        Viscosity (mPa s)  =   0.89302
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.225e-02
+                 Ionic strength (mol/kgw)  =   1.219e-02
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.386e-04
-                       Total CO2 (mol/kg)  =   5.395e-04
+                 Total alkalinity (eq/kg)  =   5.303e-04
+                       Total CO2 (mol/kg)  =   5.312e-04
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -1.151e-09
+                  Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  24
+                               Iterations  =  26
                                   Total H  = 1.110111e+02
-                                  Total O  = 5.551757e+01
+                                  Total O  = 5.551754e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             1.083e-06   9.654e-07    -5.965    -6.015    -0.050     -4.02
-   H+              1.156e-08   1.048e-08    -7.937    -7.980    -0.043      0.00
+   OH-             1.081e-06   9.635e-07    -5.966    -6.016    -0.050     -4.02
+   H+              1.158e-08   1.050e-08    -7.936    -7.979    -0.042      0.00
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
-C(-4)         2.067e-13
-   CH4             2.067e-13   2.073e-13   -12.685   -12.683     0.001     35.46
-C(4)          5.395e-04
-   HCO3-           5.089e-04   4.565e-04    -3.293    -3.341    -0.047     24.67
+C(-4)         2.093e-13
+   CH4             2.093e-13   2.099e-13   -12.679   -12.678     0.001     35.46
+C(4)          5.312e-04
+   HCO3-           5.077e-04   4.556e-04    -3.294    -3.341    -0.047     24.66
    CO2             1.074e-05   1.076e-05    -4.969    -4.968     0.001     34.43
-   CaHCO3+         1.051e-05   9.443e-06    -4.979    -5.025    -0.046      9.73
-   CaCO3           5.547e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
-   CO3-2           3.154e-06   2.042e-06    -5.501    -5.690    -0.189     -3.73
-   NaHCO3          6.745e-07   6.789e-07    -6.171    -6.168     0.003     28.00
-   FeHCO3+         5.705e-10   5.097e-10    -9.244    -9.293    -0.049     (0)  
-   FeCO3           5.454e-10   5.470e-10    -9.263    -9.262     0.001     (0)  
+   CaCO3           5.548e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
+   CaHCO3+         3.182e-06   2.861e-06    -5.497    -5.543    -0.046    122.70
+   CO3-2           3.139e-06   2.034e-06    -5.503    -5.692    -0.188     -3.63
+   NaHCO3          8.629e-07   8.678e-07    -6.064    -6.062     0.002     31.73
+   FeHCO3+         5.724e-10   5.115e-10    -9.242    -9.291    -0.049     (0)  
+   FeCO3           5.463e-10   5.478e-10    -9.263    -9.261     0.001     (0)  
    (CO2)2          2.119e-12   2.125e-12   -11.674   -11.673     0.001     68.87
-Ca            2.936e-03
-   Ca+2            2.506e-03   1.621e-03    -2.601    -2.790    -0.189    -17.90
-   CaSO4           4.140e-04   4.152e-04    -3.383    -3.382     0.001      7.50
-   CaHCO3+         1.051e-05   9.443e-06    -4.979    -5.025    -0.046      9.73
-   CaCO3           5.547e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
-   CaOH+           2.873e-08   2.567e-08    -7.542    -7.591    -0.049     (0)  
-   CaHSO4+         3.202e-11   2.861e-11   -10.495   -10.544    -0.049     (0)  
+Ca            2.932e-03
+   Ca+2            2.514e-03   1.628e-03    -2.600    -2.788    -0.189    -17.90
+   CaSO4           4.092e-04   4.104e-04    -3.388    -3.387     0.001      7.50
+   CaCO3           5.548e-06   5.563e-06    -5.256    -5.255     0.001    -14.60
+   CaHCO3+         3.182e-06   2.861e-06    -5.497    -5.543    -0.046    122.70
+   CaOH+           2.878e-08   2.572e-08    -7.541    -7.590    -0.049     (0)  
+   CaHSO4+         3.171e-11   2.833e-11   -10.499   -10.548    -0.049     (0)  
 Cl            2.500e-03
    Cl-             2.500e-03   2.230e-03    -2.602    -2.652    -0.050     18.15
-   FeCl+           3.846e-11   3.436e-11   -10.415   -10.464    -0.049     (0)  
-   HCl             7.956e-12   8.052e-12   -11.099   -11.094     0.005     (0)  
-   FeCl+2          1.205e-26   7.758e-27   -25.919   -26.110    -0.191     (0)  
-   FeCl2+          8.626e-29   7.728e-29   -28.064   -28.112    -0.048     (0)  
-   FeCl3           1.718e-32   1.723e-32   -31.765   -31.764     0.001     (0)  
-Fe(2)         2.149e-08
-   Fe+2            1.711e-08   1.116e-08    -7.767    -7.952    -0.185    -21.90
-   FeSO4           2.851e-09   2.859e-09    -8.545    -8.544     0.001     18.97
-   FeHCO3+         5.705e-10   5.097e-10    -9.244    -9.293    -0.049     (0)  
-   FeCO3           5.454e-10   5.470e-10    -9.263    -9.262     0.001     (0)  
-   FeOH+           3.759e-10   3.367e-10    -9.425    -9.473    -0.048     (0)  
-   FeCl+           3.846e-11   3.436e-11   -10.415   -10.464    -0.049     (0)  
-   Fe(OH)2         2.726e-13   2.734e-13   -12.564   -12.563     0.001     (0)  
-   Fe(OH)3-        1.082e-15   9.689e-16   -14.966   -15.014    -0.048     (0)  
-   FeHSO4+         2.205e-16   1.970e-16   -15.657   -15.706    -0.049     (0)  
-   Fe(HS)2         2.775e-18   2.783e-18   -17.557   -17.555     0.001     (0)  
-   Fe(HS)3-        1.794e-25   1.603e-25   -24.746   -24.795    -0.049     (0)  
+   FeCl+           3.868e-11   3.457e-11   -10.412   -10.461    -0.049     (0)  
+   HCl             7.975e-12   8.070e-12   -11.098   -11.093     0.005     (0)  
+   FeCl+2          1.211e-26   7.808e-27   -25.917   -26.107    -0.191     (0)  
+   FeCl2+          8.682e-29   7.779e-29   -28.061   -28.109    -0.048     (0)  
+   FeCl3           1.730e-32   1.735e-32   -31.762   -31.761     0.001     (0)  
+Fe(2)         2.155e-08
+   Fe+2            1.719e-08   1.123e-08    -7.765    -7.950    -0.185    -21.90
+   FeSO4           2.822e-09   2.830e-09    -8.549    -8.548     0.001     18.97
+   FeHCO3+         5.724e-10   5.115e-10    -9.242    -9.291    -0.049     (0)  
+   FeCO3           5.463e-10   5.478e-10    -9.263    -9.261     0.001     (0)  
+   FeOH+           3.772e-10   3.380e-10    -9.423    -9.471    -0.048     (0)  
+   FeCl+           3.868e-11   3.457e-11   -10.412   -10.461    -0.049     (0)  
+   Fe(OH)2         2.730e-13   2.738e-13   -12.564   -12.563     0.001     (0)  
+   Fe(OH)3-        1.081e-15   9.684e-16   -14.966   -15.014    -0.048     (0)  
+   FeHSO4+         2.186e-16   1.954e-16   -15.660   -15.709    -0.049     (0)  
+   Fe(HS)2         2.784e-18   2.792e-18   -17.555   -17.554     0.001     (0)  
+   Fe(HS)3-        1.797e-25   1.606e-25   -24.745   -24.794    -0.049     (0)  
 Fe(3)         3.263e-14
    Fe(OH)3         2.746e-14   2.754e-14   -13.561   -13.560     0.001     (0)  
-   Fe(OH)4-        2.670e-15   2.396e-15   -14.573   -14.621    -0.047     (0)  
-   Fe(OH)2+        2.498e-15   2.241e-15   -14.602   -14.650    -0.047     (0)  
-   FeOH+2          1.102e-19   7.095e-20   -18.958   -19.149    -0.191     (0)  
-   FeSO4+          2.031e-24   1.819e-24   -23.692   -23.740    -0.048     (0)  
-   Fe+3            2.782e-25   1.152e-25   -24.556   -24.939    -0.383     (0)  
-   Fe(SO4)2-       6.414e-26   5.731e-26   -25.193   -25.242    -0.049     (0)  
-   FeCl+2          1.205e-26   7.758e-27   -25.919   -26.110    -0.191     (0)  
-   FeCl2+          8.626e-29   7.728e-29   -28.064   -28.112    -0.048     (0)  
-   FeHSO4+2        8.015e-32   5.106e-32   -31.096   -31.292    -0.196     (0)  
-   FeCl3           1.718e-32   1.723e-32   -31.765   -31.764     0.001     (0)  
-   Fe2(OH)2+4      8.227e-37   1.355e-37   -36.085   -36.868    -0.783     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -47.974   -49.198    -1.224     (0)  
-H(0)          1.329e-11
-   H2              6.643e-12   6.661e-12   -11.178   -11.176     0.001     28.61
+   Fe(OH)4-        2.664e-15   2.391e-15   -14.574   -14.621    -0.047     (0)  
+   Fe(OH)2+        2.503e-15   2.246e-15   -14.602   -14.649    -0.047     (0)  
+   FeOH+2          1.105e-19   7.124e-20   -18.957   -19.147    -0.191     (0)  
+   FeSO4+          2.011e-24   1.802e-24   -23.697   -23.744    -0.048     (0)  
+   Fe+3            2.794e-25   1.159e-25   -24.554   -24.936    -0.382     (0)  
+   Fe(SO4)2-       6.252e-26   5.587e-26   -25.204   -25.253    -0.049     (0)  
+   FeCl+2          1.211e-26   7.808e-27   -25.917   -26.107    -0.191     (0)  
+   FeCl2+          8.682e-29   7.779e-29   -28.061   -28.109    -0.048     (0)  
+   FeHSO4+2        7.946e-32   5.067e-32   -31.100   -31.295    -0.195     (0)  
+   FeCl3           1.730e-32   1.735e-32   -31.762   -31.761     0.001     (0)  
+   Fe2(OH)2+4      8.262e-37   1.366e-37   -36.083   -36.865    -0.782     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -47.972   -49.193    -1.221     (0)  
+H(0)          1.333e-11
+   H2              6.663e-12   6.682e-12   -11.176   -11.175     0.001     28.61
 Na            2.500e-03
-   Na+             2.485e-03   2.224e-03    -2.605    -2.653    -0.048     -1.36
-   NaSO4-          1.425e-05   1.251e-05    -4.846    -4.903    -0.056     14.91
-   NaHCO3          6.745e-07   6.789e-07    -6.171    -6.168     0.003     28.00
-   NaOH            2.141e-19   2.147e-19   -18.669   -18.668     0.001     (0)  
+   Na+             2.443e-03   2.187e-03    -2.612    -2.660    -0.048     -1.36
+   NaSO4-          5.622e-05   5.046e-05    -4.250    -4.297    -0.047    -14.46
+   NaHCO3          8.629e-07   8.678e-07    -6.064    -6.062     0.002     31.73
+   NaOH            2.101e-19   2.107e-19   -18.678   -18.676     0.001     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -70.029   -70.027     0.001     30.40
-S(-2)         6.419e-10
-   HS-             5.935e-10   5.289e-10    -9.227    -9.277    -0.050     20.68
-   H2S             4.834e-11   4.847e-11   -10.316   -10.315     0.001     36.27
-   S-2             9.463e-15   6.094e-15   -14.024   -14.215    -0.191     (0)  
-   Fe(HS)2         2.775e-18   2.783e-18   -17.557   -17.555     0.001     (0)  
-   (H2S)2          1.235e-22   1.238e-22   -21.908   -21.907     0.001     30.09
-   Fe(HS)3-        1.794e-25   1.603e-25   -24.746   -24.795    -0.049     (0)  
+   O2              0.000e+00   0.000e+00   -70.031   -70.030     0.001     30.40
+S(-2)         6.410e-10
+   HS-             5.926e-10   5.282e-10    -9.227    -9.277    -0.050     20.68
+   H2S             4.837e-11   4.851e-11   -10.315   -10.314     0.001     36.27
+   S-2             9.422e-15   6.074e-15   -14.026   -14.217    -0.191     (0)  
+   Fe(HS)2         2.784e-18   2.792e-18   -17.555   -17.554     0.001     (0)  
+   (H2S)2          1.237e-22   1.240e-22   -21.908   -21.907     0.001     30.09
+   Fe(HS)3-        1.797e-25   1.606e-25   -24.745   -24.794    -0.049     (0)  
 S(6)          2.667e-03
-   SO4-2           2.238e-03   1.440e-03    -2.650    -2.842    -0.192     15.09
-   CaSO4           4.140e-04   4.152e-04    -3.383    -3.382     0.001      7.50
-   NaSO4-          1.425e-05   1.251e-05    -4.846    -4.903    -0.056     14.91
-   FeSO4           2.851e-09   2.859e-09    -8.545    -8.544     0.001     18.97
-   HSO4-           1.643e-09   1.467e-09    -8.784    -8.833    -0.049     40.35
-   CaHSO4+         3.202e-11   2.861e-11   -10.495   -10.544    -0.049     (0)  
-   FeHSO4+         2.205e-16   1.970e-16   -15.657   -15.706    -0.049     (0)  
-   FeSO4+          2.031e-24   1.819e-24   -23.692   -23.740    -0.048     (0)  
-   Fe(SO4)2-       6.414e-26   5.731e-26   -25.193   -25.242    -0.049     (0)  
-   FeHSO4+2        8.015e-32   5.106e-32   -31.096   -31.292    -0.196     (0)  
+   SO4-2           2.201e-03   1.417e-03    -2.657    -2.848    -0.191     18.23
+   CaSO4           4.092e-04   4.104e-04    -3.388    -3.387     0.001      7.50
+   NaSO4-          5.622e-05   5.046e-05    -4.250    -4.297    -0.047    -14.46
+   FeSO4           2.822e-09   2.830e-09    -8.549    -8.548     0.001     18.97
+   HSO4-           1.620e-09   1.447e-09    -8.791    -8.839    -0.049     40.35
+   CaHSO4+         3.171e-11   2.833e-11   -10.499   -10.548    -0.049     (0)  
+   FeHSO4+         2.186e-16   1.954e-16   -15.660   -15.709    -0.049     (0)  
+   FeSO4+          2.011e-24   1.802e-24   -23.697   -23.744    -0.048     (0)  
+   Fe(SO4)2-       6.252e-26   5.587e-26   -25.204   -25.253    -0.049     (0)  
+   FeHSO4+2        7.946e-32   5.067e-32   -31.100   -31.295    -0.195     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -1.35     -5.63   -4.28  CaSO4
+  Anhydrite        -1.36     -5.64   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
   CH4(g)           -9.88    -12.68   -2.80  CH4
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
   FeS(ppt)         -5.33     -9.25   -3.92  FeS
-  Goethite          0.00     -1.00   -1.00  FeOOH
-  Gypsum           -1.05     -5.63   -4.58  CaSO4:2H2O
-  H2(g)            -8.08    -11.18   -3.10  H2
+  Goethite         -0.00     -1.00   -1.00  FeOOH
+  Gypsum           -1.05     -5.64   -4.58  CaSO4:2H2O
+  H2(g)            -8.07    -11.18   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   H2S(g)           -9.32    -17.26   -7.94  H2S
-  Halite           -6.87     -5.30    1.57  NaCl
+  Halite           -6.88     -5.31    1.57  NaCl
   Hematite          2.01     -2.00   -4.01  Fe2O3
   Mackinawite      -4.60     -9.25   -4.65  FeS
-  Melanterite      -8.59    -10.79   -2.21  FeSO4:7H2O
-  Mirabilite       -6.91     -8.15   -1.24  Na2SO4:10H2O
-  O2(g)           -67.13    -70.03   -2.89  O2
+  Melanterite      -8.59    -10.80   -2.21  FeSO4:7H2O
+  Mirabilite       -6.93     -8.17   -1.24  Na2SO4:10H2O
+  O2(g)           -67.14    -70.03   -2.89  O2
   Pyrite            0.00    -18.48  -18.48  FeS2
   Siderite         -2.75    -13.64  -10.89  FeCO3
   Sulfur           -7.17     -2.29    4.88  S
-  Thenardite       -7.85     -8.15   -0.30  Na2SO4
+  Thenardite       -7.87     -8.17   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -665,157 +666,157 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.001e+01   5.107e-03
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.994e+00  -5.558e-03
-Goethite          0.00    -1.00     -1.00    1.000e+01   1.000e+01   2.667e-03
-Gypsum           -0.63    -5.22     -4.58    0.000e+00           0   0.000e+00
-Pyrite            0.00   -18.48    -18.48    1.000e+01   9.997e+00  -2.667e-03
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.001e+01   5.112e-03
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.994e+00  -5.552e-03
+Goethite         -0.00    -1.00     -1.00    1.000e+01   1.000e+01   2.667e-03
+Gypsum           -0.64    -5.22     -4.58    0.000e+00           0   0.000e+00
+Pyrite           -0.00   -18.48    -18.48    1.000e+01   9.997e+00  -2.667e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 4.511e-04   4.511e-04
-	Ca                5.558e-03   5.558e-03
+	C                 4.402e-04   4.402e-04
+	Ca                5.553e-03   5.552e-03
 	Cl                5.000e-03   5.000e-03
-	Fe                3.488e-08   3.488e-08
+	Fe                3.499e-08   3.499e-08
 	Na                5.000e-03   5.000e-03
 	S                 5.333e-03   5.333e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.881      Charge balance
+                                       pH  =   7.879      Charge balance
                                        pe  =  -3.812      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1564
-                          Density (g/cm³)  =   0.99801
-                               Volume (L)  =   1.00303
-                        Viscosity (mPa s)  =   0.89416
+      Specific Conductance (µS/cm,  25°C)  = 1657
+                          Density (g/cm³)  =   0.99799
+                               Volume (L)  =   1.00304
+                        Viscosity (mPa s)  =   0.89443
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   2.256e-02
+                 Ionic strength (mol/kgw)  =   2.237e-02
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   4.491e-04
-                       Total CO2 (mol/kg)  =   4.511e-04
+                 Total alkalinity (eq/kg)  =   4.382e-04
+                       Total CO2 (mol/kg)  =   4.402e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  25
                                   Total H  = 1.110098e+02
-                                  Total O  = 5.552734e+01
+                                  Total O  = 5.552732e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             8.939e-07   7.690e-07    -6.049    -6.114    -0.065     -3.97
-   H+              1.487e-08   1.316e-08    -7.828    -7.881    -0.053      0.00
+   OH-             8.902e-07   7.663e-07    -6.051    -6.116    -0.065     -3.97
+   H+              1.491e-08   1.320e-08    -7.826    -7.879    -0.053      0.00
    H2O             5.551e+01   9.997e-01     1.744    -0.000     0.000     18.07
-C(-4)         7.410e-14
-   CH4             7.410e-14   7.448e-14   -13.130   -13.128     0.002     35.46
-C(4)          4.511e-04
-   HCO3-           4.180e-04   3.636e-04    -3.379    -3.439    -0.060     24.74
-   CaHCO3+         1.358e-05   1.185e-05    -4.867    -4.926    -0.059      9.76
+C(-4)         7.558e-14
+   CH4             7.558e-14   7.597e-14   -13.122   -13.119     0.002     35.46
+C(4)          4.402e-04
+   HCO3-           4.163e-04   3.623e-04    -3.381    -3.441    -0.060     24.70
    CO2             1.072e-05   1.076e-05    -4.970    -4.968     0.001     34.43
-   CaCO3           5.534e-06   5.563e-06    -5.257    -5.255     0.002    -14.60
-   CO3-2           2.263e-06   1.296e-06    -5.645    -5.887    -0.242     -3.56
-   NaHCO3          1.031e-06   1.044e-06    -5.987    -5.981     0.005     28.00
-   FeHCO3+         6.511e-10   5.630e-10    -9.186    -9.250    -0.063     (0)  
-   FeCO3           4.789e-10   4.814e-10    -9.320    -9.318     0.002     (0)  
+   CaCO3           5.535e-06   5.563e-06    -5.257    -5.255     0.002    -14.60
+   CaHCO3+         4.119e-06   3.596e-06    -5.385    -5.444    -0.059    122.72
+   CO3-2           2.242e-06   1.287e-06    -5.649    -5.890    -0.241     -3.47
+   NaHCO3          1.305e-06   1.319e-06    -5.884    -5.880     0.004     31.73
+   FeHCO3+         6.547e-10   5.664e-10    -9.184    -9.247    -0.063     (0)  
+   FeCO3           4.801e-10   4.825e-10    -9.319    -9.316     0.002     (0)  
    (CO2)2          2.114e-12   2.125e-12   -11.675   -11.673     0.002     68.87
-Ca            5.558e-03
-   Ca+2            4.461e-03   2.555e-03    -2.351    -2.593    -0.242    -17.79
-   CaSO4           1.078e-03   1.083e-03    -2.967    -2.965     0.002      7.50
-   CaHCO3+         1.358e-05   1.185e-05    -4.867    -4.926    -0.059      9.76
-   CaCO3           5.534e-06   5.563e-06    -5.257    -5.255     0.002    -14.60
-   CaOH+           3.726e-08   3.222e-08    -7.429    -7.492    -0.063     (0)  
-   CaHSO4+         1.084e-10   9.369e-11    -9.965   -10.028    -0.063     (0)  
+Ca            5.553e-03
+   Ca+2            4.485e-03   2.573e-03    -2.348    -2.590    -0.241    -17.79
+   CaSO4           1.058e-03   1.064e-03    -2.975    -2.973     0.002      7.50
+   CaCO3           5.535e-06   5.563e-06    -5.257    -5.255     0.002    -14.60
+   CaHCO3+         4.119e-06   3.596e-06    -5.385    -5.444    -0.059    122.72
+   CaOH+           3.737e-08   3.233e-08    -7.427    -7.490    -0.063     (0)  
+   CaHSO4+         1.067e-10   9.230e-11    -9.972   -10.035    -0.063     (0)  
 Cl            5.000e-03
-   Cl-             5.000e-03   4.309e-03    -2.301    -2.366    -0.065     18.19
-   FeCl+           1.065e-10   9.209e-11    -9.973   -10.036    -0.063     (0)  
-   HCl             1.910e-11   1.953e-11   -10.719   -10.709     0.010     (0)  
-   FeCl+2          5.223e-26   2.966e-26   -25.282   -25.528    -0.246     (0)  
-   FeCl2+          6.577e-28   5.709e-28   -27.182   -27.243    -0.061     (0)  
-   FeCl3           2.447e-31   2.460e-31   -30.611   -30.609     0.002     (0)  
-Fe(2)         3.488e-08
-   Fe+2            2.668e-08   1.548e-08    -7.574    -7.810    -0.236    -21.80
-   FeSO4           6.531e-09   6.565e-09    -8.185    -8.183     0.002     18.97
-   FeHCO3+         6.511e-10   5.630e-10    -9.186    -9.250    -0.063     (0)  
-   FeCO3           4.789e-10   4.814e-10    -9.320    -9.318     0.002     (0)  
-   FeOH+           4.285e-10   3.720e-10    -9.368    -9.429    -0.061     (0)  
-   FeCl+           1.065e-10   9.209e-11    -9.973   -10.036    -0.063     (0)  
-   Fe(OH)2         2.393e-13   2.406e-13   -12.621   -12.619     0.002     (0)  
-   Fe(OH)3-        7.823e-16   6.790e-16   -15.107   -15.168    -0.061     (0)  
-   FeHSO4+         6.566e-16   5.677e-16   -15.183   -15.246    -0.063     (0)  
-   Fe(HS)2         2.144e-18   2.155e-18   -17.669   -17.667     0.002     (0)  
-   Fe(HS)3-        1.072e-25   9.273e-26   -24.970   -25.033    -0.063     (0)  
+   Cl-             5.000e-03   4.311e-03    -2.301    -2.365    -0.064     18.18
+   FeCl+           1.075e-10   9.302e-11    -9.968   -10.031    -0.063     (0)  
+   HCl             1.919e-11   1.961e-11   -10.717   -10.708     0.010     (0)  
+   FeCl+2          5.272e-26   2.999e-26   -25.278   -25.523    -0.245     (0)  
+   FeCl2+          6.651e-28   5.776e-28   -27.177   -27.238    -0.061     (0)  
+   FeCl3           2.478e-31   2.490e-31   -30.606   -30.604     0.002     (0)  
+Fe(2)         3.499e-08
+   Fe+2            2.689e-08   1.563e-08    -7.570    -7.806    -0.236    -21.80
+   FeSO4           6.427e-09   6.460e-09    -8.192    -8.190     0.002     18.97
+   FeHCO3+         6.547e-10   5.664e-10    -9.184    -9.247    -0.063     (0)  
+   FeCO3           4.801e-10   4.825e-10    -9.319    -9.316     0.002     (0)  
+   FeOH+           4.309e-10   3.742e-10    -9.366    -9.427    -0.061     (0)  
+   FeCl+           1.075e-10   9.302e-11    -9.968   -10.031    -0.063     (0)  
+   Fe(OH)2         2.399e-13   2.411e-13   -12.620   -12.618     0.002     (0)  
+   Fe(OH)3-        7.810e-16   6.783e-16   -15.107   -15.169    -0.061     (0)  
+   FeHSO4+         6.481e-16   5.607e-16   -15.188   -15.251    -0.063     (0)  
+   Fe(HS)2         2.154e-18   2.165e-18   -17.667   -17.664     0.002     (0)  
+   Fe(HS)3-        1.075e-25   9.297e-26   -24.969   -25.032    -0.063     (0)  
 Fe(3)         3.282e-14
    Fe(OH)3         2.739e-14   2.753e-14   -13.562   -13.560     0.002     (0)  
-   Fe(OH)2+        3.233e-15   2.813e-15   -14.490   -14.551    -0.060     (0)  
-   Fe(OH)4-        2.193e-15   1.908e-15   -14.659   -14.719    -0.060     (0)  
-   FeOH+2          1.969e-19   1.118e-19   -18.706   -18.952    -0.246     (0)  
-   FeSO4+          6.864e-24   5.959e-24   -23.163   -23.225    -0.061     (0)  
-   Fe+3            6.842e-25   2.279e-25   -24.165   -24.642    -0.477     (0)  
-   Fe(SO4)2-       3.595e-25   3.109e-25   -24.444   -24.507    -0.063     (0)  
-   FeCl+2          5.223e-26   2.966e-26   -25.282   -25.528    -0.246     (0)  
-   FeCl2+          6.577e-28   5.709e-28   -27.182   -27.243    -0.061     (0)  
-   FeHSO4+2        3.756e-31   2.099e-31   -30.425   -30.678    -0.253     (0)  
-   FeCl3           2.447e-31   2.460e-31   -30.611   -30.609     0.002     (0)  
-   Fe2(OH)2+4      3.446e-36   3.365e-37   -35.463   -36.473    -1.010     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -47.125   -48.704    -1.579     (0)  
-H(0)          1.026e-11
-   H2              5.130e-12   5.157e-12   -11.290   -11.288     0.002     28.61
+   Fe(OH)2+        3.243e-15   2.823e-15   -14.489   -14.549    -0.060     (0)  
+   Fe(OH)4-        2.184e-15   1.901e-15   -14.661   -14.721    -0.060     (0)  
+   FeOH+2          1.979e-19   1.126e-19   -18.703   -18.948    -0.245     (0)  
+   FeSO4+          6.759e-24   5.870e-24   -23.170   -23.231    -0.061     (0)  
+   Fe+3            6.894e-25   2.304e-25   -24.162   -24.638    -0.476     (0)  
+   Fe(SO4)2-       3.451e-25   2.985e-25   -24.462   -24.525    -0.063     (0)  
+   FeCl+2          5.272e-26   2.999e-26   -25.278   -25.523    -0.245     (0)  
+   FeCl2+          6.651e-28   5.776e-28   -27.177   -27.238    -0.061     (0)  
+   FeHSO4+2        3.706e-31   2.076e-31   -30.431   -30.683    -0.252     (0)  
+   FeCl3           2.478e-31   2.490e-31   -30.606   -30.604     0.002     (0)  
+   Fe2(OH)2+4      3.468e-36   3.413e-37   -35.460   -36.467    -1.007     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -47.123   -48.696    -1.573     (0)  
+H(0)          1.031e-11
+   H2              5.156e-12   5.183e-12   -11.288   -11.285     0.002     28.61
 Na            5.000e-03
-   Na+             4.951e-03   4.293e-03    -2.305    -2.367    -0.062     -1.31
-   NaSO4-          4.771e-05   3.999e-05    -4.321    -4.398    -0.077     15.13
-   NaHCO3          1.031e-06   1.044e-06    -5.987    -5.981     0.005     28.00
-   NaOH            3.285e-19   3.302e-19   -18.484   -18.481     0.002     (0)  
+   Na+             4.817e-03   4.179e-03    -2.317    -2.379    -0.062     -1.31
+   NaSO4-          1.816e-04   1.581e-04    -3.741    -3.801    -0.060    -12.22
+   NaHCO3          1.305e-06   1.319e-06    -5.884    -5.880     0.004     31.73
+   NaOH            3.186e-19   3.202e-19   -18.497   -18.495     0.002     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -69.807   -69.805     0.002     30.40
-S(-2)         5.046e-10
-   HS-             4.593e-10   3.952e-10    -9.338    -9.403    -0.065     20.71
-   H2S             4.522e-11   4.546e-11   -10.345   -10.342     0.002     36.27
-   S-2             6.389e-15   3.628e-15   -14.195   -14.440    -0.246     (0)  
-   Fe(HS)2         2.144e-18   2.155e-18   -17.669   -17.667     0.002     (0)  
-   (H2S)2          1.083e-22   1.089e-22   -21.965   -21.963     0.002     30.09
-   Fe(HS)3-        1.072e-25   9.273e-26   -24.970   -25.033    -0.063     (0)  
+   O2              0.000e+00   0.000e+00   -69.812   -69.809     0.002     30.40
+S(-2)         5.033e-10
+   HS-             4.580e-10   3.943e-10    -9.339    -9.404    -0.065     20.71
+   H2S             4.528e-11   4.552e-11   -10.344   -10.342     0.002     36.27
+   S-2             6.339e-15   3.607e-15   -14.198   -14.443    -0.245     (0)  
+   Fe(HS)2         2.154e-18   2.165e-18   -17.667   -17.664     0.002     (0)  
+   (H2S)2          1.086e-22   1.092e-22   -21.964   -21.962     0.002     30.09
+   Fe(HS)3-        1.075e-25   9.297e-26   -24.969   -25.032    -0.063     (0)  
 S(6)          5.333e-03
-   SO4-2           4.208e-03   2.384e-03    -2.376    -2.623    -0.247     15.24
-   CaSO4           1.078e-03   1.083e-03    -2.967    -2.965     0.002      7.50
-   NaSO4-          4.771e-05   3.999e-05    -4.321    -4.398    -0.077     15.13
-   FeSO4           6.531e-09   6.565e-09    -8.185    -8.183     0.002     18.97
-   HSO4-           3.528e-09   3.050e-09    -8.453    -8.516    -0.063     40.39
-   CaHSO4+         1.084e-10   9.369e-11    -9.965   -10.028    -0.063     (0)  
-   FeHSO4+         6.566e-16   5.677e-16   -15.183   -15.246    -0.063     (0)  
-   FeSO4+          6.864e-24   5.959e-24   -23.163   -23.225    -0.061     (0)  
-   Fe(SO4)2-       3.595e-25   3.109e-25   -24.444   -24.507    -0.063     (0)  
-   FeHSO4+2        3.756e-31   2.099e-31   -30.425   -30.678    -0.253     (0)  
+   SO4-2           4.094e-03   2.324e-03    -2.388    -2.634    -0.246     19.46
+   CaSO4           1.058e-03   1.064e-03    -2.975    -2.973     0.002      7.50
+   NaSO4-          1.816e-04   1.581e-04    -3.741    -3.801    -0.060    -12.22
+   FeSO4           6.427e-09   6.460e-09    -8.192    -8.190     0.002     18.97
+   HSO4-           3.449e-09   2.984e-09    -8.462    -8.525    -0.063     40.39
+   CaHSO4+         1.067e-10   9.230e-11    -9.972   -10.035    -0.063     (0)  
+   FeHSO4+         6.481e-16   5.607e-16   -15.188   -15.251    -0.063     (0)  
+   FeSO4+          6.759e-24   5.870e-24   -23.170   -23.231    -0.061     (0)  
+   Fe(SO4)2-       3.451e-25   2.985e-25   -24.462   -24.525    -0.063     (0)  
+   FeHSO4+2        3.706e-31   2.076e-31   -30.431   -30.683    -0.252     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -0.94     -5.22   -4.28  CaSO4
+  Anhydrite        -0.95     -5.22   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)          -10.33    -13.13   -2.80  CH4
+  CH4(g)          -10.32    -13.12   -2.80  CH4
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
   FeS(ppt)         -5.42     -9.33   -3.92  FeS
-  Goethite          0.00     -1.00   -1.00  FeOOH
-  Gypsum           -0.63     -5.22   -4.58  CaSO4:2H2O
-  H2(g)            -8.19    -11.29   -3.10  H2
+  Goethite         -0.00     -1.00   -1.00  FeOOH
+  Gypsum           -0.64     -5.22   -4.58  CaSO4:2H2O
+  H2(g)            -8.18    -11.29   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   H2S(g)           -9.35    -17.28   -7.94  H2S
-  Halite           -6.30     -4.73    1.57  NaCl
+  Halite           -6.31     -4.74    1.57  NaCl
   Hematite          2.01     -2.00   -4.01  Fe2O3
   Mackinawite      -4.68     -9.33   -4.65  FeS
-  Melanterite      -8.22    -10.43   -2.21  FeSO4:7H2O
-  Mirabilite       -6.12     -7.36   -1.24  Na2SO4:10H2O
-  O2(g)           -66.91    -69.81   -2.89  O2
-  Pyrite            0.00    -18.48  -18.48  FeS2
+  Melanterite      -8.23    -10.44   -2.21  FeSO4:7H2O
+  Mirabilite       -6.15     -7.39   -1.24  Na2SO4:10H2O
+  O2(g)           -66.92    -69.81   -2.89  O2
+  Pyrite           -0.00    -18.48  -18.48  FeS2
   Siderite         -2.81    -13.70  -10.89  FeCO3
-  Sulfur           -7.09     -2.20    4.88  S
-  Thenardite       -7.06     -7.36   -0.30  Na2SO4
+  Sulfur           -7.09     -2.21    4.88  S
+  Thenardite       -7.09     -7.39   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -847,157 +848,157 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.002e+01   1.582e-02
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.002e+01   1.583e-02
 Calcite           0.00    -8.48     -8.48    1.000e+01   9.984e+00  -1.617e-02
-Goethite          0.00    -1.00     -1.00    1.000e+01   1.001e+01   8.000e-03
-Gypsum           -0.01    -4.59     -4.58    0.000e+00           0   0.000e+00
+Goethite         -0.00    -1.00     -1.00    1.000e+01   1.001e+01   8.000e-03
+Gypsum           -0.03    -4.61     -4.58    0.000e+00           0   0.000e+00
 Pyrite            0.00   -18.48    -18.48    1.000e+01   9.992e+00  -8.000e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 3.509e-04   3.509e-04
-	Ca                1.618e-02   1.617e-02
+	C                 3.341e-04   3.340e-04
+	Ca                1.617e-02   1.617e-02
 	Cl                1.500e-02   1.500e-02
-	Fe                8.187e-08   8.187e-08
+	Fe                8.228e-08   8.227e-08
 	Na                1.500e-02   1.500e-02
 	S                 1.600e-02   1.600e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.725      Charge balance
-                                       pe  =  -3.573      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 4079
-                          Density (g/cm³)  =   0.99984
-                               Volume (L)  =   1.00316
-                        Viscosity (mPa s)  =   0.89935
+                                       pH  =   7.722      Charge balance
+                                       pe  =  -3.572      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 4332
+                          Density (g/cm³)  =   0.99980
+                               Volume (L)  =   1.00321
+                        Viscosity (mPa s)  =   0.89930
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   6.093e-02
+                 Ionic strength (mol/kgw)  =   6.003e-02
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   3.478e-04
-                       Total CO2 (mol/kg)  =   3.509e-04
+                 Total alkalinity (eq/kg)  =   3.310e-04
+                       Total CO2 (mol/kg)  =   3.341e-04
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.211e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  25
                                   Total H  = 1.110044e+02
-                                  Total O  = 5.556709e+01
+                                  Total O  = 5.556705e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             6.733e-07   5.372e-07    -6.172    -6.270    -0.098     -3.84
-   H+              2.226e-08   1.882e-08    -7.653    -7.725    -0.073      0.00
+   OH-             6.668e-07   5.327e-07    -6.176    -6.274    -0.097     -3.84
+   H+              2.243e-08   1.898e-08    -7.649    -7.722    -0.072      0.00
    H2O             5.551e+01   9.990e-01     1.744    -0.000     0.000     18.07
-C(-4)         1.588e-14
-   CH4             1.588e-14   1.611e-14   -13.799   -13.793     0.006     35.46
-C(4)          3.509e-04
-   HCO3-           3.108e-04   2.540e-04    -3.508    -3.595    -0.088     24.93
-   CaHCO3+         2.061e-05   1.696e-05    -4.686    -4.771    -0.085      9.81
+C(-4)         1.646e-14
+   CH4             1.646e-14   1.669e-14   -13.784   -13.778     0.006     35.46
+C(4)          3.341e-04
+   HCO3-           3.078e-04   2.519e-04    -3.512    -3.599    -0.087     24.82
    CO2             1.066e-05   1.076e-05    -4.972    -4.968     0.004     34.43
-   CaCO3           5.486e-06   5.563e-06    -5.261    -5.255     0.006    -14.60
-   NaHCO3          1.966e-06   2.030e-06    -5.706    -5.692     0.014     28.00
-   CO3-2           1.418e-06   6.329e-07    -5.848    -6.199    -0.350     -3.13
-   FeHCO3+         8.217e-10   6.654e-10    -9.085    -9.177    -0.092     (0)  
-   FeCO3           3.922e-10   3.977e-10    -9.407    -9.400     0.006     (0)  
+   CaHCO3+         6.277e-06   5.170e-06    -5.202    -5.286    -0.084    122.77
+   CaCO3           5.487e-06   5.563e-06    -5.261    -5.255     0.006    -14.60
+   NaHCO3          2.424e-06   2.492e-06    -5.615    -5.603     0.012     31.73
+   CO3-2           1.388e-06   6.223e-07    -5.858    -6.206    -0.348     -3.08
+   FeHCO3+         8.315e-10   6.740e-10    -9.080    -9.171    -0.091     (0)  
+   FeCO3           3.940e-10   3.995e-10    -9.405    -9.399     0.006     (0)  
    (CO2)2          2.096e-12   2.125e-12   -11.679   -11.673     0.006     68.87
-Ca            1.618e-02
-   Ca+2            1.167e-02   5.232e-03    -1.933    -2.281    -0.348    -17.57
-   CaSO4           4.483e-03   4.546e-03    -2.348    -2.342     0.006      7.50
-   CaHCO3+         2.061e-05   1.696e-05    -4.686    -4.771    -0.085      9.81
-   CaCO3           5.486e-06   5.563e-06    -5.261    -5.255     0.006    -14.60
-   CaOH+           5.692e-08   4.609e-08    -7.245    -7.336    -0.092     (0)  
-   CaHSO4+         6.946e-10   5.625e-10    -9.158    -9.250    -0.092     (0)  
+Ca            1.617e-02
+   Ca+2            1.182e-02   5.322e-03    -1.927    -2.274    -0.347    -17.57
+   CaSO4           4.337e-03   4.397e-03    -2.363    -2.357     0.006      7.50
+   CaHCO3+         6.277e-06   5.170e-06    -5.202    -5.286    -0.084    122.77
+   CaCO3           5.487e-06   5.563e-06    -5.261    -5.255     0.006    -14.60
+   CaOH+           5.734e-08   4.648e-08    -7.242    -7.333    -0.091     (0)  
+   CaHSO4+         6.768e-10   5.486e-10    -9.170    -9.261    -0.091     (0)  
 Cl            1.500e-02
-   Cl-             1.500e-02   1.202e-02    -1.824    -1.920    -0.096     18.27
-   FeCl+           5.367e-10   4.346e-10    -9.270    -9.362    -0.092     (0)  
-   HCl             7.342e-11   7.793e-11   -10.134   -10.108     0.026     (0)  
-   FeCl+2          5.534e-25   2.425e-25   -24.257   -24.615    -0.358     (0)  
-   FeCl2+          1.600e-26   1.302e-26   -25.796   -25.885    -0.090     (0)  
-   FeCl3           1.543e-29   1.565e-29   -28.812   -28.805     0.006     (0)  
-Fe(2)         8.187e-08
-   Fe+2            5.714e-08   2.619e-08    -7.243    -7.582    -0.339    -21.59
-   FeSO4           2.244e-08   2.276e-08    -7.649    -7.643     0.006     18.97
-   FeHCO3+         8.217e-10   6.654e-10    -9.085    -9.177    -0.092     (0)  
-   FeOH+           5.403e-10   4.396e-10    -9.267    -9.357    -0.090     (0)  
-   FeCl+           5.367e-10   4.346e-10    -9.270    -9.362    -0.092     (0)  
-   FeCO3           3.922e-10   3.977e-10    -9.407    -9.400     0.006     (0)  
-   Fe(OH)2         1.958e-13   1.986e-13   -12.708   -12.702     0.006     (0)  
-   FeHSO4+         3.477e-15   2.816e-15   -14.459   -14.550    -0.092     (0)  
-   Fe(OH)3-        4.814e-16   3.917e-16   -15.318   -15.407    -0.090     (0)  
-   Fe(HS)2         1.449e-18   1.469e-18   -17.839   -17.833     0.006     (0)  
-   Fe(HS)3-        4.955e-26   4.013e-26   -25.305   -25.397    -0.092     (0)  
-Fe(3)         3.368e-14
-   Fe(OH)3         2.713e-14   2.752e-14   -13.567   -13.560     0.006     (0)  
-   Fe(OH)2+        4.923e-15   4.024e-15   -14.308   -14.395    -0.088     (0)  
-   Fe(OH)4-        1.629e-15   1.332e-15   -14.788   -14.876    -0.088     (0)  
-   FeOH+2          5.225e-19   2.290e-19   -18.282   -18.640    -0.358     (0)  
-   FeSO4+          4.399e-23   3.580e-23   -22.357   -22.446    -0.090     (0)  
-   Fe(SO4)2-       4.726e-24   3.827e-24   -23.326   -23.417    -0.092     (0)  
-   Fe+3            3.019e-24   6.681e-25   -23.520   -24.175    -0.655     (0)  
-   FeCl+2          5.534e-25   2.425e-25   -24.257   -24.615    -0.358     (0)  
-   FeCl2+          1.600e-26   1.302e-26   -25.796   -25.885    -0.090     (0)  
-   FeCl3           1.543e-29   1.565e-29   -28.812   -28.805     0.006     (0)  
-   FeHSO4+2        4.196e-30   1.804e-30   -29.377   -29.744    -0.367     (0)  
-   Fe2(OH)2+4      4.129e-35   1.411e-36   -34.384   -35.851    -1.466     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -45.635   -47.926    -2.291     (0)  
-H(0)          6.934e-12
-   H2              3.467e-12   3.516e-12   -11.460   -11.454     0.006     28.61
+   Cl-             1.500e-02   1.203e-02    -1.824    -1.920    -0.096     18.27
+   FeCl+           5.484e-10   4.446e-10    -9.261    -9.352    -0.091     (0)  
+   HCl             7.420e-11   7.870e-11   -10.130   -10.104     0.026     (0)  
+   FeCl+2          5.659e-25   2.491e-25   -24.247   -24.604    -0.356     (0)  
+   FeCl2+          1.644e-26   1.339e-26   -25.784   -25.873    -0.089     (0)  
+   FeCl3           1.589e-29   1.611e-29   -28.799   -28.793     0.006     (0)  
+Fe(2)         8.228e-08
+   Fe+2            5.815e-08   2.676e-08    -7.235    -7.573    -0.337    -21.59
+   FeSO4           2.181e-08   2.211e-08    -7.661    -7.655     0.006     18.97
+   FeHCO3+         8.315e-10   6.740e-10    -9.080    -9.171    -0.091     (0)  
+   FeCl+           5.484e-10   4.446e-10    -9.261    -9.352    -0.091     (0)  
+   FeOH+           5.468e-10   4.454e-10    -9.262    -9.351    -0.089     (0)  
+   FeCO3           3.940e-10   3.995e-10    -9.405    -9.399     0.006     (0)  
+   Fe(OH)2         1.968e-13   1.995e-13   -12.706   -12.700     0.006     (0)  
+   FeHSO4+         3.403e-15   2.759e-15   -14.468   -14.559    -0.091     (0)  
+   Fe(OH)3-        4.789e-16   3.901e-16   -15.320   -15.409    -0.089     (0)  
+   Fe(HS)2         1.462e-18   1.482e-18   -17.835   -17.829     0.006     (0)  
+   Fe(HS)3-        4.963e-26   4.023e-26   -25.304   -25.395    -0.091     (0)  
+Fe(3)         3.371e-14
+   Fe(OH)3         2.714e-14   2.752e-14   -13.566   -13.560     0.006     (0)  
+   Fe(OH)2+        4.960e-15   4.058e-15   -14.305   -14.392    -0.087     (0)  
+   Fe(OH)4-        1.614e-15   1.321e-15   -14.792   -14.879    -0.087     (0)  
+   FeOH+2          5.291e-19   2.329e-19   -18.276   -18.633    -0.356     (0)  
+   FeSO4+          4.287e-23   3.492e-23   -22.368   -22.457    -0.089     (0)  
+   Fe(SO4)2-       4.378e-24   3.549e-24   -23.359   -23.450    -0.091     (0)  
+   Fe+3            3.077e-24   6.853e-25   -23.512   -24.164    -0.652     (0)  
+   FeCl+2          5.659e-25   2.491e-25   -24.247   -24.604    -0.356     (0)  
+   FeCl2+          1.644e-26   1.339e-26   -25.784   -25.873    -0.089     (0)  
+   FeCl3           1.589e-29   1.611e-29   -28.799   -28.793     0.006     (0)  
+   FeHSO4+2        4.110e-30   1.775e-30   -29.386   -29.751    -0.365     (0)  
+   Fe2(OH)2+4      4.199e-35   1.460e-36   -34.377   -35.836    -1.459     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -45.628   -47.907    -2.280     (0)  
+H(0)          6.997e-12
+   H2              3.499e-12   3.547e-12   -11.456   -11.450     0.006     28.61
 Na            1.500e-02
-   Na+             1.469e-02   1.195e-02    -1.833    -1.922    -0.090     -1.18
-   NaSO4-          3.049e-04   2.282e-04    -3.516    -3.642    -0.126     15.75
-   NaHCO3          1.966e-06   2.030e-06    -5.706    -5.692     0.014     28.00
-   NaOH            6.333e-19   6.423e-19   -18.198   -18.192     0.006     (0)  
+   Na+             1.395e-02   1.136e-02    -1.855    -1.945    -0.089     -1.18
+   NaSO4-          1.049e-03   8.593e-04    -2.979    -3.066    -0.087     -7.84
+   NaHCO3          2.424e-06   2.492e-06    -5.615    -5.603     0.012     31.73
+   NaOH            5.969e-19   6.052e-19   -18.224   -18.218     0.006     (0)  
 O(0)          0.000e+00
-   O2              0.000e+00   0.000e+00   -69.479   -69.473     0.006     30.40
-S(-2)         3.551e-10
-   HS-             3.144e-10   2.509e-10    -9.503    -9.601    -0.098     20.81
-   H2S             4.071e-11   4.128e-11   -10.390   -10.384     0.006     36.27
-   S-2             3.673e-15   1.610e-15   -14.435   -14.793    -0.358     (0)  
-   Fe(HS)2         1.449e-18   1.469e-18   -17.839   -17.833     0.006     (0)  
-   (H2S)2          8.855e-23   8.980e-23   -22.053   -22.047     0.006     30.09
-   Fe(HS)3-        4.955e-26   4.013e-26   -25.305   -25.397    -0.092     (0)  
+   O2              0.000e+00   0.000e+00   -69.487   -69.481     0.006     30.40
+S(-2)         3.528e-10
+   HS-             3.120e-10   2.493e-10    -9.506    -9.603    -0.097     20.80
+   H2S             4.081e-11   4.137e-11   -10.389   -10.383     0.006     36.27
+   S-2             3.604e-15   1.586e-15   -14.443   -14.800    -0.356     (0)  
+   Fe(HS)2         1.462e-18   1.482e-18   -17.835   -17.829     0.006     (0)  
+   (H2S)2          8.897e-23   9.020e-23   -22.051   -22.045     0.006     30.09
+   Fe(HS)3-        4.963e-26   4.023e-26   -25.304   -25.395    -0.091     (0)  
 S(6)          1.600e-02
-   SO4-2           1.121e-02   4.886e-03    -1.950    -2.311    -0.361     15.60
-   CaSO4           4.483e-03   4.546e-03    -2.348    -2.342     0.006      7.50
-   NaSO4-          3.049e-04   2.282e-04    -3.516    -3.642    -0.126     15.75
-   FeSO4           2.244e-08   2.276e-08    -7.649    -7.643     0.006     18.97
-   HSO4-           1.104e-08   8.942e-09    -7.957    -8.049    -0.092     40.47
-   CaHSO4+         6.946e-10   5.625e-10    -9.158    -9.250    -0.092     (0)  
-   FeHSO4+         3.477e-15   2.816e-15   -14.459   -14.550    -0.092     (0)  
-   FeSO4+          4.399e-23   3.580e-23   -22.357   -22.446    -0.090     (0)  
-   Fe(SO4)2-       4.726e-24   3.827e-24   -23.326   -23.417    -0.092     (0)  
-   FeHSO4+2        4.196e-30   1.804e-30   -29.377   -29.744    -0.367     (0)  
+   SO4-2           1.062e-02   4.647e-03    -1.974    -2.333    -0.359     22.36
+   CaSO4           4.337e-03   4.397e-03    -2.363    -2.357     0.006      7.50
+   NaSO4-          1.049e-03   8.593e-04    -2.979    -3.066    -0.087     -7.84
+   FeSO4           2.181e-08   2.211e-08    -7.661    -7.655     0.006     18.97
+   HSO4-           1.058e-08   8.575e-09    -7.976    -8.067    -0.091     40.47
+   CaHSO4+         6.768e-10   5.486e-10    -9.170    -9.261    -0.091     (0)  
+   FeHSO4+         3.403e-15   2.759e-15   -14.468   -14.559    -0.091     (0)  
+   FeSO4+          4.287e-23   3.492e-23   -22.368   -22.457    -0.089     (0)  
+   Fe(SO4)2-       4.378e-24   3.549e-24   -23.359   -23.450    -0.091     (0)  
+   FeHSO4+2        4.110e-30   1.775e-30   -29.386   -29.751    -0.365     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Anhydrite        -0.31     -4.59   -4.28  CaSO4
+  Anhydrite        -0.33     -4.61   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
   Calcite           0.00     -8.48   -8.48  CaCO3
-  CH4(g)          -10.99    -13.79   -2.80  CH4
+  CH4(g)          -10.98    -13.78   -2.80  CH4
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
-  FeS(ppt)         -5.54     -9.46   -3.92  FeS
-  Goethite          0.00     -1.00   -1.00  FeOOH
-  Gypsum           -0.01     -4.59   -4.58  CaSO4:2H2O
+  FeS(ppt)         -5.54     -9.45   -3.92  FeS
+  Goethite         -0.00     -1.00   -1.00  FeOOH
+  Gypsum           -0.03     -4.61   -4.58  CaSO4:2H2O
   H2(g)            -8.35    -11.45   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  H2S(g)           -9.39    -17.33   -7.94  H2S
-  Halite           -5.41     -3.84    1.57  NaCl
+  H2S(g)           -9.39    -17.32   -7.94  H2S
+  Halite           -5.43     -3.86    1.57  NaCl
   Hematite          2.01     -2.00   -4.01  Fe2O3
-  Mackinawite      -4.81     -9.46   -4.65  FeS
-  Melanterite      -7.69     -9.90   -2.21  FeSO4:7H2O
-  Mirabilite       -4.92     -6.16   -1.24  Na2SO4:10H2O
-  O2(g)           -66.58    -69.47   -2.89  O2
+  Mackinawite      -4.81     -9.45   -4.65  FeS
+  Melanterite      -7.70     -9.91   -2.21  FeSO4:7H2O
+  Mirabilite       -4.99     -6.23   -1.24  Na2SO4:10H2O
+  O2(g)           -66.59    -69.48   -2.89  O2
   Pyrite            0.00    -18.48  -18.48  FeS2
   Siderite         -2.89    -13.78  -10.89  FeCO3
-  Sulfur           -6.96     -2.08    4.88  S
-  Thenardite       -5.86     -6.16   -0.30  Na2SO4
+  Sulfur           -6.97     -2.08    4.88  S
+  Thenardite       -5.92     -6.22   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
@@ -1029,130 +1030,130 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.003e+01   2.649e-02
-Calcite          -0.00    -8.48     -8.48    1.000e+01   9.973e+00  -2.684e-02
+CO2(g)           -3.50    -4.97     -1.47    1.000e+01   1.003e+01   2.650e-02
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.973e+00  -2.683e-02
 Goethite         -0.00    -1.00     -1.00    1.000e+01   1.001e+01   1.333e-02
-Gypsum            0.00    -4.58     -4.58    0.000e+00   9.631e-03   9.631e-03
-Pyrite            0.00   -18.48    -18.48    1.000e+01   9.987e+00  -1.333e-02
+Gypsum            0.00    -4.58     -4.58    0.000e+00   8.976e-03   8.976e-03
+Pyrite           -0.00   -18.48    -18.48    1.000e+01   9.987e+00  -1.333e-02
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 3.534e-04   3.532e-04
-	Ca                1.722e-02   1.721e-02
+	C                 3.317e-04   3.315e-04
+	Ca                1.786e-02   1.786e-02
 	Cl                2.501e-02   2.500e-02
-	Fe                8.704e-08   8.700e-08
+	Fe                9.033e-08   9.029e-08
 	Na                2.501e-02   2.500e-02
-	S                 1.704e-02   1.704e-02
+	S                 1.770e-02   1.769e-02
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   7.720      Charge balance
-                                       pe  =  -3.567      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 5286
-                          Density (g/cm³)  =   1.00040
-                               Volume (L)  =   1.00294
-                        Viscosity (mPa s)  =   0.90015
+                                       pH  =   7.709      Charge balance
+                                       pe  =  -3.556      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 5635
+                          Density (g/cm³)  =   1.00044
+                               Volume (L)  =   1.00301
+                        Viscosity (mPa s)  =   0.90053
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   7.428e-02
-                       Mass of water (kg)  =   9.995e-01
-                 Total alkalinity (eq/kg)  =   3.504e-04
-                       Total CO2 (mol/kg)  =   3.534e-04
+                 Ionic strength (mol/kgw)  =   7.442e-02
+                       Mass of water (kg)  =   9.996e-01
+                 Total alkalinity (eq/kg)  =   3.286e-04
+                       Total CO2 (mol/kg)  =   3.317e-04
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -1.163e-09
+                  Electrical balance (eq)  =  -1.182e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  25
-                                  Total H  = 1.109606e+02
-                                  Total O  = 5.554932e+01
+                                  Total H  = 1.109632e+02
+                                  Total O  = 5.555319e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   OH-             6.774e-07   5.309e-07    -6.169    -6.275    -0.106     -3.80
-   H+              2.273e-08   1.904e-08    -7.643    -7.720    -0.077      0.00
+   OH-             6.607e-07   5.177e-07    -6.180    -6.286    -0.106     -3.80
+   H+              2.331e-08   1.952e-08    -7.632    -7.709    -0.077      0.00
    H2O             5.551e+01   9.986e-01     1.744    -0.001     0.000     18.07
 C(-4)         1.539e-14
    CH4             1.539e-14   1.566e-14   -13.813   -13.805     0.007     35.46
-C(4)          3.534e-04
-   HCO3-           3.115e-04   2.510e-04    -3.507    -3.600    -0.094     24.99
-   CaHCO3+         2.112e-05   1.715e-05    -4.675    -4.766    -0.090      9.82
+C(4)          3.317e-04
+   HCO3-           3.038e-04   2.448e-04    -3.517    -3.611    -0.094     24.86
    CO2             1.064e-05   1.076e-05    -4.973    -4.968     0.005     34.43
+   CaHCO3+         6.550e-06   5.318e-06    -5.184    -5.274    -0.090    122.78
    CaCO3           5.469e-06   5.563e-06    -5.262    -5.255     0.007    -14.60
-   NaHCO3          3.170e-06   3.297e-06    -5.499    -5.482     0.017     28.00
-   CO3-2           1.466e-06   6.184e-07    -5.834    -6.209    -0.375     -3.01
-   FeHCO3+         8.404e-10   6.709e-10    -9.075    -9.173    -0.098     (0)  
+   NaHCO3          3.843e-06   3.977e-06    -5.415    -5.400     0.015     31.73
+   CO3-2           1.394e-06   5.880e-07    -5.856    -6.231    -0.375     -2.97
+   FeHCO3+         8.620e-10   6.880e-10    -9.064    -9.162    -0.098     (0)  
    FeCO3           3.897e-10   3.964e-10    -9.409    -9.402     0.007     (0)  
    (CO2)2          2.089e-12   2.125e-12   -11.680   -11.673     0.007     68.87
-Ca            1.722e-02
-   Ca+2            1.261e-02   5.355e-03    -1.899    -2.271    -0.372    -17.52
+Ca            1.786e-02
+   Ca+2            1.327e-02   5.632e-03    -1.877    -2.249    -0.372    -17.52
    CaSO4           4.585e-03   4.664e-03    -2.339    -2.331     0.007      7.50
-   CaHCO3+         2.112e-05   1.715e-05    -4.675    -4.766    -0.090      9.82
+   CaHCO3+         6.550e-06   5.318e-06    -5.184    -5.274    -0.090    122.78
    CaCO3           5.469e-06   5.563e-06    -5.262    -5.255     0.007    -14.60
-   CaOH+           5.840e-08   4.662e-08    -7.234    -7.331    -0.098     (0)  
-   CaHSO4+         7.313e-10   5.837e-10    -9.136    -9.234    -0.098     (0)  
+   CaOH+           5.990e-08   4.781e-08    -7.223    -7.320    -0.098     (0)  
+   CaHSO4+         7.500e-10   5.986e-10    -9.125    -9.223    -0.098     (0)  
 Cl            2.501e-02
    Cl-             2.501e-02   1.970e-02    -1.602    -1.706    -0.104     18.30
-   FeCl+           9.105e-10   7.268e-10    -9.041    -9.139    -0.098     (0)  
-   HCl             1.201e-10   1.292e-10    -9.920    -9.889     0.032     (0)  
-   FeCl+2          9.970e-25   4.117e-25   -24.001   -24.385    -0.384     (0)  
-   FeCl2+          4.520e-26   3.623e-26   -25.345   -25.441    -0.096     (0)  
-   FeCl3           7.017e-29   7.139e-29   -28.154   -28.146     0.007     (0)  
-Fe(2)         8.704e-08
-   Fe+2            6.146e-08   2.672e-08    -7.211    -7.573    -0.362    -21.54
+   FeCl+           9.575e-10   7.642e-10    -9.019    -9.117    -0.098     (0)  
+   HCl             1.232e-10   1.325e-10    -9.910    -9.878     0.032     (0)  
+   FeCl+2          1.076e-24   4.440e-25   -23.968   -24.353    -0.384     (0)  
+   FeCl2+          4.874e-26   3.906e-26   -25.312   -25.408    -0.096     (0)  
+   FeCl3           7.564e-29   7.694e-29   -28.121   -28.114     0.007     (0)  
+Fe(2)         9.033e-08
+   Fe+2            6.467e-08   2.811e-08    -7.189    -7.551    -0.362    -21.54
    FeSO4           2.288e-08   2.328e-08    -7.641    -7.633     0.007     18.97
-   FeCl+           9.105e-10   7.268e-10    -9.041    -9.139    -0.098     (0)  
-   FeHCO3+         8.404e-10   6.709e-10    -9.075    -9.173    -0.098     (0)  
-   FeOH+           5.530e-10   4.433e-10    -9.257    -9.353    -0.096     (0)  
+   FeCl+           9.575e-10   7.642e-10    -9.019    -9.117    -0.098     (0)  
+   FeHCO3+         8.620e-10   6.880e-10    -9.064    -9.162    -0.098     (0)  
+   FeOH+           5.671e-10   4.546e-10    -9.246    -9.342    -0.096     (0)  
    FeCO3           3.897e-10   3.964e-10    -9.409    -9.402     0.007     (0)  
    Fe(OH)2         1.945e-13   1.979e-13   -12.711   -12.704     0.007     (0)  
-   FeHSO4+         3.649e-15   2.913e-15   -14.438   -14.536    -0.098     (0)  
-   Fe(OH)3-        4.811e-16   3.857e-16   -15.318   -15.414    -0.096     (0)  
+   FeHSO4+         3.743e-15   2.987e-15   -14.427   -14.525    -0.098     (0)  
+   Fe(OH)3-        4.692e-16   3.761e-16   -15.329   -15.425    -0.096     (0)  
    Fe(HS)2         1.434e-18   1.458e-18   -17.844   -17.836     0.007     (0)  
-   Fe(HS)3-        4.923e-26   3.930e-26   -25.308   -25.406    -0.098     (0)  
-Fe(3)         3.372e-14
+   Fe(HS)3-        4.801e-26   3.832e-26   -25.319   -25.417    -0.098     (0)  
+Fe(3)         3.381e-14
    Fe(OH)3         2.704e-14   2.751e-14   -13.568   -13.561     0.007     (0)  
-   Fe(OH)2+        5.051e-15   4.070e-15   -14.297   -14.390    -0.094     (0)  
-   Fe(OH)4-        1.633e-15   1.316e-15   -14.787   -14.881    -0.094     (0)  
-   FeOH+2          5.675e-19   2.344e-19   -18.246   -18.630    -0.384     (0)  
-   FeSO4+          4.636e-23   3.716e-23   -22.334   -22.430    -0.096     (0)  
-   Fe(SO4)2-       4.988e-24   3.982e-24   -23.302   -23.400    -0.098     (0)  
-   Fe+3            3.411e-24   6.920e-25   -23.467   -24.160    -0.693     (0)  
-   FeCl+2          9.970e-25   4.117e-25   -24.001   -24.385    -0.384     (0)  
-   FeCl2+          4.520e-26   3.623e-26   -25.345   -25.441    -0.096     (0)  
-   FeCl3           7.017e-29   7.139e-29   -28.154   -28.146     0.007     (0)  
-   FeHSO4+2        4.667e-30   1.895e-30   -29.331   -29.722    -0.391     (0)  
-   Fe2(OH)2+4      5.440e-35   1.478e-36   -34.264   -35.830    -1.566     (0)  
-   Fe3(OH)4+5      0.000e+00   0.000e+00   -45.454   -47.901    -2.447     (0)  
+   Fe(OH)2+        5.180e-15   4.174e-15   -14.286   -14.379    -0.094     (0)  
+   Fe(OH)4-        1.592e-15   1.283e-15   -14.798   -14.892    -0.094     (0)  
+   FeOH+2          5.972e-19   2.465e-19   -18.224   -18.608    -0.384     (0)  
+   FeSO4+          4.755e-23   3.811e-23   -22.323   -22.419    -0.096     (0)  
+   Fe(SO4)2-       4.865e-24   3.883e-24   -23.313   -23.411    -0.098     (0)  
+   Fe+3            3.682e-24   7.463e-25   -23.434   -24.127    -0.693     (0)  
+   FeCl+2          1.076e-24   4.440e-25   -23.968   -24.353    -0.384     (0)  
+   FeCl2+          4.874e-26   3.906e-26   -25.312   -25.408    -0.096     (0)  
+   FeCl3           7.564e-29   7.694e-29   -28.121   -28.114     0.007     (0)  
+   FeHSO4+2        4.910e-30   1.993e-30   -29.309   -29.701    -0.392     (0)  
+   Fe2(OH)2+4      6.031e-35   1.635e-36   -34.220   -35.786    -1.567     (0)  
+   Fe3(OH)4+5      0.000e+00   0.000e+00   -45.398   -47.846    -2.448     (0)  
 H(0)          6.862e-12
    H2              3.431e-12   3.490e-12   -11.465   -11.457     0.007     28.61
 Na            2.501e-02
-   Na+             2.449e-02   1.965e-02    -1.611    -1.707    -0.096     -1.15
-   NaSO4-          5.177e-04   3.759e-04    -3.286    -3.425    -0.139     15.93
-   NaHCO3          3.170e-06   3.297e-06    -5.499    -5.482     0.017     28.00
-   NaOH            1.025e-18   1.043e-18   -17.989   -17.982     0.007     (0)  
+   Na+             2.325e-02   1.865e-02    -1.633    -1.729    -0.096     -1.15
+   NaSO4-          1.753e-03   1.414e-03    -2.756    -2.850    -0.093     -6.75
+   NaHCO3          3.843e-06   3.977e-06    -5.415    -5.400     0.015     31.73
+   NaOH            9.492e-19   9.656e-19   -18.023   -18.015     0.007     (0)  
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -69.474   -69.467     0.007     30.40
-S(-2)         3.562e-10
-   HS-             3.157e-10   2.474e-10    -9.501    -9.607    -0.106     20.83
+S(-2)         3.484e-10
+   HS-             3.079e-10   2.413e-10    -9.512    -9.617    -0.106     20.83
    H2S             4.049e-11   4.119e-11   -10.393   -10.385     0.007     36.27
-   S-2             3.801e-15   1.570e-15   -14.420   -14.804    -0.384     (0)  
+   S-2             3.617e-15   1.493e-15   -14.442   -14.826    -0.384     (0)  
    Fe(HS)2         1.434e-18   1.458e-18   -17.844   -17.836     0.007     (0)  
    (H2S)2          8.789e-23   8.941e-23   -22.056   -22.049     0.007     30.09
-   Fe(HS)3-        4.923e-26   3.930e-26   -25.308   -25.406    -0.098     (0)  
-S(6)          1.704e-02
-   SO4-2           1.194e-02   4.898e-03    -1.923    -2.310    -0.387     15.70
+   Fe(HS)3-        4.801e-26   3.832e-26   -25.319   -25.417    -0.098     (0)  
+S(6)          1.770e-02
+   SO4-2           1.136e-02   4.657e-03    -1.945    -2.332    -0.387     23.18
    CaSO4           4.585e-03   4.664e-03    -2.339    -2.331     0.007      7.50
-   NaSO4-          5.177e-04   3.759e-04    -3.286    -3.425    -0.139     15.93
+   NaSO4-          1.753e-03   1.414e-03    -2.756    -2.850    -0.093     -6.75
    FeSO4           2.288e-08   2.328e-08    -7.641    -7.633     0.007     18.97
-   HSO4-           1.136e-08   9.066e-09    -7.945    -8.043    -0.098     40.50
-   CaHSO4+         7.313e-10   5.837e-10    -9.136    -9.234    -0.098     (0)  
-   FeHSO4+         3.649e-15   2.913e-15   -14.438   -14.536    -0.098     (0)  
-   FeSO4+          4.636e-23   3.716e-23   -22.334   -22.430    -0.096     (0)  
-   Fe(SO4)2-       4.988e-24   3.982e-24   -23.302   -23.400    -0.098     (0)  
-   FeHSO4+2        4.667e-30   1.895e-30   -29.331   -29.722    -0.391     (0)  
+   HSO4-           1.108e-08   8.840e-09    -7.956    -8.054    -0.098     40.50
+   CaHSO4+         7.500e-10   5.986e-10    -9.125    -9.223    -0.098     (0)  
+   FeHSO4+         3.743e-15   2.987e-15   -14.427   -14.525    -0.098     (0)  
+   FeSO4+          4.755e-23   3.811e-23   -22.323   -22.419    -0.096     (0)  
+   Fe(SO4)2-       4.865e-24   3.883e-24   -23.313   -23.411    -0.098     (0)  
+   FeHSO4+2        4.910e-30   1.993e-30   -29.309   -29.701    -0.392     (0)  
 
 ------------------------------Saturation indices-------------------------------
 
@@ -1160,7 +1161,7 @@ S(6)          1.704e-02
 
   Anhydrite        -0.30     -4.58   -4.28  CaSO4
   Aragonite        -0.14     -8.48   -8.34  CaCO3
-  Calcite          -0.00     -8.48   -8.48  CaCO3
+  Calcite           0.00     -8.48   -8.48  CaCO3
   CH4(g)          -11.00    -13.81   -2.80  CH4
   CO2(g)           -3.50     -4.97   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
@@ -1170,16 +1171,16 @@ S(6)          1.704e-02
   H2(g)            -8.36    -11.46   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   H2S(g)           -9.39    -17.33   -7.94  H2S
-  Halite           -4.98     -3.41    1.57  NaCl
+  Halite           -5.00     -3.43    1.57  NaCl
   Hematite          2.01     -2.00   -4.01  Fe2O3
   Mackinawite      -4.81     -9.46   -4.65  FeS
   Melanterite      -7.68     -9.89   -2.21  FeSO4:7H2O
-  Mirabilite       -4.49     -5.73   -1.24  Na2SO4:10H2O
+  Mirabilite       -4.56     -5.80   -1.24  Na2SO4:10H2O
   O2(g)           -66.57    -69.47   -2.89  O2
-  Pyrite            0.00    -18.48  -18.48  FeS2
+  Pyrite           -0.00    -18.48  -18.48  FeS2
   Siderite         -2.89    -13.78  -10.89  FeCO3
   Sulfur           -6.96     -2.08    4.88  S
-  Thenardite       -5.42     -5.72   -0.30  Na2SO4
+  Thenardite       -5.49     -5.79   -0.30  Na2SO4
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
   For ideal gases, phi = 1.
diff --git a/phreeqc3-examples/ex5.sel b/phreeqc3-examples/ex5.sel
index 3dff8160..f577caf6 100644
--- a/phreeqc3-examples/ex5.sel
+++ b/phreeqc3-examples/ex5.sel
@@ -1,8 +1,8 @@
          sim	       state	        soln	      dist_x	        time	        step	          pH	          pe	          Cl	      pyrite	    d_pyrite	    goethite	  d_goethite	     calcite	   d_calcite	      CO2(g)	    d_CO2(g)	      gypsum	    d_gypsum	   si_Gypsum	
            1	      i_soln	           1	         -99	         -99	         -99	           7	           4	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	   -999.9990	
-           1	       react	           1	         -99	           0	           1	     8.27917	    -4.94281	  0.0000e+00	  1.0000e+01	 -3.1435e-08	  1.0000e+01	  1.0959e-08	  9.9995e+00	 -4.9333e-04	  9.9995e+00	 -4.8687e-04	  0.0000e+00	  0.0000e+00	     -6.1255	
-           1	       react	           1	         -99	           0	           2	     8.17027	    -4.28555	  5.0000e-04	  9.9997e+00	 -2.6667e-04	  1.0000e+01	  2.6666e-04	  9.9991e+00	 -9.2684e-04	  1.0000e+01	  1.4257e-04	  0.0000e+00	  0.0000e+00	     -2.0130	
-           1	       react	           1	         -99	           0	           3	     7.97956	    -3.96634	  2.5000e-03	  9.9987e+00	 -1.3333e-03	  1.0001e+01	  1.3333e-03	  9.9971e+00	 -2.9359e-03	  1.0002e+01	  2.3964e-03	  0.0000e+00	  0.0000e+00	     -1.0495	
-           1	       react	           1	         -99	           0	           4	     7.88084	    -3.81205	  5.0001e-03	  9.9973e+00	 -2.6667e-03	  1.0003e+01	  2.6666e-03	  9.9944e+00	 -5.5578e-03	  1.0005e+01	  5.1067e-03	  0.0000e+00	  0.0000e+00	     -0.6331	
-           1	       react	           1	         -99	           0	           5	     7.72534	    -3.57335	  1.5001e-02	  9.9920e+00	 -8.0000e-03	  1.0008e+01	  7.9999e-03	  9.9838e+00	 -1.6174e-02	  1.0016e+01	  1.5823e-02	  0.0000e+00	  0.0000e+00	     -0.0108	
-           1	       react	           1	         -99	           0	           6	     7.72035	    -3.56679	  2.5012e-02	  9.9867e+00	 -1.3333e-02	  1.0013e+01	  1.3333e-02	  9.9732e+00	 -2.6842e-02	  1.0026e+01	  2.6488e-02	  9.6305e-03	  9.6305e-03	      0.0000	
+           1	       react	           1	         -99	           0	           1	     8.27866	    -4.94223	  0.0000e+00	  1.0000e+01	 -3.1401e-08	  1.0000e+01	  1.0888e-08	  9.9995e+00	 -4.9102e-04	  9.9995e+00	 -4.8459e-04	  0.0000e+00	  0.0000e+00	     -6.1251	
+           1	       react	           1	         -99	           0	           2	     8.16976	    -4.28517	  5.0000e-04	  9.9997e+00	 -2.6667e-04	  1.0000e+01	  2.6666e-04	  9.9991e+00	 -9.2415e-04	  1.0000e+01	  1.4524e-04	  0.0000e+00	  0.0000e+00	     -2.0139	
+           1	       react	           1	         -99	           0	           3	     7.97867	    -3.96612	  2.5000e-03	  9.9987e+00	 -1.3333e-03	  1.0001e+01	  1.3333e-03	  9.9971e+00	 -2.9318e-03	  1.0002e+01	  2.4006e-03	  0.0000e+00	  0.0000e+00	     -1.0546	
+           1	       react	           1	         -99	           0	           4	      7.8793	    -3.81158	  5.0001e-03	  9.9973e+00	 -2.6667e-03	  1.0003e+01	  2.6666e-03	  9.9944e+00	 -5.5524e-03	  1.0005e+01	  5.1122e-03	  0.0000e+00	  0.0000e+00	     -0.6412	
+           1	       react	           1	         -99	           0	           5	     7.72165	    -3.57159	  1.5001e-02	  9.9920e+00	 -8.0000e-03	  1.0008e+01	  7.9999e-03	  9.9838e+00	 -1.6165e-02	  1.0016e+01	  1.5831e-02	  0.0000e+00	  0.0000e+00	     -0.0253	
+           1	       react	           1	         -99	           0	           6	     7.70941	    -3.55585	  2.5011e-02	  9.9867e+00	 -1.3333e-02	  1.0013e+01	  1.3333e-02	  9.9732e+00	 -2.6831e-02	  1.0026e+01	  2.6499e-02	  8.9755e-03	  8.9755e-03	      0.0000	
diff --git a/phreeqc3-examples/ex6.out b/phreeqc3-examples/ex6.out
index e0190c4d..bdb6ecba 100644
--- a/phreeqc3-examples/ex6.out
+++ b/phreeqc3-examples/ex6.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -267,10 +268,10 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Gibbsite         -0.00     8.05      8.05    0.000e+00   1.785e-06   1.785e-06
+Gibbsite          0.00     8.05      8.05    0.000e+00   1.785e-06   1.785e-06
 K-feldspar       -5.86    -4.99      0.88    0.000e+00           0   0.000e+00
 K-mica           -1.86    11.11     12.97    0.000e+00           0   0.000e+00
-Kaolinite        -0.00     5.71      5.71
+Kaolinite         0.00     5.71      5.71
 	 KAlSi3O8           is reactant       1.000e+01   1.000e+01  -2.178e-06
 
 -----------------------------Solution composition------------------------------
@@ -294,7 +295,7 @@ Kaolinite        -0.00     5.71      5.71
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   3.359e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.403e-17
+                  Electrical balance (eq)  =  -3.402e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  13
                                   Total H  = 1.110124e+02
@@ -331,12 +332,12 @@ Si            6.535e-06
 
   Al(OH)3(a)       -2.75      8.05   10.80  Al(OH)3
   Chalcedony       -1.64     -5.20   -3.55  SiO2
-  Gibbsite         -0.00      8.05    8.05  Al(OH)3
+  Gibbsite          0.00      8.05    8.05  Al(OH)3
   H2(g)           -34.79    -37.89   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -5.86     -4.99    0.88  KAlSi3O8
   K-mica           -1.86     11.11   12.97  KAl3Si3O10(OH)2
-  Kaolinite        -0.00      5.71    5.71  Al2Si2O5(OH)4
+  Kaolinite         0.00      5.71    5.71  Al2Si2O5(OH)4
   O2(g)           -13.70    -16.59   -2.89  O2
   Quartz           -1.21     -5.20   -3.98  SiO2
   SiO2(a)          -2.48     -5.20   -2.71  SiO2
@@ -386,7 +387,7 @@ Gibbsite         -0.73     7.32      8.05    0.000e+00           0   0.000e+00
 K-feldspar       -2.54    -1.67      0.88    0.000e+00           0   0.000e+00
 K-mica            0.00    12.97     12.97
 	 KAlSi3O8           is reactant       1.000e+01   1.000e+01  -2.010e-05
-Kaolinite        -0.00     5.71      5.71    0.000e+00   9.760e-06   9.760e-06
+Kaolinite         0.00     5.71      5.71    0.000e+00   9.760e-06   9.760e-06
 
 -----------------------------Solution composition------------------------------
 
@@ -409,7 +410,7 @@ Kaolinite        -0.00     5.71      5.71    0.000e+00   9.760e-06   9.760e-06
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   2.184e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.047e-17
+                  Electrical balance (eq)  =  -2.771e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  15
                                   Total H  = 1.110124e+02
@@ -429,12 +430,12 @@ Al            5.799e-07
    Al(OH)2+        1.275e-12   1.268e-12   -11.895   -11.897    -0.002     (0)  
    AlOH+2          1.291e-16   1.265e-16   -15.889   -15.898    -0.009    -27.86
    Al+3            1.043e-20   9.949e-21   -19.982   -20.002    -0.020    -42.50
-H(0)          2.557e-38
+H(0)          2.558e-38
    H2              1.279e-38   1.279e-38   -37.893   -37.893     0.000     28.61
 K             2.010e-05
    K+              2.010e-05   2.000e-05    -4.697    -4.699    -0.002      8.98
-O(0)          5.099e-17
-   O2              2.550e-17   2.550e-17   -16.594   -16.594     0.000     30.40
+O(0)          5.097e-17
+   O2              2.549e-17   2.549e-17   -16.594   -16.594     0.000     30.40
 Si            4.078e-05
    H4SiO4          3.428e-05   3.428e-05    -4.465    -4.465     0.000     52.08
    H3SiO4-         6.501e-06   6.468e-06    -5.187    -5.189    -0.002     27.95
@@ -451,7 +452,7 @@ Si            4.078e-05
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -2.54     -1.67    0.88  KAlSi3O8
   K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
-  Kaolinite        -0.00      5.71    5.71  Al2Si2O5(OH)4
+  Kaolinite         0.00      5.71    5.71  Al2Si2O5(OH)4
   O2(g)           -13.70    -16.59   -2.89  O2
   Quartz           -0.48     -4.46   -3.98  SiO2
   SiO2(a)          -1.75     -4.46   -2.71  SiO2
@@ -498,9 +499,9 @@ Using pure phase assemblage 1.
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -2.00     6.05      8.05    0.000e+00           0   0.000e+00
-K-feldspar        0.00     0.88      0.88
+K-feldspar       -0.00     0.87      0.88
 	 KAlSi3O8           is reactant       1.000e+01   1.000e+01  -1.909e-04
-K-mica            0.00    12.97     12.97    0.000e+00   6.362e-05   6.362e-05
+K-mica           -0.00    12.97     12.97    0.000e+00   6.362e-05   6.362e-05
 Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
 
 -----------------------------Solution composition------------------------------
@@ -514,7 +515,7 @@ Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   9.388      Charge balance
-                                       pe  =   7.983      Adjusted to redox equilibrium
+                                       pe  =   7.984      Adjusted to redox equilibrium
       Specific Conductance (µS/cm,  25°C)  = 14
                           Density (g/cm³)  =   0.99707
                                Volume (L)  =   1.00297
@@ -524,9 +525,9 @@ Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.275e-04
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.135e-17
+                  Electrical balance (eq)  =  -3.034e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  17
+                               Iterations  =  15
                                   Total H  = 1.110123e+02
                                   Total O  = 5.550698e+01
 
@@ -544,12 +545,12 @@ Al            5.973e-08
    Al(OH)2+        3.600e-14   3.554e-14   -13.444   -13.449    -0.006     (0)  
    AlOH+2          1.954e-18   1.855e-18   -17.709   -17.732    -0.023    -27.83
    Al+3            8.576e-23   7.641e-23   -22.067   -22.117    -0.050    -42.44
-H(0)          2.558e-38
-   H2              1.279e-38   1.279e-38   -37.893   -37.893     0.000     28.61
+H(0)          2.557e-38
+   H2              1.278e-38   1.278e-38   -37.893   -37.893     0.000     28.61
 K             1.273e-04
    K+              1.273e-04   1.256e-04    -3.895    -3.901    -0.006      8.99
-O(0)          5.095e-17
-   O2              2.547e-17   2.548e-17   -16.594   -16.594     0.000     30.40
+O(0)          5.102e-17
+   O2              2.551e-17   2.551e-17   -16.593   -16.593     0.000     30.40
 Si            3.819e-04
    H4SiO4          2.797e-04   2.797e-04    -3.553    -3.553     0.000     52.08
    H3SiO4-         1.021e-04   1.008e-04    -3.991    -3.996    -0.006     27.95
@@ -564,8 +565,8 @@ Si            3.819e-04
   Gibbsite         -2.00      6.05    8.05  Al(OH)3
   H2(g)           -34.79    -37.89   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  K-feldspar        0.00      0.88    0.88  KAlSi3O8
-  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-feldspar       -0.00      0.87    0.88  KAlSi3O8
+  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.72      4.99    5.71  Al2Si2O5(OH)4
   O2(g)           -13.70    -16.59   -2.89  O2
   Quartz            0.43     -3.55   -3.98  SiO2
@@ -659,8 +660,8 @@ H(0)          2.557e-38
    H2              1.279e-38   1.279e-38   -37.893   -37.893     0.000     28.61
 K             3.025e-06
    K+              3.025e-06   3.018e-06    -5.519    -5.520    -0.001      8.98
-O(0)          5.100e-17
-   O2              2.550e-17   2.550e-17   -16.593   -16.593     0.000     30.40
+O(0)          5.099e-17
+   O2              2.550e-17   2.550e-17   -16.594   -16.594     0.000     30.40
 Si            6.594e-06
    H4SiO4          6.383e-06   6.383e-06    -5.195    -5.195     0.000     52.08
    H3SiO4-         2.114e-07   2.110e-07    -6.675    -6.676    -0.001     27.95
@@ -1062,7 +1063,7 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Gibbsite          0.00     8.05      8.05    0.000e+00   1.163e-07   1.163e-07
+Gibbsite         -0.00     8.05      8.05    0.000e+00   1.163e-07   1.163e-07
 K-feldspar      -11.34   -10.47      0.88    0.000e+00           0   0.000e+00
 K-mica           -7.34     5.63     12.97    0.000e+00           0   0.000e+00
 Kaolinite        -2.25     3.46      5.71    0.000e+00           0   0.000e+00
@@ -1125,7 +1126,7 @@ Si            4.800e-07
 
   Al(OH)3(a)       -2.75      8.05   10.80  Al(OH)3
   Chalcedony       -2.77     -6.32   -3.55  SiO2
-  Gibbsite          0.00      8.05    8.05  Al(OH)3
+  Gibbsite         -0.00      8.05    8.05  Al(OH)3
   H2(g)           -12.06    -15.16   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar      -11.34    -10.47    0.88  KAlSi3O8
@@ -1268,7 +1269,7 @@ Reaction 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Gibbsite         -0.00     8.05      8.05    0.000e+00   5.140e-07   5.140e-07
+Gibbsite          0.00     8.05      8.05    0.000e+00   5.140e-07   5.140e-07
 K-feldspar       -8.47    -7.59      0.88    0.000e+00           0   0.000e+00
 K-mica           -4.47     8.50     12.97    0.000e+00           0   0.000e+00
 Kaolinite        -1.05     4.66      5.71    0.000e+00           0   0.000e+00
@@ -1294,7 +1295,7 @@ Kaolinite        -1.05     4.66      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.018e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.816e-15
+                  Electrical balance (eq)  =  -3.477e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  10
                                   Total H  = 1.110124e+02
@@ -1331,7 +1332,7 @@ Si            1.920e-06
 
   Al(OH)3(a)       -2.75      8.05   10.80  Al(OH)3
   Chalcedony       -2.17     -5.72   -3.55  SiO2
-  Gibbsite         -0.00      8.05    8.05  Al(OH)3
+  Gibbsite          0.00      8.05    8.05  Al(OH)3
   H2(g)           -11.47    -14.57   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -8.47     -7.59    0.88  KAlSi3O8
@@ -1397,7 +1398,7 @@ Kaolinite        -0.67     5.04      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.571e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.305e-17
+                  Electrical balance (eq)  =  -3.344e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  11
                                   Total H  = 1.110124e+02
@@ -1603,8 +1604,8 @@ Kaolinite        -0.00     5.71      5.71    0.000e+00   1.714e-06   1.714e-06
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   5.714e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -6.910e-17
- Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
+                  Electrical balance (eq)  =   2.000e-16
+ Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  12
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550623e+01
@@ -1706,9 +1707,9 @@ Kaolinite         0.00     5.71      5.71    0.000e+00   3.697e-06   3.697e-06
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   9.817e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -7.217e-16
+                  Electrical balance (eq)  =  -3.042e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  12
+                               Iterations  =  13
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550625e+01
 
@@ -1726,12 +1727,12 @@ Al            6.057e-07
    Al(OH)2+        6.137e-12   6.117e-12   -11.212   -11.213    -0.001     (0)  
    AlOH+2          1.327e-15   1.310e-15   -14.877   -14.883    -0.006    -27.86
    Al+3            2.280e-19   2.213e-19   -18.642   -18.655    -0.013    -42.51
-H(0)          4.275e-39
-   H2              2.137e-39   2.137e-39   -38.670   -38.670     0.000     28.61
+H(0)          4.273e-39
+   H2              2.136e-39   2.136e-39   -38.670   -38.670     0.000     28.61
 K             8.000e-06
    K+              8.000e-06   7.974e-06    -5.097    -5.098    -0.001      8.98
-O(0)          1.825e-15
-   O2              9.126e-16   9.126e-16   -15.040   -15.040     0.000     30.40
+O(0)          1.827e-15
+   O2              9.133e-16   9.133e-16   -15.039   -15.039     0.000     30.40
 Si            1.661e-05
    H4SiO4          1.526e-05   1.526e-05    -4.816    -4.816     0.000     52.08
    H3SiO4-         1.345e-06   1.341e-06    -5.871    -5.873    -0.001     27.95
@@ -1786,7 +1787,7 @@ Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 Gibbsite         -0.64     7.41      8.05    0.000e+00           0   0.000e+00
 K-feldspar       -2.89    -2.01      0.88    0.000e+00           0   0.000e+00
 K-mica           -0.17    12.80     12.97    0.000e+00           0   0.000e+00
-Kaolinite         0.00     5.71      5.71    0.000e+00   7.703e-06   7.703e-06
+Kaolinite        -0.00     5.71      5.71    0.000e+00   7.703e-06   7.703e-06
 
 -----------------------------Solution composition------------------------------
 
@@ -1809,9 +1810,9 @@ Kaolinite         0.00     5.71      5.71    0.000e+00   7.703e-06   7.703e-06
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.778e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -1.356e-16
+                  Electrical balance (eq)  =  -3.041e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  13
+                               Iterations  =  14
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550628e+01
 
@@ -1851,7 +1852,7 @@ Si            3.259e-05
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -2.89     -2.01    0.88  KAlSi3O8
   K-mica           -0.17     12.80   12.97  KAl3Si3O10(OH)2
-  Kaolinite         0.00      5.71    5.71  Al2Si2O5(OH)4
+  Kaolinite        -0.00      5.71    5.71  Al2Si2O5(OH)4
   O2(g)           -60.56    -63.45   -2.89  O2
   Quartz           -0.57     -4.55   -3.98  SiO2
   SiO2(a)          -1.84     -4.55   -2.71  SiO2
@@ -1888,8 +1889,8 @@ Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -0.93     7.12      8.05    0.000e+00           0   0.000e+00
 K-feldspar       -2.14    -1.26      0.88    0.000e+00           0   0.000e+00
-K-mica           -0.00    12.97     12.97    0.000e+00   1.014e-05   1.014e-05
-Kaolinite        -0.00     5.71      5.71    0.000e+00   6.295e-07   6.295e-07
+K-mica            0.00    12.97     12.97    0.000e+00   1.014e-05   1.014e-05
+Kaolinite         0.00     5.71      5.71    0.000e+00   6.295e-07   6.295e-07
 
 -----------------------------Solution composition------------------------------
 
@@ -1912,9 +1913,9 @@ Kaolinite        -0.00     5.71      5.71    0.000e+00   6.295e-07   6.295e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   2.287e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   4.982e-14
+                  Electrical balance (eq)  =   4.087e-14
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  14
+                               Iterations  =  13
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550635e+01
 
@@ -1933,10 +1934,10 @@ Al            3.338e-07
    AlOH+2          9.565e-17   9.359e-17   -16.019   -16.029    -0.009    -27.86
    Al+3            8.407e-21   8.007e-21   -20.075   -20.097    -0.021    -42.50
 H(0)          1.177e-38
-   H2              5.884e-39   5.884e-39   -38.230   -38.230     0.000     28.61
+   H2              5.883e-39   5.884e-39   -38.230   -38.230     0.000     28.61
 K             2.186e-05
    K+              2.186e-05   2.175e-05    -4.660    -4.663    -0.002      8.98
-O(0)          2.408e-16
+O(0)          2.409e-16
    O2              1.204e-16   1.204e-16   -15.919   -15.919     0.000     30.40
 Si            6.433e-05
    H4SiO4          5.478e-05   5.478e-05    -4.261    -4.261     0.000     52.08
@@ -1953,8 +1954,8 @@ Si            6.433e-05
   H2(g)           -35.13    -38.23   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -2.14     -1.26    0.88  KAlSi3O8
-  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
-  Kaolinite        -0.00      5.71    5.71  Al2Si2O5(OH)4
+  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  Kaolinite         0.00      5.71    5.71  Al2Si2O5(OH)4
   O2(g)           -13.03    -15.92   -2.89  O2
   Quartz           -0.28     -4.26   -3.98  SiO2
   SiO2(a)          -1.55     -4.26   -2.71  SiO2
@@ -1991,7 +1992,7 @@ Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -1.35     6.70      8.05    0.000e+00           0   0.000e+00
 K-feldspar       -1.30    -0.42      0.88    0.000e+00           0   0.000e+00
-K-mica            0.00    12.97     12.97    0.000e+00   2.127e-05   2.127e-05
+K-mica           -0.00    12.97     12.97    0.000e+00   2.127e-05   2.127e-05
 Kaolinite        -0.29     5.41      5.71    0.000e+00           0   0.000e+00
 
 -----------------------------Solution composition------------------------------
@@ -2015,9 +2016,9 @@ Kaolinite        -0.29     5.41      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   4.327e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -3.049e-17
+                  Electrical balance (eq)  =  -1.175e-13
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  15
+                               Iterations  =  13
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550647e+01
 
@@ -2035,12 +2036,12 @@ Al            1.804e-07
    Al(OH)2+        2.326e-13   2.308e-13   -12.633   -12.637    -0.003     (0)  
    AlOH+2          1.816e-17   1.762e-17   -16.741   -16.754    -0.013    -27.85
    Al+3            1.136e-21   1.062e-21   -20.945   -20.974    -0.029    -42.48
-H(0)          8.193e-39
+H(0)          8.192e-39
    H2              4.096e-39   4.096e-39   -38.388   -38.388     0.000     28.61
 K             4.273e-05
    K+              4.273e-05   4.240e-05    -4.369    -4.373    -0.003      8.99
-O(0)          4.968e-16
-   O2              2.484e-16   2.484e-16   -15.605   -15.605     0.000     30.40
+O(0)          4.970e-16
+   O2              2.485e-16   2.485e-16   -15.605   -15.605     0.000     30.40
 Si            1.282e-04
    H4SiO4          1.027e-04   1.027e-04    -3.989    -3.989     0.000     52.08
    H3SiO4-         2.550e-05   2.530e-05    -4.594    -4.597    -0.003     27.95
@@ -2056,7 +2057,7 @@ Si            1.282e-04
   H2(g)           -35.29    -38.39   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -1.30     -0.42    0.88  KAlSi3O8
-  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.29      5.41    5.71  Al2Si2O5(OH)4
   O2(g)           -12.71    -15.60   -2.89  O2
   Quartz           -0.01     -3.99   -3.98  SiO2
@@ -2094,7 +2095,7 @@ Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -1.62     6.43      8.05    0.000e+00           0   0.000e+00
 K-feldspar       -0.76     0.11      0.88    0.000e+00           0   0.000e+00
-K-mica            0.00    12.97     12.97    0.000e+00   3.329e-05   3.329e-05
+K-mica           -0.00    12.97     12.97    0.000e+00   3.329e-05   3.329e-05
 Kaolinite        -0.48     5.23      5.71    0.000e+00           0   0.000e+00
 
 -----------------------------Solution composition------------------------------
@@ -2118,9 +2119,9 @@ Kaolinite        -0.48     5.23      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   6.706e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -4.146e-13
+                  Electrical balance (eq)  =  -2.874e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  15
+                               Iterations  =  16
                                   Total H  = 1.110124e+02
                                   Total O  = 5.550662e+01
 
@@ -2138,7 +2139,7 @@ Al            1.175e-07
    Al(OH)2+        1.049e-13   1.039e-13   -12.979   -12.984    -0.004     (0)  
    AlOH+2          6.853e-18   6.599e-18   -17.164   -17.181    -0.016    -27.84
    Al+3            3.599e-22   3.308e-22   -21.444   -21.480    -0.037    -42.47
-H(0)          3.760e-15
+H(0)          3.759e-15
    H2              1.880e-15   1.880e-15   -14.726   -14.726     0.000     28.61
 K             6.671e-05
    K+              6.671e-05   6.608e-05    -4.176    -4.180    -0.004      8.99
@@ -2159,7 +2160,7 @@ Si            2.001e-04
   H2(g)           -11.62    -14.73   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -0.76      0.11    0.88  KAlSi3O8
-  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.48      5.23    5.71  Al2Si2O5(OH)4
   O2(g)           -60.04    -62.93   -2.89  O2
   Quartz            0.17     -3.81   -3.98  SiO2
@@ -2196,8 +2197,8 @@ Reaction 1.
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -2.00     6.05      8.05    0.000e+00           0   0.000e+00
-K-feldspar        0.00     0.88      0.88    0.000e+00   9.093e-06   9.093e-06
-K-mica            0.00    12.97     12.97    0.000e+00   6.362e-05   6.362e-05
+K-feldspar       -0.00     0.87      0.88    0.000e+00   9.093e-06   9.093e-06
+K-mica           -0.00    12.97     12.97    0.000e+00   6.362e-05   6.362e-05
 Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
 
 -----------------------------Solution composition------------------------------
@@ -2221,9 +2222,9 @@ Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.275e-04
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   1.541e-16
+                  Electrical balance (eq)  =   1.578e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
-                               Iterations  =  15
+                               Iterations  =  17
                                   Total H  = 1.110123e+02
                                   Total O  = 5.550698e+01
 
@@ -2241,12 +2242,12 @@ Al            5.973e-08
    Al(OH)2+        3.600e-14   3.554e-14   -13.444   -13.449    -0.006     (0)  
    AlOH+2          1.954e-18   1.855e-18   -17.709   -17.732    -0.023    -27.83
    Al+3            8.576e-23   7.641e-23   -22.067   -22.117    -0.050    -42.44
-H(0)          3.149e-39
+H(0)          3.150e-39
    H2              1.575e-39   1.575e-39   -38.803   -38.803     0.000     28.61
 K             1.273e-04
    K+              1.273e-04   1.256e-04    -3.895    -3.901    -0.006      8.99
-O(0)          3.362e-15
-   O2              1.681e-15   1.681e-15   -14.774   -14.774     0.000     30.40
+O(0)          3.361e-15
+   O2              1.680e-15   1.680e-15   -14.775   -14.775     0.000     30.40
 Si            3.819e-04
    H4SiO4          2.797e-04   2.797e-04    -3.553    -3.553     0.000     52.08
    H3SiO4-         1.021e-04   1.008e-04    -3.991    -3.996    -0.006     27.95
@@ -2261,8 +2262,8 @@ Si            3.819e-04
   Gibbsite         -2.00      6.05    8.05  Al(OH)3
   H2(g)           -35.70    -38.80   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  K-feldspar        0.00      0.88    0.88  KAlSi3O8
-  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-feldspar       -0.00      0.87    0.88  KAlSi3O8
+  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.72      4.99    5.71  Al2Si2O5(OH)4
   O2(g)           -11.88    -14.77   -2.89  O2
   Quartz            0.43     -3.55   -3.98  SiO2
@@ -2678,7 +2679,7 @@ A: Gibbsite                        1100   1.4048e-01   3.5642e-01  -6.3763e+00
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-Gibbsite         -0.00     8.05      8.05    0.000e+00   9.946e-08   9.946e-08
+Gibbsite          0.00     8.05      8.05    0.000e+00   9.946e-08   9.946e-08
 K-mica           -7.60     5.37     12.97    0.000e+00           0   0.000e+00
 Kaolinite        -2.36     3.35      5.71    0.000e+00           0   0.000e+00
 
@@ -2740,7 +2741,7 @@ Si            4.214e-07
 
   Al(OH)3(a)       -2.75      8.05   10.80  Al(OH)3
   Chalcedony       -2.82     -6.38   -3.55  SiO2
-  Gibbsite         -0.00      8.05    8.05  Al(OH)3
+  Gibbsite          0.00      8.05    8.05  Al(OH)3
   H2(g)           -35.96    -39.06   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar      -11.60    -10.72    0.88  KAlSi3O8
@@ -2898,7 +2899,7 @@ Kaolinite         0.00     5.71      5.71    0.000e+00   6.730e-06   6.730e-06
 
                                        pH  =   8.987      Charge balance
                                        pe  =  -3.532      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 3
+      Specific Conductance (µS/cm,  25°C)  = 2
                           Density (g/cm³)  =   0.99705
                                Volume (L)  =   1.00297
                         Viscosity (mPa s)  =   0.89003
@@ -2988,7 +2989,7 @@ E: Kaolinite -> K-mica       2.6017e+06   3.2848e+01   4.4087e+00  -4.2499e+00
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -1.76     6.29      8.05    0.000e+00           0   0.000e+00
-K-mica           -0.00    12.97     12.97    0.000e+00   4.218e-05   4.218e-05
+K-mica            0.00    12.97     12.97    0.000e+00   4.218e-05   4.218e-05
 Kaolinite        -0.57     5.14      5.71    6.730e-06           0  -6.730e-06
 
 -----------------------------Solution composition------------------------------
@@ -3002,7 +3003,7 @@ Kaolinite        -0.57     5.14      5.71    6.730e-06           0  -6.730e-06
 ----------------------------Description of solution----------------------------
 
                                        pH  =   9.338      Charge balance
-                                       pe  =   9.197      Adjusted to redox equilibrium
+                                       pe  =  -4.301      Adjusted to redox equilibrium
       Specific Conductance (µS/cm,  25°C)  = 10
                           Density (g/cm³)  =   0.99706
                                Volume (L)  =   1.00297
@@ -3014,7 +3015,7 @@ Kaolinite        -0.57     5.14      5.71    6.730e-06           0  -6.730e-06
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.219e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  = 3370
+                               Iterations  = 3497
                                   Total H  = 1.110123e+02
                                   Total O  = 5.550672e+01
 
@@ -3032,12 +3033,12 @@ Al            9.244e-08
    Al(OH)2+        7.020e-14   6.946e-14   -13.154   -13.158    -0.005     (0)  
    AlOH+2          4.247e-18   4.070e-18   -17.372   -17.390    -0.018    -27.84
    Al+3            2.069e-22   1.882e-22   -21.684   -21.725    -0.041    -42.46
-H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -40.221   -40.221     0.000     28.61
+H(0)          1.194e-13
+   H2              5.971e-14   5.971e-14   -13.224   -13.224     0.000     28.61
 K             8.445e-05
    K+              8.445e-05   8.355e-05    -4.073    -4.078    -0.005      8.99
-O(0)          2.302e-12
-   O2              1.151e-12   1.151e-12   -11.939   -11.939     0.000     30.40
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -65.932   -65.932     0.000     30.40
 Si            2.534e-04
    H4SiO4          1.913e-04   1.913e-04    -3.718    -3.718     0.000     52.08
    H3SiO4-         6.207e-05   6.141e-05    -4.207    -4.212    -0.005     27.95
@@ -3050,12 +3051,12 @@ Si            2.534e-04
   Al(OH)3(a)       -4.51      6.29   10.80  Al(OH)3
   Chalcedony       -0.17     -3.72   -3.55  SiO2
   Gibbsite         -1.76      6.29    8.05  Al(OH)3
-  H2(g)           -37.12    -40.22   -3.10  H2
+  H2(g)           -10.12    -13.22   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -0.48      0.39    0.88  KAlSi3O8
-  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.57      5.14    5.71  Al2Si2O5(OH)4
-  O2(g)            -9.05    -11.94   -2.89  O2
+  O2(g)           -63.04    -65.93   -2.89  O2
   Quartz            0.26     -3.72   -3.98  SiO2
   SiO2(a)          -1.01     -3.72   -2.71  SiO2
 
@@ -3094,7 +3095,7 @@ F: K-mica    -> K-feldspar   4.7638e+07   1.9074e+02   5.4868e+00  -3.5536e+00
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
 Gibbsite         -2.00     6.05      8.05    0.000e+00           0   0.000e+00
-K-mica            0.00    12.97     12.97    4.218e-05   6.362e-05   2.144e-05
+K-mica           -0.00    12.97     12.97    4.218e-05   6.362e-05   2.144e-05
 Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
 
 -----------------------------Solution composition------------------------------
@@ -3108,7 +3109,7 @@ Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
 ----------------------------Description of solution----------------------------
 
                                        pH  =   9.388      Charge balance
-                                       pe  =   9.153      Adjusted to redox equilibrium
+                                       pe  =  -4.487      Adjusted to redox equilibrium
       Specific Conductance (µS/cm,  25°C)  = 14
                           Density (g/cm³)  =   0.99707
                                Volume (L)  =   1.00297
@@ -3118,7 +3119,7 @@ Kaolinite        -0.72     4.99      5.71    0.000e+00           0   0.000e+00
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.275e-04
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =  -1.220e-09
+                  Electrical balance (eq)  =  -1.219e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  = 1790
                                   Total H  = 1.110123e+02
@@ -3138,12 +3139,12 @@ Al            5.973e-08
    Al(OH)2+        3.600e-14   3.553e-14   -13.444   -13.449    -0.006     (0)  
    AlOH+2          1.954e-18   1.855e-18   -17.709   -17.732    -0.023    -27.83
    Al+3            8.576e-23   7.641e-23   -22.067   -22.117    -0.050    -42.44
-H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -40.233   -40.233     0.000     28.61
+H(0)          2.228e-13
+   H2              1.114e-13   1.114e-13   -12.953   -12.953     0.000     28.61
 K             1.273e-04
    K+              1.273e-04   1.256e-04    -3.895    -3.901    -0.006      8.99
-O(0)          2.435e-12
-   O2              1.217e-12   1.218e-12   -11.915   -11.915     0.000     30.40
+O(0)          0.000e+00
+   O2              0.000e+00   0.000e+00   -66.474   -66.474     0.000     30.40
 Si            3.819e-04
    H4SiO4          2.797e-04   2.797e-04    -3.553    -3.553     0.000     52.08
    H3SiO4-         1.021e-04   1.008e-04    -3.991    -3.996    -0.006     27.95
@@ -3156,12 +3157,12 @@ Si            3.819e-04
   Al(OH)3(a)       -4.75      6.05   10.80  Al(OH)3
   Chalcedony       -0.00     -3.55   -3.55  SiO2
   Gibbsite         -2.00      6.05    8.05  Al(OH)3
-  H2(g)           -37.13    -40.23   -3.10  H2
+  H2(g)            -9.85    -12.95   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   K-feldspar       -0.00      0.87    0.88  KAlSi3O8
-  K-mica            0.00     12.97   12.97  KAl3Si3O10(OH)2
+  K-mica           -0.00     12.97   12.97  KAl3Si3O10(OH)2
   Kaolinite        -0.72      4.99    5.71  Al2Si2O5(OH)4
-  O2(g)            -9.02    -11.91   -2.89  O2
+  O2(g)           -63.58    -66.47   -2.89  O2
   Quartz            0.43     -3.55   -3.98  SiO2
   SiO2(a)          -0.84     -3.55   -2.71  SiO2
 
@@ -3224,7 +3225,7 @@ Initial solution 1.
 
                                        pH  =  11.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 289
+      Specific Conductance (µS/cm,  25°C)  = 288
                           Density (g/cm³)  =   0.99712
                                Volume (L)  =   1.00297
                         Viscosity (mPa s)  =   0.89020
@@ -3298,10 +3299,10 @@ Initial solution 2.
 
                                        pH  =   7.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 189
+      Specific Conductance (µS/cm,  25°C)  = 190
                           Density (g/cm³)  =   0.99712
                                Volume (L)  =   1.00299
-                        Viscosity (mPa s)  =   0.89010
+                        Viscosity (mPa s)  =   0.89011
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.333e-03
                        Mass of water (kg)  =   1.000e+00
@@ -3372,10 +3373,10 @@ Initial solution 3.
 
                                        pH  =   7.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 189
+      Specific Conductance (µS/cm,  25°C)  = 190
                           Density (g/cm³)  =   0.99715
                                Volume (L)  =   1.00302
-                        Viscosity (mPa s)  =   0.89005
+                        Viscosity (mPa s)  =   0.89007
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.333e-03
                        Mass of water (kg)  =   1.000e+00
@@ -3555,7 +3556,7 @@ Initial solution 1.
 
                                        pH  =  11.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 280
+      Specific Conductance (µS/cm,  25°C)  = 279
                           Density (g/cm³)  =   0.99714
                                Volume (L)  =   1.00299
                         Viscosity (mPa s)  =   0.89016
@@ -3629,10 +3630,10 @@ Initial solution 2.
 
                                        pH  =   7.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 189
+      Specific Conductance (µS/cm,  25°C)  = 190
                           Density (g/cm³)  =   0.99715
                                Volume (L)  =   1.00302
-                        Viscosity (mPa s)  =   0.89005
+                        Viscosity (mPa s)  =   0.89007
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.333e-03
                        Mass of water (kg)  =   1.000e+00
@@ -3703,10 +3704,10 @@ Initial solution 3.
 
                                        pH  =   7.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 189
+      Specific Conductance (µS/cm,  25°C)  = 190
                           Density (g/cm³)  =   0.99712
                                Volume (L)  =   1.00299
-                        Viscosity (mPa s)  =   0.89010
+                        Viscosity (mPa s)  =   0.89011
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.333e-03
                        Mass of water (kg)  =   1.000e+00
diff --git a/phreeqc3-examples/ex6A-B.sel b/phreeqc3-examples/ex6A-B.sel
index dbbd6029..81e9f18a 100644
--- a/phreeqc3-examples/ex6A-B.sel
+++ b/phreeqc3-examples/ex6A-B.sel
@@ -1,22 +1,22 @@
          sim	       state	        soln	      dist_x	        time	        step	          pH	          pe	       la_K+	       la_H+	   la_H4SiO4	    Gibbsite	  d_Gibbsite	   Kaolinite	 d_Kaolinite	      K-mica	    d_K-mica	  K-feldspar	d_K-feldspar	 si_Gibbsite	si_Kaolinite	   si_K-mica	si_K-feldspar	
            1	      i_soln	           1	         -99	         -99	         -99	     6.99738	           4	 -1.0000e+03	 -6.9974e+00	 -1.0000e+03	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	   -999.9990	   -999.9990	   -999.9990	   -999.9990	
            2	       react	           1	         -99	           0	           1	     7.00369	     10.3679	 -7.5756e+00	 -7.0037e+00	 -7.0990e+00	  1.0000e+01	 -2.6579e-08	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.0000	     -3.8080	    -10.6919	    -14.6949	
-           3	       react	           1	         -99	           0	           1	     8.20884	     9.16278	 -5.6626e+00	 -8.2088e+00	 -5.1950e+00	  1.7849e-06	  1.7849e-06	  1.0000e+01	 -2.1784e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.0000	     -0.0000	     -1.8618	     -5.8648	
-           4	       react	           1	         -99	           0	           1	     9.10706	     8.26456	 -4.6991e+00	 -9.1071e+00	 -4.4650e+00	  0.0000e+00	  0.0000e+00	  9.7604e-06	  9.7604e-06	  1.0000e+01	 -2.0101e-05	  0.0000e+00	  0.0000e+00	     -0.7300	     -0.0000	      0.0000	     -2.5429	
-           5	       react	           1	         -99	           0	           1	     9.38811	     7.98342	 -3.9009e+00	 -9.3881e+00	 -3.5533e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  6.3616e-05	  6.3616e-05	  9.9998e+00	 -1.9091e-04	     -2.0015	     -0.7195	      0.0000	      0.0000	
-           6	       react	           1	         -99	           0	           1	     8.35063	       9.021	 -5.5202e+00	 -8.3506e+00	 -5.1950e+00	  1.0000e+01	 -3.0245e-06	  1.0000e+00	  1.2397e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -0.0000	     -1.5776	     -5.5806	
+           3	       react	           1	         -99	           0	           1	     8.20884	     9.16277	 -5.6626e+00	 -8.2088e+00	 -5.1950e+00	  1.7849e-06	  1.7849e-06	  1.0000e+01	 -2.1784e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	      0.0000	     -1.8618	     -5.8648	
+           4	       react	           1	         -99	           0	           1	     9.10706	     8.26452	 -4.6991e+00	 -9.1071e+00	 -4.4650e+00	  0.0000e+00	  0.0000e+00	  9.7604e-06	  9.7604e-06	  1.0000e+01	 -2.0101e-05	  0.0000e+00	  0.0000e+00	     -0.7300	      0.0000	      0.0000	     -2.5429	
+           5	       react	           1	         -99	           0	           1	     9.38811	     7.98357	 -3.9009e+00	 -9.3881e+00	 -3.5533e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  6.3616e-05	  6.3616e-05	  9.9998e+00	 -1.9091e-04	     -2.0015	     -0.7195	     -0.0000	     -0.0000	
+           6	       react	           1	         -99	           0	           1	     8.35063	     9.02099	 -5.5202e+00	 -8.3506e+00	 -5.1950e+00	  1.0000e+01	 -3.0245e-06	  1.0000e+00	  1.2397e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -0.0000	     -1.5776	     -5.5806	
            7	       react	           1	         -99	           0	           1	     9.06827	    -3.25856	 -4.6603e+00	 -9.0683e+00	 -4.2503e+00	  0.0000e+00	  0.0000e+00	  1.0000e+01	 -3.2815e-05	  1.0000e+00	  1.0830e-05	  0.0000e+00	  0.0000e+00	     -0.9448	      0.0000	      0.0000	     -2.1135	
            8	       react	           1	         -99	           0	           1	     7.02917	    -1.25493	 -7.3981e+00	 -7.0292e+00	 -6.9215e+00	  1.1996e-08	  1.1996e-08	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -3.4530	     -9.9565	    -13.9595	
            8	       react	           1	         -99	           0	           2	     7.10321	     11.4626	 -7.0971e+00	 -7.1032e+00	 -6.6206e+00	  4.7312e-08	  4.7312e-08	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -2.8512	     -8.6787	    -12.6817	
-           8	       react	           1	         -99	           0	           3	      7.2381	    -1.23219	 -6.7961e+00	 -7.2381e+00	 -6.3199e+00	  1.1631e-07	  1.1631e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -2.2497	     -7.3406	    -11.3436	
+           8	       react	           1	         -99	           0	           3	      7.2381	    -1.23219	 -6.7961e+00	 -7.2381e+00	 -6.3199e+00	  1.1631e-07	  1.1631e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.0000	     -2.2497	     -7.3406	    -11.3436	
            8	       react	           1	         -99	           0	           4	     7.44792	    -1.59012	 -6.4952e+00	 -7.4479e+00	 -6.0195e+00	  2.5047e-07	  2.5047e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -1.6490	     -5.9288	     -9.9318	
-           8	       react	           1	         -99	           0	           5	     7.71092	    -2.00241	 -6.1942e+00	 -7.7109e+00	 -5.7200e+00	  5.1404e-07	  5.1404e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.0000	     -1.0500	     -4.4663	     -8.4693	
+           8	       react	           1	         -99	           0	           5	     7.71092	    -2.00241	 -6.1942e+00	 -7.7109e+00	 -5.7200e+00	  5.1404e-07	  5.1404e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -1.0500	     -4.4663	     -8.4693	
            8	       react	           1	         -99	           0	           6	     7.89183	     9.81356	 -6.0005e+00	 -7.8918e+00	 -5.5278e+00	  8.0972e-07	  8.0972e-07	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -0.6657	     -3.5152	     -7.5182	
            8	       react	           1	         -99	           0	           7	     8.17443	     9.60703	 -5.6997e+00	 -8.1744e+00	 -5.2313e+00	  1.6364e-06	  1.6364e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	      0.0000	     -0.0727	     -2.0422	     -6.0452	
            8	       react	           1	         -99	           0	           8	     8.48037	     -2.7668	 -5.3990e+00	 -8.4804e+00	 -5.0859e+00	  0.0000e+00	  0.0000e+00	  1.7143e-06	  1.7143e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.1091	     -0.0000	     -1.3266	     -5.1114	
-           8	       react	           1	         -99	           0	           9	     8.77515	     8.98491	 -5.0983e+00	 -8.7752e+00	 -4.8164e+00	  0.0000e+00	  0.0000e+00	  3.6971e-06	  3.6971e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.3786	      0.0000	     -0.7312	     -3.9771	
-           8	       react	           1	         -99	           0	          10	     9.03134	    -3.37462	 -4.7979e+00	 -9.0313e+00	 -4.5510e+00	  0.0000e+00	  0.0000e+00	  7.7032e-06	  7.7032e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.6440	      0.0000	     -0.1746	     -2.8896	
-           8	       react	           1	         -99	           0	          11	     9.07064	     8.46954	 -4.6626e+00	 -9.0706e+00	 -4.2614e+00	  0.0000e+00	  0.0000e+00	  6.2948e-07	  6.2948e-07	  1.0136e-05	  1.0136e-05	  0.0000e+00	  0.0000e+00	     -0.9336	     -0.0000	     -0.0000	     -2.1358	
-           8	       react	           1	         -99	           0	          12	     9.22303	     8.39576	 -4.3726e+00	 -9.2230e+00	 -3.9885e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  2.1273e-05	  2.1273e-05	  0.0000e+00	  0.0000e+00	     -1.3540	     -0.2950	      0.0000	     -1.2950	
-           8	       react	           1	         -99	           0	          13	     9.30283	    -3.51489	 -4.1800e+00	 -9.3028e+00	 -3.8123e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  3.3294e-05	  3.3294e-05	  0.0000e+00	  0.0000e+00	     -1.6210	     -0.4766	      0.0000	     -0.7610	
-           8	       react	           1	         -99	           0	          14	     9.38811	     8.43829	 -3.9009e+00	 -9.3881e+00	 -3.5533e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  6.3616e-05	  6.3616e-05	  9.0932e-06	  9.0932e-06	     -2.0015	     -0.7195	      0.0000	      0.0000	
+           8	       react	           1	         -99	           0	           9	     8.77515	       8.985	 -5.0983e+00	 -8.7752e+00	 -4.8164e+00	  0.0000e+00	  0.0000e+00	  3.6971e-06	  3.6971e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.3786	      0.0000	     -0.7312	     -3.9771	
+           8	       react	           1	         -99	           0	          10	     9.03134	    -3.37462	 -4.7979e+00	 -9.0313e+00	 -4.5510e+00	  0.0000e+00	  0.0000e+00	  7.7032e-06	  7.7032e-06	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	     -0.6440	     -0.0000	     -0.1746	     -2.8896	
+           8	       react	           1	         -99	           0	          11	     9.07064	     8.46955	 -4.6626e+00	 -9.0706e+00	 -4.2614e+00	  0.0000e+00	  0.0000e+00	  6.2948e-07	  6.2948e-07	  1.0136e-05	  1.0136e-05	  0.0000e+00	  0.0000e+00	     -0.9336	      0.0000	      0.0000	     -2.1358	
+           8	       react	           1	         -99	           0	          12	     9.22303	      8.3958	 -4.3726e+00	 -9.2230e+00	 -3.9885e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  2.1273e-05	  2.1273e-05	  0.0000e+00	  0.0000e+00	     -1.3540	     -0.2950	     -0.0000	     -1.2950	
+           8	       react	           1	         -99	           0	          13	     9.30283	    -3.51486	 -4.1800e+00	 -9.3028e+00	 -3.8123e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  3.3294e-05	  3.3294e-05	  0.0000e+00	  0.0000e+00	     -1.6210	     -0.4766	     -0.0000	     -0.7610	
+           8	       react	           1	         -99	           0	          14	     9.38811	     8.43824	 -3.9009e+00	 -9.3881e+00	 -3.5533e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  6.3616e-05	  6.3616e-05	  9.0932e-06	  9.0932e-06	     -2.0015	     -0.7195	     -0.0000	     -0.0000	
diff --git a/phreeqc3-examples/ex7.out b/phreeqc3-examples/ex7.out
index 95b95625..0570eece 100644
--- a/phreeqc3-examples/ex7.out
+++ b/phreeqc3-examples/ex7.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -127,60 +128,60 @@ Using pure phase assemblage 1.
                                                       Moles in assemblage
 Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta
 
-CO2(g)           -1.50    -2.97     -1.47    1.000e+01   9.996e+00  -3.568e-03
-Calcite           0.00    -8.48     -8.48    1.000e+01   9.997e+00  -2.502e-03
+CO2(g)           -1.50    -2.97     -1.47    1.000e+01   9.996e+00  -3.519e-03
+Calcite           0.00    -8.48     -8.48    1.000e+01   9.998e+00  -2.453e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.070e-03   6.070e-03
-	Ca                2.502e-03   2.502e-03
+	C                 5.972e-03   5.972e-03
+	Ca                2.453e-03   2.453e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.971      Charge balance
-                                       pe  =  -1.249      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 453
-                          Density (g/cm³)  =   0.99738
+                                       pH  =   6.969      Charge balance
+                                       pe  =  -1.247      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 457
+                          Density (g/cm³)  =   0.99737
                                Volume (L)  =   1.00304
-                        Viscosity (mPa s)  =   0.89254
+                        Viscosity (mPa s)  =   0.89302
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.282e-03
+                 Ionic strength (mol/kgw)  =   7.281e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.004e-03
-                       Total CO2 (mol/kg)  =   6.070e-03
+                 Total alkalinity (eq/kg)  =   4.906e-03
+                       Total CO2 (mol/kg)  =   5.972e-03
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  17
                                   Total H  = 1.110124e+02
-                                  Total O  = 5.552086e+01
+                                  Total O  = 5.552061e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.158e-07   1.069e-07    -6.936    -6.971    -0.035      0.00
-   OH-             1.037e-07   9.466e-08    -6.984    -7.024    -0.040     -4.05
+   H+              1.164e-07   1.075e-07    -6.934    -6.969    -0.035      0.00
+   OH-             1.032e-07   9.418e-08    -6.986    -7.026    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
-C(-4)         4.416e-25
-   CH4             4.416e-25   4.424e-25   -24.355   -24.354     0.001     35.46
-C(4)          6.070e-03
-   HCO3-           4.882e-03   4.475e-03    -2.311    -2.349    -0.038     24.63
+C(-4)         4.428e-25
+   CH4             4.428e-25   4.435e-25   -24.354   -24.353     0.001     35.46
+C(4)          5.972e-03
+   HCO3-           4.857e-03   4.452e-03    -2.314    -2.351    -0.038     24.63
    CO2             1.075e-03   1.076e-03    -2.969    -2.968     0.000     34.43
-   CaHCO3+         1.050e-04   9.632e-05    -3.979    -4.016    -0.037      9.71
+   CaHCO3+         3.189e-05   2.927e-05    -4.496    -4.534    -0.037    122.68
    CaCO3           5.554e-06   5.563e-06    -5.255    -5.255     0.001    -14.60
-   CO3-2           2.780e-06   1.963e-06    -5.556    -5.707    -0.151     -3.84
+   CO3-2           2.752e-06   1.943e-06    -5.560    -5.711    -0.151     -3.73
    (CO2)2          2.121e-08   2.125e-08    -7.673    -7.673     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.687e-03    -2.621    -2.773    -0.151    -17.97
-   CaHCO3+         1.050e-04   9.632e-05    -3.979    -4.016    -0.037      9.71
+Ca            2.453e-03
+   Ca+2            2.415e-03   1.704e-03    -2.617    -2.768    -0.151    -17.97
+   CaHCO3+         3.189e-05   2.927e-05    -4.496    -4.534    -0.037    122.68
    CaCO3           5.554e-06   5.563e-06    -5.255    -5.255     0.001    -14.60
-   CaOH+           2.864e-09   2.618e-09    -8.543    -8.582    -0.039     (0)  
-H(0)          5.084e-15
-   H2              2.542e-15   2.546e-15   -14.595   -14.594     0.001     28.61
+   CaOH+           2.879e-09   2.632e-09    -8.541    -8.580    -0.039     (0)  
+H(0)          5.087e-15
+   H2              2.544e-15   2.548e-15   -14.595   -14.594     0.001     28.61
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -63.193   -63.192     0.001     30.40
 
@@ -285,64 +286,64 @@ Reaction 1.
 
 	Elements           Molality       Moles
 
-	C                 7.070e-03   7.070e-03
-	Ca                2.502e-03   2.502e-03
+	C                 6.972e-03   6.972e-03
+	Ca                2.453e-03   2.453e-03
 	N                 7.000e-05   7.000e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.832      Charge balance
-                                       pe  =  -3.723      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 456
-                          Density (g/cm³)  =   0.99738
-                               Volume (L)  =   1.00306
-                        Viscosity (mPa s)  =   0.89255
+                                       pH  =   6.829      Charge balance
+                                       pe  =  -3.721      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 460
+                          Density (g/cm³)  =   0.99737
+                               Volume (L)  =   1.00307
+                        Viscosity (mPa s)  =   0.89305
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.352e-03
+                 Ionic strength (mol/kgw)  =   7.354e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.073e-03
-                       Total CO2 (mol/kg)  =   6.570e-03
+                 Total alkalinity (eq/kg)  =   4.976e-03
+                       Total CO2 (mol/kg)  =   6.472e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  10
                                   Total H  = 1.110146e+02
-                                  Total O  = 5.552186e+01
+                                  Total O  = 5.552161e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.597e-07   1.474e-07    -6.797    -6.832    -0.035      0.00
-   OH-             7.527e-08   6.867e-08    -7.123    -7.163    -0.040     -4.05
+   H+              1.605e-07   1.481e-07    -6.795    -6.829    -0.035      0.00
+   OH-             7.491e-08   6.835e-08    -7.125    -7.165    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         5.001e-04
    CH4             5.001e-04   5.009e-04    -3.301    -3.300     0.001     35.46
-C(4)          6.570e-03
-   HCO3-           4.955e-03   4.540e-03    -2.305    -2.343    -0.038     24.63
+C(4)          6.472e-03
+   HCO3-           4.931e-03   4.518e-03    -2.307    -2.345    -0.038     24.63
    CO2             1.503e-03   1.504e-03    -2.823    -2.823     0.000     34.43
-   CaHCO3+         1.064e-04   9.758e-05    -3.973    -4.011    -0.037      9.71
-   CaCO3           4.082e-06   4.089e-06    -5.389    -5.388     0.001    -14.60
-   CO3-2           2.050e-06   1.445e-06    -5.688    -5.840    -0.152     -3.84
+   CaHCO3+         3.232e-05   2.966e-05    -4.490    -4.528    -0.037    122.68
+   CaCO3           4.086e-06   4.093e-06    -5.389    -5.388     0.001    -14.60
+   CO3-2           2.030e-06   1.431e-06    -5.692    -5.844    -0.152     -3.72
    (CO2)2          4.147e-08   4.154e-08    -7.382    -7.382     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.685e-03    -2.621    -2.773    -0.152    -17.97
-   CaHCO3+         1.064e-04   9.758e-05    -3.973    -4.011    -0.037      9.71
-   CaCO3           4.082e-06   4.089e-06    -5.389    -5.388     0.001    -14.60
-   CaOH+           2.076e-09   1.897e-09    -8.683    -8.722    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.702e-03    -2.617    -2.769    -0.152    -17.97
+   CaHCO3+         3.232e-05   2.966e-05    -4.490    -4.528    -0.037    122.68
+   CaCO3           4.086e-06   4.093e-06    -5.389    -5.388     0.001    -14.60
+   CaOH+           2.088e-09   1.908e-09    -8.680    -8.720    -0.039     (0)  
 H(0)          8.575e-10
    H2              4.288e-10   4.295e-10    -9.368    -9.367     0.001     28.61
-N(-3)         6.986e-05
+N(-3)         6.987e-05
    NH4+            6.962e-05   6.337e-05    -4.157    -4.198    -0.041     (0)  
-   NH3             2.446e-07   2.450e-07    -6.612    -6.611     0.001     (0)  
-N(0)          1.393e-07
-   N2              6.967e-08   6.979e-08    -7.157    -7.156     0.001     29.29
+   NH3             2.435e-07   2.439e-07    -6.614    -6.613     0.001     (0)  
+N(0)          1.380e-07
+   N2              6.901e-08   6.913e-08    -7.161    -7.160     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.351   -62.391    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -62.355   -62.395    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.704   -84.744    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -84.708   -84.748    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.647   -73.646     0.001     30.40
 
@@ -391,64 +392,64 @@ Reaction 1.
 
 	Elements           Molality       Moles
 
-	C                 8.070e-03   8.070e-03
-	Ca                2.502e-03   2.502e-03
+	C                 7.972e-03   7.972e-03
+	Ca                2.453e-03   2.453e-03
 	N                 1.400e-04   1.400e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.729      Charge balance
-                                       pe  =  -3.644      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 459
-                          Density (g/cm³)  =   0.99738
+                                       pH  =   6.727      Charge balance
+                                       pe  =  -3.642      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 463
+                          Density (g/cm³)  =   0.99737
                                Volume (L)  =   1.00310
-                        Viscosity (mPa s)  =   0.89257
+                        Viscosity (mPa s)  =   0.89307
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.421e-03
+                 Ionic strength (mol/kgw)  =   7.425e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.143e-03
-                       Total CO2 (mol/kg)  =   7.070e-03
+                 Total alkalinity (eq/kg)  =   5.046e-03
+                       Total CO2 (mol/kg)  =   6.972e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  15
                                   Total H  = 1.110169e+02
-                                  Total O  = 5.552286e+01
+                                  Total O  = 5.552261e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              2.025e-07   1.868e-07    -6.694    -6.729    -0.035      0.00
-   OH-             5.939e-08   5.417e-08    -7.226    -7.266    -0.040     -4.05
+   H+              2.034e-07   1.877e-07    -6.692    -6.727    -0.035      0.00
+   OH-             5.913e-08   5.392e-08    -7.228    -7.268    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.000e-03
    CH4             1.000e-03   1.002e-03    -3.000    -2.999     0.001     35.46
-C(4)          7.070e-03
-   HCO3-           5.026e-03   4.603e-03    -2.299    -2.337    -0.038     24.63
+C(4)          6.972e-03
+   HCO3-           5.003e-03   4.582e-03    -2.301    -2.339    -0.038     24.63
    CO2             1.932e-03   1.934e-03    -2.714    -2.714     0.000     34.43
-   CaHCO3+         1.077e-04   9.878e-05    -3.968    -4.005    -0.038      9.71
-   CaCO3           3.260e-06   3.265e-06    -5.487    -5.486     0.001    -14.60
-   CO3-2           1.642e-06   1.156e-06    -5.785    -5.937    -0.152     -3.84
+   CaHCO3+         3.275e-05   3.004e-05    -4.485    -4.522    -0.038    122.68
+   CaCO3           3.265e-06   3.271e-06    -5.486    -5.485     0.001    -14.60
+   CO3-2           1.627e-06   1.145e-06    -5.789    -5.941    -0.152     -3.72
    (CO2)2          6.852e-08   6.864e-08    -7.164    -7.163     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.682e-03    -2.621    -2.774    -0.153    -17.97
-   CaHCO3+         1.077e-04   9.878e-05    -3.968    -4.005    -0.038      9.71
-   CaCO3           3.260e-06   3.265e-06    -5.487    -5.486     0.001    -14.60
-   CaOH+           1.635e-09   1.494e-09    -8.786    -8.826    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.700e-03    -2.617    -2.770    -0.153    -17.97
+   CaHCO3+         3.275e-05   3.004e-05    -4.485    -4.522    -0.038    122.68
+   CaCO3           3.265e-06   3.271e-06    -5.486    -5.485     0.001    -14.60
+   CaOH+           1.646e-09   1.503e-09    -8.784    -8.823    -0.039     (0)  
 H(0)          9.577e-10
    H2              4.789e-10   4.797e-10    -9.320    -9.319     0.001     28.61
 N(-3)         1.398e-04
    NH4+            1.394e-04   1.268e-04    -3.856    -3.897    -0.041     (0)  
-   NH3             3.861e-07   3.868e-07    -6.413    -6.413     0.001     (0)  
-N(0)          2.492e-07
-   N2              1.246e-07   1.248e-07    -6.904    -6.904     0.001     29.29
+   NH3             3.844e-07   3.850e-07    -6.415    -6.414     0.001     (0)  
+N(0)          2.470e-07
+   N2              1.235e-07   1.237e-07    -6.908    -6.908     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.399   -62.440    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -62.403   -62.444    -0.041     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.800   -84.841    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -84.804   -84.845    -0.041     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.743   -73.742     0.001     30.40
 
@@ -456,13 +457,13 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.38     -8.71   -8.34  CaCO3
+  Aragonite        -0.37     -8.71   -8.34  CaCO3
   Calcite          -0.23     -8.71   -8.48  CaCO3
   CH4(g)           -0.20     -3.00   -2.80  CH4
   CO2(g)           -1.25     -2.71   -1.47  CO2
   H2(g)            -6.22     -9.32   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  N2(g)            -3.73     -6.90   -3.18  N2
+  N2(g)            -3.73     -6.91   -3.18  N2
   NH3(g)           -8.18     -6.41    1.77  NH3
   O2(g)           -70.85    -73.74   -2.89  O2
 
@@ -497,64 +498,64 @@ Reaction 1.
 
 	Elements           Molality       Moles
 
-	C                 9.070e-03   9.070e-03
-	Ca                2.502e-03   2.502e-03
+	C                 8.972e-03   8.972e-03
+	Ca                2.453e-03   2.453e-03
 	N                 2.100e-04   2.100e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.647      Charge balance
-                                       pe  =  -3.574      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 462
-                          Density (g/cm³)  =   0.99738
+                                       pH  =   6.645      Charge balance
+                                       pe  =  -3.572      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 465
+                          Density (g/cm³)  =   0.99737
                                Volume (L)  =   1.00313
-                        Viscosity (mPa s)  =   0.89258
+                        Viscosity (mPa s)  =   0.89310
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.490e-03
+                 Ionic strength (mol/kgw)  =   7.495e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.213e-03
-                       Total CO2 (mol/kg)  =   7.570e-03
+                 Total alkalinity (eq/kg)  =   5.116e-03
+                       Total CO2 (mol/kg)  =   7.472e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  14
+                               Iterations  =  15
                                   Total H  = 1.110191e+02
-                                  Total O  = 5.552386e+01
+                                  Total O  = 5.552361e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              2.443e-07   2.253e-07    -6.612    -6.647    -0.035      0.00
-   OH-             4.927e-08   4.492e-08    -7.307    -7.348    -0.040     -4.05
+   H+              2.453e-07   2.263e-07    -6.610    -6.645    -0.035      0.00
+   OH-             4.906e-08   4.473e-08    -7.309    -7.349    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.500e-03
    CH4             1.500e-03   1.503e-03    -2.824    -2.823     0.001     35.46
-C(4)          7.570e-03
-   HCO3-           5.096e-03   4.666e-03    -2.293    -2.331    -0.038     24.63
+C(4)          7.472e-03
+   HCO3-           5.074e-03   4.646e-03    -2.295    -2.333    -0.038     24.63
    CO2             2.361e-03   2.364e-03    -2.627    -2.626     0.000     34.43
-   CaHCO3+         1.090e-04   9.995e-05    -3.963    -4.000    -0.038      9.71
-   CaCO3           2.735e-06   2.740e-06    -5.563    -5.562     0.001    -14.60
-   CO3-2           1.382e-06   9.714e-07    -5.860    -6.013    -0.153     -3.84
+   CaHCO3+         3.317e-05   3.041e-05    -4.479    -4.517    -0.038    122.68
+   CaCO3           2.742e-06   2.747e-06    -5.562    -5.561     0.001    -14.60
+   CO3-2           1.370e-06   9.631e-07    -5.863    -6.016    -0.153     -3.72
    (CO2)2          1.024e-07   1.025e-07    -6.990    -6.989     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.390e-03   1.679e-03    -2.622    -2.775    -0.153    -17.97
-   CaHCO3+         1.090e-04   9.995e-05    -3.963    -4.000    -0.038      9.71
-   CaCO3           2.735e-06   2.740e-06    -5.563    -5.562     0.001    -14.60
-   CaOH+           1.354e-09   1.237e-09    -8.868    -8.908    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.698e-03    -2.617    -2.770    -0.153    -17.97
+   CaHCO3+         3.317e-05   3.041e-05    -4.479    -4.517    -0.038    122.68
+   CaCO3           2.742e-06   2.747e-06    -5.562    -5.561     0.001    -14.60
+   CaOH+           1.364e-09   1.245e-09    -8.865    -8.905    -0.039     (0)  
 H(0)          1.008e-09
    H2              5.040e-10   5.049e-10    -9.298    -9.297     0.001     28.61
 N(-3)         2.097e-04
    NH4+            2.092e-04   1.903e-04    -3.679    -3.721    -0.041     (0)  
-   NH3             4.805e-07   4.813e-07    -6.318    -6.318     0.001     (0)  
-N(0)          3.310e-07
-   N2              1.655e-07   1.658e-07    -6.781    -6.781     0.001     29.29
+   NH3             4.784e-07   4.792e-07    -6.320    -6.319     0.001     (0)  
+N(0)          3.281e-07
+   N2              1.640e-07   1.643e-07    -6.785    -6.784     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.452   -62.493    -0.041     25.02
+   NO2-            0.000e+00   0.000e+00   -62.456   -62.497    -0.041     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.876   -84.916    -0.041     29.54
+   NO3-            0.000e+00   0.000e+00   -84.879   -84.920    -0.041     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.787   -73.787     0.001     30.40
 
@@ -568,7 +569,7 @@ O(0)          0.000e+00
   CO2(g)           -1.16     -2.63   -1.47  CO2
   H2(g)            -6.20     -9.30   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
-  N2(g)            -3.60     -6.78   -3.18  N2
+  N2(g)            -3.61     -6.78   -3.18  N2
   NH3(g)           -8.09     -6.32    1.77  NH3
   O2(g)           -70.89    -73.79   -2.89  O2
 
@@ -611,70 +612,70 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.01   9.866e-01  0.998   0.000e+00   4.502e-04   4.502e-04
 CO2(g)            -1.09   8.149e-02  0.994   0.000e+00   3.719e-05   3.719e-05
 H2O(g)            -1.50   3.157e-02  0.995   0.000e+00   1.441e-05   1.441e-05
-N2(g)             -3.44   3.640e-04  1.000   0.000e+00   1.661e-07   1.661e-07
+N2(g)             -3.44   3.610e-04  1.000   0.000e+00   1.647e-07   1.647e-07
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 9.583e-03   9.582e-03
-	Ca                2.502e-03   2.502e-03
+	C                 9.485e-03   9.485e-03
+	Ca                2.453e-03   2.453e-03
 	N                 2.797e-04   2.797e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.586      Charge balance
-                                       pe  =  -3.506      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 465
-                          Density (g/cm³)  =   0.99739
+                                       pH  =   6.584      Charge balance
+                                       pe  =  -3.504      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 468
+                          Density (g/cm³)  =   0.99738
                                Volume (L)  =   1.00315
-                        Viscosity (mPa s)  =   0.89260
+                        Viscosity (mPa s)  =   0.89313
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.558e-03
-                       Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   5.283e-03
-                       Total CO2 (mol/kg)  =   8.033e-03
+                 Ionic strength (mol/kgw)  =   7.565e-03
+                       Mass of water (kg)  =   1.000e+00
+                 Total alkalinity (eq/kg)  =   5.185e-03
+                       Total CO2 (mol/kg)  =   7.935e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  20
                                   Total H  = 1.110194e+02
-                                  Total O  = 5.552477e+01
+                                  Total O  = 5.552452e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              2.813e-07   2.593e-07    -6.551    -6.586    -0.035      0.00
-   OH-             4.282e-08   3.903e-08    -7.368    -7.409    -0.040     -4.05
+   H+              2.824e-07   2.604e-07    -6.549    -6.584    -0.035      0.00
+   OH-             4.265e-08   3.887e-08    -7.370    -7.410    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.550e-03
    CH4             1.550e-03   1.553e-03    -2.810    -2.809     0.001     35.46
-C(4)          8.033e-03
-   HCO3-           5.165e-03   4.728e-03    -2.287    -2.325    -0.038     24.63
+C(4)          7.935e-03
+   HCO3-           5.144e-03   4.708e-03    -2.289    -2.327    -0.038     24.63
    CO2             2.753e-03   2.757e-03    -2.560    -2.560     0.000     34.43
-   CaHCO3+         1.103e-04   1.011e-04    -3.957    -3.995    -0.038      9.72
-   CaCO3           2.403e-06   2.408e-06    -5.619    -5.618     0.001    -14.60
-   CO3-2           1.218e-06   8.551e-07    -5.914    -6.068    -0.154     -3.83
+   CaHCO3+         3.358e-05   3.077e-05    -4.474    -4.512    -0.038    122.68
+   CaCO3           2.411e-06   2.415e-06    -5.618    -5.617     0.001    -14.60
+   CO3-2           1.208e-06   8.481e-07    -5.918    -6.072    -0.154     -3.72
    (CO2)2          1.392e-07   1.395e-07    -6.856    -6.855     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.389e-03   1.676e-03    -2.622    -2.776    -0.154    -17.96
-   CaHCO3+         1.103e-04   1.011e-04    -3.957    -3.995    -0.038      9.72
-   CaCO3           2.403e-06   2.408e-06    -5.619    -5.618     0.001    -14.60
-   CaOH+           1.175e-09   1.072e-09    -8.930    -8.970    -0.040     (0)  
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.695e-03    -2.617    -2.771    -0.154    -17.96
+   CaHCO3+         3.358e-05   3.077e-05    -4.474    -4.512    -0.038    122.68
+   CaCO3           2.411e-06   2.415e-06    -5.618    -5.617     0.001    -14.60
+   CaOH+           1.184e-09   1.080e-09    -8.927    -8.966    -0.040     (0)  
 H(0)          9.779e-10
    H2              4.890e-10   4.898e-10    -9.311    -9.310     0.001     28.61
 N(-3)         2.792e-04
-   NH4+            2.786e-04   2.533e-04    -3.555    -3.596    -0.041     (0)  
-   NH3             5.557e-07   5.567e-07    -6.255    -6.254     0.001     (0)  
-N(0)          4.849e-07
-   N2              2.424e-07   2.429e-07    -6.615    -6.615     0.001     29.29
+   NH4+            2.787e-04   2.533e-04    -3.555    -3.596    -0.041     (0)  
+   NH3             5.534e-07   5.544e-07    -6.257    -6.256     0.001     (0)  
+N(0)          4.809e-07
+   N2              2.404e-07   2.409e-07    -6.619    -6.618     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.411   -62.451    -0.041     25.02
+   NO2-            0.000e+00   0.000e+00   -62.414   -62.455    -0.041     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.821   -84.862    -0.041     29.54
+   NO3-            0.000e+00   0.000e+00   -84.824   -84.865    -0.041     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.761   -73.760     0.001     30.40
 
@@ -688,8 +689,8 @@ O(0)          0.000e+00
   CO2(g)           -1.09     -2.56   -1.47  CO2	 Pressure   0.1 atm, phi 0.994
   H2(g)            -6.21     -9.31   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O	 Pressure   0.0 atm, phi 0.995
-  N2(g)            -3.44     -6.61   -3.18  N2	 Pressure   0.0 atm, phi 1.000
-  NH3(g)           -8.02     -6.25    1.77  NH3
+  N2(g)            -3.44     -6.62   -3.18  N2	 Pressure   0.0 atm, phi 1.000
+  NH3(g)           -8.03     -6.26    1.77  NH3
   O2(g)           -70.87    -73.76   -2.89  O2
 
 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@@ -729,72 +730,72 @@ Total pressure:  1.10      atmospheres          (Peng-Robinson calculation)
 Component         log P           P    phi     Initial       Final       Delta
 
 CH4(g)            -0.03   9.437e-01  0.998   0.000e+00   2.520e-03   2.520e-03
-CO2(g)            -0.91   1.238e-01  0.994   0.000e+00   3.306e-04   3.306e-04
+CO2(g)            -0.91   1.238e-01  0.994   0.000e+00   3.305e-04   3.305e-04
 H2O(g)            -1.50   3.158e-02  0.995   0.000e+00   8.432e-05   8.432e-05
-N2(g)             -3.01   9.676e-04  1.000   0.000e+00   2.584e-06   2.584e-06
+N2(g)             -3.02   9.612e-04  1.000   0.000e+00   2.567e-06   2.567e-06
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 1.122e-02   1.122e-02
-	Ca                2.502e-03   2.502e-03
-	N                 5.549e-04   5.548e-04
+	C                 1.112e-02   1.112e-02
+	Ca                2.453e-03   2.453e-03
+	N                 5.549e-04   5.549e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.426      Charge balance
-                                       pe  =  -3.321      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 475
-                          Density (g/cm³)  =   0.99742
-                               Volume (L)  =   1.00319
-                        Viscosity (mPa s)  =   0.89266
+                                       pH  =   6.425      Charge balance
+                                       pe  =  -3.320      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 479
+                          Density (g/cm³)  =   0.99741
+                               Volume (L)  =   1.00320
+                        Viscosity (mPa s)  =   0.89323
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.824e-03
+                 Ionic strength (mol/kgw)  =   7.837e-03
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   5.557e-03
-                       Total CO2 (mol/kg)  =   9.737e-03
+                 Total alkalinity (eq/kg)  =   5.460e-03
+                       Total CO2 (mol/kg)  =   9.640e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  21
                                   Total H  = 1.110199e+02
-                                  Total O  = 5.552811e+01
+                                  Total O  = 5.552787e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              4.069e-07   3.747e-07    -6.391    -6.426    -0.036      0.00
-   OH-             2.968e-08   2.701e-08    -7.528    -7.569    -0.041     -4.05
+   H+              4.083e-07   3.760e-07    -6.389    -6.425    -0.036      0.00
+   OH-             2.958e-08   2.692e-08    -7.529    -7.570    -0.041     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.483e-03
    CH4             1.483e-03   1.485e-03    -2.829    -2.828     0.001     35.46
-C(4)          9.737e-03
-   HCO3-           5.436e-03   4.969e-03    -2.265    -2.304    -0.039     24.63
+C(4)          9.640e-03
+   HCO3-           5.419e-03   4.953e-03    -2.266    -2.305    -0.039     24.64
    CO2             4.182e-03   4.187e-03    -2.379    -2.378     0.001     34.43
-   CaHCO3+         1.153e-04   1.055e-04    -3.938    -3.977    -0.038      9.72
-   CaCO3           1.736e-06   1.739e-06    -5.761    -5.760     0.001    -14.60
-   CO3-2           8.908e-07   6.220e-07    -6.050    -6.206    -0.156     -3.83
+   CaHCO3+         3.516e-05   3.219e-05    -4.454    -4.492    -0.038    122.68
+   CaCO3           1.746e-06   1.749e-06    -5.758    -5.757     0.001    -14.60
+   CO3-2           8.851e-07   6.179e-07    -6.053    -6.209    -0.156     -3.71
    (CO2)2          3.213e-07   3.218e-07    -6.493    -6.492     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.385e-03   1.664e-03    -2.623    -2.779    -0.156    -17.96
-   CaHCO3+         1.153e-04   1.055e-04    -3.938    -3.977    -0.038      9.72
-   CaCO3           1.736e-06   1.739e-06    -5.761    -5.760     0.001    -14.60
-   CaOH+           8.084e-10   7.368e-10    -9.092    -9.133    -0.040     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.685e-03    -2.617    -2.773    -0.156    -17.96
+   CaHCO3+         3.516e-05   3.219e-05    -4.454    -4.492    -0.038    122.68
+   CaCO3           1.746e-06   1.749e-06    -5.758    -5.757     0.001    -14.60
+   CaOH+           8.161e-10   7.438e-10    -9.088    -9.129    -0.040     (0)  
 H(0)          8.711e-10
    H2              4.355e-10   4.363e-10    -9.361    -9.360     0.001     28.61
 N(-3)         5.536e-04
-   NH4+            5.528e-04   5.018e-04    -3.257    -3.299    -0.042     (0)  
-   NH3             7.617e-07   7.631e-07    -6.118    -6.117     0.001     (0)  
-N(0)          1.289e-06
-   N2              6.444e-07   6.456e-07    -6.191    -6.190     0.001     29.29
+   NH4+            5.529e-04   5.018e-04    -3.257    -3.299    -0.042     (0)  
+   NH3             7.592e-07   7.606e-07    -6.120    -6.119     0.001     (0)  
+N(0)          1.280e-06
+   N2              6.402e-07   6.413e-07    -6.194    -6.193     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.282   -62.324    -0.041     25.02
+   NO2-            0.000e+00   0.000e+00   -62.285   -62.327    -0.042     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.642   -84.684    -0.041     29.54
+   NO3-            0.000e+00   0.000e+00   -84.645   -84.687    -0.042     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.661   -73.660     0.001     30.40
 
@@ -802,13 +803,13 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.65     -8.99   -8.34  CaCO3
-  Calcite          -0.51     -8.99   -8.48  CaCO3
+  Aragonite        -0.65     -8.98   -8.34  CaCO3
+  Calcite          -0.50     -8.98   -8.48  CaCO3
   CH4(g)           -0.03     -2.83   -2.80  CH4	 Pressure   0.9 atm, phi 0.998
   CO2(g)           -0.91     -2.38   -1.47  CO2	 Pressure   0.1 atm, phi 0.994
   H2(g)            -6.26     -9.36   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O	 Pressure   0.0 atm, phi 0.995
-  N2(g)            -3.01     -6.19   -3.18  N2	 Pressure   0.0 atm, phi 1.000
+  N2(g)            -3.02     -6.19   -3.18  N2	 Pressure   0.0 atm, phi 1.000
   NH3(g)           -7.89     -6.12    1.77  NH3
   O2(g)           -70.77    -73.66   -2.89  O2
 
@@ -851,70 +852,70 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.06   8.731e-01  0.998   0.000e+00   6.645e-03   6.645e-03
 CO2(g)            -0.72   1.927e-01  0.994   0.000e+00   1.466e-03   1.466e-03
 H2O(g)            -1.50   3.159e-02  0.994   0.000e+00   2.404e-04   2.404e-04
-N2(g)             -2.58   2.647e-03  1.000   0.000e+00   2.014e-05   2.014e-05
+N2(g)             -2.58   2.636e-03  1.000   0.000e+00   2.006e-05   2.006e-05
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 1.396e-02   1.396e-02
-	Ca                2.502e-03   2.502e-03
+	C                 1.386e-02   1.386e-02
+	Ca                2.453e-03   2.453e-03
 	N                 1.080e-03   1.080e-03
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.272      Charge balance
-                                       pe  =  -3.139      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 496
-                          Density (g/cm³)  =   0.99747
+                                       pe  =  -3.138      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 499
+                          Density (g/cm³)  =   0.99746
                                Volume (L)  =   1.00327
-                        Viscosity (mPa s)  =   0.89277
+                        Viscosity (mPa s)  =   0.89344
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   8.329e-03
+                 Ionic strength (mol/kgw)  =   8.355e-03
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   6.080e-03
-                       Total CO2 (mol/kg)  =   1.259e-02
+                 Total alkalinity (eq/kg)  =   5.982e-03
+                       Total CO2 (mol/kg)  =   1.249e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  23
+                               Iterations  =  22
                                   Total H  = 1.110207e+02
-                                  Total O  = 5.553368e+01
+                                  Total O  = 5.553344e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              5.811e-07   5.340e-07    -6.236    -6.272    -0.037      0.00
-   OH-             2.088e-08   1.895e-08    -7.680    -7.722    -0.042     -4.04
+   H+              5.823e-07   5.351e-07    -6.235    -6.272    -0.037      0.00
+   OH-             2.084e-08   1.891e-08    -7.681    -7.723    -0.042     -4.04
    H2O             5.551e+01   9.997e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.372e-03
    CH4             1.372e-03   1.374e-03    -2.863    -2.862     0.001     35.46
-C(4)          1.259e-02
+C(4)          1.249e-02
    CO2             6.509e-03   6.517e-03    -2.187    -2.186     0.001     34.43
-   HCO3-           5.951e-03   5.427e-03    -2.225    -2.265    -0.040     24.64
-   CaHCO3+         1.245e-04   1.137e-04    -3.905    -3.944    -0.039      9.72
-   CaCO3           1.312e-06   1.314e-06    -5.882    -5.881     0.001    -14.60
+   HCO3-           5.940e-03   5.416e-03    -2.226    -2.266    -0.040     24.64
+   CaHCO3+         3.812e-05   3.480e-05    -4.419    -4.458    -0.040    122.68
+   CaCO3           1.327e-06   1.329e-06    -5.877    -5.876     0.001    -14.60
    (CO2)2          7.781e-07   7.796e-07    -6.109    -6.108     0.001     68.87
-   CO3-2           6.893e-07   4.766e-07    -6.162    -6.322    -0.160     -3.82
-Ca            2.502e-03
-   Ca+2            2.376e-03   1.642e-03    -2.624    -2.785    -0.161    -17.95
-   CaHCO3+         1.245e-04   1.137e-04    -3.905    -3.944    -0.039      9.72
-   CaCO3           1.312e-06   1.314e-06    -5.882    -5.881     0.001    -14.60
-   CaOH+           5.610e-10   5.100e-10    -9.251    -9.292    -0.041     (0)  
+   CO3-2           6.869e-07   4.747e-07    -6.163    -6.324    -0.160     -3.70
+Ca            2.453e-03
+   Ca+2            2.414e-03   1.667e-03    -2.617    -2.778    -0.161    -17.95
+   CaHCO3+         3.812e-05   3.480e-05    -4.419    -4.458    -0.040    122.68
+   CaCO3           1.327e-06   1.329e-06    -5.877    -5.876     0.001    -14.60
+   CaOH+           5.685e-10   5.168e-10    -9.245    -9.287    -0.041     (0)  
 H(0)          7.648e-10
    H2              3.824e-10   3.831e-10    -9.417    -9.417     0.001     28.61
 N(-3)         1.076e-03
-   NH4+            1.075e-03   9.732e-04    -2.969    -3.012    -0.043     (0)  
-   NH3             1.036e-06   1.038e-06    -5.984    -5.984     0.001     (0)  
-N(0)          3.525e-06
-   N2              1.763e-06   1.766e-06    -5.754    -5.753     0.001     29.29
+   NH4+            1.075e-03   9.732e-04    -2.968    -3.012    -0.043     (0)  
+   NH3             1.034e-06   1.036e-06    -5.985    -5.984     0.001     (0)  
+N(0)          3.511e-06
+   N2              1.756e-06   1.759e-06    -5.756    -5.755     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -62.132   -62.174    -0.043     25.02
+   NO2-            0.000e+00   0.000e+00   -62.133   -62.176    -0.043     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.435   -84.478    -0.043     29.55
+   NO3-            0.000e+00   0.000e+00   -84.437   -84.480    -0.043     29.55
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.548   -73.547     0.001     30.40
 
@@ -922,8 +923,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.77     -9.11   -8.34  CaCO3
-  Calcite          -0.63     -9.11   -8.48  CaCO3
+  Aragonite        -0.77     -9.10   -8.34  CaCO3
+  Calcite          -0.62     -9.10   -8.48  CaCO3
   CH4(g)           -0.06     -2.86   -2.80  CH4	 Pressure   0.9 atm, phi 0.998
   CO2(g)           -0.72     -2.19   -1.47  CO2	 Pressure   0.2 atm, phi 0.994
   H2(g)            -6.32     -9.42   -3.10  H2
@@ -971,70 +972,70 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.11   7.773e-01  0.998   0.000e+00   1.489e-02   1.489e-02
 CO2(g)            -0.55   2.836e-01  0.994   0.000e+00   5.433e-03   5.433e-03
 H2O(g)            -1.50   3.161e-02  0.994   0.000e+00   6.054e-04   6.054e-04
-N2(g)             -2.13   7.474e-03  1.000   0.000e+00   1.432e-04   1.432e-04
+N2(g)             -2.13   7.467e-03  1.000   0.000e+00   1.430e-04   1.430e-04
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 1.775e-02   1.775e-02
-	Ca                2.502e-03   2.502e-03
+	C                 1.765e-02   1.765e-02
+	Ca                2.453e-03   2.453e-03
 	N                 1.954e-03   1.954e-03
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.161      Charge balance
                                        pe  =  -3.000      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 531
-                          Density (g/cm³)  =   0.99755
-                               Volume (L)  =   1.00337
-                        Viscosity (mPa s)  =   0.89296
+      Specific Conductance (µS/cm,  25°C)  = 532
+                          Density (g/cm³)  =   0.99754
+                               Volume (L)  =   1.00338
+                        Viscosity (mPa s)  =   0.89377
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   9.168e-03
+                 Ionic strength (mol/kgw)  =   9.214e-03
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   6.948e-03
-                       Total CO2 (mol/kg)  =   1.653e-02
+                 Total alkalinity (eq/kg)  =   6.850e-03
+                       Total CO2 (mol/kg)  =   1.643e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  22
                                   Total H  = 1.110224e+02
-                                  Total O  = 5.554139e+01
+                                  Total O  = 5.554114e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.533e-07   6.901e-07    -6.123    -6.161    -0.038      0.00
-   OH-             1.623e-08   1.466e-08    -7.790    -7.834    -0.044     -4.04
+   H+              7.537e-07   6.903e-07    -6.123    -6.161    -0.038      0.00
+   OH-             1.622e-08   1.466e-08    -7.790    -7.834    -0.044     -4.04
    H2O             5.551e+01   9.996e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.221e-03
    CH4             1.221e-03   1.224e-03    -2.913    -2.912     0.001     35.46
-C(4)          1.653e-02
+C(4)          1.643e-02
    CO2             9.579e-03   9.592e-03    -2.019    -2.018     0.001     34.43
-   HCO3-           6.804e-03   6.181e-03    -2.167    -2.209    -0.042     24.64
-   CaHCO3+         1.393e-04   1.267e-04    -3.856    -3.897    -0.041      9.72
+   HCO3-           6.803e-03   6.178e-03    -2.167    -2.209    -0.042     24.64
+   CaHCO3+         4.289e-05   3.901e-05    -4.368    -4.409    -0.041    122.69
    (CO2)2          1.685e-06   1.689e-06    -5.773    -5.772     0.001     68.87
-   CaCO3           1.131e-06   1.134e-06    -5.946    -5.946     0.001    -14.60
-   CO3-2           6.170e-07   4.201e-07    -6.210    -6.377    -0.167     -3.80
-Ca            2.502e-03
-   Ca+2            2.361e-03   1.607e-03    -2.627    -2.794    -0.167    -17.94
-   CaHCO3+         1.393e-04   1.267e-04    -3.856    -3.897    -0.041      9.72
-   CaCO3           1.131e-06   1.134e-06    -5.946    -5.946     0.001    -14.60
-   CaOH+           4.266e-10   3.862e-10    -9.370    -9.413    -0.043     (0)  
+   CaCO3           1.152e-06   1.155e-06    -5.938    -5.938     0.001    -14.60
+   CO3-2           6.171e-07   4.198e-07    -6.210    -6.377    -0.167     -3.68
+Ca            2.453e-03
+   Ca+2            2.409e-03   1.638e-03    -2.618    -2.786    -0.168    -17.94
+   CaHCO3+         4.289e-05   3.901e-05    -4.368    -4.409    -0.041    122.69
+   CaCO3           1.152e-06   1.155e-06    -5.938    -5.938     0.001    -14.60
+   CaOH+           4.347e-10   3.935e-10    -9.362    -9.405    -0.043     (0)  
 H(0)          6.743e-10
    H2              3.372e-10   3.379e-10    -9.472    -9.471     0.001     28.61
 N(-3)         1.944e-03
-   NH4+            1.942e-03   1.750e-03    -2.712    -2.757    -0.045     (0)  
+   NH4+            1.943e-03   1.750e-03    -2.712    -2.757    -0.045     (0)  
    NH3             1.442e-06   1.445e-06    -5.841    -5.840     0.001     (0)  
-N(0)          9.954e-06
-   N2              4.977e-06   4.988e-06    -5.303    -5.302     0.001     29.29
+N(0)          9.945e-06
+   N2              4.972e-06   4.983e-06    -5.303    -5.303     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.934   -61.978    -0.045     25.03
+   NO2-            0.000e+00   0.000e+00   -61.934   -61.979    -0.045     25.03
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -84.183   -84.227    -0.045     29.55
+   NO3-            0.000e+00   0.000e+00   -84.183   -84.228    -0.045     29.55
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.439   -73.438     0.001     30.40
 
@@ -1042,8 +1043,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.83     -9.17   -8.34  CaCO3
-  Calcite          -0.69     -9.17   -8.48  CaCO3
+  Aragonite        -0.83     -9.16   -8.34  CaCO3
+  Calcite          -0.68     -9.16   -8.48  CaCO3
   CH4(g)           -0.11     -2.91   -2.80  CH4	 Pressure   0.8 atm, phi 0.998
   CO2(g)           -0.55     -2.02   -1.47  CO2	 Pressure   0.3 atm, phi 0.994
   H2(g)            -6.37     -9.47   -3.10  H2
@@ -1091,70 +1092,70 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.17   6.819e-01  0.998   0.000e+00   3.152e-02   3.152e-02
 CO2(g)            -0.43   3.697e-01  0.994   0.000e+00   1.709e-02   1.709e-02
 H2O(g)            -1.50   3.162e-02  0.993   0.000e+00   1.462e-03   1.462e-03
-N2(g)             -1.77   1.682e-02  1.000   0.000e+00   7.776e-04   7.776e-04
+N2(g)             -1.77   1.683e-02  1.000   0.000e+00   7.780e-04   7.780e-04
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 2.146e-02   2.146e-02
-	Ca                2.502e-03   2.502e-03
-	N                 2.925e-03   2.925e-03
+	C                 2.137e-02   2.136e-02
+	Ca                2.453e-03   2.453e-03
+	N                 2.924e-03   2.924e-03
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.101      Charge balance
                                        pe  =  -2.919      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 569
-                          Density (g/cm³)  =   0.99763
+      Specific Conductance (µS/cm,  25°C)  = 568
+                          Density (g/cm³)  =   0.99762
                                Volume (L)  =   1.00348
-                        Viscosity (mPa s)  =   0.89316
+                        Viscosity (mPa s)  =   0.89414
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   1.009e-02
+                 Ionic strength (mol/kgw)  =   1.016e-02
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   7.907e-03
-                       Total CO2 (mol/kg)  =   2.039e-02
+                 Total alkalinity (eq/kg)  =   7.808e-03
+                       Total CO2 (mol/kg)  =   2.029e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  20
                                   Total H  = 1.110249e+02
-                                  Total O  = 5.554922e+01
+                                  Total O  = 5.554898e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              8.686e-07   7.931e-07    -6.061    -6.101    -0.040      0.00
-   OH-             1.418e-08   1.276e-08    -7.848    -7.894    -0.046     -4.03
+   H+              8.681e-07   7.925e-07    -6.061    -6.101    -0.040      0.00
+   OH-             1.420e-08   1.277e-08    -7.848    -7.894    -0.046     -4.03
    H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.071e-03
    CH4             1.071e-03   1.073e-03    -2.970    -2.969     0.001     35.46
-C(4)          2.039e-02
+C(4)          2.029e-02
    CO2             1.248e-02   1.250e-02    -1.904    -1.903     0.001     34.43
-   HCO3-           7.747e-03   7.009e-03    -2.111    -2.154    -0.043     24.65
-   CaHCO3+         1.550e-04   1.404e-04    -3.810    -3.853    -0.043      9.72
+   HCO3-           7.756e-03   7.015e-03    -2.110    -2.154    -0.044     24.65
+   CaHCO3+         4.799e-05   4.348e-05    -4.319    -4.362    -0.043    122.69
    (CO2)2          2.862e-06   2.869e-06    -5.543    -5.542     0.001     68.87
-   CaCO3           1.091e-06   1.093e-06    -5.962    -5.961     0.001    -14.60
-   CO3-2           6.187e-07   4.145e-07    -6.209    -6.382    -0.174     -3.78
-Ca            2.502e-03
-   Ca+2            2.346e-03   1.570e-03    -2.630    -2.804    -0.174    -17.93
-   CaHCO3+         1.550e-04   1.404e-04    -3.810    -3.853    -0.043      9.72
-   CaCO3           1.091e-06   1.093e-06    -5.962    -5.961     0.001    -14.60
-   CaOH+           3.643e-10   3.285e-10    -9.438    -9.484    -0.045     (0)  
+   CaCO3           1.119e-06   1.121e-06    -5.951    -5.950     0.001    -14.60
+   CO3-2           6.204e-07   4.152e-07    -6.207    -6.382    -0.174     -3.66
+Ca            2.453e-03
+   Ca+2            2.404e-03   1.608e-03    -2.619    -2.794    -0.175    -17.92
+   CaHCO3+         4.799e-05   4.348e-05    -4.319    -4.362    -0.043    122.69
+   CaCO3           1.119e-06   1.121e-06    -5.951    -5.950     0.001    -14.60
+   CaOH+           3.734e-10   3.365e-10    -9.428    -9.473    -0.045     (0)  
 H(0)          6.106e-10
    H2              3.053e-10   3.060e-10    -9.515    -9.514     0.001     28.61
-N(-3)         2.903e-03
-   NH4+            2.901e-03   2.601e-03    -2.537    -2.585    -0.047     (0)  
-   NH3             1.865e-06   1.869e-06    -5.729    -5.728     0.001     (0)  
-N(0)          2.240e-05
-   N2              1.120e-05   1.123e-05    -4.951    -4.950     0.001     29.29
+N(-3)         2.902e-03
+   NH4+            2.900e-03   2.600e-03    -2.538    -2.585    -0.047     (0)  
+   NH3             1.865e-06   1.870e-06    -5.729    -5.728     0.001     (0)  
+N(0)          2.241e-05
+   N2              1.121e-05   1.123e-05    -4.951    -4.950     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.752   -61.798    -0.047     25.03
+   NO2-            0.000e+00   0.000e+00   -61.751   -61.798    -0.047     25.03
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.958   -84.004    -0.047     29.55
+   NO3-            0.000e+00   0.000e+00   -83.957   -84.004    -0.047     29.56
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.353   -73.352     0.001     30.40
 
@@ -1162,8 +1163,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.85     -9.19   -8.34  CaCO3
-  Calcite          -0.71     -9.19   -8.48  CaCO3
+  Aragonite        -0.84     -9.18   -8.34  CaCO3
+  Calcite          -0.70     -9.18   -8.48  CaCO3
   CH4(g)           -0.17     -2.97   -2.80  CH4	 Pressure   0.7 atm, phi 0.998
   CO2(g)           -0.43     -1.90   -1.47  CO2	 Pressure   0.4 atm, phi 0.994
   H2(g)            -6.41     -9.51   -3.10  H2
@@ -1211,66 +1212,66 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.21   6.176e-01  0.998   0.000e+00   6.350e-02   6.350e-02
 CO2(g)            -0.37   4.254e-01  0.994   0.000e+00   4.373e-02   4.373e-02
 H2O(g)            -1.50   3.163e-02  0.993   0.000e+00   3.252e-03   3.252e-03
-N2(g)             -1.60   2.536e-02  1.001   0.000e+00   2.607e-03   2.607e-03
+N2(g)             -1.60   2.537e-02  1.001   0.000e+00   2.608e-03   2.608e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 2.384e-02   2.384e-02
-	Ca                2.502e-03   2.502e-03
-	N                 3.536e-03   3.535e-03
+	C                 2.374e-02   2.374e-02
+	Ca                2.453e-03   2.453e-03
+	N                 3.533e-03   3.533e-03
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.071      Charge balance
-                                       pe  =  -2.875      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 593
-                          Density (g/cm³)  =   0.99768
+                                       pe  =  -2.876      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 591
+                          Density (g/cm³)  =   0.99767
                                Volume (L)  =   1.00356
-                        Viscosity (mPa s)  =   0.89329
+                        Viscosity (mPa s)  =   0.89437
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   1.067e-02
+                 Ionic strength (mol/kgw)  =   1.075e-02
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   8.506e-03
-                       Total CO2 (mol/kg)  =   2.287e-02
+                 Total alkalinity (eq/kg)  =   8.406e-03
+                       Total CO2 (mol/kg)  =   2.277e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  21
                                   Total H  = 1.110282e+02
-                                  Total O  = 5.555515e+01
+                                  Total O  = 5.555490e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.328e-07   8.501e-07    -6.030    -6.071    -0.040      0.00
-   OH-             1.327e-08   1.190e-08    -7.877    -7.924    -0.047     -4.03
+   H+              9.319e-07   8.490e-07    -6.031    -6.071    -0.040      0.00
+   OH-             1.329e-08   1.192e-08    -7.877    -7.924    -0.047     -4.03
    H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.07
 C(-4)         9.699e-04
    CH4             9.699e-04   9.723e-04    -3.013    -3.012     0.001     35.46
-C(4)          2.287e-02
+C(4)          2.277e-02
    CO2             1.436e-02   1.439e-02    -1.843    -1.842     0.001     34.43
-   HCO3-           8.337e-03   7.524e-03    -2.079    -2.124    -0.045     24.66
-   CaHCO3+         1.645e-04   1.487e-04    -3.784    -3.828    -0.044      9.73
+   HCO3-           8.350e-03   7.534e-03    -2.078    -2.123    -0.045     24.65
+   CaHCO3+         5.109e-05   4.618e-05    -4.292    -4.336    -0.044    122.69
    (CO2)2          3.789e-06   3.799e-06    -5.421    -5.420     0.001     68.87
-   CaCO3           1.078e-06   1.080e-06    -5.967    -5.966     0.001    -14.60
-   CO3-2           6.257e-07   4.152e-07    -6.204    -6.382    -0.178     -3.76
-Ca            2.502e-03
-   Ca+2            2.336e-03   1.549e-03    -2.631    -2.810    -0.178    -17.92
-   CaHCO3+         1.645e-04   1.487e-04    -3.784    -3.828    -0.044      9.73
-   CaCO3           1.078e-06   1.080e-06    -5.967    -5.966     0.001    -14.60
-   CaOH+           3.362e-10   3.023e-10    -9.473    -9.520    -0.046     (0)  
-H(0)          5.751e-10
+   CaCO3           1.109e-06   1.112e-06    -5.955    -5.954     0.001    -14.60
+   CO3-2           6.280e-07   4.162e-07    -6.202    -6.381    -0.179     -3.65
+Ca            2.453e-03
+   Ca+2            2.401e-03   1.590e-03    -2.620    -2.799    -0.179    -17.92
+   CaHCO3+         5.109e-05   4.618e-05    -4.292    -4.336    -0.044    122.69
+   CaCO3           1.109e-06   1.112e-06    -5.955    -5.954     0.001    -14.60
+   CaOH+           3.456e-10   3.106e-10    -9.461    -9.508    -0.046     (0)  
+H(0)          5.750e-10
    H2              2.875e-10   2.882e-10    -9.541    -9.540     0.001     28.61
-N(-3)         3.502e-03
-   NH4+            3.500e-03   3.130e-03    -2.456    -2.505    -0.049     (0)  
+N(-3)         3.500e-03
+   NH4+            3.498e-03   3.126e-03    -2.456    -2.505    -0.049     (0)  
    NH3             2.093e-06   2.098e-06    -5.679    -5.678     0.001     (0)  
-N(0)          3.377e-05
-   N2              1.689e-05   1.693e-05    -4.772    -4.771     0.001     29.29
+N(0)          3.379e-05
+   N2              1.689e-05   1.694e-05    -4.772    -4.771     0.001     29.29
 N(3)          0.000e+00
    NO2-            0.000e+00   0.000e+00   -61.652   -61.700    -0.048     25.03
 N(5)          0.000e+00
@@ -1282,8 +1283,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.86     -9.19   -8.34  CaCO3
-  Calcite          -0.71     -9.19   -8.48  CaCO3
+  Aragonite        -0.84     -9.18   -8.34  CaCO3
+  Calcite          -0.70     -9.18   -8.48  CaCO3
   CH4(g)           -0.21     -3.01   -2.80  CH4	 Pressure   0.6 atm, phi 0.998
   CO2(g)           -0.37     -1.84   -1.47  CO2	 Pressure   0.4 atm, phi 0.994
   H2(g)            -6.44     -9.54   -3.10  H2
@@ -1331,70 +1332,70 @@ Component         log P           P    phi     Initial       Final       Delta
 CH4(g)            -0.24   5.807e-01  0.998   0.000e+00   1.292e-01   1.292e-01
 CO2(g)            -0.34   4.570e-01  0.994   0.000e+00   1.017e-01   1.017e-01
 H2O(g)            -1.50   3.163e-02  0.993   0.000e+00   7.039e-03   7.039e-03
-N2(g)             -1.51   3.067e-02  1.001   0.000e+00   6.826e-03   6.826e-03
+N2(g)             -1.51   3.068e-02  1.001   0.000e+00   6.827e-03   6.827e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 2.516e-02   2.516e-02
-	Ca                2.502e-03   2.502e-03
-	N                 3.849e-03   3.849e-03
+	C                 2.506e-02   2.506e-02
+	Ca                2.453e-03   2.453e-03
+	N                 3.846e-03   3.845e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.054      Charge balance
-                                       pe  =  -2.852      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 605
-                          Density (g/cm³)  =   0.99771
-                               Volume (L)  =   1.00364
-                        Viscosity (mPa s)  =   0.89335
+                                       pH  =   6.055      Charge balance
+                                       pe  =  -2.853      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 602
+                          Density (g/cm³)  =   0.99770
+                               Volume (L)  =   1.00365
+                        Viscosity (mPa s)  =   0.89448
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   1.097e-02
+                 Ionic strength (mol/kgw)  =   1.105e-02
                        Mass of water (kg)  =   9.999e-01
-                 Total alkalinity (eq/kg)  =   8.812e-03
-                       Total CO2 (mol/kg)  =   2.425e-02
+                 Total alkalinity (eq/kg)  =   8.711e-03
+                       Total CO2 (mol/kg)  =   2.415e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  20
                                   Total H  = 1.110340e+02
-                                  Total O  = 5.556044e+01
+                                  Total O  = 5.556019e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.693e-07   8.824e-07    -6.014    -6.054    -0.041      0.00
-   OH-             1.280e-08   1.147e-08    -7.893    -7.941    -0.048     -4.03
+   H+              9.682e-07   8.811e-07    -6.014    -6.055    -0.041      0.00
+   OH-             1.282e-08   1.148e-08    -7.892    -7.940    -0.048     -4.03
    H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.07
 C(-4)         9.119e-04
    CH4             9.119e-04   9.142e-04    -3.040    -3.039     0.001     35.46
-C(4)          2.425e-02
+C(4)          2.415e-02
    CO2             1.543e-02   1.546e-02    -1.812    -1.811     0.001     34.43
-   HCO3-           8.638e-03   7.787e-03    -2.064    -2.109    -0.045     24.66
-   CaHCO3+         1.693e-04   1.529e-04    -3.771    -3.816    -0.044      9.73
+   HCO3-           8.653e-03   7.798e-03    -2.063    -2.108    -0.045     24.65
+   CaHCO3+         5.266e-05   4.754e-05    -4.279    -4.323    -0.044    122.69
    (CO2)2          4.373e-06   4.384e-06    -5.359    -5.358     0.001     68.87
-   CaCO3           1.067e-06   1.070e-06    -5.972    -5.971     0.001    -14.60
-   CO3-2           6.268e-07   4.139e-07    -6.203    -6.383    -0.180     -3.76
-Ca            2.502e-03
-   Ca+2            2.331e-03   1.539e-03    -2.632    -2.813    -0.181    -17.91
-   CaHCO3+         1.693e-04   1.529e-04    -3.771    -3.816    -0.044      9.73
-   CaCO3           1.067e-06   1.070e-06    -5.972    -5.971     0.001    -14.60
-   CaOH+           3.220e-10   2.892e-10    -9.492    -9.539    -0.047     (0)  
+   CaCO3           1.100e-06   1.103e-06    -5.959    -5.958     0.001    -14.60
+   CO3-2           6.294e-07   4.151e-07    -6.201    -6.382    -0.181     -3.65
+Ca            2.453e-03
+   Ca+2            2.399e-03   1.581e-03    -2.620    -2.801    -0.181    -17.91
+   CaHCO3+         5.266e-05   4.754e-05    -4.279    -4.323    -0.044    122.69
+   CaCO3           1.100e-06   1.103e-06    -5.959    -5.958     0.001    -14.60
+   CaOH+           3.315e-10   2.977e-10    -9.479    -9.526    -0.047     (0)  
 H(0)          5.562e-10
    H2              2.781e-10   2.788e-10    -9.556    -9.555     0.001     28.61
-N(-3)         3.808e-03
-   NH4+            3.806e-03   3.399e-03    -2.420    -2.469    -0.049     (0)  
-   NH3             2.189e-06   2.195e-06    -5.660    -5.659     0.001     (0)  
-N(0)          4.085e-05
-   N2              2.042e-05   2.048e-05    -4.690    -4.689     0.001     29.29
+N(-3)         3.805e-03
+   NH4+            3.803e-03   3.394e-03    -2.420    -2.469    -0.049     (0)  
+   NH3             2.190e-06   2.195e-06    -5.660    -5.659     0.001     (0)  
+N(0)          4.086e-05
+   N2              2.043e-05   2.048e-05    -4.690    -4.689     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.605   -61.653    -0.048     25.04
+   NO2-            0.000e+00   0.000e+00   -61.604   -61.653    -0.049     25.04
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.771   -83.819    -0.048     29.56
+   NO3-            0.000e+00   0.000e+00   -83.770   -83.818    -0.049     29.56
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.272   -73.271     0.001     30.40
 
@@ -1402,8 +1403,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.86     -9.20   -8.34  CaCO3
-  Calcite          -0.72     -9.20   -8.48  CaCO3
+  Aragonite        -0.85     -9.18   -8.34  CaCO3
+  Calcite          -0.70     -9.18   -8.48  CaCO3
   CH4(g)           -0.24     -3.04   -2.80  CH4	 Pressure   0.6 atm, phi 0.998
   CO2(g)           -0.34     -1.81   -1.47  CO2	 Pressure   0.5 atm, phi 0.994
   H2(g)            -6.45     -9.55   -3.10  H2
@@ -1457,64 +1458,64 @@ N2(g)             -1.48   3.341e-02  1.001   0.000e+00   1.550e-02   1.550e-02
 
 	Elements           Molality       Moles
 
-	C                 2.581e-02   2.581e-02
-	Ca                2.502e-03   2.502e-03
-	N                 3.996e-03   3.996e-03
+	C                 2.571e-02   2.571e-02
+	Ca                2.453e-03   2.453e-03
+	N                 3.992e-03   3.992e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.046      Charge balance
-                                       pe  =  -2.840      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 610
-                          Density (g/cm³)  =   0.99772
+                                       pH  =   6.047      Charge balance
+                                       pe  =  -2.841      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 608
+                          Density (g/cm³)  =   0.99771
                                Volume (L)  =   1.00376
-                        Viscosity (mPa s)  =   0.89338
+                        Viscosity (mPa s)  =   0.89454
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   1.111e-02
+                 Ionic strength (mol/kgw)  =   1.119e-02
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   8.955e-03
-                       Total CO2 (mol/kg)  =   2.493e-02
+                 Total alkalinity (eq/kg)  =   8.853e-03
+                       Total CO2 (mol/kg)  =   2.483e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  26
                                   Total H  = 1.110450e+02
-                                  Total O  = 5.556719e+01
+                                  Total O  = 5.556694e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.882e-07   8.992e-07    -6.005    -6.046    -0.041      0.00
-   OH-             1.256e-08   1.125e-08    -7.901    -7.949    -0.048     -4.03
+   H+              9.870e-07   8.978e-07    -6.006    -6.047    -0.041      0.00
+   OH-             1.259e-08   1.127e-08    -7.900    -7.948    -0.048     -4.03
    H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.07
 C(-4)         8.824e-04
-   CH4             8.824e-04   8.847e-04    -3.054    -3.053     0.001     35.46
-C(4)          2.493e-02
+   CH4             8.824e-04   8.846e-04    -3.054    -3.053     0.001     35.46
+C(4)          2.483e-02
    CO2             1.597e-02   1.600e-02    -1.797    -1.796     0.001     34.43
-   HCO3-           8.779e-03   7.909e-03    -2.057    -2.102    -0.045     24.66
-   CaHCO3+         1.715e-04   1.548e-04    -3.766    -3.810    -0.045      9.73
+   HCO3-           8.795e-03   7.921e-03    -2.056    -2.101    -0.045     24.65
+   CaHCO3+         5.338e-05   4.816e-05    -4.273    -4.317    -0.045    122.69
    (CO2)2          4.685e-06   4.697e-06    -5.329    -5.328     0.001     68.87
-   CaCO3           1.060e-06   1.063e-06    -5.975    -5.974     0.001    -14.60
-   CO3-2           6.261e-07   4.125e-07    -6.203    -6.385    -0.181     -3.75
-Ca            2.502e-03
-   Ca+2            2.329e-03   1.534e-03    -2.633    -2.814    -0.181    -17.91
-   CaHCO3+         1.715e-04   1.548e-04    -3.766    -3.810    -0.045      9.73
-   CaCO3           1.060e-06   1.063e-06    -5.975    -5.974     0.001    -14.60
-   CaOH+           3.152e-10   2.829e-10    -9.501    -9.548    -0.047     (0)  
+   CaCO3           1.093e-06   1.096e-06    -5.961    -5.960     0.001    -14.60
+   CO3-2           6.288e-07   4.138e-07    -6.201    -6.383    -0.182     -3.64
+Ca            2.453e-03
+   Ca+2            2.398e-03   1.577e-03    -2.620    -2.802    -0.182    -17.91
+   CaHCO3+         5.338e-05   4.816e-05    -4.273    -4.317    -0.045    122.69
+   CaCO3           1.093e-06   1.096e-06    -5.961    -5.960     0.001    -14.60
+   CaOH+           3.247e-10   2.913e-10    -9.489    -9.536    -0.047     (0)  
 H(0)          5.469e-10
    H2              2.734e-10   2.741e-10    -9.563    -9.562     0.001     28.61
-N(-3)         3.952e-03
-   NH4+            3.949e-03   3.524e-03    -2.403    -2.453    -0.049     (0)  
-   NH3             2.228e-06   2.233e-06    -5.652    -5.651     0.001     (0)  
+N(-3)         3.947e-03
+   NH4+            3.945e-03   3.519e-03    -2.404    -2.454    -0.050     (0)  
+   NH3             2.228e-06   2.234e-06    -5.652    -5.651     0.001     (0)  
 N(0)          4.449e-05
-   N2              2.224e-05   2.230e-05    -4.653    -4.652     0.001     29.29
+   N2              2.225e-05   2.230e-05    -4.653    -4.652     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.583   -61.632    -0.049     25.04
+   NO2-            0.000e+00   0.000e+00   -61.583   -61.631    -0.049     25.04
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.742   -83.790    -0.049     29.56
+   NO3-            0.000e+00   0.000e+00   -83.741   -83.790    -0.049     29.56
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.258   -73.256     0.001     30.40
 
@@ -1522,8 +1523,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.86     -9.20   -8.34  CaCO3
-  Calcite          -0.72     -9.20   -8.48  CaCO3
+  Aragonite        -0.85     -9.19   -8.34  CaCO3
+  Calcite          -0.71     -9.19   -8.48  CaCO3
   CH4(g)           -0.25     -3.05   -2.80  CH4	 Pressure   0.6 atm, phi 0.998
   CO2(g)           -0.33     -1.80   -1.47  CO2	 Pressure   0.5 atm, phi 0.994
   H2(g)            -6.46     -9.56   -3.10  H2
@@ -1577,64 +1578,64 @@ N2(g)             -1.46   3.477e-02  1.001   0.000e+00   3.297e-02   3.297e-02
 
 	Elements           Molality       Moles
 
-	C                 2.614e-02   2.614e-02
-	Ca                2.501e-03   2.502e-03
-	N                 4.066e-03   4.067e-03
+	C                 2.603e-02   2.604e-02
+	Ca                2.452e-03   2.453e-03
+	N                 4.062e-03   4.063e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.042      Charge balance
-                                       pe  =  -2.834      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 613
-                          Density (g/cm³)  =   0.99773
-                               Volume (L)  =   1.00396
-                        Viscosity (mPa s)  =   0.89339
+                                       pH  =   6.043      Charge balance
+                                       pe  =  -2.835      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 610
+                          Density (g/cm³)  =   0.99772
+                               Volume (L)  =   1.00397
+                        Viscosity (mPa s)  =   0.89456
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   1.117e-02
+                 Ionic strength (mol/kgw)  =   1.126e-02
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   9.022e-03
-                       Total CO2 (mol/kg)  =   2.527e-02
+                 Total alkalinity (eq/kg)  =   8.920e-03
+                       Total CO2 (mol/kg)  =   2.517e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.10
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  24
                                   Total H  = 1.110669e+02
-                                  Total O  = 5.557876e+01
+                                  Total O  = 5.557851e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              9.978e-07   9.078e-07    -6.001    -6.042    -0.041      0.00
-   OH-             1.245e-08   1.114e-08    -7.905    -7.953    -0.048     -4.03
+   H+              9.966e-07   9.064e-07    -6.001    -6.043    -0.041      0.00
+   OH-             1.247e-08   1.116e-08    -7.904    -7.952    -0.048     -4.03
    H2O             5.551e+01   9.994e-01     1.744    -0.000     0.000     18.07
-C(-4)         8.677e-04
-   CH4             8.677e-04   8.699e-04    -3.062    -3.061     0.001     35.46
-C(4)          2.527e-02
+C(-4)         8.676e-04
+   CH4             8.676e-04   8.699e-04    -3.062    -3.061     0.001     35.46
+C(4)          2.517e-02
    CO2             1.624e-02   1.627e-02    -1.789    -1.789     0.001     34.43
-   HCO3-           8.845e-03   7.967e-03    -2.053    -2.099    -0.045     24.66
-   CaHCO3+         1.725e-04   1.556e-04    -3.763    -3.808    -0.045      9.73
+   HCO3-           8.862e-03   7.979e-03    -2.052    -2.098    -0.046     24.65
+   CaHCO3+         5.371e-05   4.845e-05    -4.270    -4.315    -0.045    122.69
    (CO2)2          4.845e-06   4.858e-06    -5.315    -5.314     0.001     68.87
-   CaCO3           1.056e-06   1.059e-06    -5.976    -5.975     0.001    -14.60
-   CO3-2           6.254e-07   4.116e-07    -6.204    -6.385    -0.182     -3.75
-Ca            2.501e-03
-   Ca+2            2.328e-03   1.531e-03    -2.633    -2.815    -0.182    -17.91
-   CaHCO3+         1.725e-04   1.556e-04    -3.763    -3.808    -0.045      9.73
-   CaCO3           1.056e-06   1.059e-06    -5.976    -5.975     0.001    -14.60
-   CaOH+           3.118e-10   2.797e-10    -9.506    -9.553    -0.047     (0)  
+   CaCO3           1.090e-06   1.092e-06    -5.963    -5.962     0.001    -14.60
+   CO3-2           6.281e-07   4.129e-07    -6.202    -6.384    -0.182     -3.64
+Ca            2.452e-03
+   Ca+2            2.397e-03   1.575e-03    -2.620    -2.803    -0.183    -17.91
+   CaHCO3+         5.371e-05   4.845e-05    -4.270    -4.315    -0.045    122.69
+   CaCO3           1.090e-06   1.092e-06    -5.963    -5.962     0.001    -14.60
+   CaOH+           3.213e-10   2.882e-10    -9.493    -9.540    -0.047     (0)  
 H(0)          5.423e-10
    H2              2.711e-10   2.718e-10    -9.567    -9.566     0.001     28.61
-N(-3)         4.020e-03
-   NH4+            4.018e-03   3.584e-03    -2.396    -2.446    -0.050     (0)  
+N(-3)         4.016e-03
+   NH4+            4.014e-03   3.579e-03    -2.396    -2.446    -0.050     (0)  
    NH3             2.244e-06   2.250e-06    -5.649    -5.648     0.001     (0)  
-N(0)          4.630e-05
+N(0)          4.631e-05
    N2              2.315e-05   2.321e-05    -4.635    -4.634     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.573   -61.622    -0.049     25.04
+   NO2-            0.000e+00   0.000e+00   -61.572   -61.621    -0.049     25.04
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.728   -83.777    -0.049     29.56
+   NO3-            0.000e+00   0.000e+00   -83.727   -83.776    -0.049     29.56
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.250   -73.249     0.001     30.40
 
@@ -1642,8 +1643,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.86     -9.20   -8.34  CaCO3
-  Calcite          -0.72     -9.20   -8.48  CaCO3
+  Aragonite        -0.85     -9.19   -8.34  CaCO3
+  Calcite          -0.71     -9.19   -8.48  CaCO3
   CH4(g)           -0.26     -3.06   -2.80  CH4	 Pressure   0.6 atm, phi 0.998
   CO2(g)           -0.32     -1.79   -1.47  CO2	 Pressure   0.5 atm, phi 0.994
   H2(g)            -6.46     -9.57   -3.10  H2
@@ -1708,7 +1709,7 @@ Total pressure:  0.06      atmospheres
                                             ----------------------------------
 Component                log P           P     Initial       Final       Delta
 
-CH4(g)                  -21.55   2.803e-22   2.657e-22   2.657e-22   0.000e+00
+CH4(g)                  -21.55   2.810e-22   2.664e-22   2.664e-22   0.000e+00
 CO2(g)                   -1.50   3.162e-02   2.997e-02   2.997e-02   0.000e+00
 H2O(g)                   -1.50   3.141e-02   2.977e-02   2.977e-02   0.000e+00
 N2(g)                   -99.99   0.000e+00   0.000e+00   0.000e+00   0.000e+00
@@ -1754,73 +1755,73 @@ Total pressure:  0.06      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -3.26   5.527e-04  1.000   2.657e-22   5.242e-04   5.242e-04
-CO2(g)            -1.49   3.208e-02  1.000   2.997e-02   3.042e-02   4.563e-04
-H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.336e-05
-N2(g)             -4.45   3.524e-05  1.000   0.000e+00   3.342e-05   3.342e-05
+CH4(g)            -3.26   5.527e-04  1.000   2.664e-22   5.242e-04   5.242e-04
+CO2(g)            -1.49   3.208e-02  1.000   2.997e-02   3.042e-02   4.562e-04
+H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.337e-05
+N2(g)             -4.45   3.523e-05  1.000   0.000e+00   3.341e-05   3.341e-05
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.089e-03   6.089e-03
-	Ca                2.502e-03   2.502e-03
-	N                 3.156e-06   3.156e-06
+	C                 5.992e-03   5.992e-03
+	Ca                2.453e-03   2.453e-03
+	N                 3.171e-06   3.171e-06
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.965      Charge balance
-                                       pe  =  -3.529      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 453
-                          Density (g/cm³)  =   0.99734
+                                       pH  =   6.963      Charge balance
+                                       pe  =  -3.527      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 457
+                          Density (g/cm³)  =   0.99733
                                Volume (L)  =   1.00308
-                        Viscosity (mPa s)  =   0.89255
+                        Viscosity (mPa s)  =   0.89304
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.285e-03
+                 Ionic strength (mol/kgw)  =   7.284e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.007e-03
-                       Total CO2 (mol/kg)  =   6.089e-03
+                 Total alkalinity (eq/kg)  =   4.909e-03
+                       Total CO2 (mol/kg)  =   5.991e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.06
-                  Electrical balance (eq)  =  -1.217e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  25
                                   Total H  = 1.110125e+02
-                                  Total O  = 5.552090e+01
+                                  Total O  = 5.552066e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.174e-07   1.084e-07    -6.930    -6.965    -0.035      0.00
-   OH-             1.023e-07   9.337e-08    -6.990    -7.030    -0.040     -4.05
+   H+              1.180e-07   1.089e-07    -6.928    -6.963    -0.035      0.00
+   OH-             1.018e-07   9.291e-08    -6.992    -7.032    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         8.710e-07
    CH4             8.710e-07   8.724e-07    -6.060    -6.059     0.001     35.45
-C(4)          6.089e-03
-   HCO3-           4.885e-03   4.478e-03    -2.311    -2.349    -0.038     24.63
+C(4)          5.991e-03
+   HCO3-           4.861e-03   4.455e-03    -2.313    -2.351    -0.038     24.63
    CO2             1.090e-03   1.091e-03    -2.963    -2.962     0.000     34.43
-   CaHCO3+         1.050e-04   9.638e-05    -3.979    -4.016    -0.037      9.71
+   CaHCO3+         3.191e-05   2.929e-05    -4.496    -4.533    -0.037    122.68
    CaCO3           5.482e-06   5.491e-06    -5.261    -5.260     0.001    -14.61
-   CO3-2           2.745e-06   1.938e-06    -5.562    -5.713    -0.151     -3.85
+   CO3-2           2.717e-06   1.918e-06    -5.566    -5.717    -0.151     -3.73
    (CO2)2          2.182e-08   2.186e-08    -7.661    -7.660     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.687e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.050e-04   9.638e-05    -3.979    -4.016    -0.037      9.71
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.704e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.191e-05   2.929e-05    -4.496    -4.533    -0.037    122.68
    CaCO3           5.482e-06   5.491e-06    -5.261    -5.260     0.001    -14.61
-   CaOH+           2.825e-09   2.583e-09    -8.549    -8.588    -0.039     (0)  
+   CaOH+           2.840e-09   2.596e-09    -8.547    -8.586    -0.039     (0)  
 H(0)          1.898e-10
    H2              9.492e-11   9.508e-11   -10.023   -10.022     0.001     28.61
-N(-3)         3.109e-06
-   NH4+            3.094e-06   2.817e-06    -5.509    -5.550    -0.041     (0)  
+N(-3)         3.124e-06
+   NH4+            3.109e-06   2.831e-06    -5.507    -5.548    -0.041     (0)  
    NH3             1.479e-08   1.481e-08    -7.830    -7.829     0.001     (0)  
-N(0)          4.697e-08
+N(0)          4.695e-08
    N2              2.348e-08   2.352e-08    -7.629    -7.629     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.471   -61.511    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.474   -61.514    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.169   -83.210    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.172   -83.212    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.337   -72.336     0.001     30.40
 
@@ -1874,73 +1875,73 @@ Total pressure:  0.07      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -2.96   1.106e-03  1.000   2.657e-22   1.049e-03   1.049e-03
+CH4(g)            -2.96   1.106e-03  1.000   2.664e-22   1.049e-03   1.049e-03
 CO2(g)            -1.49   3.256e-02  1.000   2.997e-02   3.088e-02   9.119e-04
 H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.366e-05
-N2(g)             -4.15   7.072e-05  1.000   0.000e+00   6.707e-05   6.707e-05
+N2(g)             -4.15   7.071e-05  1.000   0.000e+00   6.706e-05   6.706e-05
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.109e-03   6.109e-03
-	Ca                2.502e-03   2.502e-03
-	N                 5.856e-06   5.855e-06
+	C                 6.012e-03   6.012e-03
+	Ca                2.453e-03   2.453e-03
+	N                 5.884e-06   5.883e-06
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.959      Charge balance
-                                       pe  =  -3.560      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 453
-                          Density (g/cm³)  =   0.99734
+                                       pH  =   6.957      Charge balance
+                                       pe  =  -3.558      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 457
+                          Density (g/cm³)  =   0.99733
                                Volume (L)  =   1.00308
-                        Viscosity (mPa s)  =   0.89255
+                        Viscosity (mPa s)  =   0.89304
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   7.287e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.009e-03
-                       Total CO2 (mol/kg)  =   6.108e-03
+                 Total alkalinity (eq/kg)  =   4.912e-03
+                       Total CO2 (mol/kg)  =   6.010e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.07
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  30
+                               Iterations  =  25
                                   Total H  = 1.110126e+02
-                                  Total O  = 5.552099e+01
+                                  Total O  = 5.552075e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.191e-07   1.099e-07    -6.924    -6.959    -0.035      0.00
-   OH-             1.008e-07   9.205e-08    -6.996    -7.036    -0.040     -4.05
+   H+              1.197e-07   1.105e-07    -6.922    -6.957    -0.035      0.00
+   OH-             1.003e-07   9.159e-08    -6.999    -7.038    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.742e-06
    CH4             1.742e-06   1.745e-06    -5.759    -5.758     0.001     35.45
-C(4)          6.108e-03
-   HCO3-           4.888e-03   4.480e-03    -2.311    -2.349    -0.038     24.63
+C(4)          6.010e-03
+   HCO3-           4.864e-03   4.458e-03    -2.313    -2.351    -0.038     24.63
    CO2             1.106e-03   1.108e-03    -2.956    -2.956     0.000     34.43
-   CaHCO3+         1.051e-04   9.643e-05    -3.979    -4.016    -0.037      9.71
+   CaHCO3+         3.193e-05   2.930e-05    -4.496    -4.533    -0.037    122.68
    CaCO3           5.407e-06   5.416e-06    -5.267    -5.266     0.001    -14.61
-   CO3-2           2.707e-06   1.911e-06    -5.567    -5.719    -0.151     -3.85
+   CO3-2           2.680e-06   1.892e-06    -5.572    -5.723    -0.151     -3.73
    (CO2)2          2.248e-08   2.252e-08    -7.648    -7.647     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.687e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.051e-04   9.643e-05    -3.979    -4.016    -0.037      9.71
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.704e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.193e-05   2.930e-05    -4.496    -4.533    -0.037    122.68
    CaCO3           5.407e-06   5.416e-06    -5.267    -5.266     0.001    -14.61
-   CaOH+           2.785e-09   2.546e-09    -8.555    -8.594    -0.039     (0)  
+   CaOH+           2.799e-09   2.559e-09    -8.553    -8.592    -0.039     (0)  
 H(0)          2.249e-10
    H2              1.125e-10   1.127e-10    -9.949    -9.948     0.001     28.61
-N(-3)         5.761e-06
-   NH4+            5.734e-06   5.221e-06    -5.242    -5.282    -0.041     (0)  
+N(-3)         5.790e-06
+   NH4+            5.762e-06   5.247e-06    -5.239    -5.280    -0.041     (0)  
    NH3             2.702e-08   2.706e-08    -7.568    -7.568     0.001     (0)  
-N(0)          9.425e-08
-   N2              4.713e-08   4.720e-08    -7.327    -7.326     0.001     29.29
+N(0)          9.423e-08
+   N2              4.712e-08   4.719e-08    -7.327    -7.326     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.437   -61.477    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.439   -61.479    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.209   -83.249    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.211   -83.251    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.484   -72.484     0.001     30.40
 
@@ -1994,73 +1995,73 @@ Total pressure:  0.07      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -2.78   1.659e-03  1.000   2.657e-22   1.573e-03   1.573e-03
+CH4(g)            -2.78   1.659e-03  1.000   2.664e-22   1.573e-03   1.573e-03
 CO2(g)            -1.48   3.304e-02  1.000   2.997e-02   3.134e-02   1.368e-03
 H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.396e-05
-N2(g)             -3.97   1.063e-04  1.000   0.000e+00   1.008e-04   1.008e-04
+N2(g)             -3.97   1.062e-04  1.000   0.000e+00   1.008e-04   1.008e-04
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.129e-03   6.129e-03
-	Ca                2.502e-03   2.502e-03
-	N                 8.435e-06   8.434e-06
+	C                 6.032e-03   6.031e-03
+	Ca                2.453e-03   2.453e-03
+	N                 8.475e-06   8.475e-06
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.953      Charge balance
-                                       pe  =  -3.575      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 453
-                          Density (g/cm³)  =   0.99734
+                                       pH  =   6.951      Charge balance
+                                       pe  =  -3.573      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 457
+                          Density (g/cm³)  =   0.99733
                                Volume (L)  =   1.00308
-                        Viscosity (mPa s)  =   0.89255
+                        Viscosity (mPa s)  =   0.89304
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   7.290e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.012e-03
-                       Total CO2 (mol/kg)  =   6.127e-03
+                 Total alkalinity (eq/kg)  =   4.914e-03
+                       Total CO2 (mol/kg)  =   6.029e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.07
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  29
+                               Iterations  =  28
                                   Total H  = 1.110127e+02
-                                  Total O  = 5.552108e+01
+                                  Total O  = 5.552083e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.208e-07   1.115e-07    -6.918    -6.953    -0.035      0.00
-   OH-             9.944e-08   9.076e-08    -7.002    -7.042    -0.040     -4.05
+   H+              1.214e-07   1.121e-07    -6.916    -6.951    -0.035      0.00
+   OH-             9.894e-08   9.031e-08    -7.005    -7.044    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         2.613e-06
    CH4             2.613e-06   2.618e-06    -5.583    -5.582     0.001     35.45
-C(4)          6.127e-03
-   HCO3-           4.891e-03   4.483e-03    -2.311    -2.348    -0.038     24.63
+C(4)          6.029e-03
+   HCO3-           4.866e-03   4.460e-03    -2.313    -2.351    -0.038     24.63
    CO2             1.123e-03   1.124e-03    -2.950    -2.949     0.000     34.43
-   CaHCO3+         1.051e-04   9.647e-05    -3.978    -4.016    -0.037      9.71
-   CaCO3           5.334e-06   5.342e-06    -5.273    -5.272     0.001    -14.61
-   CO3-2           2.671e-06   1.885e-06    -5.573    -5.725    -0.151     -3.85
+   CaHCO3+         3.194e-05   2.932e-05    -4.496    -4.533    -0.037    122.68
+   CaCO3           5.334e-06   5.343e-06    -5.273    -5.272     0.001    -14.61
+   CO3-2           2.644e-06   1.867e-06    -5.578    -5.729    -0.151     -3.73
    (CO2)2          2.315e-08   2.319e-08    -7.635    -7.635     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.687e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.051e-04   9.647e-05    -3.978    -4.016    -0.037      9.71
-   CaCO3           5.334e-06   5.342e-06    -5.273    -5.272     0.001    -14.61
-   CaOH+           2.746e-09   2.510e-09    -8.561    -8.600    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.704e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.194e-05   2.932e-05    -4.496    -4.533    -0.037    122.68
+   CaCO3           5.334e-06   5.343e-06    -5.273    -5.272     0.001    -14.61
+   CaOH+           2.760e-09   2.523e-09    -8.559    -8.598    -0.039     (0)  
 H(0)          2.480e-10
    H2              1.240e-10   1.242e-10    -9.907    -9.906     0.001     28.61
-N(-3)         8.293e-06
-   NH4+            8.255e-06   7.516e-06    -5.083    -5.124    -0.041     (0)  
+N(-3)         8.333e-06
+   NH4+            8.295e-06   7.553e-06    -5.081    -5.122    -0.041     (0)  
    NH3             3.835e-08   3.841e-08    -7.416    -7.416     0.001     (0)  
 N(0)          1.416e-07
-   N2              7.081e-08   7.093e-08    -7.150    -7.149     0.001     29.29
+   N2              7.080e-08   7.092e-08    -7.150    -7.149     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.418   -61.458    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.420   -61.461    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.232   -83.273    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.235   -83.275    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.569   -72.569     0.001     30.40
 
@@ -2114,7 +2115,7 @@ Total pressure:  0.07      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -2.66   2.212e-03  1.000   2.657e-22   2.097e-03   2.097e-03
+CH4(g)            -2.66   2.212e-03  1.000   2.664e-22   2.097e-03   2.097e-03
 CO2(g)            -1.47   3.352e-02  1.000   2.997e-02   3.179e-02   1.823e-03
 H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.426e-05
 N2(g)             -3.85   1.418e-04  1.000   0.000e+00   1.345e-04   1.345e-04
@@ -2123,64 +2124,64 @@ N2(g)             -3.85   1.418e-04  1.000   0.000e+00   1.345e-04   1.345e-04
 
 	Elements           Molality       Moles
 
-	C                 6.149e-03   6.149e-03
-	Ca                2.502e-03   2.502e-03
-	N                 1.095e-05   1.095e-05
+	C                 6.051e-03   6.051e-03
+	Ca                2.453e-03   2.453e-03
+	N                 1.100e-05   1.100e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.947      Charge balance
-                                       pe  =  -3.584      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 453
-                          Density (g/cm³)  =   0.99734
-                               Volume (L)  =   1.00308
-                        Viscosity (mPa s)  =   0.89255
+                                       pH  =   6.944      Charge balance
+                                       pe  =  -3.581      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 458
+                          Density (g/cm³)  =   0.99733
+                               Volume (L)  =   1.00309
+                        Viscosity (mPa s)  =   0.89304
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   7.293e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.014e-03
-                       Total CO2 (mol/kg)  =   6.145e-03
+                 Total alkalinity (eq/kg)  =   4.917e-03
+                       Total CO2 (mol/kg)  =   6.048e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.07
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  30
+                               Iterations  =  28
                                   Total H  = 1.110128e+02
-                                  Total O  = 5.552117e+01
+                                  Total O  = 5.552092e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.225e-07   1.131e-07    -6.912    -6.947    -0.035      0.00
-   OH-             9.806e-08   8.951e-08    -7.008    -7.048    -0.040     -4.05
+   H+              1.231e-07   1.136e-07    -6.910    -6.944    -0.035      0.00
+   OH-             9.758e-08   8.906e-08    -7.011    -7.050    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         3.485e-06
    CH4             3.485e-06   3.491e-06    -5.458    -5.457     0.001     35.45
-C(4)          6.145e-03
-   HCO3-           4.893e-03   4.485e-03    -2.310    -2.348    -0.038     24.63
+C(4)          6.048e-03
+   HCO3-           4.869e-03   4.463e-03    -2.313    -2.350    -0.038     24.63
    CO2             1.139e-03   1.140e-03    -2.943    -2.943     0.000     34.43
-   CaHCO3+         1.052e-04   9.652e-05    -3.978    -4.015    -0.037      9.71
-   CaCO3           5.262e-06   5.271e-06    -5.279    -5.278     0.001    -14.61
-   CO3-2           2.636e-06   1.860e-06    -5.579    -5.730    -0.151     -3.85
+   CaHCO3+         3.196e-05   2.933e-05    -4.495    -4.533    -0.037    122.68
+   CaCO3           5.263e-06   5.272e-06    -5.279    -5.278     0.001    -14.61
+   CO3-2           2.609e-06   1.842e-06    -5.583    -5.735    -0.151     -3.73
    (CO2)2          2.383e-08   2.387e-08    -7.623    -7.622     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.687e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.052e-04   9.652e-05    -3.978    -4.015    -0.037      9.71
-   CaCO3           5.262e-06   5.271e-06    -5.279    -5.278     0.001    -14.61
-   CaOH+           2.708e-09   2.475e-09    -8.567    -8.606    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.704e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.196e-05   2.933e-05    -4.495    -4.533    -0.037    122.68
+   CaCO3           5.263e-06   5.272e-06    -5.279    -5.278     0.001    -14.61
+   CaOH+           2.722e-09   2.488e-09    -8.565    -8.604    -0.039     (0)  
 H(0)          2.656e-10
    H2              1.328e-10   1.330e-10    -9.877    -9.876     0.001     28.61
-N(-3)         1.076e-05
-   NH4+            1.071e-05   9.756e-06    -4.970    -5.011    -0.041     (0)  
-   NH3             4.909e-08   4.917e-08    -7.309    -7.308     0.001     (0)  
+N(-3)         1.082e-05
+   NH4+            1.077e-05   9.803e-06    -4.968    -5.009    -0.041     (0)  
+   NH3             4.908e-08   4.916e-08    -7.309    -7.308     0.001     (0)  
 N(0)          1.890e-07
-   N2              9.452e-08   9.468e-08    -7.024    -7.024     0.001     29.29
+   N2              9.450e-08   9.466e-08    -7.025    -7.024     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.406   -61.446    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.408   -61.448    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.250   -83.290    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.252   -83.292    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.629   -72.628     0.001     30.40
 
@@ -2234,73 +2235,73 @@ Total pressure:  0.07      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -2.35   4.424e-03  1.000   2.657e-22   4.195e-03   4.195e-03
+CH4(g)            -2.35   4.424e-03  1.000   2.664e-22   4.195e-03   4.195e-03
 CO2(g)            -1.45   3.544e-02  1.000   2.997e-02   3.361e-02   3.647e-03
 H2O(g)            -1.50   3.144e-02  0.999   2.977e-02   2.982e-02   4.546e-05
-N2(g)             -3.55   2.843e-04  1.000   0.000e+00   2.696e-04   2.696e-04
+N2(g)             -3.55   2.842e-04  1.000   0.000e+00   2.696e-04   2.696e-04
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.228e-03   6.228e-03
-	Ca                2.502e-03   2.502e-03
-	N                 2.079e-05   2.079e-05
+	C                 6.130e-03   6.130e-03
+	Ca                2.453e-03   2.453e-03
+	N                 2.089e-05   2.089e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.923      Charge balance
-                                       pe  =  -3.595      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 454
-                          Density (g/cm³)  =   0.99734
+                                       pH  =   6.921      Charge balance
+                                       pe  =  -3.593      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 458
+                          Density (g/cm³)  =   0.99733
                                Volume (L)  =   1.00309
-                        Viscosity (mPa s)  =   0.89255
+                        Viscosity (mPa s)  =   0.89304
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.302e-03
+                 Ionic strength (mol/kgw)  =   7.303e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.024e-03
-                       Total CO2 (mol/kg)  =   6.221e-03
+                 Total alkalinity (eq/kg)  =   4.926e-03
+                       Total CO2 (mol/kg)  =   6.123e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.07
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  29
+                               Iterations  =  28
                                   Total H  = 1.110132e+02
-                                  Total O  = 5.552152e+01
+                                  Total O  = 5.552127e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.293e-07   1.193e-07    -6.889    -6.923    -0.035      0.00
-   OH-             9.294e-08   8.483e-08    -7.032    -7.071    -0.040     -4.05
+   H+              1.299e-07   1.199e-07    -6.886    -6.921    -0.035      0.00
+   OH-             9.248e-08   8.441e-08    -7.034    -7.074    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         6.970e-06
    CH4             6.970e-06   6.982e-06    -5.157    -5.156     0.001     35.45
-C(4)          6.221e-03
-   HCO3-           4.903e-03   4.494e-03    -2.309    -2.347    -0.038     24.63
+C(4)          6.123e-03
+   HCO3-           4.879e-03   4.472e-03    -2.312    -2.349    -0.038     24.63
    CO2             1.204e-03   1.206e-03    -2.919    -2.919     0.000     34.43
-   CaHCO3+         1.054e-04   9.670e-05    -3.977    -4.015    -0.037      9.71
-   CaCO3           4.996e-06   5.005e-06    -5.301    -5.301     0.001    -14.61
-   CO3-2           2.503e-06   1.767e-06    -5.601    -5.753    -0.151     -3.85
+   CaHCO3+         3.202e-05   2.939e-05    -4.495    -4.532    -0.037    122.68
+   CaCO3           4.998e-06   5.006e-06    -5.301    -5.300     0.001    -14.61
+   CO3-2           2.479e-06   1.749e-06    -5.606    -5.757    -0.151     -3.73
    (CO2)2          2.664e-08   2.668e-08    -7.574    -7.574     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.686e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.054e-04   9.670e-05    -3.977    -4.015    -0.037      9.71
-   CaCO3           4.996e-06   5.005e-06    -5.301    -5.301     0.001    -14.61
-   CaOH+           2.566e-09   2.346e-09    -8.591    -8.630    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.704e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.202e-05   2.939e-05    -4.495    -4.532    -0.037    122.68
+   CaCO3           4.998e-06   5.006e-06    -5.301    -5.300     0.001    -14.61
+   CaOH+           2.580e-09   2.358e-09    -8.588    -8.627    -0.039     (0)  
 H(0)          3.114e-10
    H2              1.557e-10   1.560e-10    -9.808    -9.807     0.001     28.61
-N(-3)         2.042e-05
-   NH4+            2.033e-05   1.851e-05    -4.692    -4.733    -0.041     (0)  
-   NH3             8.826e-08   8.841e-08    -7.054    -7.054     0.001     (0)  
+N(-3)         2.051e-05
+   NH4+            2.043e-05   1.860e-05    -4.690    -4.731    -0.041     (0)  
+   NH3             8.825e-08   8.840e-08    -7.054    -7.054     0.001     (0)  
 N(0)          3.788e-07
    N2              1.894e-07   1.897e-07    -6.723    -6.722     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.382   -61.422    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.384   -61.425    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.295   -83.335    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.297   -83.338    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.767   -72.766     0.001     30.40
 
@@ -2354,73 +2355,73 @@ Total pressure:  0.08      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -2.05   8.848e-03  1.000   2.657e-22   8.391e-03   8.391e-03
+CH4(g)            -2.05   8.848e-03  1.000   2.664e-22   8.391e-03   8.391e-03
 CO2(g)            -1.41   3.929e-02  1.000   2.997e-02   3.726e-02   7.293e-03
 H2O(g)            -1.50   3.145e-02  0.999   2.977e-02   2.982e-02   4.786e-05
-N2(g)             -3.24   5.691e-04  1.000   0.000e+00   5.397e-04   5.397e-04
+N2(g)             -3.24   5.690e-04  1.000   0.000e+00   5.396e-04   5.396e-04
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 6.385e-03   6.385e-03
-	Ca                2.502e-03   2.502e-03
-	N                 4.054e-05   4.053e-05
+	C                 6.288e-03   6.288e-03
+	Ca                2.453e-03   2.453e-03
+	N                 4.072e-05   4.072e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.880      Charge balance
-                                       pe  =  -3.584      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 455
-                          Density (g/cm³)  =   0.99734
+                                       pH  =   6.878      Charge balance
+                                       pe  =  -3.582      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 459
+                          Density (g/cm³)  =   0.99733
                                Volume (L)  =   1.00310
-                        Viscosity (mPa s)  =   0.89256
+                        Viscosity (mPa s)  =   0.89305
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.322e-03
+                 Ionic strength (mol/kgw)  =   7.323e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.043e-03
-                       Total CO2 (mol/kg)  =   6.371e-03
+                 Total alkalinity (eq/kg)  =   4.946e-03
+                       Total CO2 (mol/kg)  =   6.274e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.08
                   Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                                Iterations  =  26
                                   Total H  = 1.110141e+02
-                                  Total O  = 5.552222e+01
+                                  Total O  = 5.552198e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.427e-07   1.317e-07    -6.846    -6.880    -0.035      0.00
-   OH-             8.420e-08   7.684e-08    -7.075    -7.114    -0.040     -4.05
+   H+              1.434e-07   1.323e-07    -6.843    -6.878    -0.035      0.00
+   OH-             8.379e-08   7.647e-08    -7.077    -7.117    -0.040     -4.05
    H2O             5.551e+01   9.999e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.394e-05
    CH4             1.394e-05   1.396e-05    -4.856    -4.855     0.001     35.45
-C(4)          6.371e-03
-   HCO3-           4.924e-03   4.512e-03    -2.308    -2.346    -0.038     24.63
+C(4)          6.274e-03
+   HCO3-           4.900e-03   4.490e-03    -2.310    -2.348    -0.038     24.63
    CO2             1.335e-03   1.336e-03    -2.875    -2.874     0.000     34.43
-   CaHCO3+         1.058e-04   9.705e-05    -3.976    -4.013    -0.037      9.71
-   CaCO3           4.542e-06   4.550e-06    -5.343    -5.342     0.001    -14.61
-   CO3-2           2.278e-06   1.607e-06    -5.642    -5.794    -0.152     -3.85
+   CaHCO3+         3.215e-05   2.950e-05    -4.493    -4.530    -0.037    122.68
+   CaCO3           4.545e-06   4.553e-06    -5.342    -5.342     0.001    -14.61
+   CO3-2           2.256e-06   1.591e-06    -5.647    -5.798    -0.152     -3.73
    (CO2)2          3.273e-08   3.278e-08    -7.485    -7.484     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.686e-03    -2.621    -2.773    -0.152    -17.98
-   CaHCO3+         1.058e-04   9.705e-05    -3.976    -4.013    -0.037      9.71
-   CaCO3           4.542e-06   4.550e-06    -5.343    -5.342     0.001    -14.61
-   CaOH+           2.324e-09   2.124e-09    -8.634    -8.673    -0.039     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.703e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.215e-05   2.950e-05    -4.493    -4.530    -0.037    122.68
+   CaCO3           4.545e-06   4.553e-06    -5.342    -5.342     0.001    -14.61
+   CaOH+           2.337e-09   2.135e-09    -8.631    -8.671    -0.039     (0)  
 H(0)          3.610e-10
    H2              1.805e-10   1.808e-10    -9.744    -9.743     0.001     28.61
-N(-3)         3.978e-05
-   NH4+            3.962e-05   3.607e-05    -4.402    -4.443    -0.041     (0)  
+N(-3)         3.997e-05
+   NH4+            3.981e-05   3.624e-05    -4.400    -4.441    -0.041     (0)  
    NH3             1.558e-07   1.561e-07    -6.807    -6.807     0.001     (0)  
-N(0)          7.584e-07
-   N2              3.792e-07   3.798e-07    -6.421    -6.420     0.001     29.29
+N(0)          7.583e-07
+   N2              3.791e-07   3.798e-07    -6.421    -6.420     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.370   -61.411    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.373   -61.413    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.348   -83.388    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.350   -83.390    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -72.895   -72.894     0.001     30.40
 
@@ -2430,7 +2431,7 @@ O(0)          0.000e+00
 
   Aragonite        -0.23     -8.57   -8.34  CaCO3
   Calcite          -0.09     -8.57   -8.48  CaCO3
-  CH4(g)           -2.05     -4.85   -2.80  CH4	 Pressure   0.0 atm, phi 1.000
+  CH4(g)           -2.05     -4.86   -2.80  CH4	 Pressure   0.0 atm, phi 1.000
   CO2(g)           -1.41     -2.87   -1.47  CO2	 Pressure   0.0 atm, phi 1.000
   H2(g)            -6.64     -9.74   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O	 Pressure   0.0 atm, phi 0.999
@@ -2474,7 +2475,7 @@ Total pressure:  0.10      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -1.75   1.769e-02  1.000   2.657e-22   1.678e-02   1.678e-02
+CH4(g)            -1.75   1.769e-02  1.000   2.664e-22   1.678e-02   1.678e-02
 CO2(g)            -1.33   4.698e-02  0.999   2.997e-02   4.455e-02   1.459e-02
 H2O(g)            -1.50   3.145e-02  0.999   2.977e-02   2.983e-02   5.266e-05
 N2(g)             -2.94   1.137e-03  1.000   0.000e+00   1.079e-03   1.079e-03
@@ -2483,64 +2484,64 @@ N2(g)             -2.94   1.137e-03  1.000   0.000e+00   1.079e-03   1.079e-03
 
 	Elements           Molality       Moles
 
-	C                 6.702e-03   6.702e-03
-	Ca                2.502e-03   2.502e-03
-	N                 8.235e-05   8.234e-05
+	C                 6.605e-03   6.605e-03
+	Ca                2.453e-03   2.453e-03
+	N                 8.272e-05   8.272e-05
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.806      Charge balance
-                                       pe  =  -3.538      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 456
-                          Density (g/cm³)  =   0.99735
-                               Volume (L)  =   1.00312
-                        Viscosity (mPa s)  =   0.89257
+                                       pH  =   6.804      Charge balance
+                                       pe  =  -3.536      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 460
+                          Density (g/cm³)  =   0.99734
+                               Volume (L)  =   1.00313
+                        Viscosity (mPa s)  =   0.89307
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.363e-03
+                 Ionic strength (mol/kgw)  =   7.365e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.084e-03
-                       Total CO2 (mol/kg)  =   6.674e-03
+                 Total alkalinity (eq/kg)  =   4.987e-03
+                       Total CO2 (mol/kg)  =   6.577e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.10
-                  Electrical balance (eq)  =  -1.217e-09
+                  Electrical balance (eq)  =  -1.216e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  26
+                               Iterations  =  27
                                   Total H  = 1.110159e+02
-                                  Total O  = 5.552363e+01
+                                  Total O  = 5.552339e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.692e-07   1.562e-07    -6.772    -6.806    -0.035      0.00
-   OH-             7.103e-08   6.481e-08    -7.149    -7.188    -0.040     -4.05
+   H+              1.700e-07   1.569e-07    -6.770    -6.804    -0.035      0.00
+   OH-             7.070e-08   6.451e-08    -7.151    -7.190    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         2.788e-05
    CH4             2.788e-05   2.792e-05    -4.555    -4.554     0.001     35.45
-C(4)          6.674e-03
-   HCO3-           4.966e-03   4.550e-03    -2.304    -2.342    -0.038     24.63
+C(4)          6.577e-03
+   HCO3-           4.943e-03   4.529e-03    -2.306    -2.344    -0.038     24.63
    CO2             1.596e-03   1.598e-03    -2.797    -2.797     0.000     34.43
-   CaHCO3+         1.066e-04   9.777e-05    -3.972    -4.010    -0.037      9.71
-   CaCO3           3.860e-06   3.866e-06    -5.413    -5.413     0.001    -14.61
-   CO3-2           1.939e-06   1.366e-06    -5.712    -5.864    -0.152     -3.85
-   (CO2)2          4.678e-08   4.685e-08    -7.330    -7.329     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.391e-03   1.684e-03    -2.621    -2.774    -0.152    -17.98
-   CaHCO3+         1.066e-04   9.777e-05    -3.972    -4.010    -0.037      9.71
-   CaCO3           3.860e-06   3.866e-06    -5.413    -5.413     0.001    -14.61
-   CaOH+           1.959e-09   1.790e-09    -8.708    -8.747    -0.039     (0)  
+   CaHCO3+         3.241e-05   2.973e-05    -4.489    -4.527    -0.037    122.68
+   CaCO3           3.864e-06   3.871e-06    -5.413    -5.412     0.001    -14.61
+   CO3-2           1.921e-06   1.354e-06    -5.716    -5.868    -0.152     -3.73
+   (CO2)2          4.677e-08   4.685e-08    -7.330    -7.329     0.001     68.87
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.702e-03    -2.617    -2.769    -0.152    -17.98
+   CaHCO3+         3.241e-05   2.973e-05    -4.489    -4.527    -0.037    122.68
+   CaCO3           3.864e-06   3.871e-06    -5.413    -5.412     0.001    -14.61
+   CaOH+           1.970e-09   1.800e-09    -8.706    -8.745    -0.039     (0)  
 H(0)          4.105e-10
    H2              2.052e-10   2.056e-10    -9.688    -9.687     0.001     28.61
-N(-3)         8.083e-05
-   NH4+            8.056e-05   7.332e-05    -4.094    -4.135    -0.041     (0)  
+N(-3)         8.120e-05
+   NH4+            8.093e-05   7.366e-05    -4.092    -4.133    -0.041     (0)  
    NH3             2.671e-07   2.676e-07    -6.573    -6.573     0.001     (0)  
 N(0)          1.516e-06
-   N2              7.579e-07   7.592e-07    -6.120    -6.120     0.001     29.29
+   N2              7.578e-07   7.591e-07    -6.120    -6.120     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.378   -61.418    -0.040     25.02
+   NO2-            0.000e+00   0.000e+00   -61.380   -61.420    -0.040     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.411   -83.451    -0.040     29.54
+   NO3-            0.000e+00   0.000e+00   -83.413   -83.453    -0.040     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.007   -73.006     0.001     30.40
 
@@ -2594,73 +2595,73 @@ Total pressure:  0.13      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -1.45   3.538e-02  1.000   2.657e-22   3.356e-02   3.356e-02
-CO2(g)            -1.21   6.234e-02  0.999   2.997e-02   5.913e-02   2.917e-02
+CH4(g)            -1.45   3.538e-02  1.000   2.664e-22   3.356e-02   3.356e-02
+CO2(g)            -1.21   6.234e-02  0.999   2.997e-02   5.913e-02   2.916e-02
 H2O(g)            -1.50   3.146e-02  0.999   2.977e-02   2.984e-02   6.224e-05
-N2(g)             -2.64   2.269e-03  1.000   0.000e+00   2.152e-03   2.152e-03
+N2(g)             -2.64   2.268e-03  1.000   0.000e+00   2.151e-03   2.151e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 7.345e-03   7.345e-03
-	Ca                2.502e-03   2.502e-03
-	N                 1.764e-04   1.764e-04
+	C                 7.248e-03   7.248e-03
+	Ca                2.453e-03   2.453e-03
+	N                 1.772e-04   1.772e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.692      Charge balance
-                                       pe  =  -3.445      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 460
-                          Density (g/cm³)  =   0.99736
+                                       pH  =   6.690      Charge balance
+                                       pe  =  -3.443      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 464
+                          Density (g/cm³)  =   0.99735
                                Volume (L)  =   1.00317
-                        Viscosity (mPa s)  =   0.89259
+                        Viscosity (mPa s)  =   0.89310
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.454e-03
+                 Ionic strength (mol/kgw)  =   7.459e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.177e-03
-                       Total CO2 (mol/kg)  =   7.290e-03
+                 Total alkalinity (eq/kg)  =   5.080e-03
+                       Total CO2 (mol/kg)  =   7.193e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.13
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  28
+                               Iterations  =  24
                                   Total H  = 1.110195e+02
-                                  Total O  = 5.552647e+01
+                                  Total O  = 5.552622e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              2.206e-07   2.035e-07    -6.656    -6.692    -0.035      0.00
-   OH-             5.454e-08   4.974e-08    -7.263    -7.303    -0.040     -4.05
+   H+              2.215e-07   2.043e-07    -6.655    -6.690    -0.035      0.00
+   OH-             5.431e-08   4.952e-08    -7.265    -7.305    -0.040     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         5.573e-05
    CH4             5.573e-05   5.583e-05    -4.254    -4.253     0.001     35.45
-C(4)          7.290e-03
-   HCO3-           5.059e-03   4.633e-03    -2.296    -2.334    -0.038     24.63
+C(4)          7.193e-03
+   HCO3-           5.037e-03   4.613e-03    -2.298    -2.336    -0.038     24.63
    CO2             2.117e-03   2.120e-03    -2.674    -2.674     0.000     34.43
-   CaHCO3+         1.083e-04   9.933e-05    -3.965    -4.003    -0.038      9.71
-   CaCO3           3.009e-06   3.015e-06    -5.522    -5.521     0.001    -14.61
-   CO3-2           1.518e-06   1.068e-06    -5.819    -5.971    -0.153     -3.85
-   (CO2)2          8.234e-08   8.249e-08    -7.084    -7.084     0.001     68.87
-Ca            2.502e-03
-   Ca+2            2.390e-03   1.680e-03    -2.622    -2.775    -0.153    -17.97
-   CaHCO3+         1.083e-04   9.933e-05    -3.965    -4.003    -0.038      9.71
-   CaCO3           3.009e-06   3.015e-06    -5.522    -5.521     0.001    -14.61
-   CaOH+           1.501e-09   1.370e-09    -8.824    -8.863    -0.039     (0)  
+   CaHCO3+         3.297e-05   3.023e-05    -4.482    -4.520    -0.038    122.68
+   CaCO3           3.016e-06   3.022e-06    -5.521    -5.520     0.001    -14.61
+   CO3-2           1.505e-06   1.059e-06    -5.822    -5.975    -0.153     -3.73
+   (CO2)2          8.234e-08   8.248e-08    -7.084    -7.084     0.001     68.87
+Ca            2.453e-03
+   Ca+2            2.417e-03   1.699e-03    -2.617    -2.770    -0.153    -17.97
+   CaHCO3+         3.297e-05   3.023e-05    -4.482    -4.520    -0.038    122.68
+   CaCO3           3.016e-06   3.022e-06    -5.521    -5.520     0.001    -14.61
+   CaOH+           1.511e-09   1.380e-09    -8.821    -8.860    -0.039     (0)  
 H(0)          4.548e-10
    H2              2.274e-10   2.278e-10    -9.643    -9.642     0.001     28.61
-N(-3)         1.734e-04
-   NH4+            1.730e-04   1.574e-04    -3.762    -3.803    -0.041     (0)  
-   NH3             4.400e-07   4.407e-07    -6.357    -6.356     0.001     (0)  
-N(0)          3.023e-06
+N(-3)         1.742e-04
+   NH4+            1.737e-04   1.580e-04    -3.760    -3.801    -0.041     (0)  
+   NH3             4.399e-07   4.407e-07    -6.357    -6.356     0.001     (0)  
+N(0)          3.022e-06
    N2              1.511e-06   1.514e-06    -5.821    -5.820     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.409   -61.450    -0.041     25.02
+   NO2-            0.000e+00   0.000e+00   -61.411   -61.452    -0.041     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.487   -83.527    -0.041     29.54
+   NO3-            0.000e+00   0.000e+00   -83.489   -83.529    -0.041     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.096   -73.095     0.001     30.40
 
@@ -2714,73 +2715,73 @@ Total pressure:  0.20      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -1.16   6.907e-02  1.000   2.657e-22   6.553e-02   6.553e-02
+CH4(g)            -1.16   6.907e-02  1.000   2.664e-22   6.553e-02   6.553e-02
 CO2(g)            -1.04   9.161e-02  0.999   2.997e-02   8.691e-02   5.694e-02
 H2O(g)            -1.50   3.147e-02  0.998   2.977e-02   2.986e-02   8.047e-05
-N2(g)             -2.36   4.408e-03  1.000   0.000e+00   4.182e-03   4.182e-03
+N2(g)             -2.36   4.407e-03  1.000   0.000e+00   4.181e-03   4.181e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 8.599e-03   8.599e-03
-	Ca                2.501e-03   2.502e-03
-	N                 3.861e-04   3.861e-04
+	C                 8.502e-03   8.503e-03
+	Ca                2.453e-03   2.453e-03
+	N                 3.874e-04   3.874e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.541      Charge balance
-                                       pe  =  -3.311      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 468
-                          Density (g/cm³)  =   0.99738
+                                       pH  =   6.540      Charge balance
+                                       pe  =  -3.309      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 472
+                          Density (g/cm³)  =   0.99737
                                Volume (L)  =   1.00326
-                        Viscosity (mPa s)  =   0.89263
+                        Viscosity (mPa s)  =   0.89318
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   7.655e-03
+                 Ionic strength (mol/kgw)  =   7.665e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.383e-03
-                       Total CO2 (mol/kg)  =   8.490e-03
+                 Total alkalinity (eq/kg)  =   5.287e-03
+                       Total CO2 (mol/kg)  =   8.394e-03
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.20
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  28
+                               Iterations  =  30
                                   Total H  = 1.110264e+02
-                                  Total O  = 5.553190e+01
+                                  Total O  = 5.553165e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              3.120e-07   2.875e-07    -6.506    -6.541    -0.035      0.00
-   OH-             3.864e-08   3.520e-08    -7.413    -7.453    -0.041     -4.05
+   H+              3.131e-07   2.885e-07    -6.504    -6.540    -0.035      0.00
+   OH-             3.851e-08   3.507e-08    -7.414    -7.455    -0.041     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         1.088e-04
    CH4             1.088e-04   1.090e-04    -3.963    -3.963     0.001     35.45
-C(4)          8.490e-03
-   HCO3-           5.264e-03   4.816e-03    -2.279    -2.317    -0.039     24.63
+C(4)          8.394e-03
+   HCO3-           5.246e-03   4.799e-03    -2.280    -2.319    -0.039     24.63
    CO2             3.110e-03   3.114e-03    -2.507    -2.507     0.001     34.43
-   CaHCO3+         1.121e-04   1.027e-04    -3.950    -3.988    -0.038      9.71
-   CaCO3           2.202e-06   2.206e-06    -5.657    -5.656     0.001    -14.60
-   CO3-2           1.121e-06   7.856e-07    -5.950    -6.105    -0.155     -3.84
+   CaHCO3+         3.418e-05   3.131e-05    -4.466    -4.504    -0.038    122.68
+   CaCO3           2.212e-06   2.216e-06    -5.655    -5.654     0.001    -14.60
+   CO3-2           1.114e-06   7.800e-07    -5.953    -6.108    -0.155     -3.72
    (CO2)2          1.777e-07   1.780e-07    -6.750    -6.750     0.001     68.87
-Ca            2.501e-03
-   Ca+2            2.387e-03   1.671e-03    -2.622    -2.777    -0.155    -17.97
-   CaHCO3+         1.121e-04   1.027e-04    -3.950    -3.988    -0.038      9.71
-   CaCO3           2.202e-06   2.206e-06    -5.657    -5.656     0.001    -14.60
-   CaOH+           1.057e-09   9.646e-10    -8.976    -9.016    -0.040     (0)  
+Ca            2.453e-03
+   Ca+2            2.416e-03   1.691e-03    -2.617    -2.772    -0.155    -17.97
+   CaHCO3+         3.418e-05   3.131e-05    -4.466    -4.504    -0.038    122.68
+   CaCO3           2.212e-06   2.216e-06    -5.655    -5.654     0.001    -14.60
+   CaOH+           1.066e-09   9.727e-10    -8.972    -9.012    -0.040     (0)  
 H(0)          4.883e-10
    H2              2.441e-10   2.446e-10    -9.612    -9.612     0.001     28.61
-N(-3)         3.802e-04
-   NH4+            3.795e-04   3.448e-04    -3.421    -3.462    -0.042     (0)  
+N(-3)         3.815e-04
+   NH4+            3.808e-04   3.460e-04    -3.419    -3.461    -0.042     (0)  
    NH3             6.822e-07   6.834e-07    -6.166    -6.165     0.001     (0)  
-N(0)          5.874e-06
-   N2              2.937e-06   2.942e-06    -5.532    -5.531     0.001     29.29
+N(0)          5.873e-06
+   N2              2.936e-06   2.942e-06    -5.532    -5.531     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.461   -61.502    -0.041     25.02
+   NO2-            0.000e+00   0.000e+00   -61.463   -61.504    -0.041     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.569   -83.611    -0.041     29.54
+   NO3-            0.000e+00   0.000e+00   -83.571   -83.612    -0.041     29.54
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.158   -73.157     0.001     30.40
 
@@ -2788,7 +2789,7 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   0 atm)
 
-  Aragonite        -0.55     -8.88   -8.34  CaCO3
+  Aragonite        -0.54     -8.88   -8.34  CaCO3
   Calcite          -0.40     -8.88   -8.48  CaCO3
   CH4(g)           -1.16     -3.96   -2.80  CH4	 Pressure   0.1 atm, phi 1.000
   CO2(g)           -1.04     -2.51   -1.47  CO2	 Pressure   0.1 atm, phi 0.999
@@ -2834,73 +2835,73 @@ Total pressure:  0.33      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -0.86   1.380e-01  0.999   2.657e-22   1.310e-01   1.310e-01
+CH4(g)            -0.86   1.380e-01  0.999   2.664e-22   1.310e-01   1.310e-01
 CO2(g)            -0.82   1.515e-01  0.998   2.997e-02   1.438e-01   1.138e-01
 H2O(g)            -1.50   3.150e-02  0.997   2.977e-02   2.989e-02   1.178e-04
-N2(g)             -2.06   8.752e-03  1.000   0.000e+00   8.307e-03   8.307e-03
+N2(g)             -2.06   8.751e-03  1.000   0.000e+00   8.306e-03   8.306e-03
 
 -----------------------------Solution composition------------------------------
 
 	Elements           Molality       Moles
 
-	C                 1.123e-02   1.123e-02
-	Ca                2.501e-03   2.502e-03
-	N                 8.857e-04   8.858e-04
+	C                 1.114e-02   1.114e-02
+	Ca                2.452e-03   2.453e-03
+	N                 8.876e-04   8.878e-04
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.361      Charge balance
-                                       pe  =  -3.140      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 488
-                          Density (g/cm³)  =   0.99743
-                               Volume (L)  =   1.00344
-                        Viscosity (mPa s)  =   0.89274
+                                       pH  =   6.360      Charge balance
+                                       pe  =  -3.139      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 491
+                          Density (g/cm³)  =   0.99742
+                               Volume (L)  =   1.00345
+                        Viscosity (mPa s)  =   0.89337
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   8.132e-03
+                 Ionic strength (mol/kgw)  =   8.155e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   5.876e-03
-                       Total CO2 (mol/kg)  =   1.101e-02
+                 Total alkalinity (eq/kg)  =   5.781e-03
+                       Total CO2 (mol/kg)  =   1.092e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.33
-                  Electrical balance (eq)  =  -1.216e-09
+                  Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  29
+                               Iterations  =  32
                                   Total H  = 1.110406e+02
-                                  Total O  = 5.554310e+01
+                                  Total O  = 5.554286e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              4.740e-07   4.359e-07    -6.324    -6.361    -0.036      0.00
-   OH-             2.555e-08   2.321e-08    -7.593    -7.634    -0.042     -4.05
+   H+              4.750e-07   4.369e-07    -6.323    -6.360    -0.036      0.00
+   OH-             2.550e-08   2.316e-08    -7.593    -7.635    -0.042     -4.05
    H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.07
 C(-4)         2.173e-04
    CH4             2.173e-04   2.177e-04    -3.663    -3.662     0.001     35.45
-C(4)          1.101e-02
-   HCO3-           5.750e-03   5.249e-03    -2.240    -2.280    -0.040     24.63
+C(4)          1.092e-02
+   HCO3-           5.738e-03   5.237e-03    -2.241    -2.281    -0.040     24.64
    CO2             5.139e-03   5.146e-03    -2.289    -2.289     0.001     34.43
-   CaHCO3+         1.209e-04   1.105e-04    -3.918    -3.957    -0.039      9.72
-   CaCO3           1.562e-06   1.565e-06    -5.806    -5.805     0.001    -14.60
-   CO3-2           8.135e-07   5.646e-07    -6.090    -6.248    -0.159     -3.83
+   CaHCO3+         3.699e-05   3.381e-05    -4.432    -4.471    -0.039    122.68
+   CaCO3           1.577e-06   1.580e-06    -5.802    -5.801     0.001    -14.60
+   CO3-2           8.103e-07   5.622e-07    -6.091    -6.250    -0.159     -3.71
    (CO2)2          4.851e-07   4.860e-07    -6.314    -6.313     0.001     68.87
-Ca            2.501e-03
-   Ca+2            2.379e-03   1.650e-03    -2.624    -2.783    -0.159    -17.96
-   CaHCO3+         1.209e-04   1.105e-04    -3.918    -3.957    -0.039      9.72
-   CaCO3           1.562e-06   1.565e-06    -5.806    -5.805     0.001    -14.60
-   CaOH+           6.900e-10   6.280e-10    -9.161    -9.202    -0.041     (0)  
+Ca            2.452e-03
+   Ca+2            2.414e-03   1.673e-03    -2.617    -2.776    -0.159    -17.96
+   CaHCO3+         3.699e-05   3.381e-05    -4.432    -4.471    -0.039    122.68
+   CaCO3           1.577e-06   1.580e-06    -5.802    -5.801     0.001    -14.60
+   CaOH+           6.985e-10   6.355e-10    -9.156    -9.197    -0.041     (0)  
 H(0)          5.119e-10
    H2              2.560e-10   2.564e-10    -9.592    -9.591     0.001     28.61
-N(-3)         8.740e-04
-   NH4+            8.730e-04   7.910e-04    -3.059    -3.102    -0.043     (0)  
+N(-3)         8.760e-04
+   NH4+            8.749e-04   7.927e-04    -3.058    -3.101    -0.043     (0)  
    NH3             1.032e-06   1.034e-06    -5.986    -5.985     0.001     (0)  
 N(0)          1.166e-05
-   N2              5.831e-06   5.842e-06    -5.234    -5.233     0.001     29.29
+   N2              5.830e-06   5.841e-06    -5.234    -5.234     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.523   -61.565    -0.042     25.02
+   NO2-            0.000e+00   0.000e+00   -61.524   -61.566    -0.042     25.02
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.652   -83.694    -0.042     29.55
+   NO3-            0.000e+00   0.000e+00   -83.653   -83.695    -0.042     29.55
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.199   -73.198     0.001     30.40
 
@@ -2954,7 +2955,7 @@ Total pressure:  0.60      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -0.56   2.757e-01  0.999   2.657e-22   2.620e-01   2.620e-01
+CH4(g)            -0.56   2.757e-01  0.999   2.664e-22   2.620e-01   2.620e-01
 CO2(g)            -0.57   2.711e-01  0.997   2.997e-02   2.575e-01   2.275e-01
 H2O(g)            -1.50   3.154e-02  0.996   2.977e-02   2.997e-02   1.923e-04
 N2(g)             -1.76   1.738e-02  1.000   0.000e+00   1.651e-02   1.651e-02
@@ -2963,62 +2964,62 @@ N2(g)             -1.76   1.738e-02  1.000   0.000e+00   1.651e-02   1.651e-02
 
 	Elements           Molality       Moles
 
-	C                 1.657e-02   1.658e-02
-	Ca                2.501e-03   2.502e-03
-	N                 1.979e-03   1.979e-03
+	C                 1.647e-02   1.648e-02
+	Ca                2.452e-03   2.453e-03
+	N                 1.980e-03   1.980e-03
 
 ----------------------------Description of solution----------------------------
 
                                        pH  =   6.180      Charge balance
                                        pe  =  -2.966      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 531
-                          Density (g/cm³)  =   0.99754
+      Specific Conductance (µS/cm,  25°C)  = 532
+                          Density (g/cm³)  =   0.99753
                                Volume (L)  =   1.00381
-                        Viscosity (mPa s)  =   0.89296
+                        Viscosity (mPa s)  =   0.89378
                         Activity of water  =   1.000
-                 Ionic strength (mol/kgw)  =   9.175e-03
+                 Ionic strength (mol/kgw)  =   9.223e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =   6.957e-03
-                       Total CO2 (mol/kg)  =   1.614e-02
+                 Total alkalinity (eq/kg)  =   6.860e-03
+                       Total CO2 (mol/kg)  =   1.604e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  0.60
                   Electrical balance (eq)  =  -1.217e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  31
+                               Iterations  =  33
                                   Total H  = 1.110692e+02
-                                  Total O  = 5.556560e+01
+                                  Total O  = 5.556535e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              7.210e-07   6.605e-07    -6.142    -6.180    -0.038      0.00
+   H+              7.213e-07   6.607e-07    -6.142    -6.180    -0.038      0.00
    OH-             1.695e-08   1.532e-08    -7.771    -7.815    -0.044     -4.04
    H2O             5.551e+01   9.996e-01     1.744    -0.000     0.000     18.07
 C(-4)         4.337e-04
    CH4             4.337e-04   4.346e-04    -3.363    -3.362     0.001     35.45
-C(4)          1.614e-02
+C(4)          1.604e-02
    CO2             9.180e-03   9.193e-03    -2.037    -2.037     0.001     34.43
-   HCO3-           6.813e-03   6.189e-03    -2.167    -2.208    -0.042     24.64
-   CaHCO3+         1.393e-04   1.268e-04    -3.856    -3.897    -0.041      9.72
+   HCO3-           6.813e-03   6.187e-03    -2.167    -2.209    -0.042     24.64
+   CaHCO3+         4.294e-05   3.905e-05    -4.367    -4.408    -0.041    122.69
    (CO2)2          1.548e-06   1.551e-06    -5.810    -5.809     0.001     68.87
-   CaCO3           1.183e-06   1.185e-06    -5.927    -5.926     0.001    -14.60
-   CO3-2           6.455e-07   4.394e-07    -6.190    -6.357    -0.167     -3.80
-Ca            2.501e-03
-   Ca+2            2.360e-03   1.605e-03    -2.627    -2.794    -0.167    -17.94
-   CaHCO3+         1.393e-04   1.268e-04    -3.856    -3.897    -0.041      9.72
-   CaCO3           1.183e-06   1.185e-06    -5.927    -5.926     0.001    -14.60
-   CaOH+           4.454e-10   4.033e-10    -9.351    -9.394    -0.043     (0)  
+   CaCO3           1.205e-06   1.207e-06    -5.919    -5.918     0.001    -14.60
+   CO3-2           6.457e-07   4.392e-07    -6.190    -6.357    -0.167     -3.69
+Ca            2.452e-03
+   Ca+2            2.408e-03   1.636e-03    -2.618    -2.786    -0.168    -17.94
+   CaHCO3+         4.294e-05   3.905e-05    -4.367    -4.408    -0.041    122.69
+   CaCO3           1.205e-06   1.207e-06    -5.919    -5.918     0.001    -14.60
+   CaOH+           4.540e-10   4.109e-10    -9.343    -9.386    -0.043     (0)  
 H(0)          5.262e-10
    H2              2.631e-10   2.636e-10    -9.580    -9.579     0.001     28.61
 N(-3)         1.956e-03
-   NH4+            1.954e-03   1.760e-03    -2.709    -2.754    -0.045     (0)  
+   NH4+            1.955e-03   1.761e-03    -2.709    -2.754    -0.045     (0)  
    NH3             1.516e-06   1.519e-06    -5.819    -5.818     0.001     (0)  
 N(0)          2.315e-05
    N2              1.158e-05   1.160e-05    -4.936    -4.936     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.570   -61.614    -0.045     25.03
+   NO2-            0.000e+00   0.000e+00   -61.570   -61.615    -0.045     25.03
 N(5)          0.000e+00
    NO3-            0.000e+00   0.000e+00   -83.711   -83.756    -0.045     29.55
 O(0)          0.000e+00
@@ -3028,8 +3029,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.82     -9.15   -8.34  CaCO3
-  Calcite          -0.67     -9.15   -8.48  CaCO3
+  Aragonite        -0.81     -9.14   -8.34  CaCO3
+  Calcite          -0.66     -9.14   -8.48  CaCO3
   CH4(g)           -0.56     -3.36   -2.80  CH4	 Pressure   0.3 atm, phi 0.999
   CO2(g)           -0.57     -2.04   -1.47  CO2	 Pressure   0.3 atm, phi 0.997
   H2(g)            -6.48     -9.58   -3.10  H2
@@ -3074,7 +3075,7 @@ Total pressure:  1.13      atmospheres          (Peng-Robinson calculation)
                                             ----------------------------------
 Component         log P           P    phi     Initial       Final       Delta
 
-CH4(g)            -0.26   5.504e-01  0.998   2.657e-22   5.238e-01   5.238e-01
+CH4(g)            -0.26   5.504e-01  0.998   2.664e-22   5.238e-01   5.238e-01
 CO2(g)            -0.29   5.096e-01  0.994   2.997e-02   4.850e-01   4.550e-01
 H2O(g)            -1.50   3.165e-02  0.992   2.977e-02   3.012e-02   3.446e-04
 N2(g)             -1.46   3.459e-02  1.001   0.000e+00   3.292e-02   3.292e-02
@@ -3083,64 +3084,64 @@ N2(g)             -1.46   3.459e-02  1.001   0.000e+00   3.292e-02   3.292e-02
 
 	Elements           Molality       Moles
 
-	C                 2.718e-02   2.721e-02
-	Ca                2.500e-03   2.502e-03
-	N                 4.158e-03   4.161e-03
+	C                 2.708e-02   2.710e-02
+	Ca                2.451e-03   2.453e-03
+	N                 4.153e-03   4.157e-03
 
 ----------------------------Description of solution----------------------------
 
-                                       pH  =   6.021      Charge balance
-                                       pe  =  -2.810      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 616
-                          Density (g/cm³)  =   0.99775
-                               Volume (L)  =   1.00453
-                        Viscosity (mPa s)  =   0.89341
+                                       pH  =   6.022      Charge balance
+                                       pe  =  -2.811      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 614
+                          Density (g/cm³)  =   0.99773
+                               Volume (L)  =   1.00454
+                        Viscosity (mPa s)  =   0.89459
                         Activity of water  =   0.999
-                 Ionic strength (mol/kgw)  =   1.126e-02
+                 Ionic strength (mol/kgw)  =   1.135e-02
                        Mass of water (kg)  =   1.001e+00
-                 Total alkalinity (eq/kg)  =   9.111e-03
-                       Total CO2 (mol/kg)  =   2.632e-02
+                 Total alkalinity (eq/kg)  =   9.009e-03
+                       Total CO2 (mol/kg)  =   2.622e-02
                          Temperature (°C)  =  25.00
                            Pressure (atm)  =  1.13
                   Electrical balance (eq)  =  -1.204e-09
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  32
+                               Iterations  =  35
                                   Total H  = 1.111264e+02
-                                  Total O  = 5.561047e+01
+                                  Total O  = 5.561022e+01
 
 ----------------------------Distribution of species----------------------------
 
                                                Log       Log       Log    mole V
    Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol
 
-   H+              1.047e-06   9.523e-07    -5.980    -6.021    -0.041      0.00
-   OH-             1.187e-08   1.062e-08    -7.925    -7.974    -0.048     -4.03
+   H+              1.046e-06   9.508e-07    -5.981    -6.022    -0.041      0.00
+   OH-             1.189e-08   1.064e-08    -7.925    -7.973    -0.048     -4.02
    H2O             5.551e+01   9.994e-01     1.744    -0.000     0.000     18.07
-C(-4)         8.642e-04
-   CH4             8.642e-04   8.664e-04    -3.063    -3.062     0.001     35.46
-C(4)          2.632e-02
+C(-4)         8.641e-04
+   CH4             8.641e-04   8.664e-04    -3.063    -3.062     0.001     35.46
+C(4)          2.622e-02
    CO2             1.720e-02   1.723e-02    -1.764    -1.764     0.001     34.43
-   HCO3-           8.933e-03   8.044e-03    -2.049    -2.095    -0.046     24.66
-   CaHCO3+         1.738e-04   1.567e-04    -3.760    -3.805    -0.045      9.73
-   (CO2)2          5.435e-06   5.449e-06    -5.265    -5.264     0.001     68.87
-   CaCO3           1.014e-06   1.016e-06    -5.994    -5.993     0.001    -14.60
-   CO3-2           6.027e-07   3.962e-07    -6.220    -6.402    -0.182     -3.75
-Ca            2.500e-03
-   Ca+2            2.325e-03   1.527e-03    -2.634    -2.816    -0.182    -17.91
-   CaHCO3+         1.738e-04   1.567e-04    -3.760    -3.805    -0.045      9.73
-   CaCO3           1.014e-06   1.016e-06    -5.994    -5.993     0.001    -14.60
-   CaOH+           2.966e-10   2.660e-10    -9.528    -9.575    -0.047     (0)  
+   HCO3-           8.951e-03   8.057e-03    -2.048    -2.094    -0.046     24.66
+   CaHCO3+         5.413e-05   4.881e-05    -4.267    -4.311    -0.045    122.69
+   (CO2)2          5.435e-06   5.450e-06    -5.265    -5.264     0.001     68.87
+   CaCO3           1.047e-06   1.049e-06    -5.980    -5.979     0.001    -14.60
+   CO3-2           6.054e-07   3.974e-07    -6.218    -6.401    -0.183     -3.64
+Ca            2.451e-03
+   Ca+2            2.396e-03   1.572e-03    -2.621    -2.804    -0.183    -17.91
+   CaHCO3+         5.413e-05   4.881e-05    -4.267    -4.311    -0.045    122.69
+   CaCO3           1.047e-06   1.049e-06    -5.980    -5.979     0.001    -14.60
+   CaOH+           3.058e-10   2.742e-10    -9.515    -9.562    -0.047     (0)  
 H(0)          5.340e-10
    H2              2.670e-10   2.677e-10    -9.574    -9.572     0.001     28.61
-N(-3)         4.112e-03
-   NH4+            4.110e-03   3.665e-03    -2.386    -2.436    -0.050     (0)  
+N(-3)         4.107e-03
+   NH4+            4.105e-03   3.659e-03    -2.387    -2.437    -0.050     (0)  
    NH3             2.187e-06   2.193e-06    -5.660    -5.659     0.001     (0)  
 N(0)          4.606e-05
    N2              2.303e-05   2.309e-05    -4.638    -4.637     0.001     29.29
 N(3)          0.000e+00
-   NO2-            0.000e+00   0.000e+00   -61.585   -61.634    -0.049     25.04
+   NO2-            0.000e+00   0.000e+00   -61.584   -61.633    -0.049     25.04
 N(5)          0.000e+00
-   NO3-            0.000e+00   0.000e+00   -83.733   -83.782    -0.049     29.56
+   NO3-            0.000e+00   0.000e+00   -83.732   -83.781    -0.049     29.56
 O(0)          0.000e+00
    O2              0.000e+00   0.000e+00   -73.237   -73.236     0.001     30.40
 
@@ -3148,8 +3149,8 @@ O(0)          0.000e+00
 
   Phase               SI** log IAP   log K(298 K,   1 atm)
 
-  Aragonite        -0.88     -9.22   -8.34  CaCO3
-  Calcite          -0.74     -9.22   -8.48  CaCO3
+  Aragonite        -0.87     -9.20   -8.34  CaCO3
+  Calcite          -0.72     -9.20   -8.48  CaCO3
   CH4(g)           -0.26     -3.06   -2.80  CH4	 Pressure   0.6 atm, phi 0.998
   CO2(g)           -0.30     -1.76   -1.47  CO2	 Pressure   0.5 atm, phi 0.994
   H2(g)            -6.47     -9.57   -3.10  H2
diff --git a/phreeqc3-examples/ex7.sel b/phreeqc3-examples/ex7.sel
index 3e87649e..ce9b0612 100644
--- a/phreeqc3-examples/ex7.sel
+++ b/phreeqc3-examples/ex7.sel
@@ -1,28 +1,28 @@
          sim	       state	    reaction	   si_CO2(g)	   si_CH4(g)	    si_N2(g)	   si_NH3(g)	    pressure	   total mol	      volume	    g_CO2(g)	    g_CH4(g)	     g_N2(g)	    g_NH3(g)	
            1	      i_soln	         -99	   -999.9990	   -999.9990	   -999.9990	   -999.9990	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           1	       react	         -99	     -1.5001	    -21.5524	   -999.9990	   -999.9990	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           2	       react	  1.0000e-03	     -1.3544	     -0.4983	     -3.9804	     -8.3808	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           2	       react	  2.0000e-03	     -1.2454	     -0.1973	     -3.7279	     -8.1825	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           2	       react	  3.0000e-03	     -1.1582	     -0.0212	     -3.6047	     -8.0876	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           2	       react	  4.0000e-03	     -1.0914	     -0.0069	     -3.4389	     -8.0244	  1.1000e+00	  5.0197e-04	  1.1134e-02	  3.7187e-05	  4.5021e-04	  1.6610e-07	  0.0000e+00	
-           2	       react	  8.0000e-03	     -0.9098	     -0.0262	     -3.0143	     -7.8874	  1.1000e+00	  2.9373e-03	  6.5142e-02	  3.3055e-04	  2.5198e-03	  2.5836e-06	  0.0000e+00	
-           2	       react	  1.6000e-02	     -0.7177	     -0.0600	     -2.5772	     -7.7536	  1.1000e+00	  8.3718e-03	  1.8563e-01	  1.4663e-03	  6.6449e-03	  2.0143e-05	  0.0000e+00	
-           2	       react	  3.2000e-02	     -0.5499	     -0.1104	     -2.1263	     -7.6101	  1.1000e+00	  2.1071e-02	  4.6708e-01	  5.4326e-03	  1.4890e-02	  1.4316e-04	  0.0000e+00	
-           2	       react	  6.4000e-02	     -0.4348	     -0.1673	     -1.7739	     -7.4984	  1.1000e+00	  5.0847e-02	  1.1268e+00	  1.7087e-02	  3.1521e-02	  7.7758e-04	  0.0000e+00	
-           2	       react	  1.2500e-01	     -0.3738	     -0.2103	     -1.5956	     -7.4482	  1.1000e+00	  1.1309e-01	  2.5057e+00	  4.3730e-02	  6.3498e-02	  2.6073e-03	  0.0000e+00	
-           2	       react	  2.5000e-01	     -0.3427	     -0.2370	     -1.5130	     -7.4286	  1.1000e+00	  2.4478e-01	  5.4231e+00	  1.0169e-01	  1.2922e-01	  6.8255e-03	  0.0000e+00	
-           2	       react	  5.0000e-01	     -0.3277	     -0.2513	     -1.4759	     -7.4210	  1.1000e+00	  5.1044e-01	  1.1308e+01	  2.1949e-01	  2.6076e-01	  1.5502e-02	  0.0000e+00	
-           2	       react	  1.0000e+00	     -0.3204	     -0.2586	     -1.4585	     -7.4178	  1.1000e+00	  1.0429e+00	  2.3104e+01	  4.5605e-01	  5.2387e-01	  3.2966e-02	  0.0000e+00	
-           3	       i_gas	         -99	     -1.5001	    -21.5524	   -999.9990	   -999.9990	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
-           3	       react	  1.0000e-03	     -1.4939	     -3.2574	     -4.4528	     -9.5993	  6.4109e-02	  6.0800e-02	  2.3190e+01	  3.0424e-02	  5.2421e-04	  3.3422e-05	  0.0000e+00	
-           3	       react	  2.0000e-03	     -1.4874	     -2.9563	     -4.1503	     -9.3376	  6.5180e-02	  6.1814e-02	  2.3190e+01	  3.0880e-02	  1.0486e-03	  6.7072e-05	  0.0000e+00	
-           3	       react	  3.0000e-03	     -1.4811	     -2.7802	     -3.9735	     -9.1855	  6.6249e-02	  6.2828e-02	  2.3190e+01	  3.1336e-02	  1.5730e-03	  1.0078e-04	  0.0000e+00	
-           3	       react	  4.0000e-03	     -1.4748	     -2.6552	     -3.8480	     -9.0783	  6.7318e-02	  6.3843e-02	  2.3190e+01	  3.1792e-02	  2.0975e-03	  1.3452e-04	  0.0000e+00	
-           3	       react	  8.0000e-03	     -1.4506	     -2.3542	     -3.5461	     -8.8235	  7.1596e-02	  6.7900e-02	  2.3190e+01	  3.3615e-02	  4.1954e-03	  2.6960e-04	  0.0000e+00	
-           3	       react	  1.6000e-02	     -1.4059	     -2.0531	     -3.2447	     -8.5767	  8.0152e-02	  7.6015e-02	  2.3190e+01	  3.7262e-02	  8.3911e-03	  5.3973e-04	  0.0000e+00	
-           3	       react	  3.2000e-02	     -1.3283	     -1.7522	     -2.9439	     -8.3425	  9.7257e-02	  9.2242e-02	  2.3190e+01	  4.4554e-02	  1.6782e-02	  1.0788e-03	  0.0000e+00	
-           3	       react	  6.4000e-02	     -1.2055	     -1.4513	     -2.6441	     -8.1258	  1.3145e-01	  1.2468e-01	  2.3190e+01	  5.9133e-02	  3.3559e-02	  2.1518e-03	  0.0000e+00	
-           3	       react	  1.2500e-01	     -1.0385	     -1.1608	     -2.3556	     -7.9353	  1.9656e-01	  1.8648e-01	  2.3190e+01	  8.6909e-02	  6.5530e-02	  4.1820e-03	  0.0000e+00	
-           3	       react	  2.5000e-01	     -0.8204	     -0.8602	     -2.0577	     -7.7555	  3.2979e-01	  3.1300e-01	  2.3190e+01	  1.4379e-01	  1.3102e-01	  8.3071e-03	  0.0000e+00	
-           3	       react	  5.0000e-01	     -0.5684	     -0.5600	     -1.7598	     -7.5884	  5.9573e-01	  5.6594e-01	  2.3190e+01	  2.5750e-01	  2.6196e-01	  1.6510e-02	  0.0000e+00	
-           3	       react	  1.0000e+00	     -0.2955	     -0.2603	     -1.4608	     -7.4290	  1.1262e+00	  1.0719e+00	  2.3190e+01	  4.8499e-01	  5.2384e-01	  3.2919e-02	  0.0000e+00	
+           1	       react	         -99	     -1.5001	    -21.5512	   -999.9990	   -999.9990	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
+           2	       react	  1.0000e-03	     -1.3544	     -0.4983	     -3.9846	     -8.3828	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
+           2	       react	  2.0000e-03	     -1.2454	     -0.1973	     -3.7319	     -8.1845	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
+           2	       react	  3.0000e-03	     -1.1582	     -0.0212	     -3.6085	     -8.0895	  1.1000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
+           2	       react	  4.0000e-03	     -1.0914	     -0.0069	     -3.4425	     -8.0262	  1.1000e+00	  5.0196e-04	  1.1134e-02	  3.7187e-05	  4.5021e-04	  1.6474e-07	  0.0000e+00	
+           2	       react	  8.0000e-03	     -0.9098	     -0.0262	     -3.0171	     -7.8889	  1.1000e+00	  2.9372e-03	  6.5141e-02	  3.3055e-04	  2.5198e-03	  2.5666e-06	  0.0000e+00	
+           2	       react	  1.6000e-02	     -0.7177	     -0.0600	     -2.5789	     -7.7545	  1.1000e+00	  8.3716e-03	  1.8562e-01	  1.4663e-03	  6.6448e-03	  2.0062e-05	  0.0000e+00	
+           2	       react	  3.2000e-02	     -0.5499	     -0.1104	     -2.1267	     -7.6103	  1.1000e+00	  2.1071e-02	  4.6708e-01	  5.4325e-03	  1.4890e-02	  1.4303e-04	  0.0000e+00	
+           2	       react	  6.4000e-02	     -0.4348	     -0.1673	     -1.7737	     -7.4983	  1.1000e+00	  5.0849e-02	  1.1269e+00	  1.7088e-02	  3.1521e-02	  7.7795e-04	  0.0000e+00	
+           2	       react	  1.2500e-01	     -0.3738	     -0.2103	     -1.5954	     -7.4481	  1.1000e+00	  1.1309e-01	  2.5058e+00	  4.3732e-02	  6.3499e-02	  2.6085e-03	  0.0000e+00	
+           2	       react	  2.5000e-01	     -0.3427	     -0.2370	     -1.5129	     -7.4285	  1.1000e+00	  2.4478e-01	  5.4232e+00	  1.0169e-01	  1.2922e-01	  6.8273e-03	  0.0000e+00	
+           2	       react	  5.0000e-01	     -0.3277	     -0.2513	     -1.4759	     -7.4210	  1.1000e+00	  5.1044e-01	  1.1309e+01	  2.1950e-01	  2.6076e-01	  1.5504e-02	  0.0000e+00	
+           2	       react	  1.0000e+00	     -0.3204	     -0.2586	     -1.4585	     -7.4178	  1.1000e+00	  1.0429e+00	  2.3104e+01	  4.5606e-01	  5.2388e-01	  3.2968e-02	  0.0000e+00	
+           3	       i_gas	         -99	     -1.5001	    -21.5512	   -999.9990	   -999.9990	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	  0.0000e+00	
+           3	       react	  1.0000e-03	     -1.4939	     -3.2574	     -4.4529	     -9.5994	  6.4111e-02	  6.0800e-02	  2.3190e+01	  3.0424e-02	  5.2421e-04	  3.3415e-05	  0.0000e+00	
+           3	       react	  2.0000e-03	     -1.4874	     -2.9563	     -4.1504	     -9.3376	  6.5180e-02	  6.1814e-02	  2.3190e+01	  3.0880e-02	  1.0486e-03	  6.7058e-05	  0.0000e+00	
+           3	       react	  3.0000e-03	     -1.4811	     -2.7802	     -3.9735	     -9.1856	  6.6249e-02	  6.2828e-02	  2.3190e+01	  3.1336e-02	  1.5730e-03	  1.0076e-04	  0.0000e+00	
+           3	       react	  4.0000e-03	     -1.4748	     -2.6552	     -3.8481	     -9.0783	  6.7318e-02	  6.3843e-02	  2.3190e+01	  3.1792e-02	  2.0975e-03	  1.3450e-04	  0.0000e+00	
+           3	       react	  8.0000e-03	     -1.4506	     -2.3542	     -3.5462	     -8.8236	  7.1596e-02	  6.7900e-02	  2.3190e+01	  3.3615e-02	  4.1953e-03	  2.6955e-04	  0.0000e+00	
+           3	       react	  1.6000e-02	     -1.4059	     -2.0531	     -3.2448	     -8.5767	  8.0152e-02	  7.6015e-02	  2.3190e+01	  3.7262e-02	  8.3911e-03	  5.3964e-04	  0.0000e+00	
+           3	       react	  3.2000e-02	     -1.3283	     -1.7522	     -2.9440	     -8.3426	  9.7258e-02	  9.2242e-02	  2.3190e+01	  4.4554e-02	  1.6782e-02	  1.0786e-03	  0.0000e+00	
+           3	       react	  6.4000e-02	     -1.2055	     -1.4513	     -2.6442	     -8.1259	  1.3145e-01	  1.2468e-01	  2.3190e+01	  5.9133e-02	  3.3559e-02	  2.1514e-03	  0.0000e+00	
+           3	       react	  1.2500e-01	     -1.0385	     -1.1608	     -2.3557	     -7.9353	  1.9656e-01	  1.8647e-01	  2.3190e+01	  8.6908e-02	  6.5529e-02	  4.1813e-03	  0.0000e+00	
+           3	       react	  2.5000e-01	     -0.8204	     -0.8602	     -2.0578	     -7.7555	  3.2978e-01	  3.1300e-01	  2.3190e+01	  1.4379e-01	  1.3102e-01	  8.3061e-03	  0.0000e+00	
+           3	       react	  5.0000e-01	     -0.5684	     -0.5600	     -1.7598	     -7.5885	  5.9573e-01	  5.6594e-01	  2.3190e+01	  2.5750e-01	  2.6196e-01	  1.6510e-02	  0.0000e+00	
+           3	       react	  1.0000e+00	     -0.2955	     -0.2603	     -1.4608	     -7.4289	  1.1262e+00	  1.0719e+00	  2.3190e+01	  4.8499e-01	  5.2384e-01	  3.2922e-02	  0.0000e+00	
diff --git a/phreeqc3-examples/ex8.out b/phreeqc3-examples/ex8.out
index 35e0b3f0..37d31d32 100644
--- a/phreeqc3-examples/ex8.out
+++ b/phreeqc3-examples/ex8.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -89,7 +90,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
 
                                        pH  =   8.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 9863
+      Specific Conductance (µS/cm,  25°C)  = 9916
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89481
@@ -98,7 +99,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.326e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   6.946e-16
+                  Electrical balance (eq)  =   6.944e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   9
                                   Total H  = 1.110124e+02
@@ -184,7 +185,7 @@ Initial solution 2.
 
                                        pH  =   8.000    
                                        pe  =   4.000    
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9913
                           Density (g/cm³)  =   1.00266
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -193,7 +194,7 @@ Initial solution 2.
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.447e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   7.169e-16
+                  Electrical balance (eq)  =   7.200e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   9
                                   Total H  = 1.110124e+02
@@ -345,7 +346,7 @@ Hfo_w
 
                                        pH  =   5.000      Charge balance
                                        pe  =  15.095      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9915
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -356,7 +357,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.123e-04
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.06
-                               Iterations  =  17
+                               Iterations  =  16
                                   Total H  = 1.110122e+02
                                   Total O  = 5.580609e+01
 
@@ -371,7 +372,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.349   -43.339     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -52.670   -52.798    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -52.670   -52.798    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -57.052   -57.042     0.010     24.42
 N(0)          1.543e-06
    N2              7.715e-07   7.895e-07    -6.113    -6.103     0.010     29.29
@@ -483,7 +484,7 @@ Hfo_w
 
                                        pH  =   5.250      Charge balance
                                        pe  =  14.809      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -509,7 +510,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.278   -43.268     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -52.884   -53.012    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -52.884   -53.012    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -57.017   -57.007     0.010     24.42
 N(0)          1.111e-06
    N2              5.553e-07   5.682e-07    -6.255    -6.246     0.010     29.29
@@ -621,7 +622,7 @@ Hfo_w
 
                                        pH  =   5.500      Charge balance
                                        pe  =  14.523      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -632,7 +633,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -8.214e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.04
-                               Iterations  =  14
+                               Iterations  =  15
                                   Total H  = 1.110123e+02
                                   Total O  = 5.580613e+01
 
@@ -647,7 +648,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.206   -43.196     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.099   -53.227    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.099   -53.227    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.981   -56.971     0.010     24.42
 N(0)          7.992e-07
    N2              3.996e-07   4.089e-07    -6.398    -6.388     0.010     29.29
@@ -759,7 +760,7 @@ Hfo_w
 
                                        pH  =   5.750      Charge balance
                                        pe  =  14.237      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -785,7 +786,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.135   -43.125     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.313   -53.441    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.313   -53.441    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.945   -56.935     0.010     24.42
 N(0)          5.752e-07
    N2              2.876e-07   2.943e-07    -6.541    -6.531     0.010     29.29
@@ -897,7 +898,7 @@ Hfo_w
 
                                        pH  =   6.000      Charge balance
                                        pe  =  13.952      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -908,7 +909,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -5.700e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.03
-                               Iterations  =  14
+                               Iterations  =  15
                                   Total H  = 1.110123e+02
                                   Total O  = 5.580616e+01
 
@@ -923,7 +924,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.063   -43.053     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.527   -53.655    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.527   -53.655    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.909   -56.899     0.010     24.42
 N(0)          4.140e-07
    N2              2.070e-07   2.118e-07    -6.684    -6.674     0.010     29.29
@@ -1035,7 +1036,7 @@ Hfo_w
 
                                        pH  =   6.250      Charge balance
                                        pe  =  13.666      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -1061,7 +1062,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.992   -42.982     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.741   -53.869    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.741   -53.869    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.874   -56.864     0.010     24.42
 N(0)          2.979e-07
    N2              1.490e-07   1.524e-07    -6.827    -6.817     0.010     29.29
@@ -1173,7 +1174,7 @@ Hfo_w
 
                                        pH  =   6.500      Charge balance
                                        pe  =  13.380      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -1199,7 +1200,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.921   -42.911     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.956   -54.084    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.956   -54.084    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.838   -56.828     0.010     24.42
 N(0)          2.144e-07
    N2              1.072e-07   1.097e-07    -6.970    -6.960     0.010     29.29
@@ -1311,7 +1312,7 @@ Hfo_w
 
                                        pH  =   6.750      Charge balance
                                        pe  =  13.095      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -1337,7 +1338,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.849   -42.839     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.170   -54.298    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.170   -54.298    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.802   -56.792     0.010     24.42
 N(0)          1.543e-07
    N2              7.715e-08   7.895e-08    -7.113    -7.103     0.010     29.29
@@ -1449,7 +1450,7 @@ Hfo_w
 
                                        pH  =   7.000      Charge balance
                                        pe  =  12.809      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9915
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -1475,7 +1476,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.778   -42.768     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.384   -54.512    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.384   -54.512    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.767   -56.757     0.010     24.42
 N(0)          1.111e-07
    N2              5.553e-08   5.682e-08    -7.256    -7.246     0.010     29.29
@@ -1587,7 +1588,7 @@ Hfo_w
 
                                        pH  =   7.250      Charge balance
                                        pe  =  12.523      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9863
+      Specific Conductance (µS/cm,  25°C)  = 9915
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -1613,7 +1614,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.706   -42.696     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.599   -54.727    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.599   -54.727    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.731   -56.721     0.010     24.42
 N(0)          7.992e-08
    N2              3.996e-08   4.089e-08    -7.398    -7.388     0.010     29.29
@@ -1725,7 +1726,7 @@ Hfo_w
 
                                        pH  =   7.500      Charge balance
                                        pe  =  12.237      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9863
+      Specific Conductance (µS/cm,  25°C)  = 9915
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89481
@@ -1751,7 +1752,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.635   -42.625     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.813   -54.941    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.813   -54.941    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.695   -56.685     0.010     24.42
 N(0)          5.752e-08
    N2              2.876e-08   2.943e-08    -7.541    -7.531     0.010     29.29
@@ -1863,7 +1864,7 @@ Hfo_w
 
                                        pH  =   7.750      Charge balance
                                        pe  =  11.952      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9863
+      Specific Conductance (µS/cm,  25°C)  = 9915
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89481
@@ -1889,7 +1890,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.563   -42.553     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -55.027   -55.155    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -55.027   -55.155    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.659   -56.649     0.010     24.42
 N(0)          4.139e-08
    N2              2.070e-08   2.118e-08    -7.684    -7.674     0.010     29.29
@@ -2001,7 +2002,7 @@ Hfo_w
 
                                        pH  =   8.000      Charge balance
                                        pe  =  11.666      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9863
+      Specific Conductance (µS/cm,  25°C)  = 9916
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89481
@@ -2012,7 +2013,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.787e-08
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
-                               Iterations  =  14
+                               Iterations  =  15
                                   Total H  = 1.110124e+02
                                   Total O  = 5.580622e+01
 
@@ -2027,7 +2028,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.492   -42.482     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -55.241   -55.369    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -55.241   -55.369    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.624   -56.614     0.010     24.42
 N(0)          2.979e-08
    N2              1.490e-08   1.524e-08    -7.827    -7.817     0.010     29.29
@@ -2173,7 +2174,7 @@ Hfo_w
 
                                        pH  =   5.000      Charge balance
                                        pe  =  15.095      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9912
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89479
@@ -2199,10 +2200,10 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.349   -43.339     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -52.670   -52.798    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -52.670   -52.798    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -57.052   -57.042     0.010     24.42
 N(0)          1.543e-06
-   N2              7.716e-07   7.896e-07    -6.113    -6.103     0.010     29.29
+   N2              7.715e-07   7.895e-07    -6.113    -6.103     0.010     29.29
 N(3)          2.412e-13
    NO2-            2.412e-13   1.817e-13   -12.618   -12.741    -0.123     25.24
 N(5)          1.000e-01
@@ -2311,7 +2312,7 @@ Hfo_w
 
                                        pH  =   5.250      Charge balance
                                        pe  =  14.809      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9860
+      Specific Conductance (µS/cm,  25°C)  = 9911
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89479
@@ -2322,7 +2323,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -9.689e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.05
-                               Iterations  =  22
+                               Iterations  =  23
                                   Total H  = 1.110122e+02
                                   Total O  = 5.580611e+01
 
@@ -2337,7 +2338,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.278   -43.268     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -52.884   -53.012    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -52.884   -53.012    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -57.017   -57.007     0.010     24.42
 N(0)          1.110e-06
    N2              5.552e-07   5.682e-07    -6.256    -6.246     0.010     29.29
@@ -2449,7 +2450,7 @@ Hfo_w
 
                                        pH  =   5.500      Charge balance
                                        pe  =  14.523      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9859
+      Specific Conductance (µS/cm,  25°C)  = 9911
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89479
@@ -2460,7 +2461,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -8.259e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.04
-                               Iterations  =  22
+                               Iterations  =  21
                                   Total H  = 1.110123e+02
                                   Total O  = 5.580613e+01
 
@@ -2475,19 +2476,19 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.206   -43.196     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.099   -53.227    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.098   -53.226    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.981   -56.971     0.010     24.42
-N(0)          7.992e-07
-   N2              3.996e-07   4.089e-07    -6.398    -6.388     0.010     29.29
-N(3)          3.351e-13
-   NO2-            3.351e-13   2.525e-13   -12.475   -12.598    -0.123     25.24
+N(0)          7.997e-07
+   N2              3.998e-07   4.092e-07    -6.398    -6.388     0.010     29.29
+N(3)          3.352e-13
+   NO2-            3.352e-13   2.525e-13   -12.475   -12.598    -0.123     25.24
 N(5)          1.000e-01
    NO3-            1.000e-01   7.534e-02    -1.000    -1.123    -0.123     29.77
 Na            9.972e-02
    Na+             9.972e-02   7.828e-02    -1.001    -1.106    -0.105     -1.09
    NaOH            2.440e-20   2.497e-20   -19.613   -19.603     0.010     (0)  
-O(0)          1.998e-06
-   O2              9.990e-07   1.022e-06    -6.000    -5.990     0.010     30.40
+O(0)          1.997e-06
+   O2              9.987e-07   1.022e-06    -6.001    -5.991     0.010     30.40
 Zn            9.832e-05
    Zn+2            9.830e-05   3.697e-05    -4.007    -4.432    -0.425    -24.68
    ZnOH+           1.636e-08   1.278e-08    -7.786    -7.894    -0.107     (0)  
@@ -2587,7 +2588,7 @@ Hfo_w
 
                                        pH  =   5.750      Charge balance
                                        pe  =  14.237      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9859
+      Specific Conductance (µS/cm,  25°C)  = 9911
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89479
@@ -2613,7 +2614,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.135   -43.125     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.313   -53.441    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.313   -53.441    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.945   -56.935     0.010     24.42
 N(0)          5.751e-07
    N2              2.876e-07   2.943e-07    -6.541    -6.531     0.010     29.29
@@ -2725,7 +2726,7 @@ Hfo_w
 
                                        pH  =   6.000      Charge balance
                                        pe  =  13.952      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9860
+      Specific Conductance (µS/cm,  25°C)  = 9911
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89479
@@ -2751,7 +2752,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -43.063   -43.053     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.527   -53.655    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.527   -53.655    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.909   -56.899     0.010     24.42
 N(0)          4.139e-07
    N2              2.070e-07   2.118e-07    -6.684    -6.674     0.010     29.29
@@ -2863,7 +2864,7 @@ Hfo_w
 
                                        pH  =   6.250      Charge balance
                                        pe  =  13.666      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9860
+      Specific Conductance (µS/cm,  25°C)  = 9912
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -2889,7 +2890,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.992   -42.982     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.741   -53.869    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.741   -53.869    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.874   -56.864     0.010     24.42
 N(0)          2.979e-07
    N2              1.490e-07   1.524e-07    -6.827    -6.817     0.010     29.29
@@ -3001,7 +3002,7 @@ Hfo_w
 
                                        pH  =   6.500      Charge balance
                                        pe  =  13.380      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9860
+      Specific Conductance (µS/cm,  25°C)  = 9912
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3025,21 +3026,21 @@ Hfo_w
    OH-             4.189e-08   3.190e-08    -7.378    -7.496    -0.118     -3.73
    H2O             5.551e+01   9.966e-01     1.744    -0.001     0.000     18.07
 H(0)          0.000e+00
-   H2              0.000e+00   0.000e+00   -42.921   -42.910     0.010     28.61
+   H2              0.000e+00   0.000e+00   -42.920   -42.910     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -53.955   -54.084    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -53.955   -54.083    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.838   -56.828     0.010     24.42
-N(0)          2.145e-07
-   N2              1.072e-07   1.097e-07    -6.970    -6.960     0.010     29.29
-N(3)          6.471e-13
-   NO2-            6.471e-13   4.875e-13   -12.189   -12.312    -0.123     25.24
+N(0)          2.146e-07
+   N2              1.073e-07   1.098e-07    -6.969    -6.959     0.010     29.29
+N(3)          6.472e-13
+   NO2-            6.472e-13   4.875e-13   -12.189   -12.312    -0.123     25.24
 N(5)          1.000e-01
    NO3-            1.000e-01   7.534e-02    -1.000    -1.123    -0.123     29.77
 Na            9.978e-02
    Na+             9.978e-02   7.833e-02    -1.001    -1.106    -0.105     -1.09
    NaOH            2.442e-19   2.499e-19   -18.612   -18.602     0.010     (0)  
-O(0)          5.359e-07
-   O2              2.679e-07   2.742e-07    -6.572    -6.562     0.010     30.40
+O(0)          5.358e-07
+   O2              2.679e-07   2.741e-07    -6.572    -6.562     0.010     30.40
 Zn            9.075e-05
    Zn+2            9.059e-05   3.407e-05    -4.043    -4.468    -0.425    -24.68
    ZnOH+           1.507e-07   1.177e-07    -6.822    -6.929    -0.107     (0)  
@@ -3139,7 +3140,7 @@ Hfo_w
 
                                        pH  =   6.750      Charge balance
                                        pe  =  13.094      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9912
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3165,18 +3166,18 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.849   -42.839     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.169   -54.297    -0.128     18.17
-   NH3             0.000e+00   0.000e+00   -56.802   -56.792     0.010     24.42
-N(0)          1.545e-07
-   N2              7.727e-08   7.907e-08    -7.112    -7.102     0.010     29.29
+   NH4+            0.000e+00   0.000e+00   -54.169   -54.297    -0.128     18.15
+   NH3             0.000e+00   0.000e+00   -56.801   -56.791     0.010     24.42
+N(0)          1.546e-07
+   N2              7.731e-08   7.911e-08    -7.112    -7.102     0.010     29.29
 N(3)          7.630e-13
-   NO2-            7.630e-13   5.748e-13   -12.117   -12.240    -0.123     25.24
+   NO2-            7.630e-13   5.749e-13   -12.117   -12.240    -0.123     25.24
 N(5)          1.000e-01
    NO3-            1.000e-01   7.534e-02    -1.000    -1.123    -0.123     29.77
 Na            9.980e-02
    Na+             9.980e-02   7.835e-02    -1.001    -1.106    -0.105     -1.09
    NaOH            4.343e-19   4.444e-19   -18.362   -18.352     0.010     (0)  
-O(0)          3.855e-07
+O(0)          3.854e-07
    O2              1.927e-07   1.972e-07    -6.715    -6.705     0.010     30.40
 Zn            8.484e-05
    Zn+2            8.458e-05   3.181e-05    -4.073    -4.497    -0.425    -24.68
@@ -3277,7 +3278,7 @@ Hfo_w
 
                                        pH  =   7.000      Charge balance
                                        pe  =  12.809      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9913
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3303,7 +3304,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.778   -42.768     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.384   -54.512    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.384   -54.512    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.767   -56.757     0.010     24.42
 N(0)          1.110e-07
    N2              5.552e-08   5.682e-08    -7.256    -7.246     0.010     29.29
@@ -3415,7 +3416,7 @@ Hfo_w
 
                                        pH  =   7.250      Charge balance
                                        pe  =  12.523      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9913
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3426,7 +3427,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -2.512e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
-                               Iterations  =  23
+                               Iterations  =  25
                                   Total H  = 1.110125e+02
                                   Total O  = 5.580627e+01
 
@@ -3441,19 +3442,19 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.706   -42.696     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.598   -54.727    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.599   -54.727    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.731   -56.721     0.010     24.42
-N(0)          7.993e-08
-   N2              3.997e-08   4.090e-08    -7.398    -7.388     0.010     29.29
+N(0)          7.992e-08
+   N2              3.996e-08   4.089e-08    -7.398    -7.388     0.010     29.29
 N(3)          1.060e-12
-   NO2-            1.060e-12   7.985e-13   -11.975   -12.098    -0.123     25.24
+   NO2-            1.060e-12   7.984e-13   -11.975   -12.098    -0.123     25.24
 N(5)          1.000e-01
    NO3-            1.000e-01   7.534e-02    -1.000    -1.123    -0.123     29.77
 Na            9.985e-02
    Na+             9.985e-02   7.839e-02    -1.001    -1.106    -0.105     -1.09
    NaOH            1.374e-18   1.406e-18   -17.862   -17.852     0.010     (0)  
 O(0)          1.998e-07
-   O2              9.989e-08   1.022e-07    -7.000    -6.990     0.010     30.40
+   O2              9.990e-08   1.022e-07    -7.000    -6.990     0.010     30.40
 Zn            6.248e-05
    Zn+2            6.181e-05   2.325e-05    -4.209    -4.634    -0.425    -24.68
    ZnOH+           5.783e-07   4.517e-07    -6.238    -6.345    -0.107     (0)  
@@ -3553,7 +3554,7 @@ Hfo_w
 
                                        pH  =   7.500      Charge balance
                                        pe  =  12.237      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9861
+      Specific Conductance (µS/cm,  25°C)  = 9913
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3579,10 +3580,10 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.635   -42.625     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -54.812   -54.940    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -54.812   -54.940    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.695   -56.685     0.010     24.42
-N(0)          5.760e-08
-   N2              2.880e-08   2.947e-08    -7.541    -7.531     0.010     29.29
+N(0)          5.759e-08
+   N2              2.879e-08   2.947e-08    -7.541    -7.531     0.010     29.29
 N(3)          1.250e-12
    NO2-            1.250e-12   9.414e-13   -11.903   -12.026    -0.123     25.24
 N(5)          1.000e-01
@@ -3591,7 +3592,7 @@ Na            9.988e-02
    Na+             9.988e-02   7.841e-02    -1.001    -1.106    -0.105     -1.09
    NaOH            2.444e-18   2.501e-18   -17.612   -17.602     0.010     (0)  
 O(0)          1.437e-07
-   O2              7.185e-08   7.353e-08    -7.144    -7.134     0.010     30.40
+   O2              7.186e-08   7.353e-08    -7.144    -7.134     0.010     30.40
 Zn            4.944e-05
    Zn+2            4.841e-05   1.821e-05    -4.315    -4.740    -0.425    -24.68
    ZnOH+           8.055e-07   6.292e-07    -6.094    -6.201    -0.107     (0)  
@@ -3690,8 +3691,8 @@ Hfo_w
 ----------------------------Description of solution----------------------------
 
                                        pH  =   7.750      Charge balance
-                                       pe  =  11.951      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+                                       pe  =  11.952      Adjusted to redox equilibrium
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3702,7 +3703,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -2.080e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
-                               Iterations  =  23
+                               Iterations  =  25
                                   Total H  = 1.110126e+02
                                   Total O  = 5.580632e+01
 
@@ -3717,19 +3718,19 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.563   -42.553     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -55.025   -55.153    -0.128     18.17
-   NH3             0.000e+00   0.000e+00   -56.657   -56.647     0.010     24.42
-N(0)          4.167e-08
-   N2              2.083e-08   2.132e-08    -7.681    -7.671     0.010     29.29
-N(3)          1.475e-12
-   NO2-            1.475e-12   1.111e-12   -11.831   -11.954    -0.123     25.24
+   NH4+            0.000e+00   0.000e+00   -55.027   -55.155    -0.128     18.15
+   NH3             0.000e+00   0.000e+00   -56.659   -56.649     0.010     24.42
+N(0)          4.139e-08
+   N2              2.070e-08   2.118e-08    -7.684    -7.674     0.010     29.29
+N(3)          1.473e-12
+   NO2-            1.473e-12   1.109e-12   -11.832   -11.955    -0.123     25.24
 N(5)          1.000e-01
    NO3-            1.000e-01   7.534e-02    -1.000    -1.123    -0.123     29.77
 Na            9.991e-02
    Na+             9.991e-02   7.844e-02    -1.000    -1.105    -0.105     -1.09
    NaOH            4.348e-18   4.449e-18   -17.362   -17.352     0.010     (0)  
-O(0)          1.032e-07
-   O2              5.161e-08   5.281e-08    -7.287    -7.277     0.010     30.40
+O(0)          1.035e-07
+   O2              5.174e-08   5.295e-08    -7.286    -7.276     0.010     30.40
 Zn            3.752e-05
    Zn+2            3.594e-05   1.352e-05    -4.444    -4.869    -0.425    -24.68
    ZnOH+           1.063e-06   8.307e-07    -5.973    -6.081    -0.107     (0)  
@@ -3745,7 +3746,7 @@ Zn            3.752e-05
   H2(g)           -39.45    -42.55   -3.10  H2
   H2O(g)           -1.50     -0.00    1.50  H2O
   N2(g)            -4.50     -7.67   -3.18  N2
-  NH3(g)          -58.44    -56.65    1.80  NH3
+  NH3(g)          -58.45    -56.65    1.80  NH3
   O2(g)            -4.38     -7.28   -2.89  O2
   Zn(OH)2(e)       -0.87     10.63   11.50  Zn(OH)2
 
@@ -3829,7 +3830,7 @@ Hfo_w
 
                                        pH  =   8.000      Charge balance
                                        pe  =  11.666      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 9862
+      Specific Conductance (µS/cm,  25°C)  = 9914
                           Density (g/cm³)  =   1.00265
                                Volume (L)  =   1.00583
                         Viscosity (mPa s)  =   0.89480
@@ -3840,7 +3841,7 @@ Hfo_w
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -1.854e-05
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
-                               Iterations  =  25
+                               Iterations  =  24
                                   Total H  = 1.110127e+02
                                   Total O  = 5.580635e+01
 
@@ -3855,7 +3856,7 @@ Hfo_w
 H(0)          0.000e+00
    H2              0.000e+00   0.000e+00   -42.492   -42.482     0.010     28.61
 N(-3)         0.000e+00
-   NH4+            0.000e+00   0.000e+00   -55.241   -55.369    -0.128     18.17
+   NH4+            0.000e+00   0.000e+00   -55.241   -55.369    -0.128     18.15
    NH3             0.000e+00   0.000e+00   -56.624   -56.614     0.010     24.42
 N(0)          2.979e-08
    N2              1.490e-08   1.524e-08    -7.827    -7.817     0.010     29.29
@@ -3866,8 +3867,8 @@ N(5)          1.000e-01
 Na            9.993e-02
    Na+             9.993e-02   7.845e-02    -1.000    -1.105    -0.105     -1.09
    NaOH            7.734e-18   7.914e-18   -17.112   -17.102     0.010     (0)  
-O(0)          7.448e-08
-   O2              3.724e-08   3.811e-08    -7.429    -7.419     0.010     30.40
+O(0)          7.447e-08
+   O2              3.724e-08   3.810e-08    -7.429    -7.419     0.010     30.40
 Zn            2.762e-05
    Zn+2            2.514e-05   9.458e-06    -4.600    -5.024    -0.425    -24.68
    ZnOH+           1.323e-06   1.033e-06    -5.878    -5.986    -0.107     (0)  
diff --git a/phreeqc3-examples/ex8.sel b/phreeqc3-examples/ex8.sel
index 133aaa03..0ddfff4f 100644
--- a/phreeqc3-examples/ex8.sel
+++ b/phreeqc3-examples/ex8.sel
@@ -12,16 +12,16 @@
           15	       react	           1	         -99	           0	           1	         7.5	     12.2374	         -99	      25.000	 3.80557e-07	   0.0999953	           1	-1.01328e-05	 -0.00506665	  1.1918e-09	  4.0447e-09	  9.4738e-08	
           16	       react	           1	         -99	           0	           1	        7.75	     11.9517	         -99	      25.000	 7.23295e-07	   0.0999982	           1	-4.96214e-06	 -0.00248112	  4.2167e-10	  4.0771e-09	  9.5483e-08	
           17	       react	           1	         -99	           0	           1	           8	      11.666	         -99	      25.000	  1.3124e-06	    0.100001	           1	 -1.7871e-08	 -8.9354e-06	  1.4817e-10	  4.0887e-09	  9.5749e-08	
-          20	       react	           2	         -99	           0	           1	           5	     15.0945	         -99	      25.000	-1.21096e-05	    0.100042	    0.999998	-0.000112354	  -0.0562096	  9.9686e-05	  1.3167e-08	  2.9577e-07	
+          20	       react	           2	         -99	           0	           1	           5	     15.0946	         -99	      25.000	-1.21096e-05	    0.100042	    0.999998	-0.000112354	  -0.0562096	  9.9686e-05	  1.3167e-08	  2.9577e-07	
           21	       react	           2	         -99	           0	           1	        5.25	     14.8088	         -99	      25.000	-6.80176e-06	     0.10005	    0.999998	-9.68903e-05	  -0.0484692	  9.9221e-05	  3.6026e-08	  7.3398e-07	
           22	       react	           2	         -99	           0	           1	         5.5	     14.5231	         -99	      25.000	-3.81085e-06	    0.100056	    0.999998	-8.25933e-05	   -0.041314	  9.8302e-05	  9.7147e-08	  1.5849e-06	
           23	       react	           2	         -99	           0	           1	        5.75	     14.2374	         -99	      25.000	 -2.1182e-06	    0.100062	    0.999999	-6.96993e-05	   -0.034862	  9.6949e-05	  2.5852e-07	  2.7639e-06	
-          24	       react	           2	         -99	           0	           1	           6	     13.9517	         -99	      25.000	-1.14729e-06	    0.100066	    0.999999	-5.82071e-05	  -0.0291122	  9.5439e-05	  6.8198e-07	  3.8284e-06	
+          24	       react	           2	         -99	           0	           1	           6	     13.9517	         -99	      25.000	-1.14729e-06	    0.100066	    0.999999	-5.82072e-05	  -0.0291122	  9.5439e-05	  6.8198e-07	  3.8284e-06	
           25	       react	           2	         -99	           0	           1	        6.25	      13.666	         -99	      25.000	-5.67452e-07	    0.100069	    0.999999	 -4.8109e-05	  -0.0240603	  9.3655e-05	  1.7788e-06	  4.4775e-06	
           26	       react	           2	         -99	           0	           1	         6.5	     13.3802	         -99	      25.000	-1.82222e-07	    0.100071	           1	-3.95664e-05	  -0.0197871	  9.0590e-05	  4.4736e-06	  4.7812e-06	
           27	       react	           2	         -99	           0	           1	        6.75	     13.0945	         -99	      25.000	 1.33839e-07	    0.100068	           1	-3.28749e-05	  -0.0164401	  8.4578e-05	  1.0254e-05	  4.9050e-06	
           28	       react	           2	         -99	           0	           1	           7	     12.8088	         -99	      25.000	  4.7235e-07	     0.10006	           1	-2.81879e-05	  -0.0140959	  7.4599e-05	  2.0021e-05	  4.9534e-06	
           29	       react	           2	         -99	           0	           1	        7.25	     12.5231	         -99	      25.000	 9.25371e-07	    0.100049	           1	-2.51184e-05	  -0.0125608	  6.1808e-05	  3.2551e-05	  4.9732e-06	
           30	       react	           2	         -99	           0	           1	         7.5	     12.2374	         -99	      25.000	 1.63108e-06	    0.100037	           1	-2.28778e-05	  -0.0114402	  4.8410e-05	  4.5580e-05	  4.9823e-06	
-          31	       react	           2	         -99	           0	           1	        7.75	     11.9514	         -99	      25.000	 2.83165e-06	    0.100026	           1	-2.08025e-05	  -0.0104023	  3.5937e-05	  5.7490e-05	  4.9870e-06	
+          31	       react	           2	         -99	           0	           1	        7.75	     11.9517	         -99	      25.000	 2.83165e-06	    0.100026	           1	-2.08025e-05	  -0.0104023	  3.5937e-05	  5.7490e-05	  4.9870e-06	
           32	       react	           2	         -99	           0	           1	           8	      11.666	         -99	      25.000	 4.94809e-06	    0.100017	           1	-1.85413e-05	 -0.00927139	  2.5143e-05	  6.7388e-05	  4.9897e-06	
diff --git a/phreeqc3-examples/ex9.out b/phreeqc3-examples/ex9.out
index 23b36fe8..349afdd3 100644
--- a/phreeqc3-examples/ex9.out
+++ b/phreeqc3-examples/ex9.out
@@ -13,6 +13,7 @@ Reading data base.
 	EXCHANGE_SPECIES
 	SURFACE_MASTER_SPECIES
 	SURFACE_SPECIES
+	MEAN_GAMMAS
 	RATES
 	END
 ------------------------------------
@@ -178,7 +179,7 @@ Initial solution 1.
 
                                        pH  =   7.000    
                                        pe  =  13.629      Equilibrium with O2(g)
-      Specific Conductance (µS/cm,  25°C)  = 1192
+      Specific Conductance (µS/cm,  25°C)  = 1190
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -187,7 +188,7 @@ Initial solution 1.
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   2.310e-07
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   5.834e-18
+                  Electrical balance (eq)  =   5.948e-19
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =   9
                                   Total H  = 1.110124e+02
@@ -270,7 +271,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -2.669e-07
 
                                        pH  =   6.045      Charge balance
                                        pe  =  14.585      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1192
+      Specific Conductance (µS/cm,  25°C)  = 1191
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -279,7 +280,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -2.669e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.298e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   8.157e-16
+                  Electrical balance (eq)  =   8.244e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  = 208 (195 overall)
                                   Total H  = 1.110124e+02
@@ -371,7 +372,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -1.858e-07
 
                                        pH  =   5.807      Charge balance
                                        pe  =  14.823      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1192
+      Specific Conductance (µS/cm,  25°C)  = 1191
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -380,7 +381,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -1.858e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   2.041e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   8.186e-16
+                  Electrical balance (eq)  =   8.307e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  27
                                   Total H  = 1.110124e+02
@@ -472,7 +473,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.073e-07
 
                                        pH  =   5.522      Charge balance
                                        pe  =  15.107      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1193
+      Specific Conductance (µS/cm,  25°C)  = 1192
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -481,7 +482,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.073e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   3.670e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   9.113e-16
+                  Electrical balance (eq)  =   9.165e-16
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  67
                                   Total H  = 1.110124e+02
@@ -573,7 +574,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.928e-07
 
                                        pH  =   5.324      Charge balance
                                        pe  =  15.305      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1194
+      Specific Conductance (µS/cm,  25°C)  = 1192
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -582,7 +583,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.928e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   5.641e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   6.893e-15
+                  Electrical balance (eq)  =   6.899e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  26
                                   Total H  = 1.110124e+02
@@ -674,7 +675,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.731e-07
 
                                        pH  =   5.195      Charge balance
                                        pe  =  15.435      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1194
+      Specific Conductance (µS/cm,  25°C)  = 1193
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -775,7 +776,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -6.071e-07
 
                                        pH  =   5.072      Charge balance
                                        pe  =  15.557      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1195
+      Specific Conductance (µS/cm,  25°C)  = 1194
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00315
                         Viscosity (mPa s)  =   0.89124
@@ -784,7 +785,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -6.071e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   9.960e-06
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   6.916e-15
+                  Electrical balance (eq)  =   6.927e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  24
                                   Total H  = 1.110124e+02
@@ -876,7 +877,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -6.211e-07
 
                                        pH  =   4.976      Charge balance
                                        pe  =  15.653      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1196
+      Specific Conductance (µS/cm,  25°C)  = 1194
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00314
                         Viscosity (mPa s)  =   0.89124
@@ -885,7 +886,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -6.211e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.244e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   6.904e-15
+                  Electrical balance (eq)  =   6.924e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  23
                                   Total H  = 1.110124e+02
@@ -977,7 +978,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -7.790e-07
 
                                        pH  =   4.882      Charge balance
                                        pe  =  15.748      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1197
+      Specific Conductance (µS/cm,  25°C)  = 1195
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00314
                         Viscosity (mPa s)  =   0.89124
@@ -986,7 +987,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -7.790e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.556e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   6.902e-15
+                  Electrical balance (eq)  =   6.927e-15
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  23
                                   Total H  = 1.110124e+02
@@ -1078,7 +1079,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -5.440e-07
 
                                        pH  =   4.827      Charge balance
                                        pe  =  15.803      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1197
+      Specific Conductance (µS/cm,  25°C)  = 1196
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00314
                         Viscosity (mPa s)  =   0.89124
@@ -1087,7 +1088,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -5.440e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.774e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   5.314e-14
+                  Electrical balance (eq)  =   5.316e-14
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  20
                                   Total H  = 1.110124e+02
@@ -1179,7 +1180,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.315e-07
 
                                        pH  =   4.788      Charge balance
                                        pe  =  15.842      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1198
+      Specific Conductance (µS/cm,  25°C)  = 1197
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00314
                         Viscosity (mPa s)  =   0.89124
@@ -1188,7 +1189,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -4.315e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   1.946e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   5.623e-14
+                  Electrical balance (eq)  =   5.627e-14
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  20
                                   Total H  = 1.110124e+02
@@ -1280,7 +1281,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -3.633e-07
 
                                        pH  =   4.758      Charge balance
                                        pe  =  15.871      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1198
+      Specific Conductance (µS/cm,  25°C)  = 1197
                           Density (g/cm³)  =   0.99747
                                Volume (L)  =   1.00314
                         Viscosity (mPa s)  =   0.89124
@@ -1289,7 +1290,7 @@ O2(g)            -0.67    -3.56     -2.89    1.000e+01   1.000e+01  -3.633e-07
                        Mass of water (kg)  =   1.000e+00
                  Total alkalinity (eq/kg)  =   2.091e-05
                          Temperature (°C)  =  25.00
-                  Electrical balance (eq)  =   5.664e-14
+                  Electrical balance (eq)  =   5.669e-14
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                                Iterations  =  20
                                   Total H  = 1.110124e+02
diff --git a/phreeqc3-examples/radial b/phreeqc3-examples/radial
index decf7574..813fce04 100644
--- a/phreeqc3-examples/radial
+++ b/phreeqc3-examples/radial
@@ -9,137 +9,137 @@ SOLUTION 4; -water   1.3963e-03
 	
 
 # cells in Opalinus Clay...	
-SOLUTION 5; -water   7.7322e-05	
+SOLUTION 5; -water   7.2695e-05	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 5; -equil 5;	
- Su_ 3.8224e-04  5.2840e+05   6.6087e-04	
+ Su_ 5.4363e-04  5.2840e+05   6.6087e-04	
  Su_ii 7.4371e-06	
  Su_fes 6.9841e-07	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 5; -equil 5;	
- X 4.6718e-04
+ X 5.8893e-04
 	
-SOLUTION 6; -water   9.5113e-05	
+SOLUTION 6; -water   8.9423e-05	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 6; -equil 6;	
- Su_ 4.7019e-04  5.2840e+05   8.1293e-04	
+ Su_ 6.6871e-04  5.2840e+05   8.1293e-04	
  Su_ii 9.1484e-06	
  Su_fes 8.5911e-07	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 6; -equil 6;	
- X 5.7468e-04
+ X 7.2444e-04
 	
-SOLUTION 7; -water   1.1291e-04	
+SOLUTION 7; -water   1.0615e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 7; -equil 7;	
- Su_ 5.5814e-04  5.2840e+05   9.6500e-04	
+ Su_ 7.9380e-04  5.2840e+05   9.6500e-04	
  Su_ii 1.0860e-05	
  Su_fes 1.0198e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 7; -equil 7;	
- X 6.8218e-04
+ X 8.5995e-04
 	
-SOLUTION 8; -water   1.3070e-04	
+SOLUTION 8; -water   1.2288e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 8; -equil 8;	
- Su_ 6.4610e-04  5.2840e+05   1.1171e-03	
+ Su_ 9.1889e-04  5.2840e+05   1.1171e-03	
  Su_ii 1.2571e-05	
  Su_fes 1.1805e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 8; -equil 8;	
- X 7.8967e-04
+ X 9.9547e-04
 	
-SOLUTION 9; -water   1.4849e-04	
+SOLUTION 9; -water   1.3960e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 9; -equil 9;	
- Su_ 7.3405e-04  5.2840e+05   1.2691e-03	
+ Su_ 1.0440e-03  5.2840e+05   1.2691e-03	
  Su_ii 1.4282e-05	
  Su_fes 1.3412e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 9; -equil 9;	
- X 8.9717e-04
+ X 1.1310e-03
 	
-SOLUTION 10; -water   1.6628e-04	
+SOLUTION 10; -water   1.5633e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 10; -equil 10;	
- Su_ 8.2200e-04  5.2840e+05   1.4212e-03	
+ Su_ 1.1691e-03  5.2840e+05   1.4212e-03	
  Su_ii 1.5994e-05	
  Su_fes 1.5019e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 10; -equil 10;	
- X 1.0047e-03
+ X 1.2665e-03
 	
-SOLUTION 11; -water   1.8407e-04	
+SOLUTION 11; -water   1.7306e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 11; -equil 11;	
- Su_ 9.0996e-04  5.2840e+05   1.5733e-03	
+ Su_ 1.2942e-03  5.2840e+05   1.5733e-03	
  Su_ii 1.7705e-05	
  Su_fes 1.6626e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 11; -equil 11;	
- X 1.1122e-03
+ X 1.4020e-03
 	
-SOLUTION 12; -water   2.0186e-04	
+SOLUTION 12; -water   1.8979e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 12; -equil 12;	
- Su_ 9.9791e-04  5.2840e+05   1.7253e-03	
+ Su_ 1.4192e-03  5.2840e+05   1.7253e-03	
  Su_ii 1.9416e-05	
  Su_fes 1.8233e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 12; -equil 12;	
- X 1.2197e-03
+ X 1.5375e-03
 	
-SOLUTION 13; -water   2.1966e-04	
+SOLUTION 13; -water   2.0651e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 13; -equil 13;	
- Su_ 1.0859e-03  5.2840e+05   1.8774e-03	
+ Su_ 1.5443e-03  5.2840e+05   1.8774e-03	
  Su_ii 2.1127e-05	
  Su_fes 1.9840e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 13; -equil 13;	
- X 1.3272e-03
+ X 1.6730e-03
 	
-SOLUTION 14; -water   2.3745e-04	
+SOLUTION 14; -water   2.2324e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 14; -equil 14;	
- Su_ 1.1738e-03  5.2840e+05   2.0295e-03	
+ Su_ 1.6694e-03  5.2840e+05   2.0295e-03	
  Su_ii 2.2839e-05	
  Su_fes 2.1448e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 14; -equil 14;	
- X 1.4347e-03
+ X 1.8085e-03
 	
-SOLUTION 15; -water   2.5524e-04	
+SOLUTION 15; -water   2.3997e-04	
  pH 7.6; pe 14 O2(g) -1.0; temp 23
  Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
  Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476	
 SURFACE 15; -equil 15;	
- Su_ 1.2618e-03  5.2840e+05   2.1815e-03	
+ Su_ 1.7945e-03  5.2840e+05   2.1815e-03	
  Su_ii 2.4550e-05	
  Su_fes 2.3055e-06	
- -Donnan 1.6711e-09	
+ -Donnan 1.6843e-09 viscosity calc correct  false	
 EXCHANGE 15; -equil 15;	
- X 1.5422e-03
+ X 1.9441e-03
 	
 
 # tracer-out filter cells...	
@@ -170,18 +170,18 @@ END
 
 # mixing factors...	
 MIX 3;           4  6.6932e-04	
-MIX 4;           5  1.9640e-04	
-MIX 5;           6  1.5725e-04	
-MIX 6;           7  1.8971e-04	
-MIX 7;           8  2.2216e-04	
-MIX 8;           9  2.5461e-04	
-MIX 9;          10  2.8706e-04	
-MIX 10;          11  3.1951e-04	
-MIX 11;          12  3.5196e-04	
-MIX 12;          13  3.8441e-04	
-MIX 13;          14  4.1686e-04	
-MIX 14;          15  4.4931e-04	
-MIX 15;          16  7.7653e-04	
+MIX 4;           5  1.9357e-04	
+MIX 5;           6  1.5439e-04	
+MIX 6;           7  1.8625e-04	
+MIX 7;           8  2.1811e-04	
+MIX 8;           9  2.4997e-04	
+MIX 9;          10  2.8183e-04	
+MIX 10;          11  3.1369e-04	
+MIX 11;          12  3.4555e-04	
+MIX 12;          13  3.7741e-04	
+MIX 13;          14  4.0927e-04	
+MIX 14;          15  4.4113e-04	
+MIX 15;          16  7.6509e-04	
 MIX 16;          17  4.2533e-03	        
 END	  
 TRANSPORT	
@@ -189,8 +189,8 @@ TRANSPORT
  -shifts 1120	
  -flow diff; -cells 1; -bcon 1 2; -stag 15	
  -time   1.5429e+03	
- -multi_D true   2.5000e-09  1.5900e-01 0.0 9.9000e-01	
- -interlayer_D false 0.001 0.0 1300	
+ -multi_D true   2.5000e-09  1.5900e-01 0.0 1	
+ -interlayer_D true 0.001 0.0 1300	
  -punch_fr 14; -punch_c 17	
 USER_GRAPH 1 Example 21
 	
@@ -206,42 +206,4 @@ USER_GRAPH 1 Example 21
  50 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) / dt /  8.2988e-03, color = Green, symbol = None	
  60 put(a, 2)	
  70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None	        
-END	  
-TRANSPORT	 
- -shifts 0	
- -punch_fr 2; -punch_c 3-17	
-USER_GRAPH 1; -detach	
-USER_GRAPH 5 Example 21
-	
- -chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"	
- -axis_scale x_axis 0 2.2220e+01	
- -axis_scale y_axis 0 1.2e-9	
- -axis_scale sy_axis 0 1.2e-9	
- -axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"	
- -headings Hto_free Hto_tot	
- -plot_concentration_vs x	
- -initial_solutions true	
- 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)	
- 20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60	
- 30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03	
- 40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03	
- 50 GOTO 200	
- 60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03	
- 70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90	
- 80 GOTO 200	
- 90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03	
- 100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03	
- 110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03	
- 200 y1 = TOT("Hto")	
- 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus	
- 220 IF cell_no = 3 THEN put(y1, 15)	
- 230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400	
- 240 y2 = SYS("Hto") / (tot("water") + edl("water"))	
- 250 REM y2 = y2 / 1.4281e+01# conc / kg solid	
- 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2	
- 270 IF (cell_no > 6) THEN GOTO 400	
- 280 IF 1 THEN plot_xy 1.8000e+00, get(15), color = Black, symbol = None	
- 290 IF 1 THEN plot_xy 2.0620e+01, get(15), color = Black, symbol = None	
- 300 put(0, 15)	
- 400 put(xval, 14)	        
 END	
diff --git a/poet/test/testPhreeqcEngine.cpp b/poet/test/testPhreeqcEngine.cpp
index 155e6c74..2972aa93 100644
--- a/poet/test/testPhreeqcEngine.cpp
+++ b/poet/test/testPhreeqcEngine.cpp
@@ -29,8 +29,8 @@ POET_TEST(PhreeqcEngineStep) {
   EXPECT_NO_THROW(engine.runCell(cell_values, 100));
 
   for (std::size_t i = 0; i < cell_values.size(); ++i) {
-    // ignore H(0) and O(0)
-    if (i == 4 || i == 5) {
+    // ignore Charge, H(0) and O(0)
+    if (i >= 3 && i <= 5) {
       continue;
     }
     EXPECT_NEAR(cell_values[i], base_test::expected_values[i],
diff --git a/src/IPhreeqc.cpp b/src/IPhreeqc.cpp
index f244839c..27ace0a5 100644
--- a/src/IPhreeqc.cpp
+++ b/src/IPhreeqc.cpp
@@ -892,7 +892,7 @@ void IPhreeqc::SetBasicCallback(double (*fcn)(double x1, double x2, const char *
 	this->PhreeqcPtr->register_basic_callback(fcn, cookie1);
 }
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-void IPhreeqc::SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, char *str, size_t l))
+void IPhreeqc::SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	this->PhreeqcPtr->register_fortran_basic_callback(fcn);
 }
@@ -1017,8 +1017,13 @@ int IPhreeqc::test_db(void)
 {
 	std::ostringstream oss;
 	int sn = this->PhreeqcPtr->next_user_number(Keywords::KEY_SOLUTION);
-	oss << "SOLUTION " << sn <<"; DELETE; -solution " << sn;
-
+	//oss << "SOLUTION " << sn <<"; DELETE; -solution " << sn;
+	oss << "SOLUTION " << sn << ";";
+	if (this->PhreeqcPtr->llnl_temp.size() > 0)
+	{
+		oss << "-temp " << this->PhreeqcPtr->llnl_temp[0] << ";";
+	}
+	oss << "DELETE; -solution " << sn;
 	this->PhreeqcPtr->set_reading_database(TRUE);
 	int n = this->RunString(oss.str().c_str());
 	this->PhreeqcPtr->set_reading_database(FALSE);
diff --git a/src/IPhreeqc.h b/src/IPhreeqc.h
index 4c04c426..6be24c24 100644
--- a/src/IPhreeqc.h
+++ b/src/IPhreeqc.h
@@ -6,6 +6,10 @@
 
 #include "Var.h"
 
+#ifdef IPHREEQC_NO_FORTRAN_MODULE
+#include <stddef.h>
+#endif
+
 /**
  * @mainpage IPhreeqc Library Documentation (@PHREEQC_VER@-@REVISION_SVN@)
  *
@@ -1707,7 +1711,7 @@ Headings
  *  @include ic
  */
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-	IPQ_DLL_EXPORT IPQ_RESULT  SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, char *str, size_t l));
+	IPQ_DLL_EXPORT IPQ_RESULT  SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, const char *str, size_t l));
 #else
 	IPQ_DLL_EXPORT IPQ_RESULT  SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, const char *str, int l));
 #endif
diff --git a/src/IPhreeqc.hpp b/src/IPhreeqc.hpp
index b80419ab..36c3a6ae 100644
--- a/src/IPhreeqc.hpp
+++ b/src/IPhreeqc.hpp
@@ -718,7 +718,7 @@ public:
 	 *  @see                    SetBasicCallback
 	 */
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-	void                     SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, char *str, size_t l));
+	void                     SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, const char *str, size_t l));
 #else
 	void                     SetBasicFortranCallback(double (*fcn)(double *x1, double *x2, const char *str, int l));
 #endif
diff --git a/src/IPhreeqcLib.cpp b/src/IPhreeqcLib.cpp
index b57755ab..d0a3f0ba 100644
--- a/src/IPhreeqcLib.cpp
+++ b/src/IPhreeqcLib.cpp
@@ -802,7 +802,7 @@ SetBasicCallback(int id, double (*fcn)(double x1, double x2, const char *str, vo
 #if !defined(R_SO)
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
 IPQ_RESULT
-SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, char *str, size_t l))
+SetBasicFortranCallback(int id, double (*fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
 	if (IPhreeqcPtr)
diff --git a/src/IPhreeqc_interface_F.cpp b/src/IPhreeqc_interface_F.cpp
index e25590fb..4063d748 100644
--- a/src/IPhreeqc_interface_F.cpp
+++ b/src/IPhreeqc_interface_F.cpp
@@ -414,7 +414,7 @@ RunStringF(int *id, char* input)
 }
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
 IPQ_RESULT
-SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, char *str, size_t l))
+SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	return ::SetBasicFortranCallback(*id, fcn);
 }
diff --git a/src/IPhreeqc_interface_F.h b/src/IPhreeqc_interface_F.h
index d3fe29ec..3e77604f 100644
--- a/src/IPhreeqc_interface_F.h
+++ b/src/IPhreeqc_interface_F.h
@@ -133,7 +133,7 @@ extern "C" {
   IPQ_DLL_EXPORT int        RunFileF(int *id, char* filename);
   IPQ_DLL_EXPORT int        RunStringF(int *id, char* input);
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-  IPQ_DLL_EXPORT IPQ_RESULT SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, char *str, size_t l));
+  IPQ_DLL_EXPORT IPQ_RESULT SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, const char *str, size_t l));
 #else
   IPQ_DLL_EXPORT IPQ_RESULT SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, const char *str, int l));
 #endif
diff --git a/src/README.Fortran b/src/README.Fortran
index 408ac795..bb5ca2dd 100644
--- a/src/README.Fortran
+++ b/src/README.Fortran
@@ -1,17 +1,17 @@
-In Fortran, you will need to include the source file IPhreeqc_interface.F90
-in your project files. This file defines the IPhreeqc Fortran module. This
-is the preferred method to use IPhreeqc from a Fortran program.
-
-     USE IPhreeqc
-     INTEGER(KIND=4) id
-     id = CreateIPhreeqc()
-
-Use of the include files IPhreeqc.f.inc and IPhreeqc.f90.inc has been
-deprecated. To continue using them you must unset IPHREEQC_ENABLE_MODULE in
-CMake builds or use the --disable-fortran-module in configure builds. If 
-either of these settings are used the Fortran include files will be
-installed to the include directory.
-
-     INCLUDE 'IPhreeqc.f90.inc'
-     INTEGER(KIND=4) id
-     id = CreateIPhreeqc()
+In Fortran, you will need to include the source file IPhreeqc_interface.F90
+in your project files. This file defines the IPhreeqc Fortran module. This
+is the preferred method to use IPhreeqc from a Fortran program.
+
+     USE IPhreeqc
+     INTEGER(KIND=4) id
+     id = CreateIPhreeqc()
+
+Use of the include files IPhreeqc.f.inc and IPhreeqc.f90.inc has been
+deprecated. To continue using them you must unset IPHREEQC_ENABLE_MODULE in
+CMake builds or use the --disable-fortran-module in configure builds. If 
+either of these settings are used the Fortran include files will be
+installed to the include directory.
+
+     INCLUDE 'IPhreeqc.f90.inc'
+     INTEGER(KIND=4) id
+     id = CreateIPhreeqc()
diff --git a/src/fimpl.h b/src/fimpl.h
index de9eb214..eddf5a45 100644
--- a/src/fimpl.h
+++ b/src/fimpl.h
@@ -208,7 +208,7 @@ IPQ_DLL_EXPORT int  IPQ_DECL IPQ_CASE_UND(runstring, RUNSTRING, runstring_, RUNS
 {
 	return RunStringF(id, input, len);
 }
-IPQ_DLL_EXPORT int  IPQ_DECL IPQ_CASE_UND(setbasicfortrancallback, SETBASICFORTRANCALLBACK, setbasicfortrancallback_, SETBASICFORTRANCALLBACK_)(int *id, double (*fcn)(double *x1, double *x2, char *str, size_t l))
+IPQ_DLL_EXPORT int  IPQ_DECL IPQ_CASE_UND(setbasicfortrancallback, SETBASICFORTRANCALLBACK, setbasicfortrancallback_, SETBASICFORTRANCALLBACK_)(int *id, double (*fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	return SetBasicFortranCallbackF(id, fcn);
 }
diff --git a/src/fwrap.cpp b/src/fwrap.cpp
index bdec8e5a..6903c4f8 100644
--- a/src/fwrap.cpp
+++ b/src/fwrap.cpp
@@ -482,7 +482,7 @@ RunStringF(int *id, char* input, size_t input_length)
 }
 
 IPQ_RESULT
-SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, char *str, size_t l))
+SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	return ::SetBasicFortranCallback(*id, fcn);
 }
diff --git a/src/fwrap.h b/src/fwrap.h
index c95758d0..b4449f30 100644
--- a/src/fwrap.h
+++ b/src/fwrap.h
@@ -135,7 +135,7 @@ extern "C" {
   int        RunAccumulatedF(int *id);
   int        RunFileF(int *id, char* filename, size_t filename_length);
   int        RunStringF(int *id, char* input, size_t input_length);
-  IPQ_RESULT SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, char *str, size_t l));
+  IPQ_RESULT SetBasicFortranCallbackF(int *id, double (*fcn)(double *x1, double *x2, const char *str, size_t l));
   IPQ_RESULT SetCurrentSelectedOutputUserNumberF(int *id, int *n);
   IPQ_RESULT SetDumpFileNameF(int *id, char* fname, size_t fname_length);
   IPQ_RESULT SetDumpFileOnF(int *id, int* dump_on);
diff --git a/src/phreeqcpp/PBasic.cpp b/src/phreeqcpp/PBasic.cpp
index 86c60359..0b7b68dc 100644
--- a/src/phreeqcpp/PBasic.cpp
+++ b/src/phreeqcpp/PBasic.cpp
@@ -24,6 +24,16 @@
 #define toklength       20
 typedef long chset[9];
 
+#if defined(_MSC_VER) && (_MSC_VER <= 1400) // VS2005
+#  define nullptr NULL
+#endif
+
+#if __cplusplus < 201103L // Check if C++ standard is pre-C++11
+#  ifndef nullptr
+#    define nullptr NULL
+#  endif
+#endif
+
 #if defined(PHREEQCI_GUI)
 #ifdef _DEBUG
 #define new DEBUG_NEW
@@ -1346,6 +1356,9 @@ listtokens(FILE * f, tokenrec * l_buf)
 		case tokget:
 			output_msg("GET");
 			break;
+		case tokget_:
+			output_msg("GET$");
+			break;
 		case tokget_por:
 			output_msg("GET_POR");
 			break;
@@ -1452,6 +1465,18 @@ listtokens(FILE * f, tokenrec * l_buf)
 		case tokparm:
 			output_msg("PARM");
 			break;
+		case tokrate_pk:
+			output_msg("RATE_PK");
+			break;
+		case tokrate_svd:
+			output_msg("RATE_SVD");
+			break;
+		case tokrate_hermanska:
+			output_msg("RATE_HERMANSKA");
+			break;
+		case tokmeang:
+			output_msg("MEANG");
+			break;
 		case tokpercent_error:
 			output_msg("PERCENT_ERROR");
 			break;
@@ -1488,6 +1513,9 @@ listtokens(FILE * f, tokenrec * l_buf)
 		case tokput:
 			output_msg("PUT");
 			break;
+		case tokput_:
+			output_msg("PUT$");
+			break;
 		case tokqbrn:
 			output_msg("QBrn"); // Q_Born, d(eps_r)/d(P)/(eps_r^2)
 			break;
@@ -1530,6 +1558,14 @@ listtokens(FILE * f, tokenrec * l_buf)
 		case tokspecies_formula_:
 			output_msg("SPECIES_FORMULA$");
 			break;
+		case tokphase_equation:
+		case tokphase_equation_:
+			output_msg("PHASE_EQUATION$");
+			break;
+		case tokspecies_equation:
+		case tokspecies_equation_:
+			output_msg("SPECIES_EQUATION$");
+			break;
 		case toksr:
 			output_msg("SR");
 			break;
@@ -2660,6 +2696,51 @@ factor(struct LOC_exec * LINK)
 	}
 	break;
 
+	case tokget_:
+	{
+		std::ostringstream oss;
+		require(toklp, LINK);
+
+		/* get first subscript */
+		if (LINK->t != NULL && LINK->t->kind != tokrp)
+		{
+			i = intexpr(LINK);
+			oss << i << ",";
+		}
+
+		/* get other subscripts */
+		for (;;)
+		{
+			if (LINK->t != NULL && LINK->t->kind == tokcomma)
+			{
+				LINK->t = LINK->t->next;
+				j = intexpr(LINK);
+				oss << j << ",";
+			}
+			else
+			{
+				/* get right parentheses */
+				require(tokrp, LINK);
+				break;
+			}
+		}
+		if (parse_all)
+		{
+			n.UU.val = 1;
+		}
+		else
+		{
+			n.stringval = true;
+			n.UU.sval = (char*)PhreeqcPtr->PHRQ_calloc(256, sizeof(char));
+			if (n.UU.sval == NULL)
+				PhreeqcPtr->malloc_error();
+			std::map<std::string, std::string>::iterator it = PhreeqcPtr->save_strings.find(oss.str());
+			n.UU.sval = (it == PhreeqcPtr->save_strings.end()) ? strcpy(n.UU.sval, "unknown") :
+				strcpy(n.UU.sval, it->second.c_str());
+		}
+		break;
+	}
+
 	case tokget:
 	{
 		std::ostringstream oss;
@@ -2699,7 +2780,6 @@ factor(struct LOC_exec * LINK)
 		}
 		break;
 	}
-
 	case tokget_por:
 	{
 		i = intfactor(LINK);
@@ -3149,13 +3229,15 @@ factor(struct LOC_exec * LINK)
 	case tokpad_:
 	case tokpad:
 	{
+		char* str;
 		n.stringval = true;
 		require(toklp, LINK);
-		string1 = stringfactor(STR1, LINK);
+		str = strexpr(LINK);
 		require(tokcomma, LINK);
 		i = intexpr(LINK);
 		require(tokrp, LINK);
-		n.UU.sval = PhreeqcPtr->string_pad(string1, i);
+		n.UU.sval = PhreeqcPtr->string_pad(str, i);
+		PhreeqcPtr->PHRQ_free(str);
 	}
 	break;
 
@@ -3177,6 +3259,464 @@ factor(struct LOC_exec * LINK)
 	}
 	break;
 
+	case tokrate_pk:
+	{
+		require(toklp, LINK);
+		char* min_name = strexpr(LINK);
+		require(tokrp, LINK);
+		if (parse_all) {
+			PhreeqcPtr->PHRQ_free(min_name);
+			n.UU.val = 1;
+			break;
+		}
+		std::string min_string = min_name;
+		PhreeqcPtr->PHRQ_free(min_name);
+		Utilities::str_tolower(min_string);
+		std::map<std::string, std::vector<double> >::const_iterator it = PhreeqcPtr->rate_parameters_pk.find(min_string);
+		if (it == PhreeqcPtr->rate_parameters_pk.end())
+		{
+			std::ostringstream oss;
+			oss << "PK rate parameters not found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+		//if (it->second.size() != 8)
+		//{
+		//	std::ostringstream oss;
+		//	oss << "RATE_PK requires 8 rate parameters, " << it->second.size() << " were found for " << min_name << "\n";
+		//	snerr(oss.str().c_str());
+		//}
+		// temperature factor, gas constant
+		double dif_temp = 1.0 / PhreeqcPtr->tk_x - 1.0 / 298.15;
+		double dT_R = dif_temp / (2.303 * 8.314e-3);
+		int Table = 0;
+		double rate_H = 0.0, rate_H2O = 0.0, rate_OH = 0.0;
+		double lgk_H = -30.0, lgk_H2O = -30.0, lgk_OH = -30.0;
+		if (it->second.size() > 8)
+			Table = (int) it->second.back();
+
+		switch (Table)
+		{
+		case 0:
+			if (it->second.size() != 8)
+			{
+				std::ostringstream oss;
+				oss << "Expected 8 rate parameters, " << it->second.size() << " were found for " << min_name << "\n";
+				snerr(oss.str().c_str());
+			}
+			break;
+		case 33:
+			if (it->second.size() != 9)
+			{
+				std::ostringstream oss;
+				oss << "Expected 8 rate parameters for table 33 mineral. " << it->second.size() - 1 << " were found for " << min_name << ".\n";
+				snerr(oss.str().c_str());
+			}
+			break;
+		case 35:
+			if (it->second.size() != 11)
+			{
+				std::ostringstream oss;
+				oss << "Expected 10 rate parameters for table 35 mineral. " << it->second.size() - 1 << " were found for " << min_name << ".\n";
+				snerr(oss.str().c_str());
+			}
+			break;
+		default:
+		{
+			std::ostringstream oss;
+			oss << "Unknown table value " << Table << " for " << min_name << ".";
+			snerr(oss.str().c_str());
+		}
+		break;
+		}
+		switch (Table)
+		{
+		case 0:
+			// rate by H+
+			if ((lgk_H = it->second[0]) > -30)
+			{
+				double e_H = it->second[1];
+				double nH = it->second[2];
+				rate_H = pow(10.0, lgk_H - e_H * dT_R) * pow(PhreeqcPtr->activity("H+"), nH);
+			}
+			// rate by hydrolysis
+			if ((lgk_H2O = it->second[3]) > -30)
+			{
+				double e_H2O = it->second[4];
+				rate_H2O = pow(10.0, lgk_H2O - e_H2O * dT_R);
+			}
+			//	 rate by OH-
+			if ((lgk_OH = it->second[5]) > -30)
+			{
+				double e_OH = it->second[6];
+				double n_OH = it->second[7];
+				rate_OH = pow(10.0, lgk_OH - e_OH * dT_R) * pow(PhreeqcPtr->activity("H+"), n_OH);
+			}
+			break;
+		case 33:
+			// rate by H+
+			if ((lgk_H = it->second[0]) > -30)
+			{
+				double e_H = it->second[1];
+				double nH = it->second[2];
+				rate_H = pow(10.0, lgk_H - e_H * dT_R) * pow(PhreeqcPtr->activity("H+"), nH);
+			}
+			// rate by hydrolysis
+			if ((lgk_H2O = it->second[3]) > -30)
+			{
+				double e_H2O = it->second[4];
+				rate_H2O = pow(10.0, lgk_H2O - e_H2O * dT_R);
+			}
+			//	 rate by P_CO2
+			if ((lgk_OH = it->second[5]) > -30)
+			{
+				double e_OH = it->second[6];
+				double n_PCO2 = it->second[7];
+				rate_OH = pow(10.0, lgk_OH - e_OH * dT_R) * pow(PhreeqcPtr->saturation_ratio("CO2(g)"), n_PCO2);
+			}
+			break;
+		case 35:
+			// rate by H+ and Fe+3
+			if ((lgk_H = it->second[0]) > -30)
+			{
+				double e_H = it->second[1];
+				double nH = it->second[2];
+				double nFe = it->second[3];
+				rate_H = pow(10.0, lgk_H - e_H * dT_R) * pow(PhreeqcPtr->activity("H+"), nH) * pow(PhreeqcPtr->activity("Fe+3"), nFe);
+			}
+			// rate by hydrolysis and O2
+			if ((lgk_H2O = it->second[4]) > -30)
+			{
+				double e_H2O = it->second[5];
+				double n_O2 = it->second[6];
+				rate_H2O = pow(10.0, lgk_H2O - e_H2O * dT_R) * pow(PhreeqcPtr->activity("O2"), n_O2);
+			}
+			//	 rate by OH-
+			if ((lgk_OH = it->second[7]) > -30)
+			{
+				double e_OH = it->second[8];
+				double n_OH = it->second[9];
+				rate_OH = pow(10.0, lgk_OH - e_OH * dT_R) * pow(PhreeqcPtr->activity("H+"), n_OH);
+			}
+			break;
+		}
+		// sum rates
+		double rate = rate_H + rate_H2O + rate_OH;
+		n.UU.val = rate;
+		//	# affinity_factor m ^ 2 / mol roughness, lgkH  e_H  nH, lgkH2O e_H2O, lgkOH e_OH nOH
+		//		# parm number  1       2          3, 4    5   6, 7     8, 9     10  11
+		//		10  affinity = get(-99, 1) # retrieve number from memory
+		//		20
+		//		30  REM # specific area m2 / mol, surface roughness
+		//		40  sp_area = get(-99, 2) : roughness = get(-99, 3)
+		//		50
+		//		60  REM # temperature factor, gas constant
+		//		70  dif_temp = 1 / TK - 1 / 298 : R = 2.303 * 8.314e-3 : dT_R = dif_temp / R
+		//		80
+		//		90  REM # rate by H +
+		//		100 lgk_H = get(-99, 4) : e_H = get(-99, 5) : nH = get(-99, 6)
+		//		110 rate_H = 10 ^ (lgk_H - e_H * dT_R) * ACT("H+") ^ nH
+		//		120
+		//		130 REM # rate by hydrolysis
+		//		140 lgk_H2O = get(-99, 7) : e_H2O = get(-99, 8)
+		//		150 rate_H2O = 10 ^ (lgk_H2O - e_H2O * dT_R)
+		//		160
+		//		170 REM # rate by OH -
+		//		180 lgk_OH = get(-99, 9) : e_OH = get(-99, 10) : nOH = get(-99, 11)
+		//		190 rate_OH = 10 ^ (lgk_OH - e_OH * dT_R) * ACT("H+") ^ nOH
+		//		200
+		//		210 rate = rate_H + rate_H2O + rate_OH
+		//		220 area = sp_area * M0 * (M / M0) ^ 0.67
+		//		230
+		//		240 rate = area * roughness * rate * affinity
+		//		250 SAVE rate * TIME
+		//		-end
+	}
+	break;
+	case tokrate_svd:
+	{
+		require(toklp, LINK);
+		char* min_name = strexpr(LINK);
+		require(tokrp, LINK);
+		if (parse_all) {
+			PhreeqcPtr->PHRQ_free(min_name);
+			n.UU.val = 1;
+			break;
+		}
+		std::string min_string = min_name;
+		PhreeqcPtr->PHRQ_free(min_name);
+		Utilities::str_tolower(min_string);
+		std::map<std::string, std::vector<double> >::const_iterator it = PhreeqcPtr->rate_parameters_svd.find(min_string);
+		if (it == PhreeqcPtr->rate_parameters_svd.end())
+		{
+			std::ostringstream oss;
+			oss << "SVD rate parameters not found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+		if (it->second.size() != 31)
+		{
+			std::ostringstream oss;
+			oss << "RATE_SVD requires 31 rate parameters, " << it->second.size() << " were found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+
+		// temperature factor, gas constant
+		double dif_temp = 1.0 / PhreeqcPtr->tk_x - 1.0 / 281.0;
+		double e_H = it->second[0];
+		double e_H2O = it->second[1];
+		double e_CO2 = it->second[2];
+		double e_OA = it->second[3];
+		double e_OH = it->second[4];
+
+		double BC = PhreeqcPtr->activity("Na+") + PhreeqcPtr->activity("K+") +
+			PhreeqcPtr->activity("Mg+2") + PhreeqcPtr->activity("Ca+2");
+		double aAl = PhreeqcPtr->activity("Al+3");
+		double aSi = PhreeqcPtr->activity("H4SiO4") + PhreeqcPtr->activity("SiO2");
+		double R = PhreeqcPtr->total("Organicmatter");
+		//	rate by H +
+		double pkH = it->second[5];
+		double nH = it->second[6];
+		double yAl = it->second[7];
+		double CAl = it->second[8];
+		double xBC = it->second[9];
+		double CBC = it->second[10];
+		double pk_H = pkH - 3.0 + e_H * dif_temp;
+		CAl *= 1e-6;
+		CBC *= 1e-6;
+		double rate_H = pow(10.0, -pk_H) * pow(PhreeqcPtr->activity("H+"), nH) / 
+			(pow(1.0 + aAl / CAl, yAl) * pow(1.0 + BC / CBC, xBC));
+		//	rate by hydrolysis
+		double pkH2O = it->second[11];
+		yAl = it->second[12];
+		CAl = it->second[13];
+		xBC = it->second[14];
+		CBC = it->second[15];
+		double zSi = it->second[16];
+		double CSi = it->second[17];
+		CAl *= 1e-6;
+		CBC *= 1e-6;
+		CSi *= 1e-6;
+		double pk_H2O = pkH2O - 3.0 + e_H2O * dif_temp;
+		double rate_H2O = pow(10.0, -pk_H2O) / (pow(1.0 + aAl / CAl, yAl) * pow(1.0 + BC / CBC, xBC) * pow(1.0 + aSi / CSi, zSi));
+		//	rate by CO2
+		double pKCO2 = it->second[18];
+		double nCO2 = it->second[19];
+		double pk_CO2 = pKCO2 - 3.0 + e_CO2 * dif_temp;
+		double rate_CO2 = pow(10.0, -pk_CO2) * pow(PhreeqcPtr->saturation_ratio("CO2(g)"), nCO2);
+		//	rate by Organic Acids
+		double pkOrg = it->second[20];
+		double nOrg = it->second[21];
+		double COrg = it->second[22];
+		COrg *= 1e-6;
+		double pk_Org = pkOrg - 3.0 + e_OA * dif_temp;
+		double rate_Org = pow(10.0, -pkOrg) * pow(R / (1 + R / COrg), nOrg);
+		//	rate by OH-
+		double pkOH = it->second[23];
+		double wOH = it->second[24];
+		yAl = it->second[25];
+		CAl = it->second[26];
+		xBC = it->second[27];
+		CBC = it->second[28];
+		zSi = it->second[29];
+		CSi = it->second[30];
+		CAl *= 1e-6;
+		CBC *= 1e-6;
+		CSi *= 1e-6;
+		double pk_OH = pkOH - 3.0 + e_OH * dif_temp;
+		double rate_OH = pow(10.0, -pk_OH) * pow(PhreeqcPtr->activity("OH-"), wOH) /
+			(pow(1.0 + aAl / CAl, yAl) * pow(1.0 + BC / CBC, xBC) * pow(1.0 + aSi / CSi, zSi));
+		// sum rates
+		double rate = rate_H + rate_H2O + rate_CO2 + rate_Org + rate_OH;
+		n.UU.val = rate;
+		//	Sverdrup_rate
+		//		# in KINETICS, define 34 parms:
+		//	#          affinity m ^ 2 / mol roughness, temperature_factors(TABLE 4) : e_H e_H2O e_CO2 e_OA e_OH, \
+		//# (TABLE 3): pkH  nH yAl CAl xBC CBC,   pKH2O yAl CAl xBC CBC zSi CSi,  pKCO2 nCO2  pkOrg nOrg COrg, pkOH wOH yAl CAl xBC CBC zSi CSi
+		//		10  affinity = get(-99, 1)
+		//		20
+		//		30  REM # specific area m2 / mol, surface roughness
+		//		40  sp_area = get(-99, 2) : roughness = get(-99, 3)
+		//		50
+		//		60  REM # temperature factors
+		//		70  dif_temp = 1 / TK - 1 / 281
+		//		80  e_H = get(-99, 4) : e_H2O = get(-99, 5) : e_CO2 = get(-99, 6) : e_OA = get(-99, 7) : e_OH = get(-99, 8)
+		//		90
+		//		100 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
+		//		110 aAl = act("Al+3")
+		//		120 aSi = act("H4SiO4")
+		//		130 R = tot("OrganicMatter")
+		//		140
+		//		150 REM # rate by H +
+		//		160 pkH = get(-99, 9) : nH = get(-99, 10) : yAl = get(-99, 11) : CAl = get(-99, 12) : xBC = get(-99, 13) : CBC = get(-99, 14)
+		//		170 pk_H = pkH - 3 + e_H * dif_temp
+		//		180 CAl = CAl * 1e-6
+		//		190 CBC = CBC * 1e-6
+		//		200 rate_H = 10 ^ -pk_H * ACT("H+") ^ nH / ((1 + aAl / CAl) ^ yAl * (1 + BC / CBC) ^ xBC)
+		//		210
+		//		220 REM # rate by hydrolysis
+		//		230 pkH2O = get(-99, 15) : yAl = get(-99, 16) : CAl = get(-99, 17) : xBC = get(-99, 18) : CBC = get(-99, 19) : zSi = get(-99, 20) : CSi = get(-99, 21)
+		//		240 CAl = CAl * 1e-6
+		//		250 CBC = CBC * 1e-6
+		//		260 CSi = CSi * 1e-6
+		//		270 pk_H2O = pkH2O - 3 + e_H2O * dif_temp
+		//		280 rate_H2O = 10 ^ -pk_H2O / ((1 + aAl / CAl) ^ yAl * (1 + BC / CBC) ^ xBC * (1 + aSi / CSi) ^ zSi)
+		//		290
+		//		300 REM # rate by CO2
+		//		310 pKCO2 = get(-99, 22) : nCO2 = get(-99, 23)
+		//		320 pk_CO2 = pkCO2 - 3 + e_CO2 * dif_temp
+		//		330 rate_CO2 = 10 ^ -pk_CO2 * SR("CO2(g)") ^ nCO2
+		//		340
+		//		350 REM # rate by Organic Acids
+		//		360 pkOrg = get(-99, 24) : nOrg = get(-99, 25) : COrg = get(-99, 26)
+		//		370 COrg = COrg * 1e-6
+		//		380 pk_Org = pkOrg - 3 + e_OA * dif_temp
+		//		390 rate_Org = 10 ^ -pk_Org * (R / (1 + R / COrg)) ^ nOrg
+		//		400
+		//		410 REM # rate by OH -
+		//		420 pkOH = get(-99, 27) : wOH = get(-99, 28) : yAl = get(-99, 29) : CAl = get(-99, 30) : xBC = get(-99, 31) : CBC = get(-99, 32) : zSi = get(-99, 33) : CSi = get(-99, 34)
+		//		430 CAl = CAl * 1e-6
+		//		440 CBC = CBC * 1e-6
+		//		450 CSi = CSi * 1e-6
+		//		460 pk_OH = pkOH - 3 + e_OH * dif_temp
+		//		470 rate_OH = 10 ^ -pk_OH * ACT("OH-") ^ wOH / ((1 + aAl / CAl) ^ yAl * (1 + BC / CBC) ^ xBC * (1 + aSi / CSi) ^ zSi)#  : print rate_OH
+		//		480
+		//		490 rate = rate_H + rate_H2O + rate_CO2 + rate_Org + rate_OH
+		//		500 area = sp_area * M0 * (M / M0) ^ 0.67
+		//		510
+		//		520 rate = roughness * area * rate * affinity
+		//		530 SAVE rate * TIME
+		//		- end
+	}
+	break;
+
+	case tokrate_hermanska:
+	{
+		require(toklp, LINK);
+		char* min_name = strexpr(LINK);
+		require(tokrp, LINK);
+		if (parse_all) {
+			PhreeqcPtr->PHRQ_free(min_name);
+			n.UU.val = 1;
+			break;
+		}
+		std::string min_string = min_name;
+		PhreeqcPtr->PHRQ_free(min_name);
+		Utilities::str_tolower(min_string);
+		std::map<std::string, std::vector<double> >::const_iterator it = PhreeqcPtr->rate_parameters_hermanska.find(min_string);
+		if (it == PhreeqcPtr->rate_parameters_hermanska.end())
+		{
+			std::ostringstream oss;
+			oss << "Hermanska rate parameters not found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+		if (it->second.size() != 11)
+		{
+			std::ostringstream oss;
+			oss << "RATE_HERMANSKA requires 11 rate parameters, " << it->second.size() << " were found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+		//	gas constant * Tk, act("H+")
+		double RT = 8.314e-3 * PhreeqcPtr->tk_x;
+		double aH = PhreeqcPtr->activity("H+");
+
+		//	rate by H+
+		double lgk_H = it->second[0];
+		double Aa = it->second[1];
+		double e_H = it->second[2];
+		double nH = it->second[3];
+		double rate_H = Aa * exp(-e_H / RT) * pow(aH, nH);
+
+		//	rate by hydrolysis
+		double rate_H2O = 0.0, lgk_H2O = it->second[4];
+		if (lgk_H2O)
+		{
+			double Ab = it->second[5];
+			double e_H2O = it->second[6];
+			rate_H2O = Ab * exp(-e_H2O / RT);
+		}
+
+		//	rate by OH-
+		//	180 lgk_OH = get(-99, 11) : Ac = get(-99, 12) : e_OH = get(-99, 13) : nOH = get(-99, 14)
+		//	190 rate_OH = Ac * exp(-e_OH / RT) * aH ^ nOH
+		double  rate_OH = 0.0, lgk_OH = it->second[7];
+		if (lgk_OH)
+		{
+			double Ac = it->second[8];
+			double e_OH = it->second[9];
+			double nOH = it->second[10];
+			rate_OH = Ac * exp(-e_OH / RT) * pow(aH, nOH);
+		}
+		// sum rates
+		double rate = rate_H + rate_H2O + rate_OH;
+		n.UU.val = rate;
+
+//		Hermanska_rate
+//			# in KINETICS, define 14 parms:
+//		# parms affinity m ^ 2 / mol roughness, (TABLE 2) : (acid)logk25 Aa Ea na(neutral)logk25 Ab Eb(basic)logk25 Ac Ec nc
+//# (Note that logk25 values are not used, they were transformed to A's.)
+//	10  affinity = get(-99, 1) # retrieve number from memory
+//	20
+//	30  REM # specific area m2 / mol, surface roughness
+//	40  sp_area = get(-99, 2) : roughness = get(-99, 3)
+//	50
+//	60  REM # gas constant * Tk, act("H+")
+//	70  RT = 8.314e-3 * TK     : aH = act("H+")
+//	80
+//	90  REM # rate by H +
+//	100 lgk_H = get(-99, 4) : Aa = get(-99, 5) : e_H = get(-99, 6) : nH = get(-99, 7)
+//	110 rate_H = Aa * exp(-e_H / RT) * aH ^ nH
+//	120
+//	130 REM # rate by hydrolysis
+//	140 lgk_H2O = get(-99, 8) : Ab = get(-99, 9) : e_H2O = get(-99, 10)
+//	150 rate_H2O = Ab * exp(-e_H2O / RT)
+//	160
+//	170 REM # rate by OH -
+//	180 lgk_OH = get(-99, 11) : Ac = get(-99, 12) : e_OH = get(-99, 13) : nOH = get(-99, 14)
+//	190 rate_OH = Ac * exp(-e_OH / RT) * aH ^ nOH
+//	200
+//	210 rate = rate_H + rate_H2O + rate_OH
+//	220 area = sp_area * M0 * (M / M0) ^ 0.67
+//	230
+//	240 rate = area * roughness * rate * affinity
+//	250 SAVE rate * TIME
+//	- end
+
+	}
+	break;
+
+	case tokmeang:
+	{
+		require(toklp, LINK);
+		char* min_name = strexpr(LINK);
+		require(tokrp, LINK);
+		if (parse_all) {
+			PhreeqcPtr->PHRQ_free(min_name);
+			n.UU.val = 1;
+			break;
+		}
+		std::string min_string = min_name;
+		PhreeqcPtr->PHRQ_free(min_name);
+		Utilities::str_tolower(min_string);
+		std::map<std::string, cxxNameDouble>::const_iterator it = PhreeqcPtr->mean_gammas.find(min_string);
+		if (it == PhreeqcPtr->mean_gammas.end() || it->second.size() == 0)
+		{
+			std::ostringstream oss;
+			oss << "No definition in MEAN_GAMMAS found for " << min_name << "\n";
+			snerr(oss.str().c_str());
+		}
+
+		double mg = 1.0;
+		double sum = 0.0;
+		cxxNameDouble::const_iterator it_nd = it->second.begin();
+		for (; it_nd != it->second.end(); it_nd++)
+		{
+			double g = PhreeqcPtr->activity_coefficient(it_nd->first.c_str());
+			mg *= pow(g, it_nd->second);
+			sum += it_nd->second;
+		}
+		mg = pow(mg, 1.0 / sum);
+		n.UU.val = mg;
+	}
+	break;
 	case tokpercent_error:
 	{
 		n.UU.val = (parse_all) ? 1 : 100 * PhreeqcPtr->cb_x / PhreeqcPtr->total_ions_x;
@@ -3380,20 +3920,22 @@ factor(struct LOC_exec * LINK)
 
 	case toksetdiff_c:
 	{
-		double d;
+		double d, d_v_d = 0;
 
 		require(toklp, LINK);
 
 		const char* str = stringfactor(STR1, LINK);
 		require(tokcomma, LINK);
 
-		// double arugument
 		d = realexpr(LINK);
+		if (LINK->t != NULL && LINK->t->kind == tokcomma)
+		{
+			LINK->t = LINK->t->next;
+			d_v_d = realexpr(LINK);
+		}
 		require(tokrp, LINK);
 
-		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->setdiff_c(str, d);
-
-		//PhreeqcPtr->PHRQ_free((void *) str);
+		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->setdiff_c(str, d, d_v_d);
 	}
 	break;
 
@@ -3556,6 +4098,202 @@ factor(struct LOC_exec * LINK)
 	}
 	break;
 
+	case tokphase_equation:
+	case tokphase_equation_:
+	{
+		require(toklp, LINK);
+		std::string phase_name(stringfactor(STR1, LINK));
+		varrec* elts_varrec = NULL, * coef_varrec = NULL;
+		std::vector<std::pair<std::string, double> > stoichiometry;
+		/*
+		*  Parse arguments
+		*/
+		require(tokcomma, LINK);
+
+		count_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || count_varrec->stringvar != 0)
+			snerr(": Cannot find count variable");
+
+		/* return number of names of species */
+		LINK->t = LINK->t->next;
+		require(tokcomma, LINK);
+		elts_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || elts_varrec->stringvar != 1)
+			snerr(": Cannot find species string variable");
+
+		/* return coefficients of species */
+		LINK->t = LINK->t->next;
+		require(tokcomma, LINK);
+		coef_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || coef_varrec->stringvar != 0)
+			snerr(": Cannot find coefficient variable");
+		LINK->t = LINK->t->next;
+
+		require(tokrp, LINK);
+
+		free_dim_stringvar(elts_varrec);
+		PhreeqcPtr->free_check_null(coef_varrec->UU.U0.arr);
+		coef_varrec->UU.U0.arr = NULL;
+		/*
+		*  Call subroutine
+		*/
+		std::string eq = PhreeqcPtr->phase_equation(phase_name, stoichiometry);
+
+		// put type as return value
+		n.stringval = true;
+		n.UU.sval = PhreeqcPtr->string_duplicate(eq.c_str());
+
+		/*
+		*  fill in varrec structure
+		*/
+
+		size_t count = stoichiometry.size();
+		*count_varrec->UU.U0.val = (LDBLE)count;
+		/*
+		* malloc space
+		*/
+		elts_varrec->UU.U1.sarr = (char**)PhreeqcPtr->PHRQ_malloc((count + 1) * sizeof(char*));
+		if (elts_varrec->UU.U1.sarr == NULL)
+		{
+			PhreeqcPtr->malloc_error();
+#if !defined(R_SO)
+			exit(4);
+#endif
+		}
+		coef_varrec->UU.U0.arr = (LDBLE*)PhreeqcPtr->PHRQ_malloc((count + 1) * sizeof(LDBLE));
+		if (coef_varrec->UU.U0.arr == NULL)
+		{
+			PhreeqcPtr->malloc_error();
+#if !defined(R_SO)
+			exit(4);
+#endif
+		}
+
+		// first position not used
+		elts_varrec->UU.U1.sarr[0] = NULL;
+		coef_varrec->UU.U0.arr[0] = 0;
+
+		// set dims for Basic array
+		for (i = 0; i < maxdims; i++)
+		{
+			elts_varrec->dims[i] = 0;
+			coef_varrec->dims[i] = 0;
+		}
+		// set dims for first dimension and number of dims
+		elts_varrec->dims[0] = (long)(count + 1);
+		coef_varrec->dims[0] = (long)(count + 1);
+		elts_varrec->numdims = 1;
+		coef_varrec->numdims = 1;
+
+		// fill in arrays
+		i = 1;
+		for (std::vector<std::pair<std::string, double > >::iterator it = stoichiometry.begin(); it != stoichiometry.end(); it++)
+		{
+			elts_varrec->UU.U1.sarr[i] = PhreeqcPtr->string_duplicate((it->first).c_str());
+			coef_varrec->UU.U0.arr[i] = it->second;
+			i++;
+		}
+	}
+	break;
+
+	case tokspecies_equation:
+	case tokspecies_equation_:
+	{
+		require(toklp, LINK);
+		std::string species_name(stringfactor(STR1, LINK));
+		varrec* elts_varrec = NULL, * coef_varrec = NULL;
+		std::vector<std::pair<std::string, double> > stoichiometry;
+		/*
+		*  Parse arguments
+		*/
+		require(tokcomma, LINK);
+
+		count_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || count_varrec->stringvar != 0)
+			snerr(": Cannot find count variable");
+
+		/* return number of names of species */
+		LINK->t = LINK->t->next;
+		require(tokcomma, LINK);
+		elts_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || elts_varrec->stringvar != 1)
+			snerr(": Cannot find species string variable");
+
+		/* return coefficients of species */
+		LINK->t = LINK->t->next;
+		require(tokcomma, LINK);
+		coef_varrec = LINK->t->UU.vp;
+		if (LINK->t->kind != tokvar || coef_varrec->stringvar != 0)
+			snerr(": Cannot find coefficient variable");
+		LINK->t = LINK->t->next;
+
+		require(tokrp, LINK);
+
+		free_dim_stringvar(elts_varrec);
+		PhreeqcPtr->free_check_null(coef_varrec->UU.U0.arr);
+		coef_varrec->UU.U0.arr = NULL;
+		/*
+		*  Call subroutine
+		*/
+		std::string eq = PhreeqcPtr->species_equation(species_name, stoichiometry);
+
+		// put type as return value
+		n.stringval = true;
+		n.UU.sval = PhreeqcPtr->string_duplicate(eq.c_str());
+
+		/*
+		*  fill in varrec structure
+		*/
+
+		size_t count = stoichiometry.size();
+		*count_varrec->UU.U0.val = (LDBLE)count;
+		/*
+		* malloc space
+		*/
+		elts_varrec->UU.U1.sarr = (char**)PhreeqcPtr->PHRQ_malloc((count + 1) * sizeof(char*));
+		if (elts_varrec->UU.U1.sarr == NULL)
+		{
+			PhreeqcPtr->malloc_error();
+#if !defined(R_SO)
+			exit(4);
+#endif
+		}
+		coef_varrec->UU.U0.arr = (LDBLE*)PhreeqcPtr->PHRQ_malloc((count + 1) * sizeof(LDBLE));
+		if (coef_varrec->UU.U0.arr == NULL)
+		{
+			PhreeqcPtr->malloc_error();
+#if !defined(R_SO)
+			exit(4);
+#endif
+		}
+
+		// first position not used
+		elts_varrec->UU.U1.sarr[0] = NULL;
+		coef_varrec->UU.U0.arr[0] = 0;
+
+		// set dims for Basic array
+		for (i = 0; i < maxdims; i++)
+		{
+			elts_varrec->dims[i] = 0;
+			coef_varrec->dims[i] = 0;
+		}
+		// set dims for first dimension and number of dims
+		elts_varrec->dims[0] = (long)(count + 1);
+		coef_varrec->dims[0] = (long)(count + 1);
+		elts_varrec->numdims = 1;
+		coef_varrec->numdims = 1;
+
+		// fill in arrays
+		i = 1;
+		for (std::vector<std::pair<std::string, double > >::iterator it = stoichiometry.begin(); it != stoichiometry.end(); it++)
+		{
+			elts_varrec->UU.U1.sarr[i] = PhreeqcPtr->string_duplicate((it->first).c_str());
+			coef_varrec->UU.U0.arr[i] = it->second;
+			i++;
+		}
+	}
+	break;
+
 	case toksr:
 	{
 		const char* str = stringfactor(STR1, LINK);
@@ -4004,6 +4742,8 @@ factor(struct LOC_exec * LINK)
 
 	case tokviscos:
 	{
+		if (PhreeqcPtr->print_viscosity)
+			PhreeqcPtr->viscosity(nullptr);
 		n.UU.val = (parse_all) ? 1 : PhreeqcPtr->viscos;
 	}
 	break;
@@ -4879,6 +5619,40 @@ cmdput(struct LOC_exec *LINK)
 	}
 }
 
+void PBasic::
+cmdput_(struct LOC_exec* LINK)
+{
+	int j;
+	std::ostringstream oss;
+
+	/* get parentheses */
+	require(toklp, LINK);
+
+	/* get first argumen */
+	char* str = strexpr(LINK);
+	std::string s_value = str;
+	PhreeqcPtr->PHRQ_free(str);
+
+	for (;;)
+	{
+		if (LINK->t != NULL && LINK->t->kind == tokcomma)
+		{
+			LINK->t = LINK->t->next;
+			j = intexpr(LINK);
+			oss << j << ",";
+		}
+		else
+		{
+			/* get right parentheses */
+			require(tokrp, LINK);
+			break;
+		}
+	}
+	if (!parse_all)
+	{
+		PhreeqcPtr->save_strings[oss.str()] = s_value;
+	}
+}
 void PBasic::
 cmdchange_por(struct LOC_exec *LINK)
 {
@@ -6118,6 +6892,10 @@ exec(void)
 						cmdput(&V);
 						break;
 
+					case tokput_:
+						cmdput_(&V);
+						break;
+
 					case tokchange_por:
 						cmdchange_por(&V);
 						break;
@@ -7452,6 +8230,7 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("gas_p",              PBasic::tokgas_p),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("gas_vm",             PBasic::tokgas_vm),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("get",                PBasic::tokget),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("get$",               PBasic::tokget_),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("get_por",            PBasic::tokget_por),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("gfw",                PBasic::tokgfw),
 #if defined (PHREEQ98) || defined (MULTICHART)
@@ -7490,6 +8269,10 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("pad",                PBasic::tokpad),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("pad$",               PBasic::tokpad_),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("parm",               PBasic::tokparm),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rate_pk",            PBasic::tokrate_pk),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rate_svd",           PBasic::tokrate_svd),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rate_hermanska",     PBasic::tokrate_hermanska),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("meang",              PBasic::tokmeang),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("percent_error",      PBasic::tokpercent_error),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("phase_formula",      PBasic::tokphase_formula),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("phase_formula$",     PBasic::tokphase_formula_),
@@ -7505,6 +8288,7 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("print", PBasic::tokprint),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("punch", PBasic::tokpunch),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("put",                PBasic::tokput),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("put$",               PBasic::tokput_),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("qbrn",               PBasic::tokqbrn),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rem",                PBasic::tokrem),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("rho",                PBasic::tokrho),
@@ -7520,6 +8304,10 @@ const std::map<const std::string, PBasic::BASIC_TOKEN>::value_type temp_tokens[]
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("soln_vol",           PBasic::toksoln_vol),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("species_formula",    PBasic::tokspecies_formula),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("species_formula$",   PBasic::tokspecies_formula_),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("phase_equation",     PBasic::tokphase_equation),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("phase_equation$",    PBasic::tokphase_equation_),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("species_equation",   PBasic::tokspecies_equation),
+	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("species_equation$",  PBasic::tokspecies_equation_),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("sr",                 PBasic::toksr),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("step_no",            PBasic::tokstep_no),
 	std::map<const std::string, PBasic::BASIC_TOKEN>::value_type("str_e$",             PBasic::tokstr_e_),
diff --git a/src/phreeqcpp/PBasic.h b/src/phreeqcpp/PBasic.h
index 3035ceb8..4a04ce9e 100644
--- a/src/phreeqcpp/PBasic.h
+++ b/src/phreeqcpp/PBasic.h
@@ -254,6 +254,7 @@ public:
 		tokgas_p,
 		tokgas_vm,
 		tokget,
+		tokget_,
 		tokget_por,
 		tokgfw,
 		tokgraph_x,
@@ -290,6 +291,10 @@ public:
 		tokpad_,
 		tokpad,
 		tokparm,
+		tokrate_pk,
+		tokrate_svd,
+		tokrate_hermanska,
+		tokmeang,
 		tokpercent_error,
 		tokphase_formula,
 		tokphase_formula_,
@@ -302,6 +307,7 @@ public:
 		tokprint,
 		tokpunch,
 		tokput,
+		tokput_,
 		tokqbrn,
 		tokrho,
 		tokrho_0,
@@ -317,6 +323,10 @@ public:
 		toksoln_vol,
 		tokspecies_formula,
 		tokspecies_formula_,
+		tokphase_equation,
+		tokphase_equation_,
+		tokspecies_equation,
+		tokspecies_equation_,
 		toksr,
 		tokstep_no,
 		tokstr_e_,
@@ -443,6 +453,7 @@ public:
 	void cmdrun(struct LOC_exec *LINK);
 	void cmdsave(struct LOC_exec *LINK);
 	void cmdput(struct LOC_exec *LINK);
+	void cmdput_(struct LOC_exec* LINK);
 	void cmdchange_por(struct LOC_exec *LINK);
 	void cmdchange_surf(struct LOC_exec *LINK);
 	void cmdbye(void);
diff --git a/src/phreeqcpp/Phreeqc.cpp b/src/phreeqcpp/Phreeqc.cpp
index 817bfa26..25d903af 100644
--- a/src/phreeqcpp/Phreeqc.cpp
+++ b/src/phreeqcpp/Phreeqc.cpp
@@ -583,7 +583,6 @@ void Phreeqc::init(void)
 	solution_pe_x           = 0;
 	mu_x                    = 0;
 	ah2o_x                  = 1.0;
-	density_x               = 0;
 	total_h_x               = 0;
 	total_o_x               = 0;
 	cb_x                    = 0;
@@ -898,6 +897,7 @@ void Phreeqc::init(void)
 	viscos                  = 0.0;
 	viscos_0                = 0.0;
 	viscos_0_25             = 0.0;
+	density_x               = 0.0;
 	rho_0                   = 0.0;
 	kappa_0                 = 0.0;
 	p_sat                   = 0.0;
@@ -1201,6 +1201,7 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
 	Rxn_kinetics_map = pSrc->Rxn_kinetics_map;
 	use_kinetics_limiter = pSrc->use_kinetics_limiter;
 	save_values = pSrc->save_values;
+	save_strings = pSrc->save_strings;
 	save = pSrc->save;
 	//class copier copy_solution;
 	//class copier copy_pp_assemblage;
@@ -1216,6 +1217,12 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
 	//	Inverse not implemented
 	//std::vector<class inverse> inverse;
 	count_inverse = 0;
+	/* rate parameters */
+	rate_parameters_pk = pSrc->rate_parameters_pk;
+	rate_parameters_svd = pSrc->rate_parameters_svd;
+	rate_parameters_hermanska = pSrc->rate_parameters_hermanska;
+	// Mean gammas
+	mean_gammas = pSrc->mean_gammas;
 	//   Mix
 	Rxn_mix_map = pSrc->Rxn_mix_map;
 	Dispersion_mix_map = pSrc->Dispersion_mix_map;
@@ -1714,7 +1721,11 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
 	viscos = pSrc->viscos;
 	viscos_0 = pSrc->viscos_0;
 	viscos_0_25 = pSrc->viscos_0_25; // viscosity of the solution, of pure water, of pure water at 25 C
-	cell_pore_volume = pSrc->cell_pore_volume;;
+	density_x = pSrc->density_x;
+	solution_volume_x = pSrc->solution_volume_x;
+	solution_mass_x = pSrc->solution_mass_x;
+	kgw_kgs = pSrc->kgw_kgs;
+	cell_pore_volume = pSrc->cell_pore_volume;
 	cell_porosity = pSrc->cell_porosity;
 	cell_volume = pSrc->cell_volume;
 	cell_saturation = pSrc->cell_saturation;
@@ -1722,9 +1733,6 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc)
 	sys_tot = pSrc->sys_tot;
 	// solution properties
 	V_solutes = pSrc->V_solutes;
-	viscos = pSrc->viscos;
-	viscos_0 = pSrc->viscos_0;
-	viscos_0_25 = pSrc->viscos_0_25;
 	rho_0 = pSrc->rho_0;
 	kappa_0 = pSrc->kappa_0;
 	p_sat = pSrc->p_sat;
diff --git a/src/phreeqcpp/Phreeqc.h b/src/phreeqcpp/Phreeqc.h
index aae4d877..4c3d3aef 100644
--- a/src/phreeqcpp/Phreeqc.h
+++ b/src/phreeqcpp/Phreeqc.h
@@ -93,13 +93,13 @@ public:
 	int basic_run(char* commands, void* lnbase, void* vbase, void* lpbase);
 	void basic_free(void);
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-	double basic_callback(double x1, double x2, char* str);
+	double basic_callback(double x1, double x2, const char* str);
 #else
 	double basic_callback(double x1, double x2, const char* str);
 #endif
 	void register_basic_callback(double (*fcn)(double x1, double x2, const char* str, void* cookie), void* cookie1);
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-	void register_fortran_basic_callback(double (*fcn)(double* x1, double* x2, char* str, size_t l));
+	void register_fortran_basic_callback(double (*fcn)(double* x1, double* x2, const char* str, size_t l));
 #else
 	void register_fortran_basic_callback(double (*fcn)(double* x1, double* x2, const char* str, int l));
 #endif
@@ -110,7 +110,7 @@ public:
 	LDBLE aqueous_vm(const char* species_name);
 	LDBLE phase_vm(const char* phase_name);
 	LDBLE diff_c(const char* species_name);
-	LDBLE setdiff_c(const char* species_name, double d);
+	LDBLE setdiff_c(const char * species_name, double d, double d_v_d);
 	LDBLE flux_mcd(const char* species_name, int option);
 	LDBLE sa_declercq(double type, double sa, double d, double m, double m0, double gfw);
 	LDBLE calc_SC(void);
@@ -167,6 +167,8 @@ public:
 	std::string kinetics_formula(std::string kinetics_name, cxxNameDouble& stoichiometry);
 	std::string phase_formula(std::string phase_name, cxxNameDouble& stoichiometry);
 	std::string species_formula(std::string phase_name, cxxNameDouble& stoichiometry);
+	std::string phase_equation(std::string phase_name, std::vector<std::pair<std::string, double> >& stoichiometry);
+	std::string species_equation(std::string species_name, std::vector<std::pair<std::string, double> >& stoichiometry);
 	LDBLE list_ss(std::string ss_name, cxxNameDouble& composition);
 	int system_total_elements(void);
 	int system_total_si(void);
@@ -283,7 +285,7 @@ public:
 	int sum_diffuse_layer(cxxSurfaceCharge* surface_charge_ptr1);
 	int calc_all_donnan(void);
 	int calc_init_donnan(void);
-	LDBLE calc_psi_avg(cxxSurfaceCharge * charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, std::vector<LDBLE> &zcorr);
+	LDBLE calc_psi_avg(cxxSurfaceCharge * charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, LDBLE f_free, std::vector<LDBLE> &zcorr);
 	LDBLE g_function(LDBLE x_value);
 	LDBLE midpnt(LDBLE x1, LDBLE x2, int n);
 	void polint(LDBLE* xa, LDBLE* ya, int n, LDBLE xv, LDBLE* yv,
@@ -425,8 +427,6 @@ public:
 	int initial_gas_phases(int print);
 	int initial_solutions(int print);
 
-        int initial_solutions_poet(int sol_id);
-
         int step_save_exch(int n_user);
 	int step_save_surf(int n_user);
 	int initial_surfaces(int print);
@@ -558,6 +558,7 @@ public:
 	LDBLE calc_PR(std::vector<class phase*> phase_ptrs, LDBLE P, LDBLE TK, LDBLE V_m);
 	LDBLE calc_PR();
 	int calc_vm(LDBLE tc, LDBLE pa);
+	LDBLE calc_vm0(const char *species_name, LDBLE tc, LDBLE pa, LDBLE mu);
 	int clear(void);
 	int convert_units(cxxSolution* solution_ptr);
 	class unknown* find_surface_charge_unknown(std::string& str_ptr, int plane);
@@ -696,6 +697,10 @@ public:
 	bool read_vector_ints(const char** cptr, std::vector<int>& v, int positive);
 	bool read_vector_t_f(const char** ptr, std::vector<bool>& v);
 	int read_master_species(void);
+	int read_rate_parameters_pk(void);
+	int read_rate_parameters_svd(void);
+	int read_rate_parameters_hermanska(void);
+	int read_mean_gammas(void);
 	int read_mix(void);
 	int read_entity_mix(std::map<int, cxxMix>& mix_map);
 	//int read_solution_mix(void);
@@ -998,7 +1003,7 @@ public:
 		LDBLE new_Dw);
 	int reformat_surf(const char* comp_name, LDBLE fraction, const char* new_comp_name,
 		LDBLE new_Dw, int cell);
-	LDBLE viscosity(void);
+	LDBLE viscosity(cxxSurface *surf_ptr);
 	LDBLE calc_f_visc(const char *name);
 	LDBLE calc_vm_Cl(void);
 	int multi_D(LDBLE DDt, int mobile_cell, int stagnant);
@@ -1157,6 +1162,7 @@ protected:
 	*   Save
 	*---------------------------------------------------------------------- */
 	std::map<std::string, double> save_values;
+	std::map<std::string, std::string> save_strings;
 	class save save;
 
 	/*----------------------------------------------------------------------
@@ -1184,7 +1190,16 @@ protected:
 	*---------------------------------------------------------------------- */
 	std::vector<class inverse> inverse;
 	int count_inverse;
-
+	/*----------------------------------------------------------------------
+	*   Rates
+	*---------------------------------------------------------------------- */
+	std::map<std::string, std::vector<double> > rate_parameters_pk;
+	std::map<std::string, std::vector<double> > rate_parameters_svd;
+	std::map<std::string, std::vector<double> > rate_parameters_hermanska;
+	/*----------------------------------------------------------------------
+	*   Mean gammas
+	*---------------------------------------------------------------------- */
+	std::map<std::string, cxxNameDouble> mean_gammas;
 	/*----------------------------------------------------------------------
 	*   Mix
 	*---------------------------------------------------------------------- */
@@ -1284,7 +1299,6 @@ protected:
 	LDBLE solution_pe_x;
 	LDBLE mu_x;
 	LDBLE ah2o_x;
-	LDBLE density_x;
 	LDBLE total_h_x;
 	LDBLE total_o_x;
 	LDBLE cb_x;
@@ -1519,6 +1533,7 @@ protected:
 	int iterations;
 	int gamma_iterations;
 	size_t density_iterations;
+	LDBLE kgw_kgs;
 	int run_reactions_iterations;
 	int overall_iterations;
 
@@ -1624,6 +1639,9 @@ protected:
 
 	int print_viscosity;
 	LDBLE viscos, viscos_0, viscos_0_25; // viscosity of the solution, of pure water, of pure water at 25 C
+	LDBLE density_x;
+	LDBLE solution_volume_x;
+	LDBLE solution_mass_x;
 	LDBLE cell_pore_volume;
 	LDBLE cell_porosity;
 	LDBLE cell_volume;
@@ -1651,7 +1669,7 @@ protected:
 	double (*basic_callback_ptr) (double x1, double x2, const char* str, void* cookie);
 	void* basic_callback_cookie;
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-	double (*basic_fortran_callback_ptr) (double* x1, double* x2, char* str, size_t l);
+	double (*basic_fortran_callback_ptr) (double* x1, double* x2, const char* str, size_t l);
 #else
 	double (*basic_fortran_callback_ptr) (double* x1, double* x2, const char* str, int l);
 #endif
@@ -1894,7 +1912,8 @@ namespace Utilities
 		for (it = b.begin(); it != b.end(); ++it)
 		{
 			// Adding logic to dump only non-negative entities
-			if (it->second.Get_n_user() >= 0)
+			//if (it->second.Get_n_user() >= 0)
+			if (it->first >= 0 && it->second.Get_n_user() >= 0)
 			{
 				it->second.dump_raw(s_oss, indent);
 			}
diff --git a/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp b/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp
index c92bf0de..8b0e8c00 100644
--- a/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp
+++ b/src/phreeqcpp/PhreeqcKeywords/Keywords.cpp
@@ -130,6 +130,10 @@ std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure",
 std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressures", 			Keywords::KEY_REACTION_PRESSURE),
 std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_raw", 		Keywords::KEY_REACTION_PRESSURE_RAW),
 std::map<const std::string, Keywords::KEYWORDS>::value_type("reaction_pressure_modify", 	Keywords::KEY_REACTION_PRESSURE_MODIFY),
+std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_pk",           Keywords::KEY_RATE_PARAMETERS_PK),
+std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_svd",          Keywords::KEY_RATE_PARAMETERS_SVD),
+std::map<const std::string, Keywords::KEYWORDS>::value_type("rate_parameters_hermanska",    Keywords::KEY_RATE_PARAMETERS_HERMANSKA),
+std::map<const std::string, Keywords::KEYWORDS>::value_type("mean_gammas",                  Keywords::KEY_MEAN_GAMMAS),
 std::map<const std::string, Keywords::KEYWORDS>::value_type("solution_mix", 	            Keywords::KEY_SOLUTION_MIX),
 std::map<const std::string, Keywords::KEYWORDS>::value_type("mix_solution", 	            Keywords::KEY_SOLUTION_MIX),
 std::map<const std::string, Keywords::KEYWORDS>::value_type("exchange_mix", 	            Keywords::KEY_EXCHANGE_MIX),
@@ -221,12 +225,16 @@ std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTI
 std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE,			"REACTION_PRESSURE"),
 std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_RAW,		"REACTION_PRESSURE_RAW"),
 std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_REACTION_PRESSURE_MODIFY,		"REACTION_PRESSURE_MODIFY"),
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MIX,		            "SOLUTION_MIX"),	
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MIX,		            "EXCHANGE_MIX"),	
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MIX,		        "GAS_PHASE_MIX"),	
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MIX,		            "KINETICS_MIX"),	
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_PK,		    "RATE_PARAMETERS_PK"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_SVD,		    "RATE_PARAMETERS_SVD"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_RATE_PARAMETERS_HERMANSKA,    "RATE_PARAMETERS_HERMANSKA"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_MEAN_GAMMAS,		            "RATE_MEAN_GAMMAS"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SOLUTION_MIX,		            "SOLUTION_MIX"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_EXCHANGE_MIX,		            "EXCHANGE_MIX"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_GAS_PHASE_MIX,		        "GAS_PHASE_MIX"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_KINETICS_MIX,		            "KINETICS_MIX"),
 std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_PPASSEMBLAGE_MIX,		        "EQUILIBRIUM_PHASES_MIX"),
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SSASSEMBLAGE_MIX,		        "SOLID_SOLUTIONS_MIX"),	
-std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MIX,		            "SURFACE_MIX")	
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SSASSEMBLAGE_MIX,		        "SOLID_SOLUTIONS_MIX"),
+std::map<Keywords::KEYWORDS, const std::string>::value_type(Keywords::KEY_SURFACE_MIX,		            "SURFACE_MIX")
 };
 const std::map<Keywords::KEYWORDS, const std::string> Keywords::phreeqc_keyword_names(temp_keyword_names, temp_keyword_names + sizeof temp_keyword_names / sizeof temp_keyword_names[0]);
diff --git a/src/phreeqcpp/PhreeqcKeywords/Keywords.h b/src/phreeqcpp/PhreeqcKeywords/Keywords.h
index f812fb39..06de5596 100644
--- a/src/phreeqcpp/PhreeqcKeywords/Keywords.h
+++ b/src/phreeqcpp/PhreeqcKeywords/Keywords.h
@@ -76,6 +76,10 @@ public:
 		KEY_REACTION_PRESSURE,
 		KEY_REACTION_PRESSURE_RAW,
 		KEY_REACTION_PRESSURE_MODIFY,
+		KEY_RATE_PARAMETERS_PK,
+		KEY_RATE_PARAMETERS_SVD,
+		KEY_RATE_PARAMETERS_HERMANSKA,
+		KEY_MEAN_GAMMAS,
 		KEY_SOLUTION_MIX,
 		KEY_EXCHANGE_MIX,
 		KEY_GAS_PHASE_MIX,
diff --git a/src/phreeqcpp/Serializer.cxx b/src/phreeqcpp/Serializer.cxx
index b4ebab76..fab11a37 100644
--- a/src/phreeqcpp/Serializer.cxx
+++ b/src/phreeqcpp/Serializer.cxx
@@ -201,6 +201,10 @@ Serializer::Deserialize(Phreeqc &phreeqc_ref, Dictionary &dictionary, std::vecto
 #if !defined(R_SO)
 			std::cerr << "Unknown pack type in deserialize " << type << std::endl;
 			exit(4);
+#else
+			std::ostringstream oss;
+			oss << "Unknown pack type in deserialize " << type << std::endl;
+			phreeqc_ref.error_msg(oss.str().c_str(), STOP);
 #endif
 			break;
 		}
diff --git a/src/phreeqcpp/Solution.cxx b/src/phreeqcpp/Solution.cxx
index bac8322d..fbdffce4 100644
--- a/src/phreeqcpp/Solution.cxx
+++ b/src/phreeqcpp/Solution.cxx
@@ -2,18 +2,19 @@
 //
 //////////////////////////////////////////////////////////////////////
 #ifdef _DEBUG
-#pragma warning(disable : 4786)	// disable truncation warning (Only used by debugger)
+#pragma warning(                                                               \
+    disable : 4786) // disable truncation warning (Only used by debugger)
 #endif
 
-#include <set>
-#include <cassert>				// assert
-#include <algorithm>			// std::sort
-#include "Utils.h"				// define first
-#include "Phreeqc.h"
 #include "Solution.h"
+#include "Dictionary.h"
+#include "Phreeqc.h"
+#include "Utils.h" // define first
 #include "cxxMix.h"
 #include "phqalloc.h"
-#include "Dictionary.h"
+#include <algorithm> // std::sort
+#include <cassert>   // assert
+#include <set>
 
 #if defined(PHREEQCI_GUI)
 #ifdef _DEBUG
diff --git a/src/phreeqcpp/Solution.h b/src/phreeqcpp/Solution.h
index 7bb1f740..666de836 100644
--- a/src/phreeqcpp/Solution.h
+++ b/src/phreeqcpp/Solution.h
@@ -7,11 +7,11 @@
 #include <vector>				// std::vector
 #include <iostream>
 #include "NumKeyword.h"
-#include "SolutionIsotope.h"
 #include "NameDouble.h"
 #include "PHRQ_base.h"
 #include "PHRQ_io.h"
 #include "ISolution.h"
+#include "SolutionIsotope.h"
 class cxxMix;
 
 class cxxSolution:public cxxNumKeyword
@@ -49,8 +49,8 @@ class cxxSolution:public cxxNumKeyword
 	void Set_cb(LDBLE l_cb)                             {this->cb = l_cb;}
 	LDBLE Get_density() const                           {return this->density;}
 	void Set_density(LDBLE l_density)                   {this->density = l_density;}
-	LDBLE Get_viscosity() const { return this->viscosity; }
-	void Set_viscosity(LDBLE l_viscos) { this->viscosity = l_viscos; }
+	LDBLE Get_viscosity() const                         { return this->viscosity; }
+	void Set_viscosity(LDBLE l_viscos)                  { this->viscosity = l_viscos; }
 	LDBLE Get_mass_water() const                        {return this->mass_water;}
 	void Set_mass_water(LDBLE l_mass_water)             {this->mass_water = l_mass_water;}
 	LDBLE Get_total_alkalinity() const                  {return this->total_alkalinity;}
diff --git a/src/phreeqcpp/Surface.cxx b/src/phreeqcpp/Surface.cxx
index ed55bb2d..f3f932a4 100644
--- a/src/phreeqcpp/Surface.cxx
+++ b/src/phreeqcpp/Surface.cxx
@@ -36,9 +36,10 @@ cxxSurface::cxxSurface(PHRQ_io *io)
 	dl_type = NO_DL;
 	sites_units = SITES_ABSOLUTE;
 	only_counter_ions = false;
-	correct_GC = false;
+	correct_D = false;
 	thickness = 1e-8;
 	debye_lengths = 0.0;
+	calc_DDL_viscosity = false;
 	DDL_viscosity = 1.0;
 	DDL_limit = 0.8;
 	transport = false;
@@ -56,9 +57,10 @@ cxxNumKeyword(io)
 	dl_type = NO_DL;
 	sites_units = SITES_ABSOLUTE;
 	only_counter_ions = false;
-	correct_GC = false;
+	correct_D = false;
 	thickness = 1e-8;
 	debye_lengths = 0.0;
+	calc_DDL_viscosity = false;
 	DDL_viscosity = 1.0;
 	DDL_limit = 0.8;
 	transport = false;
@@ -130,7 +132,7 @@ cxxSurface::dump_raw(std::ostream & s_oss, unsigned int indent, int *n_out) cons
 	s_oss << indent1;
 	s_oss << "-only_counter_ions         " << this->only_counter_ions << "\n";
 	s_oss << indent1;
-	s_oss << "-correct_GC                " << this->correct_GC << "\n";
+	s_oss << "-correct_D                " << this->correct_D << "\n";
 	s_oss << indent1;
 	s_oss << "-thickness                 " << this->thickness << "\n";
 	s_oss << indent1;
@@ -193,7 +195,7 @@ cxxSurface::read_raw(CParser & parser, bool check)
 	this->Set_tidied(true);
 
 	bool only_counter_ions_defined(false);
-	//bool correct_GC_defined(false);
+	//bool correct_D_defined(false);
 	bool thickness_defined(false);
 	bool type_defined(false);
 	bool dl_type_defined(false);
@@ -395,7 +397,7 @@ cxxSurface::read_raw(CParser & parser, bool check)
 		case 11:				// DDL_viscosity
 			if (!(parser.get_iss() >> this->DDL_viscosity))
 			{
-				this->DDL_viscosity = 0.0;
+				this->DDL_viscosity = 1.0;
 				parser.incr_input_error();
 				parser.error_msg("Expected numeric value for DDL_viscosity.",
 								 PHRQ_io::OT_CONTINUE);
@@ -473,16 +475,16 @@ cxxSurface::read_raw(CParser & parser, bool check)
 					PHRQ_io::OT_CONTINUE);
 			}
 			break;
-		case 19:				// correct_GC
-			if (!(parser.get_iss() >> this->correct_GC))
+		case 19:				// correct_D
+			if (!(parser.get_iss() >> this->correct_D))
 			{
-				this->correct_GC = false;
+				this->correct_D = false;
 				parser.incr_input_error();
 				parser.
-					error_msg("Expected boolean value for correct_GC.",
+					error_msg("Expected boolean value for correct_D.",
 						PHRQ_io::OT_CONTINUE);
 			}
-			//correct_GC_defined = true;
+			//correct_D_defined = true;
 			break;
 		}
 		if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
@@ -498,11 +500,11 @@ cxxSurface::read_raw(CParser & parser, bool check)
 				error_msg("Only_counter_ions not defined for SURFACE_RAW input.",
 				PHRQ_io::OT_CONTINUE);
 		}
-		//if (correct_GC_defined == false)
+		//if (correct_D_defined == false)
 		//{
 		//	parser.incr_input_error();
 		//	parser.
-		//		error_msg("correct_GC not defined for SURFACE_RAW input.",
+		//		error_msg("correct_D not defined for SURFACE_RAW input.",
 		//		PHRQ_io::OT_CONTINUE);
 		//}
 		if (thickness_defined == false)
@@ -582,7 +584,7 @@ cxxSurface::add(const cxxSurface & addee_in, LDBLE extensive)
 	if (this->surface_comps.size() == 0)
 	{
 		this->only_counter_ions = addee.only_counter_ions;
-		this->correct_GC = addee.correct_GC;
+		this->correct_D = addee.correct_D;
 		this->dl_type = addee.dl_type;
 		this->type = addee.type;
 		this->sites_units = addee.sites_units;
@@ -754,7 +756,7 @@ cxxSurface::Serialize(Dictionary & dictionary, std::vector < int >&ints,
 	doubles.push_back(this->debye_lengths);
 	doubles.push_back(this->DDL_viscosity);
 	doubles.push_back(this->DDL_limit);
-	ints.push_back(this->correct_GC ? 1 : 0);
+	ints.push_back(this->correct_D ? 1 : 0);
 	ints.push_back(this->transport ? 1 : 0);
 	this->totals.Serialize(dictionary, ints, doubles);
 	ints.push_back(this->solution_equilibria ? 1 : 0);
@@ -801,7 +803,7 @@ cxxSurface::Deserialize(Dictionary & dictionary, std::vector < int >&ints,
 	this->debye_lengths = doubles[dd++];
 	this->DDL_viscosity = doubles[dd++];
 	this->DDL_limit = doubles[dd++];
-	this->correct_GC = (ints[ii++] != 0);
+	this->correct_D = (ints[ii++] != 0);
 	this->transport = (ints[ii++] != 0);
 	this->totals.Deserialize(dictionary, ints, doubles, ii, dd);
 	this->solution_equilibria = (ints[ii++] != 0);
@@ -830,6 +832,6 @@ const std::vector< std::string >::value_type temp_vopts[] = {
 	std::vector< std::string >::value_type("n_solution"),	        // 16
 	std::vector< std::string >::value_type("totals"), 	            // 17
 	std::vector< std::string >::value_type("tidied"),	            // 18
-	std::vector< std::string >::value_type("correct_gc")	        // 19
+	std::vector< std::string >::value_type("correct_d")	            // 19
 };
 const std::vector< std::string > cxxSurface::vopts(temp_vopts, temp_vopts + sizeof temp_vopts / sizeof temp_vopts[0]);	
diff --git a/src/phreeqcpp/Surface.h b/src/phreeqcpp/Surface.h
index 04527265..4b963ac8 100644
--- a/src/phreeqcpp/Surface.h
+++ b/src/phreeqcpp/Surface.h
@@ -67,10 +67,12 @@ public:
 	void Set_debye_lengths(LDBLE t) {debye_lengths = t;}
 	LDBLE Get_DDL_viscosity(void) const {return DDL_viscosity;}
 	void Set_DDL_viscosity(LDBLE t) {DDL_viscosity = t;}
+	void Calc_DDL_viscosity(bool tf) {calc_DDL_viscosity = tf;}
+	bool Get_calc_viscosity(void) const { return calc_DDL_viscosity; }
 	LDBLE Get_DDL_limit(void) const {return DDL_limit;}
 	void Set_DDL_limit(LDBLE t) {DDL_limit = t;}
-	bool Get_correct_GC(void) const { return correct_GC; }
-	void Set_correct_GC(bool tf) { correct_GC = tf; }
+	bool Get_correct_D(void) const { return correct_D; }
+	void Set_correct_D(bool tf) { correct_D = tf; }
 	std::vector<LDBLE> Donnan_factors;
 	bool Get_transport(void) const {return transport;}
 	void Set_transport(bool tf) {transport = tf;}
@@ -95,8 +97,9 @@ protected:
 	LDBLE thickness;
 	LDBLE debye_lengths;
 	LDBLE DDL_viscosity;
+	bool calc_DDL_viscosity;
 	LDBLE DDL_limit;
-	bool correct_GC;
+	bool correct_D;
 	bool transport;
 	cxxNameDouble totals;
 	bool solution_equilibria;
diff --git a/src/phreeqcpp/SurfaceCharge.cxx b/src/phreeqcpp/SurfaceCharge.cxx
index 5d2857d8..22624369 100644
--- a/src/phreeqcpp/SurfaceCharge.cxx
+++ b/src/phreeqcpp/SurfaceCharge.cxx
@@ -36,6 +36,8 @@ PHRQ_base(io)
 	grams = 0.0;
 	charge_balance = 0.0;
 	mass_water = 0.0;
+	DDL_viscosity = 0.0;
+	f_free = 0.0;
 	la_psi = 0.0;
 	capacitance[0] = 1.0;
 	capacitance[1] = 5.0;
@@ -68,6 +70,7 @@ cxxSurfaceCharge::dump_xml(std::ostream & s_oss, unsigned int indent) const
 		charge_balance << "\"" << "\n";
 	s_oss << indent0 << "mass_water=\"" << this->
 		mass_water << "\"" << "\n";
+	s_oss << indent0 << "f_free=\"" << this->f_free << "\"" << "\n";
 	s_oss << indent0 << "la_psi=\"" << this->la_psi << "\"" << "\n";
 	s_oss << indent0 << "capacitance=\"" << this->
 		capacitance[0] << " " << this->capacitance[0] << "\"" << "\n";
@@ -98,6 +101,8 @@ cxxSurfaceCharge::dump_raw(std::ostream & s_oss, unsigned int indent) const
 	s_oss << indent0 << "-grams                   " << this->grams << "\n";
 	s_oss << indent0 << "-charge_balance          " << this->charge_balance << "\n";
 	s_oss << indent0 << "-mass_water              " << this->mass_water << "\n";
+	s_oss << indent0 << "-f_free                  " << this->f_free << "\n";
+	s_oss << indent0 << "-ddl_viscosity           " << this->DDL_viscosity << "\n";
 	s_oss << indent0 << "-la_psi                  " << this->la_psi << "\n";
 	s_oss << indent0 << "-capacitance0            " << this->capacitance[0] << "\n";
 	s_oss << indent0 << "-capacitance1            " << this->capacitance[1] << "\n";
@@ -155,6 +160,7 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 	bool capacitance0_defined(false);
 	bool capacitance1_defined(false);
 	bool g_map_first(true);
+	bool DDL_viscosity_defined(false);
 
 	for (;;)
 	{
@@ -225,7 +231,6 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 			mass_water_defined = true;
 			break;
 
-
 		case 5:				// la_psi
 			if (!(parser.get_iss() >> this->la_psi))
 			{
@@ -366,10 +371,27 @@ cxxSurfaceCharge::read_raw(CParser & parser, bool check)
 				}
 			}
 			opt_save = 16;
-
-
-
 			break;
+		case 17:				// f_free of water
+			if (!(parser.get_iss() >> this->f_free))
+			{
+				this->f_free = 0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for f_free of mass_water.",
+					PHRQ_io::OT_CONTINUE);
+			}
+			break;
+		case 18:				// DDL_viscosity
+			if (!(parser.get_iss() >> this->DDL_viscosity))
+			{
+				this->DDL_viscosity = 1.0;
+				parser.incr_input_error();
+				parser.error_msg("Expected numeric value for DDL_viscosity.",
+					PHRQ_io::OT_CONTINUE);
+			}
+			DDL_viscosity_defined = true;
+			break;
+
 		}
 		if (opt == CParser::OPT_EOF || opt == CParser::OPT_KEYWORD)
 			break;
@@ -454,9 +476,11 @@ cxxSurfaceCharge::add(const cxxSurfaceCharge & addee, LDBLE extensive)
 	this->mass_water += addee.mass_water * extensive;
 	this->la_psi = this->la_psi * f1 + addee.la_psi * f2;
 	this->capacitance[0] =
-		this->capacitance[0] * f1 + this->capacitance[0] * f2;
+		this->capacitance[0] * f1 + addee.capacitance[0] * f2;
 	this->capacitance[1] =
-		this->capacitance[1] * f1 + this->capacitance[1] * f2;
+		this->capacitance[1] * f1 + addee.capacitance[1] * f2;
+	this->f_free = this->f_free * f1 + addee.f_free * f2;
+	this->DDL_viscosity = this->DDL_viscosity * f1 + addee.DDL_viscosity * f2;
 	this->diffuse_layer_totals.add_extensive(addee.diffuse_layer_totals, extensive);
 }
 
@@ -486,6 +510,8 @@ cxxSurfaceCharge::Serialize(Dictionary & dictionary, std::vector < int >&ints,
 	doubles.push_back(this->sigma1);
 	doubles.push_back(this->sigma2);
 	doubles.push_back(this->sigmaddl);
+	doubles.push_back(this->f_free);
+	doubles.push_back(this->DDL_viscosity);
 	ints.push_back((int) this->g_map.size());
 	{
 		std::map<LDBLE, cxxSurfDL>::iterator it;
@@ -523,6 +549,8 @@ cxxSurfaceCharge::Deserialize(Dictionary & dictionary, std::vector < int >&ints,
 	this->sigma1 = doubles[dd++];
 	this->sigma2 = doubles[dd++];
 	this->sigmaddl = doubles[dd++];
+	this->f_free = doubles[dd++];
+	this->DDL_viscosity = doubles[dd++];
 	{
 		this->g_map.clear();
 		int count = ints[ii++];
@@ -581,6 +609,9 @@ const std::vector< std::string >::value_type temp_vopts[] = {
 	std::vector< std::string >::value_type("sigma2"),	            // 13 
 	std::vector< std::string >::value_type("sigmaddl"),	            // 14
 	std::vector< std::string >::value_type("g_map"),	            // 15
-	std::vector< std::string >::value_type("diffuse_layer_species") // 16
+	std::vector< std::string >::value_type("diffuse_layer_species"),// 16
+	std::vector< std::string >::value_type("f_free"),               // 17
+	std::vector< std::string >::value_type("ddl_viscosity")         // 18
+
 };									   
 const std::vector< std::string > cxxSurfaceCharge::vopts(temp_vopts, temp_vopts + sizeof temp_vopts / sizeof temp_vopts[0]);	
diff --git a/src/phreeqcpp/SurfaceCharge.h b/src/phreeqcpp/SurfaceCharge.h
index 091b26b7..2333a331 100644
--- a/src/phreeqcpp/SurfaceCharge.h
+++ b/src/phreeqcpp/SurfaceCharge.h
@@ -87,6 +87,10 @@ public:
 	void Set_charge_balance(LDBLE d) {this->charge_balance = d;}
 	LDBLE Get_mass_water() const {return this->mass_water;}
 	void Set_mass_water(LDBLE d) {this->mass_water = d;}
+	LDBLE Get_DDL_viscosity(void) const { return DDL_viscosity; }
+	void Set_DDL_viscosity(LDBLE t) { DDL_viscosity = t; }
+	LDBLE Get_f_free() const {return this->f_free;}
+	void Set_f_free(LDBLE d) {this->f_free = d;}
 	LDBLE Get_la_psi() const {return this->la_psi;}
 	void Set_la_psi(LDBLE d) {this->la_psi = d;}
 	LDBLE Get_capacitance0() const {return this->capacitance[0];}
@@ -117,6 +121,8 @@ protected:
 	LDBLE grams;
 	LDBLE charge_balance;
 	LDBLE mass_water;
+	LDBLE DDL_viscosity;
+	LDBLE f_free;
 	LDBLE la_psi;
 	LDBLE capacitance[2];
 	cxxNameDouble diffuse_layer_totals;
diff --git a/src/phreeqcpp/basicsubs.cpp b/src/phreeqcpp/basicsubs.cpp
index bf545b4f..917353da 100644
--- a/src/phreeqcpp/basicsubs.cpp
+++ b/src/phreeqcpp/basicsubs.cpp
@@ -12,6 +12,16 @@
 #include "Solution.h"
 #include "Parser.h"
 
+#if defined(_MSC_VER) && (_MSC_VER <= 1400) // VS2005
+#  define nullptr NULL
+#endif
+
+#if __cplusplus < 201103L // Check if C++ standard is pre-C++11
+#  ifndef nullptr
+#    define nullptr NULL
+#  endif
+#endif
+
 #if defined(PHREEQCI_GUI)
 #ifdef _DEBUG
 #define new DEBUG_NEW
@@ -22,20 +32,20 @@ static char THIS_FILE[] = __FILE__;
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-activity(const char* species_name)
+activity(const char *species_name)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
+	class species *s_ptr;
 	LDBLE a;
 
 	s_ptr = s_search(species_name);
 	if (s_ptr == s_h2o)
 	{
-		a = pow((LDBLE)10., s_h2o->la);
+		a = pow((LDBLE) 10., s_h2o->la);
 	}
 	else if (s_ptr == s_eminus)
 	{
-		a = pow((LDBLE)10., s_eminus->la);
+		a = pow((LDBLE) 10., s_eminus->la);
 	}
 	else if (s_ptr == NULL || s_ptr->in == FALSE)
 	{
@@ -43,17 +53,17 @@ activity(const char* species_name)
 	}
 	else
 	{
-		a = pow((LDBLE)10., s_ptr->lm + s_ptr->lg);
+		a = pow((LDBLE) 10., s_ptr->lm + s_ptr->lg);
 	}
 	return (a);
 }
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-activity_coefficient(const char* species_name)
+activity_coefficient(const char *species_name)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
+	class species *s_ptr;
 	LDBLE g, dum = 0.0;
 
 	s_ptr = s_search(species_name);
@@ -61,7 +71,7 @@ activity_coefficient(const char* species_name)
 	{
 		if (s_ptr->type == EX && s_ptr->equiv && s_ptr->alk)
 			dum = log10(s_ptr->equiv / s_ptr->alk);
-		g = pow((LDBLE)10., s_ptr->lg - dum);
+		g = pow((LDBLE) 10., s_ptr->lg - dum);
 	}
 	else
 	{
@@ -72,10 +82,10 @@ activity_coefficient(const char* species_name)
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-log_activity_coefficient(const char* species_name)
+log_activity_coefficient(const char *species_name)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
+	class species *s_ptr;
 	LDBLE g, dum = 0.0;
 
 	s_ptr = s_search(species_name);
@@ -94,10 +104,10 @@ log_activity_coefficient(const char* species_name)
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-aqueous_vm(const char* species_name)
+aqueous_vm(const char *species_name)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
+	class species *s_ptr;
 	LDBLE g;
 
 	s_ptr = s_search(species_name);
@@ -113,10 +123,10 @@ aqueous_vm(const char* species_name)
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-phase_vm(const char* phase_name)
+phase_vm(const char *phase_name)
 /* ---------------------------------------------------------------------- */
 {
-	class phase* phase_ptr;
+	class phase *phase_ptr;
 	int l;
 	LDBLE g;
 
@@ -136,7 +146,7 @@ LDBLE Phreeqc::
 sa_declercq(double sa_type, double Sa, double d, double m, double m0, double gfw)
 /* ---------------------------------------------------------------------- */
 {
-	if (sa_type == 0)
+	if (sa_type == 0) 
 	{
 		// surface-area-calculation-Fixed_Surface
 		return Sa;
@@ -147,14 +157,14 @@ sa_declercq(double sa_type, double Sa, double d, double m, double m0, double gfw
 		double mass0 = m0 * gfw;
 		double V0 = mass0 / d;
 		double St0 = mass0 * Sa;        // total surface
-		double a0 = pow(V0, 1.0 / 3.0);   // side length
-		double Sp0 = 6.0 * a0 * a0;       // surface particle
+		double a0 = pow(V0, 1.0/3.0);   // side length
+		double Sp0 = 6.0 * a0*a0;       // surface particle
 		double np = St0 / Sp0;          // number of particles
-		double RATS = Sa / St0;
+	    double RATS = Sa / St0;
 		double mass = m * gfw;
 		double V = mass / d;
-		double a = pow(V, 1.0 / 3.0);
-		double St = 6.0 * a * a * np;
+		double a = pow(V, 1.0/3.0); 
+		double St = 6.0 * a*a*np;
 		return St * RATS;               // total current surface
 	}
 	else if (sa_type == 2)
@@ -163,231 +173,104 @@ sa_declercq(double sa_type, double Sa, double d, double m, double m0, double gfw
 		double mass0 = m0 * gfw;
 		double V0 = mass0 / d;                         // volume
 		double St0 = mass0 * Sa;                       // total surface
-		double a0 = pow(3.0 * V0 / (4.0 * pi), 1.0 / 3.0); // ((3*V0)/(4 * 3.14159265359))^(1/3)  
+		double a0 = pow(3.0 * V0/(4.0 * pi), 1.0/3.0); // ((3*V0)/(4 * 3.14159265359))^(1/3)  
 		double Sp0 = (4.0 * pi) * a0 * a0;             // surface particle
 		double np = St0 / Sp0;                         // number of particles
 		double RATS = Sa / St0;
-
+ 
 		double mass = m * gfw;
 		double V = mass / d;
-		double a = pow(3.0 * V / (4.0 * pi), 1.0 / 3.0);  //((3*V)/(4 * 3.14159265359))^(1/3)
+		double a = pow(3.0 * V/(4.0 * pi), 1.0/3.0);  //((3*V)/(4 * 3.14159265359))^(1/3)
 		double St = 4.0 * pi * a * a * np;
 		return St * RATS;                             // total current surface
 	}
-	error_string = sformatf("Unknown surface area type in SA_DECLERCQ %d.", (int)sa_type);
+	error_string = sformatf( "Unknown surface area type in SA_DECLERCQ %d.", (int) sa_type);
 	error_msg(error_string, CONTINUE);
 	input_error++;
 	return (MISSING);
-
 }
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-diff_c(const char* species_name)
+diff_c(const char *species_name)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
-	LDBLE ka, l_z, Dw, ff, sqrt_mu;
-	sqrt_mu = sqrt(mu_x);
+	class species *s_ptr;
+	LDBLE Dw;
 
 	s_ptr = s_search(species_name);
-	//LDBLE g;
-	//if (s_ptr != NULL /*&& s_ptr->in != FALSE && s_ptr->type < EMINUS*/)
-	//{
-	//	g = s_ptr->dw;
-	//	if (s_ptr->dw_t)
-	//			g *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
-	//	g *= viscos_0_25 / viscos * tk_x / 298.15;
-	//}
-	//else
-	//{
-	//	g = 0;
-	//}
-	//return (g);
 	if (s_ptr == NULL)
 		return(0);
 	if ((Dw = s_ptr->dw) == 0)
+		return(0);
+	if (correct_Dw)
 	{
-		if (correct_Dw)
-			Dw = default_Dw;
-		else
-			return(0);
-	}
-	if ((l_z = fabs(s_ptr->z)) == 0)
-	{
-		//l_z = 1; // only a 1st approximation for correct_Dw in electrical field
+		calc_SC();
+		Dw = s_ptr->dw_corr;
 	}
 	else
 	{
-		if (s_ptr->dw_a2)
-			ka = DH_B * s_ptr->dw_a2 * sqrt_mu / (1 + pow(mu_x, 0.75));
-		else
-			ka = DH_B * 4.73 * sqrt_mu / (1 + pow(mu_x, 0.75));
-		if (s_ptr->dw_a)
-		{
-			ff = exp(-s_ptr->dw_a * DH_A * l_z * sqrt_mu / (1 + ka));
-			//if (print_viscosity && s_ptr->dw_a_visc)
-			//	ff *= pow((viscos_0 / viscos), s_ptr->dw_a_visc);
-		}
-		else
-		{
-			ff = exp(-1.6 * DH_A * l_z * sqrt_mu / (1 + ka));
-		}
-		Dw *= ff;
+		if (tk_x != 298.15 && s_ptr->dw_t)
+			Dw *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
+
+		Dw *= viscos_0_25 / viscos_0;
 	}
-
-	if (tk_x != 298.15 && s_ptr->dw_t)
-		Dw *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
-
-	s_ptr->dw_corr = Dw;
-	return (Dw * viscos_0_25 / viscos_0);
+	if (s_ptr->dw_a_v_dif && print_viscosity)
+	{
+		viscosity(nullptr);
+		Dw *= pow(viscos_0 / viscos, s_ptr->dw_a_v_dif);
+	}
+	return Dw;
 }
+
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-setdiff_c(const char* species_name, double d)
+setdiff_c(const char *species_name, double d, double d_v_d)
 /* ---------------------------------------------------------------------- */
 {
-	class species* s_ptr;
-	LDBLE ka, l_z, Dw, ff, sqrt_mu;
-	sqrt_mu = sqrt(mu_x);
+	class species *s_ptr;
+	LDBLE Dw;
 
 	s_ptr = s_search(species_name);
-
-	//LDBLE g;
-	//s_ptr = s_search(species_name);
-	//if (s_ptr != NULL)
-	//{
-
-	//	s_ptr->dw = d;
-	//	g = s_ptr->dw;
-	//	if (s_ptr->dw_t)
-	//			g *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
-	//	g *= viscos_0_25 / viscos * tk_x / 298.15;;
-	//}
-	//else
-	//{
-	//	g = 0;
-	//}
-	//return (g);
 	if (s_ptr == NULL)
 		return(0);
 	Dw = s_ptr->dw = d;
-	if ((l_z = fabs(s_ptr->z)) == 0)
+	s_ptr->dw_a_v_dif = d_v_d;
+	if (correct_Dw)
 	{
-		//l_z = 1; // only a 1st approximation for correct_Dw in electrical field
+		calc_SC();
+		Dw = s_ptr->dw_corr;
 	}
 	else
 	{
-		if (s_ptr->dw_a2)
-			ka = DH_B * s_ptr->dw_a2 * sqrt_mu / (1 + pow(mu_x, 0.75));
-		else
-			ka = DH_B * 4.73 * sqrt_mu / (1 + pow(mu_x, 0.75));
-		if (s_ptr->dw_a)
-		{
-			ff = exp(-s_ptr->dw_a * DH_A * l_z * sqrt_mu / (1 + ka));
-			//if (print_viscosity && s_ptr->dw_a_visc)
-			//	ff *= pow((viscos_0 / viscos), s_ptr->dw_a_visc);
-		}
-		else
-		{
-			ff = exp(-1.6 * DH_A * l_z * sqrt_mu / (1 + ka));
-		}
-		Dw *= ff;
+		if (tk_x != 298.15 && s_ptr->dw_t)
+			Dw *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
+
+		Dw *= viscos_0_25 / viscos_0;
 	}
-
-	if (tk_x != 298.15 && s_ptr->dw_t)
-		Dw *= exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
-
-	s_ptr->dw_corr = Dw;
-	return (Dw * viscos_0_25 / viscos_0);
+	if (d_v_d && print_viscosity)
+	{
+		viscosity(nullptr);
+		Dw *= pow(viscos_0 / viscos, s_ptr->dw_a_v_dif);
+	}
+	return Dw;
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
 calc_SC(void)
 /* ---------------------------------------------------------------------- */
 {
-	//int i;
-	//LDBLE lm, a, l_z, Dw, SC, ff;
-
-	//SC = 0;
-# ifdef SKIP
-	for (i = 0; i < count_species_list; i++)
-	{
-		if (species_list[i].s->type == EX)
-			continue;
-		if (species_list[i].s->type == SURF)
-			continue;
-		if (i > 0
-			&& strcmp(species_list[i].s->name,
-				species_list[i - 1].s->name) == 0)
-			continue;
-		if (species_list[i].s == s_h2o)
-			continue;
-		if ((Dw = species_list[i].s->dw) == 0)
-			continue;
-		if ((l_z = fabs(species_list[i].s->z)) == 0)
-			continue;
-
-		lm = species_list[i].s->lm;
-		if (lm > -9)
-		{
-			ff = (mu_x < .36 * l_z ? 0.6 / sqrt(l_z) : sqrt(mu_x) / l_z);
-
-			ff *= species_list[i].s->lg;
-			if (ff > 0) ff = 0;
-			a = under(lm + ff);
-			if (species_list[i].s->dw_t)
-				Dw *= exp(species_list[i].s->dw_t / tk_x - species_list[i].s->dw_t / 298.15); // the viscosity multiplier is done in SC
-			SC += a * l_z * l_z * Dw;
-		}
-	}
-	SC *= 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298160.0);
-	/* correct for temperature dependency...
-		  SC_T = SC_298 * (Dw_T / T) * (298 / Dw_298) and
-			Dw_T = Dw_298 * (T / 298) * (viscos_298 / viscos_T) give:
-		SC_T = SC_298 * (viscos_298 / viscos_T)
-	*/
-	SC *= viscos_0_25 / viscos;
-
-	return (SC);
-	//# endif
-	for (i = 0; i < (int)this->s_x.size(); i++)
-	{
-		if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
-			continue;
-		if ((Dw = s_x[i]->dw) == 0)
-			continue;
-		if ((l_z = fabs(s_x[i]->z)) == 0)
-			continue;
-
-		lm = s_x[i]->lm;
-		if (lm > -9)
-		{
-			ff = (mu_x < .36 * l_z ? 0.6 / sqrt(l_z) : sqrt(mu_x) / l_z);
-
-			ff *= s_x[i]->lg;
-			if (ff > 0) ff = 0;
-			a = under(lm + ff);
-			if (s_x[i]->dw_t)
-				Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15); // the viscosity multiplier is done in SC
-			SC += a * l_z * l_z * Dw;
-		}
-	}
-	SC *= 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298160.0);
-	/* correct for temperature dependency...
-		  SC_T = SC_298 * (Dw_T / T) * (298 / Dw_298) and
-			Dw_T = Dw_298 * (T / 298) * (viscos_298 / viscos_T) give:
-		SC_T = SC_298 * (viscos_298 / viscos_T)
-	*/
-	SC *= viscos_0_25 / viscos;
-
-	return (SC);
-# endif
+	class species *s_ptr;
 	int i;
-	LDBLE ka, l_z, Dw, ff, sqrt_mu;
-	sqrt_mu = sqrt(mu_x);
-
+	LDBLE ka, l_z, Dw, ff, sqrt_mu, a, a2, a3, av, v_Cl = 1;
 	SC = 0;
+	sqrt_mu = sqrt(mu_x);
+	bool Falk = false;
+	s_ptr = s_search("H+");
+	if (s_ptr == NULL)
+		return(0);
+	else if (s_ptr->dw_a3 > 24) Falk = true;
+
 	//LDBLE ta1, ta2, ta3, ta4;
 	//for (i = 0; i < (int)this->s_x.size(); i++)
 	//{
@@ -401,147 +284,247 @@ calc_SC(void)
 	//		break;
 	//	}
 	//}
-	for (i = 0; i < (int)this->s_x.size(); i++)
+	av = 0;
+	if (print_viscosity)
+		viscosity(nullptr);
+	if (!Falk)
 	{
-		if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
-			continue;
-		if ((Dw = s_x[i]->dw) == 0)
+		for (i = 0; i < (int)this->s_x.size(); i++)
 		{
-			if (correct_Dw)
-				Dw = default_Dw;
-			else
+			if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
 				continue;
-		}
-		if (s_x[i]->lm < min_dif_LM)
-			continue;
-		if ((l_z = fabs(s_x[i]->z)) == 0)
-		{
-			//l_z = 1; // only a 1st approximation for correct_Dw in electrical field
-		}
-		else
-		{
-			if (s_x[i]->dw_a2)
-				ka = DH_B * s_x[i]->dw_a2 * sqrt_mu / (1 + pow(mu_x, 0.75));
-			else
+			if ((Dw = s_x[i]->dw) == 0)
 			{
-				ka = DH_B * 4.73 * sqrt_mu / (1 + pow(mu_x, 0.75));
-				//ka = DH_B * ta1 * sqrt_mu / (1 + pow(mu_x, ta2));
-				//ka = DH_B * ta1 * sqrt_mu / (1 + mu_x / ta2);
+				if (correct_Dw)
+					Dw = default_Dw;
+				else
+				{
+					s_x[i]->dw_corr = 0;
+					continue;
+				}
 			}
-			if (s_x[i]->dw_a)
+			if (s_x[i]->lm < min_dif_LM)
+				continue;
+			if (tk_x != 298.15)
 			{
-				ff = exp(-s_x[i]->dw_a * DH_A * l_z * sqrt_mu / (1 + ka));
-				//if (print_viscosity && s_x[i]->dw_a_visc)
-				//	ff *= pow((viscos_0 / viscos), s_x[i]->dw_a_visc);
+				if (s_x[i]->dw_t)
+					Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15);
+				//else
+				//{
+				//	Dw *= exp(ta1 / tk_x - ta1 / 298.15);
+				//}
+			}
+			// correct for temperature dependent viscosity of pure water...
+			Dw *= viscos_0_25 / viscos_0;
+			s_x[i]->dw_corr = Dw;
+			if ((l_z = fabs(s_x[i]->z)) == 0)
+			{
+				//l_z = 1; // only a 1st approximation for correct_Dw in electrical field
+				continue;
 			}
 			else
 			{
-				ff = exp(-1.6 * DH_A * l_z * sqrt_mu / (1 + ka));
-				//ff = exp(-ta3 * DH_A * l_z * sqrt_mu / (1 + ka));
+				s_ptr = s_x[i];
+				if (print_viscosity)
+				{
+					a = (s_ptr->dw_a ? s_ptr->dw_a : 1.6);
+					a2 = (s_ptr->dw_a2 ? s_ptr->dw_a2 : 4.73);
+					av = (s_ptr->dw_a_visc ? pow((viscos_0 / viscos), s_ptr->dw_a_visc) : 1);
+					a3 = (s_ptr->dw_a3 ? pow(mu_x, s_ptr->dw_a3) : s_ptr->dw_a_visc ? 1 : pow(mu_x, 0.75));
+				}
+				else
+				{
+					a = (s_ptr->dw_a ? s_ptr->dw_a : 1.6);
+					a2 = (s_ptr->dw_a2 ? s_ptr->dw_a2 : 4.73);
+					av = 1.0;
+					a3 = (s_ptr->dw_a3 ? pow(mu_x, s_ptr->dw_a3) : pow(mu_x, 0.75));
+				}
+				ka = DH_B * a2 * sqrt_mu / (1 + a3);
+				ff = av * exp(-a * DH_A * l_z * sqrt_mu / (1 + ka));
 			}
+
 			Dw *= ff;
+			if (correct_Dw)
+				s_x[i]->dw_corr = Dw;
+			s_x[i]->dw_t_SC = s_x[i]->moles / mass_water_aq_x * l_z * l_z * Dw;
+			SC += s_x[i]->dw_t_SC;
 		}
-		if (tk_x != 298.15)
+		SC *= 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298150.0);
+		return (SC);
+	}
+	else
+	{
+		/* the phreeqc equation from Appelo, 2017, CCR 101, 102 with viscosity correction, e.g. for SO4-2 and its complexes:
+		         Dw      dw_t    a     a2     visc   -5< a3 <5
+			-dw 1.07e-9  236  0.7281  3.452  -0.1515  -3.043  # obsolete
+		  or
+		   Debye-Onsager with (1 + ka)^2 in the denominator,
+			 for the individual ions according to their contribution to mu, with sqrt charge multiplier for B2 and 
+			 a in ka corrected by volume (or mu^a2, if a3 = -10), and * (viscos_0 / viscos)^av 
+			      Dw      dw_t    a     a2      visc  a3 = (0) or >5
+			 -dw 1.03e-9  -14    4.03  0.8341  1.679    # Li+, ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5
+		 */
+		LDBLE q, sqrt_q, B1, B2, m_plus, m_min, eq_plus, eq_min, eq_dw_plus, eq_dw_min, z_plus, z_min, t1, Dw_SC;
+
+		m_plus = m_min = eq_plus = eq_min = eq_dw_plus = eq_dw_min = z_plus = z_min = 0;
+		SC = 0;
+		LDBLE eps_c = eps_r; // Cl concentration corrected eps_r
+		// average z and Dw for transport numbers t1_0 and t2_0 at zero conc's, and q of the solution...
+		for (i = 0; i < (int)this->s_x.size(); i++)
 		{
-			if (s_x[i]->dw_t)
+			if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
+				continue;
+			if (s_x[i]->lm < min_dif_LM)
+				continue;
+			if ((Dw = s_x[i]->dw) == 0)
+			{
+				if (correct_Dw)
+					Dw = default_Dw; // or charge based...Dw = l_z > 0 ? 1.6e-9 / l_z : 2e-9 / -l_z;
+				else
+				{
+					s_x[i]->dw_corr = 0;
+					continue;
+				}
+			}
+			if (tk_x != 298.15 && s_x[i]->dw_t)
 				Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15);
-			//else
-			//{
-			//	Dw *= exp(ta1 / tk_x - ta1 / 298.15);
-			//}
+			Dw *= viscos_0_25 / viscos_0;
+			s_x[i]->dw_corr = Dw;
+
+			if ((l_z = s_x[i]->z) == 0)
+				continue;
+
+			if (l_z > 0)
+			{
+				m_plus += s_x[i]->moles;
+				a = s_x[i]->moles * l_z;
+				eq_plus += a;
+				eq_dw_plus += a * Dw;
+			}
+			else
+			{
+				m_min += s_x[i]->moles;
+				a = s_x[i]->moles * l_z;
+				eq_min -= a;
+				eq_dw_min -= a * Dw;
+			}
 		}
-		s_x[i]->dw_corr = Dw;
+		// q = z1 * z2 / ((z2 * t1_0 + z1 * t2_0) * (z1 + z2)); 
+		//     z1 = z_plus, z2 = z_min, t1_0 = (eq_dw_plus / m_plus) / (eq_dw_plus / m_plus + eq_dw_min / m_min)
+		//a = (eq_plus - eq_min) / 2;
+		//eq_min += a;
+		//eq_plus -= a;
+		z_plus = eq_plus / m_plus; // |av_z1|
+		z_min = eq_min / m_min;    // |av_z2|
+		t1 = (eq_dw_plus / m_plus) / (eq_dw_plus / m_plus + eq_dw_min / m_min);
+		q = 1 / ((t1 / z_plus + (1 - t1) / z_min) * (z_min + z_plus));
+		sqrt_q = sqrt(q);
 
-		s_x[i]->dw_t_SC = s_x[i]->moles / mass_water_aq_x * l_z * l_z * Dw;
-		SC += s_x[i]->dw_t_SC;
-	}
-	SC *= 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298150.0);
-	/* correct for viscosity dependency...
-	SC_T = SC_298 * (viscos_298 / viscos_T)
-	*/
-	SC *= viscos_0_25 / viscos_0;
-	return (SC);
-}
-#ifdef SKIP
-/*Debye-Onsager according to Robinson and Stokes, 1954, JACS 75, 1991,
-	 but with sqrt charge multiplier for B2 and mu^ff dependent ka */
-LDBLE q, B1, B2, m_plus, m_min, eq_plus, eq_min, eq_dw_plus, eq_dw_min, Sum_m_dw, z_plus, z_min, t1, t2, Dw_SC;
+		// B1 = relaxtion, B2 = electrophoresis in ll = (ll0 - B2 * sqrt(mu) / f2(1 + ka)) * (1 - B1 * sqrt(mu) / f1(1 + ka))
+		a = 1.60218e-19 * 1.60218e-19 / (6 * pi);
+		B1 = a / (2 * 8.8542e-12 * eps_r * 1.38066e-23 * tk_x) * q / (1 + sqrt_q) * DH_B * 1e10 * z_plus * z_min;  // DH_B is per Angstrom (*1e10)
+		B2 = a * AVOGADRO / viscos_0 * DH_B * 1e17;  // DH_B per Angstrom (*1e10), viscos in mPa.s (*1e3), B2 in cm2 (*1e4)
+		//B1 = a / (2 * 8.8542e-12 * eps_c * 1.38066e-23 * tk_x) * q / (1 + sqrt_q) * DH_B * 1e10 * z_plus * z_min;  // DH_B is per Angstrom (*1e10)
+		//B2 = a * AVOGADRO / viscos * DH_B * 1e17;  // DH_B per Angstrom (*1e10), viscos in mPa.s (*1e3), B2 in cm2 (*1e4)
 
-m_plus = m_min = eq_plus = eq_min = eq_dw_plus = eq_dw_min = Sum_m_dw = z_plus = z_min = 0;
-SC = 0;
-for (i = 0; i < (int)this->s_x.size(); i++)
-{
-	if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
-		continue;
-	if ((l_z = s_x[i]->z) == 0)
-		continue;
-	if ((lm = s_x[i]->lm) < -9)
-		continue;
-	if ((Dw = s_x[i]->dw) == 0)
-		Dw = 1e-9;
-	if (s_x[i]->dw_t)
-		Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15); // the viscosity multiplier cancels in q...
-	if (l_z > 0)
-	{
-		m_plus += s_x[i]->moles;
-		t1 = s_x[i]->moles * l_z;
-		eq_plus += t1;
-		eq_dw_plus += t1 * Dw;
-		Sum_m_dw += s_x[i]->moles * Dw;
-	}
-	else
-	{
-		m_min += s_x[i]->moles;
-		t1 = s_x[i]->moles * l_z;
-		eq_min -= t1;
-		eq_dw_min -= t1 * Dw;
-		Sum_m_dw += s_x[i]->moles * Dw;
+		LDBLE mu_plus, mu_min, lz, ll_SC, v0;
+		// the + and - contributions to mu, assuming -2, -1, 1, 2 charge numbers...
+		mu_min  = 3 * m_min  * (z_min - 1) + m_min;
+		mu_plus = 3 * m_plus * (z_plus - 1) + m_plus;
+
+		Dw_SC = 1e4 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298.15e3); // for recalculating Dw to ll0
+		t1 = calc_solution_volume();
+		ll_SC = 0.5e3 * (eq_plus + eq_min) / t1 * mass_water_aq_x / t1; // recalculates ll to SC in uS/cm, with mu in mol/kgw
+
+		for (i = 0; i < (int)this->s_x.size(); i++)
+		{
+			if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
+				continue;
+			if ((lz = s_x[i]->z) == 0)
+				continue;
+			if (s_x[i]->lm < min_dif_LM)
+				continue;
+			if ((Dw = s_x[i]->dw_corr) == 0)
+				continue;
+			l_z = fabs(lz);
+			a3 = s_x[i]->dw_a3;
+			if (a3 != 0 && a3 > -5.01 && a3 < 4.99)
+			{
+				// with the phreeqc equation...
+				s_ptr = s_x[i];
+				a = (s_ptr->dw_a ? s_ptr->dw_a : 1.6);
+				a2 = (s_ptr->dw_a2 ? s_ptr->dw_a2 : 4.73);
+				a3 = pow(mu_x, a3);
+				if (print_viscosity)
+					av = (s_ptr->dw_a_visc ? pow((viscos_0 / viscos), s_ptr->dw_a_visc) : 1);
+				else
+					av = 1.0;
+				ka = DH_B * a2 * sqrt_mu / (1 + a3);
+				ff = av * exp(-a * DH_A * l_z * sqrt_mu / (1 + ka));
+
+				Dw *= ff;
+				if (correct_Dw)
+					s_x[i]->dw_corr = Dw;
+				s_x[i]->dw_t_SC = s_x[i]->moles / mass_water_aq_x * l_z * l_z * Dw;
+				SC += s_x[i]->dw_t_SC * 1e3 * Dw_SC;
+			}
+			else
+			{
+				// Falkenhagen...
+				if (!a3) a3 = 10;
+				a = (s_x[i]->dw_a ? s_x[i]->dw_a : 3.5);
+				a2 = (s_x[i]->dw_a2);// ? s_x[i]->dw_a2 : 0.5);
+				av = (s_x[i]->dw_a_visc);// ? s_x[i]->dw_a_visc : 0.8);
+				if (lz < -0.5/* && lz > -1.5*/)
+				{
+					// Mg and Ca give different numbers than H+, Li+, Na+ and K for anions...
+					t1 = (z_plus - 1);
+					//a -=  a3 / 1000 * l_z * t1;
+					//a2 += a3 / 1000 * l_z * t1;
+					a -=  0.126 * l_z * t1;
+					a2 += 0.126 * l_z * t1;
+					//av += 0 * t1;
+				}
+				Dw *= Dw_SC * l_z;
+				if (!a2 || !strcmp(s_x[i]->name, "H+"))
+					t1 = 1;
+				else
+				{
+					v0 = calc_vm0(s_x[i]->name, tc_x, 1, 0);
+					t1 = 1 + (s_x[i]->rxn_x.logk[vm_tc] - v0);
+					if (a2 && t1 > 0)
+						t1 = pow(t1, a2);
+					//t1 = (t1 <= a3 / 10 ? a3 / 10 : t1);
+					t1 = (t1 < 1 ? 1 : t1);
+				}
+				if (a3 >= 5)
+					// with the vm correction of a in ka..
+					ka = DH_B * a * t1 * sqrt_mu;
+				else
+					// with a mu^dw_a2 correction of a..
+					ka = DH_B * a * pow((double)mu_x, a2);
+
+				t1 = (Dw - B2 * l_z * sqrt_mu / (1 + ka)) *
+					(1 - B1 * sqrt_mu / ((1 + ka) * (1 + ka)));// +ka * ka / 6))); // S.cm2/eq / (kgw/L)
+				//t1 = (Dw - B2 * l_z * sqrt_mu / (1 + ka)) *
+				//	(1 - B1 * sqrt_mu / ((1 + ka) *(1 + ka * sqrt_q + ka * ka / 6))); // S.cm2/eq / (kgw/L)
+				if (av)
+					t1 *= pow(viscos_0 / viscos, av);
+				if (correct_Dw)
+					s_x[i]->dw_corr *= t1 / Dw * pow(mass_water_aq_x / calc_solution_volume(), 2);
+
+				// fractional contribution in mu, and correct for charge imbalance
+				a2 = 2 / (eq_plus + eq_min);
+				a = (lz > 0 ? mu_plus / (eq_plus * a2) : mu_min / (eq_min * a2));
+				t1 *= s_x[i]->moles * l_z * l_z / a;
+				t1 *= ll_SC;
+				s_x[i]->dw_t_SC = t1 / (1e3 * Dw_SC);
+				SC += t1;
+			}
+		}
+		return SC;
 	}
 }
-// Falkenhagen, q = (Sum(z1 * m1*Dw1) + Sum(z2 *m2*Dw2)) / ((Sum(m1*Dw1) + Sum(m2*Dw2))(av_z1 + av_z2))
-z_plus = eq_plus / m_plus; // |av_z1|
-z_min = eq_min / m_min;    // |av_z2|
-q = (eq_dw_plus + eq_dw_min) / (Sum_m_dw * (z_min + z_plus));
-t1 = 1.60218e-19 * 1.60218e-19 / (6 * pi);
-B1 = t1 / (2 * 8.8542e-12 * eps_r * 1.38066e-23 * tk_x) *
-q / (1 + sqrt(q)) * DH_B * 1e10 * z_plus * z_min;  // DH_B is per Angstrom (*1e10)
-t2 = viscos_0; // (1 - 0.5) * viscos_0 + 0.5 * viscos;
-B2 = t1 * AVOGADRO / t2 * DH_B * 1e17;  // DH_B per Angstrom (*1e10), viscos in mPa.s (*1e3), B2 in cm2 (*1e4)
-
-Dw_SC = viscos_0_25 / t2 * 1e4 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298160.0);
-for (i = 0; i < (int)this->s_x.size(); i++)
-{
-	if (s_x[i]->type != AQ && s_x[i]->type != HPLUS)
-		continue;
-	if ((l_z = fabs(s_x[i]->z)) == 0)
-		continue;
-	if ((lm = s_x[i]->lm) < -9)
-		continue;
-	if ((Dw = s_x[i]->dw) == 0)
-		Dw = 1e-9;
-
-	Dw *= Dw_SC;
-	if (s_x[i]->dw_t)
-		Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15); // the viscosity factor is in Dw_SC
-	a = (s_x[i]->dw_a ? s_x[i]->dw_a : 3.5);
-	ka = DH_B * a;
-	if (s_x[i]->dw_a2)
-		ka *= pow((double)mu_x, s_x[i]->dw_a2);
-	else
-		ka *= sqrt_mu;
-
-	// Falkenhagen...
-	//SC += under(lm) * l_z * l_z * (Dw - B2 * l_z * sqrt_mu / (1 + ka)) * (1 - B1 * sqrt_mu /
-	//		((1 + ka) * (1 + ka * sqrt(q) + ka * ka / 6)));
-
-	t1 = (Dw - (B1 * Dw + B2) * sqrt_mu / (1 + ka));
-	//t1 = (Dw - (B1 * Dw + B2 * sqrt(l_z)) *	sqrt_mu / (1 + ka));
-	//t1 = (Dw - (B1 * Dw + B2 * l_z * l_z) *	sqrt_mu / (1 + ka));
-	if (t1 > 0)
-		SC += under(lm) * l_z * l_z * t1;
-}
-return (SC * 1e3);
-#endif
 
 /* VP: Density Start */
 /* ---------------------------------------------------------------------- */
@@ -622,11 +605,14 @@ calc_dens(void)
 		V_solutes += s_x[i]->moles * s_x[i]->logk[vm_tc];
 	}
 	/* If pure water then return rho_0 */
-	if (M_T == 0)
-		return rho_0;
-	else
-		return rho_0 * (1e3 + M_T / mass_water_aq_x) / (rho_0 * V_solutes / mass_water_aq_x + 1e3);
-
+	density_x = rho_0;
+	if (M_T > 0.0)
+	{
+		density_x = rho_0 * (1e3 + M_T / mass_water_aq_x) / (rho_0 * V_solutes / mass_water_aq_x + 1e3);
+	}
+	solution_mass_x = 1e-3*(M_T + s_h2o->moles * s_h2o->gfw);
+	solution_volume_x = solution_mass_x / density_x;
+	return density_x;
 	//M_T /= 1e3;
 	//solution_mass =  mass_water_aq_x + M_T;
 	//V_solutes = M_T - rho_0 * V_solutes / 1e3;
@@ -638,7 +624,7 @@ calc_dens(void)
 }
 /* VP: Density End */
 /* DP: Function for interval halving */
-
+#ifdef NOT_USED
 LDBLE Phreeqc::
 f_rho(LDBLE rho_old, void* cookie)
 /* ---------------------------------------------------------------------- */
@@ -656,7 +642,8 @@ f_rho(LDBLE rho_old, void* cookie)
 	rho = rho + pThis->rho_0;
 	return (rho - rho_old);
 }
-
+#endif
+#ifdef original
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
 calc_solution_volume(void)
@@ -687,7 +674,19 @@ calc_solution_volume(void)
 	LDBLE vol = 1e-3 * total_mass / rho;
 	return (vol);
 }
-
+#endif
+/* ---------------------------------------------------------------------- */
+LDBLE Phreeqc::
+calc_solution_volume(void)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *   Calculates solution volume based on sum of mass of element plus density
+	 */
+	LDBLE rho = calc_dens();
+	LDBLE vol = solution_volume_x;
+	return (vol);
+}
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
 calc_logk_n(const char* name)
@@ -769,7 +768,7 @@ calc_logk_s(const char* name)
 	class species* s_ptr;
 	LDBLE lk, l_logk[MAX_LOG_K_INDICES];
 
-	 Utilities::strcpy_safe(token, MAX_LENGTH, name);
+	Utilities::strcpy_safe(token, MAX_LENGTH, name);
 	s_ptr = s_search(token);
 	if (s_ptr != NULL)
 	{
@@ -1190,6 +1189,29 @@ diff_layer_total(const char* total_name, const char* surface_name)
 			return (0);
 		}
 	}
+	else if (strcmp_nocase("viscos_ddl", total_name) == 0)
+	{
+		if (dl_type_x != cxxSurface::NO_DL)
+		{
+			cxxSurfaceCharge* charge_ptr = use.Get_surface_ptr()->Find_charge(x[j]->surface_charge);
+			if (charge_ptr->Get_mass_water() > 0)
+			{
+				cxxSurface * surf_ptr = use.Get_surface_ptr();
+				if (surf_ptr->Get_calc_viscosity())
+				{
+					viscosity(surf_ptr);
+					viscosity(nullptr);
+					return charge_ptr->Get_DDL_viscosity();
+				}
+				else
+					return charge_ptr->Get_DDL_viscosity() * viscos;
+			}
+		}
+		else
+		{
+			return (0);
+		}
+	}
 	/*
 	 *   find total moles of each element in diffuse layer...
 	 */
@@ -1246,7 +1268,7 @@ calc_t_sc(const char* name)
 		calc_SC();
 		if (!SC)
 			return (0);
-		LDBLE t = s_ptr->dw_t_SC * 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298150.0) * viscos_0_25 / viscos_0;
+		LDBLE t = s_ptr->dw_t_SC * 1e7 * F_C_MOL * F_C_MOL / (R_KJ_DEG_MOL * 298150.0);
 		return (t / SC);
 	}
 	return (0);
@@ -1387,7 +1409,7 @@ equi_phase_delta(const char* phase_name)
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-equivalent_fraction(const char* name, LDBLE * eq, std::string & elt_name)
+equivalent_fraction(const char* name, LDBLE* eq, std::string& elt_name)
 /* ---------------------------------------------------------------------- */
 {
 	class species* s_ptr = s_search(name);
@@ -1793,7 +1815,7 @@ pr_pressure(const char* phase_name)
 			class phase* phase_ptr_gas = phase_bsearch(gas_comp_ptr->Get_phase_name().c_str(), &j, FALSE);
 			if (phase_ptr == phase_ptr_gas)
 			{
-				if (gas_phase_ptr->Get_pr_in())
+				if (gas_phase_ptr->Get_pr_in() && phase_ptr->moles_x)
 				{
 					return phase_ptr->pr_p;
 				}
@@ -1841,7 +1863,7 @@ pr_phi(const char* phase_name)
 			class phase* phase_ptr_gas = phase_bsearch(gas_comp_ptr->Get_phase_name().c_str(), &j, FALSE);
 			if (phase_ptr == phase_ptr_gas)
 			{
-				if (gas_phase_ptr->Get_pr_in())
+				if (gas_phase_ptr->Get_pr_in() && phase_ptr->moles_x)
 					return phase_ptr->pr_phi;
 				else
 					return gas_comp_ptr->Get_phi();
@@ -1888,7 +1910,7 @@ saturation_ratio(const char* phase_name)
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-saturation_index(const char* phase_name, LDBLE * iap, LDBLE * si)
+saturation_index(const char* phase_name, LDBLE* iap, LDBLE* si)
 /* ---------------------------------------------------------------------- */
 {
 	class rxn_token* rxn_ptr;
@@ -2062,7 +2084,7 @@ sum_match_ss(const char* mytemplate, const char* name)
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-list_ss(std::string ss_name, cxxNameDouble & composition)
+list_ss(std::string ss_name, cxxNameDouble& composition)
 /* ---------------------------------------------------------------------- */
 {
 	LDBLE tot = 0;
@@ -2711,7 +2733,7 @@ total_mole(const char* total_name)
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-get_edl_species(cxxSurfaceCharge & charge_ref)
+get_edl_species(cxxSurfaceCharge& charge_ref)
 /* ---------------------------------------------------------------------- */
 {
 
@@ -2749,7 +2771,7 @@ get_edl_species(cxxSurfaceCharge & charge_ref)
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-edl_species(const char* surf_name, LDBLE * count, char*** names, LDBLE * *moles, LDBLE * area, LDBLE * thickness)
+edl_species(const char* surf_name, LDBLE* count, char*** names, LDBLE** moles, LDBLE* area, LDBLE* thickness)
 /* ---------------------------------------------------------------------- */
 {
 	/*
@@ -2806,8 +2828,8 @@ edl_species(const char* surf_name, LDBLE * count, char*** names, LDBLE * *moles,
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-system_total(const char* total_name, LDBLE * count, char*** names,
-	char*** types, LDBLE * *moles, int isort)
+system_total(const char* total_name, LDBLE* count, char*** names,
+	char*** types, LDBLE** moles, int isort)
 	/* ---------------------------------------------------------------------- */
 {
 	/*
@@ -2922,7 +2944,7 @@ system_total(const char* total_name, LDBLE * count, char*** names,
 
 /* ---------------------------------------------------------------------- */
 std::string Phreeqc::
-kinetics_formula(std::string kin_name, cxxNameDouble & stoichiometry)
+kinetics_formula(std::string kin_name, cxxNameDouble& stoichiometry)
 /* ---------------------------------------------------------------------- */
 {
 	/*
@@ -2973,7 +2995,7 @@ kinetics_formula(std::string kin_name, cxxNameDouble & stoichiometry)
 }
 /* ---------------------------------------------------------------------- */
 std::string Phreeqc::
-phase_formula(std::string phase_name, cxxNameDouble & stoichiometry)
+phase_formula(std::string phase_name, cxxNameDouble& stoichiometry)
 /* ---------------------------------------------------------------------- */
 {
 	/*
@@ -2996,7 +3018,7 @@ phase_formula(std::string phase_name, cxxNameDouble & stoichiometry)
 }
 /* ---------------------------------------------------------------------- */
 std::string Phreeqc::
-species_formula(std::string phase_name, cxxNameDouble & stoichiometry)
+species_formula(std::string phase_name, cxxNameDouble& stoichiometry)
 /* ---------------------------------------------------------------------- */
 {
 	/*
@@ -3028,6 +3050,109 @@ species_formula(std::string phase_name, cxxNameDouble & stoichiometry)
 	return (formula);
 }
 
+/* ---------------------------------------------------------------------- */
+std::string Phreeqc::
+phase_equation(std::string phase_name, std::vector<std::pair<std::string, double> >& stoichiometry)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *   Returns equation
+	 *   Also returns arrays of species and stoichiometry in stoichiometry
+	 */
+	stoichiometry.clear();
+	std::ostringstream eq, lhs, rhs;
+	int j = -1;
+	class phase* phase_ptr = phase_bsearch(phase_name.c_str(), &j, FALSE);
+	bool rhs_started = false;
+	bool lhs_started = false;
+	if (phase_ptr != NULL)
+	{
+		std::vector<rxn_token>::iterator it = phase_ptr->rxn.Get_tokens().begin();
+		for (; it->name != NULL; it++)
+		{
+			if (!lhs_started)
+			{
+				std::pair<std::string, double> item(phase_ptr->formula, it->coef);
+				stoichiometry.push_back(item);
+			}
+			else
+			{
+				std::pair<std::string, double> item(it->name, it->coef);
+				stoichiometry.push_back(item);
+			}
+			if (it->coef < 0.0)
+			{
+				if (lhs_started) lhs << "+ ";
+				if (it->coef != -1.0)
+				{
+					lhs << -it->coef;
+				}
+				lhs << it->name << " ";
+				lhs_started = true;
+			}
+			else if (it->coef > 0.0)
+			{
+				if (rhs_started) rhs << "+ ";
+				if (it->coef != 1.0)
+				{
+					rhs << it->coef;
+				}
+				rhs << it->name << " ";
+				rhs_started = true;
+			}
+		}
+	}
+	eq << lhs.str() << "= " << rhs.str();
+	return (eq.str());
+}
+
+/* ---------------------------------------------------------------------- */
+std::string Phreeqc::
+species_equation(std::string species_name, std::vector<std::pair<std::string, double> >& stoichiometry)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *   Returns equation
+	 *   Also returns arrays of species and stoichiometry in stoichiometry
+	 */
+	stoichiometry.clear();
+	std::ostringstream eq, lhs, rhs;;
+	class species* s_ptr = s_search(species_name.c_str());
+	bool rhs_started = false;
+	bool lhs_started = false;
+	if (s_ptr != NULL)
+	{
+		std::vector<rxn_token>::iterator it = s_ptr->rxn.Get_tokens().begin();
+		for ( ; it->name != NULL; it++)
+		{
+			std::pair<std::string, double> item(it->name, it->coef);
+			stoichiometry.push_back(item);
+			if (it->coef > 0.0)
+			{
+				if (lhs_started) lhs << "+ ";
+				if (it->coef != 1.0)
+				{
+					lhs << it->coef;
+				}
+				lhs << it->name << " ";
+				lhs_started = true;
+			}
+			else if (it->coef < 0.0)
+			{
+				if (rhs_started) rhs << "+ ";
+				if (it->coef != -1.0)
+				{
+					rhs << -it->coef;
+				}
+				rhs << it->name << " ";
+				rhs_started = true;
+			}
+		}
+	}
+	eq << lhs.str() << "= " << rhs.str();
+	return (eq.str());
+}
+
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
 system_total_elements(void)
@@ -3186,13 +3311,13 @@ int Phreeqc::
 system_total_aq(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i;
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
 		//if (s_x[i]->type != AQ)
@@ -3213,13 +3338,13 @@ int Phreeqc::
 system_total_ex(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i;
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
 		if (s_x[i]->type != EX)
@@ -3241,13 +3366,13 @@ int Phreeqc::
 system_total_surf(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i;
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
 		if (s_x[i]->type != SURF)
@@ -3266,20 +3391,20 @@ int Phreeqc::
 system_total_gas(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i;
 
-	/*
-	 *   find total in gas phase
-	 */
+/*
+ *   find total in gas phase
+ */
 	if (use.Get_gas_phase_ptr() == NULL)
 		return (OK);
-	cxxGasPhase* gas_phase_ptr = use.Get_gas_phase_ptr();
+	cxxGasPhase *gas_phase_ptr = use.Get_gas_phase_ptr();
 	for (size_t j = 0; j < gas_phase_ptr->Get_gas_comps().size(); j++)
 	{
-		class phase* phase_ptr = phase_bsearch(gas_phase_ptr->Get_gas_comps()[j].Get_phase_name().c_str(),
+		class phase *phase_ptr = phase_bsearch(gas_phase_ptr->Get_gas_comps()[j].Get_phase_name().c_str(), 
 			&i, FALSE);
 		assert(phase_ptr);
 		size_t count_sys = sys.size();
@@ -3296,24 +3421,24 @@ int Phreeqc::
 system_total_equi(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *  Equilibrium phases
-	 */
+/*
+ *  Equilibrium phases
+ */
 	if (use.Get_pp_assemblage_ptr() == NULL)
 		return (OK);
 	std::map <std::string, cxxPPassemblageComp > comps = use.Get_pp_assemblage_ptr()->Get_pp_assemblage_comps();
 	std::map <std::string, cxxPPassemblageComp >::iterator it = comps.begin();
-	for (; it != comps.end(); it++)
+	for  ( ; it != comps.end(); it++)
 	{
-		cxxPPassemblageComp* comp_ptr = &(it->second);
-		int l;
-		class phase* phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
-		size_t count_sys = sys.size();
-		sys.resize(count_sys + 1);
-		sys[count_sys].name = string_duplicate(phase_ptr->name);
-		sys[count_sys].moles = equi_phase(sys[count_sys].name);
-		sys_tot += sys[count_sys].moles;
-		sys[count_sys].type = string_duplicate("equi");
+			cxxPPassemblageComp *comp_ptr = &(it->second);
+			int l;
+			class phase *phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
+			size_t count_sys = sys.size();
+			sys.resize(count_sys + 1);
+			sys[count_sys].name = string_duplicate(phase_ptr->name);
+			sys[count_sys].moles = equi_phase(sys[count_sys].name);
+			sys_tot += sys[count_sys].moles;
+			sys[count_sys].type = string_duplicate("equi");
 	}
 	return (OK);
 }
@@ -3322,21 +3447,21 @@ int Phreeqc::
 system_total_kin(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *  Equilibrium phases
-	 */
+/*
+ *  Equilibrium phases
+ */
 	if (use.Get_kinetics_ptr() == NULL)
 		return (OK);
 	std::vector <cxxKineticsComp> comps = use.Get_kinetics_ptr()->Get_kinetics_comps();
-	for (size_t i = 0; i < comps.size(); i++)
+	for  (size_t i=0 ; i < comps.size(); i++)
 	{
-		cxxKineticsComp* comp_ptr = &comps[i];
-		size_t count_sys = sys.size();
-		sys.resize(count_sys + 1);
-		sys[count_sys].name = string_duplicate(comp_ptr->Get_rate_name().c_str());
-		sys[count_sys].moles = comp_ptr->Get_m();
-		sys_tot += sys[count_sys].moles;
-		sys[count_sys].type = string_duplicate("kin");
+			cxxKineticsComp *comp_ptr = &comps[i];
+			size_t count_sys = sys.size();
+			sys.resize(count_sys + 1);
+			sys[count_sys].name = string_duplicate(comp_ptr->Get_rate_name().c_str());
+			sys[count_sys].moles = comp_ptr->Get_m();
+			sys_tot += sys[count_sys].moles;
+			sys[count_sys].type = string_duplicate("kin");
 	}
 	return (OK);
 }
@@ -3345,24 +3470,24 @@ int Phreeqc::
 system_total_ss(void)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 
-	 /*
-	  *  Solid solutions
-	  */
+/*
+ *  Solid solutions
+ */
 	if (use.Get_ss_assemblage_ptr() == NULL)
 		return (OK);
-	std::vector<cxxSS*> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
+	std::vector<cxxSS *> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
 	for (size_t k = 0; k < ss_ptrs.size(); k++)
 	{
-		cxxSS* ss_ptr = ss_ptrs[k];
+		cxxSS *ss_ptr = ss_ptrs[k];
 		for (size_t i = 0; i < ss_ptr->Get_ss_comps().size(); i++)
 		{
-			cxxSScomp* comp_ptr = &(ss_ptr->Get_ss_comps()[i]);
+			cxxSScomp *comp_ptr = &(ss_ptr->Get_ss_comps()[i]);
 			int l;
-			class phase* phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
+			class phase *phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
 			size_t count_sys = sys.size();
 			sys.resize(count_sys + 1);
 			sys[count_sys].name = string_duplicate(phase_ptr->name);
@@ -3375,19 +3500,19 @@ system_total_ss(void)
 }
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-system_total_elt(const char* total_name)
+system_total_elt(const char *total_name)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i, j, k;
 	LDBLE molality, moles_excess, moles_surface, mass_water_surface;
 	char name[MAX_LENGTH];
 
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
 		count_elts = 0;
@@ -3452,7 +3577,7 @@ system_total_elt(const char* total_name)
 		{
 			if (x[k]->type != SURFACE_CB)
 				continue;
-			cxxSurfaceCharge* charge_ptr = use.Get_surface_ptr()->Find_charge(x[k]->surface_charge);
+			cxxSurfaceCharge *charge_ptr = use.Get_surface_ptr()->Find_charge(x[k]->surface_charge);
 			i++;
 			/*
 			 *   Loop through all surface components, calculate each H2O surface (diffuse layer),
@@ -3469,8 +3594,8 @@ system_total_elt(const char* total_name)
 				moles_excess =
 					mass_water_aq_x * molality *
 					(charge_ptr->Get_g_map()[s_x[j]->z].Get_g() * s_x[j]->erm_ddl +
-						mass_water_surface / mass_water_aq_x * (s_x[j]->erm_ddl -
-							1));
+					 mass_water_surface / mass_water_aq_x * (s_x[j]->erm_ddl -
+															 1));
 				moles_surface = mass_water_surface * molality + moles_excess;
 				/*
 				 *   Accumulate elements in diffuse layer
@@ -3498,9 +3623,9 @@ system_total_elt(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *   find total moles in mineral phases
-	 */
+/*
+ *   find total moles in mineral phases
+ */
 	if (use.Get_pp_assemblage_in() == TRUE && use.Get_pp_assemblage_ptr() != NULL)
 	{
 		for (i = 0; i < count_unknowns; i++)
@@ -3509,7 +3634,7 @@ system_total_elt(const char* total_name)
 				continue;
 			//std::map<std::string, cxxPPassemblageComp>::iterator it;
 			//it =  pp_assemblage_ptr->Get_pp_assemblage_comps().find(x[i]->pp_assemblage_comp_name);
-			cxxPPassemblageComp* comp_ptr = (cxxPPassemblageComp*)x[i]->pp_assemblage_comp_ptr;
+			cxxPPassemblageComp * comp_ptr = (cxxPPassemblageComp * ) x[i]->pp_assemblage_comp_ptr;
 			//if (it->second.Get_add_formula().size() > 0)
 			if (comp_ptr->Get_add_formula().size() > 0)
 				continue;
@@ -3517,7 +3642,7 @@ system_total_elt(const char* total_name)
 			paren_count = 0;
 			int j;
 			//class phase * phase_ptr = phase_bsearch(x[i]->pp_assemblage_comp_name, &j, FALSE);
-			class phase* phase_ptr = x[i]->phase;
+			class phase * phase_ptr = x[i]->phase;
 			add_elt_list(phase_ptr->next_elt, x[i]->moles);
 			elt_list_combine();
 			for (j = 0; j < count_elts; j++)
@@ -3535,26 +3660,26 @@ system_total_elt(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *  Solid solutions
-	 */
+/*
+ *  Solid solutions
+ */
 	if (use.Get_ss_assemblage_ptr() != NULL)
 	{
-		std::vector<cxxSS*> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
+		std::vector<cxxSS *> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
 		for (size_t k = 0; k < ss_ptrs.size(); k++)
 		{
-			cxxSS* ss_ptr = ss_ptrs[k];
+			cxxSS *ss_ptr = ss_ptrs[k];
 			if (ss_ptr->Get_ss_in())
 			{
 				for (size_t i = 0; i < ss_ptr->Get_ss_comps().size(); i++)
 				{
-					cxxSScomp* comp_ptr = &(ss_ptr->Get_ss_comps()[i]);
+					cxxSScomp *comp_ptr = &(ss_ptr->Get_ss_comps()[i]);
 					int l;
-					class phase* phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
+					class phase *phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
 					count_elts = 0;
 					paren_count = 0;
 					add_elt_list(phase_ptr->next_elt,
-						comp_ptr->Get_moles());
+								 comp_ptr->Get_moles());
 					elt_list_combine();
 					for (j = 0; j < count_elts; j++)
 					{
@@ -3574,15 +3699,15 @@ system_total_elt(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *   find total in gas phase
-	 */
+/*
+ *   find total in gas phase
+ */
 	if (use.Get_gas_phase_ptr() != NULL)
 	{
-		cxxGasPhase* gas_phase_ptr = use.Get_gas_phase_ptr();
+		cxxGasPhase *gas_phase_ptr = use.Get_gas_phase_ptr();
 		for (size_t i = 0; i < gas_phase_ptr->Get_gas_comps().size(); i++)
 		{
-			class phase* phase_ptr =
+			class phase *phase_ptr = 
 				phase_bsearch(gas_phase_ptr->Get_gas_comps()[i].Get_phase_name().c_str(), &k, FALSE);
 			assert(phase_ptr);
 			if (phase_ptr->in == TRUE)
@@ -3615,19 +3740,19 @@ system_total_elt(const char* total_name)
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-system_total_elt_secondary(const char* total_name)
+system_total_elt_secondary(const char *total_name)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i, j, k, l;
 	LDBLE molality, moles_excess, moles_surface, mass_water_surface, sum,
 		coef;
 	char name[MAX_LENGTH];
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
 		count_elts = 0;
@@ -3693,7 +3818,7 @@ system_total_elt_secondary(const char* total_name)
 		{
 			if (x[k]->type != SURFACE_CB)
 				continue;
-			cxxSurfaceCharge* charge_ptr = use.Get_surface_ptr()->Find_charge(x[k]->surface_charge);
+			cxxSurfaceCharge *charge_ptr = use.Get_surface_ptr()->Find_charge(x[k]->surface_charge);
 			i++;
 			/*
 			 *   Loop through all surface components, calculate each H2O surface (diffuse layer),
@@ -3744,9 +3869,9 @@ system_total_elt_secondary(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *   find total moles in mineral phases
-	 */
+/*
+ *   find total moles in mineral phases
+ */
 	if (use.Get_pp_assemblage_in() == TRUE && use.Get_pp_assemblage_ptr() != NULL)
 	{
 		for (i = 0; i < count_unknowns; i++)
@@ -3755,7 +3880,7 @@ system_total_elt_secondary(const char* total_name)
 				continue;
 			//std::map<std::string, cxxPPassemblageComp>::iterator it;
 			//it =  pp_assemblage_ptr->Get_pp_assemblage_comps().find(x[i]->pp_assemblage_comp_name);
-			cxxPPassemblageComp* comp_ptr = (cxxPPassemblageComp*)x[i]->pp_assemblage_comp_ptr;
+			cxxPPassemblageComp * comp_ptr = (cxxPPassemblageComp * ) x[i]->pp_assemblage_comp_ptr;
 			//if (it->second.Get_add_formula().size() > 0)
 			if (comp_ptr->Get_add_formula().size() > 0)
 				continue;
@@ -3763,8 +3888,8 @@ system_total_elt_secondary(const char* total_name)
 			paren_count = 0;
 			int j;
 			//class phase * phase_ptr = phase_bsearch(x[i]->pp_assemblage_comp_name, &j, FALSE);
-			class phase* phase_ptr = x[i]->phase;
-			add_elt_list(phase_ptr->next_sys_total, x[i]->moles);
+			class phase * phase_ptr = x[i]->phase;
+			add_elt_list(phase_ptr->next_sys_total,	 x[i]->moles);
 			elt_list_combine();
 			for (j = 0; j < count_elts; j++)
 			{
@@ -3782,26 +3907,26 @@ system_total_elt_secondary(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *  Solid solutions
-	 */
+/*
+ *  Solid solutions
+ */
 	if (use.Get_ss_assemblage_ptr() != NULL)
 	{
-		std::vector<cxxSS*> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
+		std::vector<cxxSS *> ss_ptrs = use.Get_ss_assemblage_ptr()->Vectorize();
 		for (size_t i = 0; i < ss_ptrs.size(); i++)
 		{
-			cxxSS* ss_ptr = ss_ptrs[i];
+			cxxSS *ss_ptr = ss_ptrs[i];
 			if (ss_ptr->Get_ss_in())
 			{
 				for (size_t k = 0; k < ss_ptr->Get_ss_comps().size(); k++)
 				{
-					cxxSScomp* comp_ptr = &(ss_ptr->Get_ss_comps()[k]);
+					cxxSScomp *comp_ptr = &(ss_ptr->Get_ss_comps()[k]);
 					int l;
-					class phase* phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
+					class phase *phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
 					count_elts = 0;
 					paren_count = 0;
 					add_elt_list(phase_ptr->next_sys_total,
-						comp_ptr->Get_moles());
+								 comp_ptr->Get_moles());
 					elt_list_combine();
 					for (j = 0; j < count_elts; j++)
 					{
@@ -3821,15 +3946,15 @@ system_total_elt_secondary(const char* total_name)
 			}
 		}
 	}
-	/*
-	 *   find total in gas phase
-	 */
+/*
+ *   find total in gas phase
+ */
 	if (use.Get_gas_phase_ptr() != NULL)
 	{
-		cxxGasPhase* gas_phase_ptr = use.Get_gas_phase_ptr();
-		for (size_t j = 0; j < gas_phase_ptr->Get_gas_comps().size(); j++)
+		cxxGasPhase *gas_phase_ptr = use.Get_gas_phase_ptr();
+		for (size_t j = 0; j < gas_phase_ptr->Get_gas_comps().size(); j++)	
 		{
-			class phase* phase_ptr =
+			class phase *phase_ptr = 
 				phase_bsearch(gas_phase_ptr->Get_gas_comps()[j].Get_phase_name().c_str(), &i, FALSE);
 			assert(phase_ptr);
 			if (phase_ptr->in == TRUE)
@@ -3837,13 +3962,13 @@ system_total_elt_secondary(const char* total_name)
 				count_elts = 0;
 				paren_count = 0;
 				add_elt_list(phase_ptr->next_sys_total,
-					phase_ptr->moles_x);
+							 phase_ptr->moles_x);
 
 				elt_list_combine();
 				/*
 				 *   Look for element
 				 */
-				for (size_t j1 = 0; j1 < (size_t)count_elts; j1++)
+				for (size_t j1 = 0; j1 < (size_t) count_elts; j1++)
 				{
 					if (strcmp(elt_list[j1].elt->name, total_name) == 0)
 					{
@@ -3867,7 +3992,7 @@ int Phreeqc::
 solution_number(void)
 /* ---------------------------------------------------------------------- */
 {
-	Phreeqc* PhreeqcPtr = this;
+	Phreeqc * PhreeqcPtr = this;
 	int soln_no = -999;
 	if (PhreeqcPtr->state == TRANSPORT)
 	{
@@ -3900,17 +4025,17 @@ solution_number(void)
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-solution_sum_secondary(const char* total_name)
+solution_sum_secondary(const char *total_name)
 /* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in system and lists of species/phases in sort order
-	 */
+/*
+ *   Provides total moles in system and lists of species/phases in sort order
+ */
 	int i, j;
 	LDBLE sum;
-	/*
-	 *   find total moles in aq, surface, and exchange
-	 */
+/*
+ *   find total moles in aq, surface, and exchange
+ */
 	sum = 0;
 	for (i = 0; i < (int)this->s_x.size(); i++)
 	{
@@ -3944,13 +4069,13 @@ solution_sum_secondary(const char* total_name)
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-system_species_compare(const void* ptr1, const void* ptr2)
+system_species_compare(const void *ptr1, const void *ptr2)
 /* ---------------------------------------------------------------------- */
 {
-	const class system_species* a, * b;
+	const class system_species *a, *b;
 
-	a = (const class system_species*)ptr1;
-	b = (const class system_species*)ptr2;
+	a = (const class system_species *) ptr1;
+	b = (const class system_species *) ptr2;
 	if (a->moles < b->moles)
 		return (1);
 	if (a->moles > b->moles)
@@ -3970,21 +4095,21 @@ system_species_compare_name(const void* ptr1, const void* ptr2)
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
-system_total_solids(cxxExchange * exchange_ptr,
-	cxxPPassemblage * pp_assemblage_ptr,
-	cxxGasPhase * gas_phase_ptr,
-	cxxSSassemblage * ss_assemblage_ptr,
-	cxxSurface * surface_ptr)
-	/* ---------------------------------------------------------------------- */
+system_total_solids(cxxExchange *exchange_ptr,
+					cxxPPassemblage *pp_assemblage_ptr,
+					cxxGasPhase *gas_phase_ptr,
+					cxxSSassemblage *ss_assemblage_ptr,
+					cxxSurface *surface_ptr)
+/* ---------------------------------------------------------------------- */
 {
-	/*
-	 *   Provides total moles in solid phases
-	 */
+/*
+ *   Provides total moles in solid phases
+ */
 	count_elts = 0;
 	paren_count = 0;
-	/*
-	 *   find total moles in exchanger
-	 */
+/*
+ *   find total moles in exchanger
+ */
 	if (exchange_ptr != NULL)
 	{
 		for (size_t i = 0; i < exchange_ptr->Get_exchange_comps().size(); i++)
@@ -4001,17 +4126,17 @@ system_total_solids(cxxExchange * exchange_ptr,
 	}
 	if (ss_assemblage_ptr != NULL)
 	{
-		std::vector<cxxSS*> ss_ptrs = ss_assemblage_ptr->Vectorize();
+		std::vector<cxxSS *> ss_ptrs = ss_assemblage_ptr->Vectorize();
 		for (size_t i = 0; i < ss_ptrs.size(); i++)
 		{
-			cxxSS* ss_ptr = ss_ptrs[i];
+			cxxSS *ss_ptr = ss_ptrs[i];
 			for (size_t j = 0; j < ss_ptr->Get_ss_comps().size(); j++)
 			{
-				cxxSScomp* comp_ptr = &(ss_ptr->Get_ss_comps()[j]);
+				cxxSScomp *comp_ptr = &(ss_ptr->Get_ss_comps()[j]);
 				int l;
-				class phase* phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
+				class phase *phase_ptr = phase_bsearch(comp_ptr->Get_name().c_str(), &l, FALSE);
 				add_elt_list(phase_ptr->next_elt,
-					comp_ptr->Get_moles());
+							 comp_ptr->Get_moles());
 			}
 		}
 	}
@@ -4020,7 +4145,7 @@ system_total_solids(cxxExchange * exchange_ptr,
 		for (size_t j = 0; j < gas_phase_ptr->Get_gas_comps().size(); j++)
 		{
 			int i;
-			class phase* phase_ptr =
+			class phase *phase_ptr = 
 				phase_bsearch(gas_phase_ptr->Get_gas_comps()[j].Get_phase_name().c_str(), &i, FALSE);
 			add_elt_list(phase_ptr->next_elt, gas_phase_ptr->Get_gas_comps()[j].Get_moles());
 		}
@@ -4028,13 +4153,13 @@ system_total_solids(cxxExchange * exchange_ptr,
 	if (pp_assemblage_ptr != NULL)
 	{
 		std::map<std::string, cxxPPassemblageComp>::iterator it;
-		it = pp_assemblage_ptr->Get_pp_assemblage_comps().begin();
-		for (; it != pp_assemblage_ptr->Get_pp_assemblage_comps().end(); it++)
+		it =  pp_assemblage_ptr->Get_pp_assemblage_comps().begin();
+		for ( ; it != pp_assemblage_ptr->Get_pp_assemblage_comps().end(); it++)
 		{
 			int j;
-			class phase* phase_ptr = phase_bsearch(it->first.c_str(), &j, FALSE);
+			class phase * phase_ptr = phase_bsearch(it->first.c_str(), &j, FALSE);
 			add_elt_list(phase_ptr->next_elt,
-				it->second.Get_moles());
+						 it->second.Get_moles());
 		}
 	}
 	elt_list_combine();
@@ -4042,14 +4167,14 @@ system_total_solids(cxxExchange * exchange_ptr,
 }
 
 LDBLE Phreeqc::
-iso_value(const char* total_name)
+iso_value(const char *total_name)
 {
 	int j;
 	char token[MAX_LENGTH];
 	char my_total_name[MAX_LENGTH];
 	Utilities::strcpy_safe(token, MAX_LENGTH, "");
 	Utilities::strcpy_safe(my_total_name, MAX_LENGTH, total_name);
-	while (replace(" ", "_", my_total_name));
+	while (replace(" ","_",my_total_name));
 	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
 		if (isotope_ratio[j]->ratio == MISSING)
@@ -4059,8 +4184,8 @@ iso_value(const char* total_name)
 		return (isotope_ratio[j]->converted_ratio);
 	}
 	Utilities::strcpy_safe(my_total_name, MAX_LENGTH, total_name);
-	while (replace("[", "", my_total_name));
-	while (replace("]", "", my_total_name));
+	while (replace("[","",my_total_name));
+	while (replace("]","",my_total_name));
 	Utilities::strcat_safe(token, MAX_LENGTH, "R(");
 	Utilities::strcat_safe(token, MAX_LENGTH, my_total_name);
 	Utilities::strcat_safe(token, MAX_LENGTH, ")");
@@ -4075,16 +4200,16 @@ iso_value(const char* total_name)
 	return -1000.;
 }
 
-char* Phreeqc::
-iso_unit(const char* total_name)
+char * Phreeqc::
+iso_unit(const char *total_name)
 {
 	int j;
 	char token[MAX_LENGTH], unit[MAX_LENGTH];
-	class master_isotope* master_isotope_ptr;
+	class master_isotope *master_isotope_ptr;
 	char my_total_name[MAX_LENGTH];
 	Utilities::strcpy_safe(token, MAX_LENGTH, "");
 	Utilities::strcpy_safe(my_total_name, MAX_LENGTH, total_name);
-	while (replace(" ", "_", my_total_name));
+	while (replace(" ","_",my_total_name));
 	Utilities::strcpy_safe(unit, MAX_LENGTH, "unknown");
 	for (j = 0; j < (int)isotope_ratio.size(); j++)
 	{
@@ -4100,8 +4225,8 @@ iso_unit(const char* total_name)
 		return string_duplicate(unit);
 	}
 	Utilities::strcpy_safe(my_total_name, MAX_LENGTH, total_name);
-	while (replace("[", "", my_total_name));
-	while (replace("]", "", my_total_name));
+	while (replace("[","",my_total_name));
+	while (replace("]","",my_total_name));
 	Utilities::strcat_safe(token, MAX_LENGTH, "R(");
 	Utilities::strcat_safe(token, MAX_LENGTH, my_total_name);
 	Utilities::strcat_safe(token, MAX_LENGTH, ")");
@@ -4122,13 +4247,13 @@ iso_unit(const char* total_name)
 }
 
 int Phreeqc::
-basic_compile(const char* commands, void** lnbase, void** vbase, void** lpbase)
+basic_compile(const char *commands, void **lnbase, void **vbase, void **lpbase)
 {
 	return this->basic_interpreter->basic_compile(commands, lnbase, vbase, lpbase);
 }
 
 int Phreeqc::
-basic_run(char* commands, void* lnbase, void* vbase, void* lpbase)
+basic_run(char *commands, void *lnbase, void *vbase, void *lpbase)
 {
 	return this->basic_interpreter->basic_run(commands, lnbase, vbase, lpbase);
 }
@@ -4145,7 +4270,7 @@ basic_free(void)
 #include "BasicCallback.h"
 
 double Phreeqc::
-basic_callback(double x1, double x2, const char* str)
+basic_callback(double x1, double x2, const char * str)
 {
 	if (this->basicCallback)
 	{
@@ -4158,10 +4283,10 @@ basic_callback(double x1, double x2, const char* str)
 
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
 double Phreeqc::
-basic_callback(double x1, double x2, char* str)
+basic_callback(double x1, double x2, const char * str)
 #else
 double Phreeqc::
-basic_callback(double x1, double x2, const char* str)
+basic_callback(double x1, double x2, const char * str)
 #endif
 {
 	double local_x1 = x1;
@@ -4169,35 +4294,35 @@ basic_callback(double x1, double x2, const char* str)
 
 	if (basic_callback_ptr != NULL)
 	{
-		return (*basic_callback_ptr) (x1, x2, (const char*)str, basic_callback_cookie);
+		return (*basic_callback_ptr) (x1, x2, str, basic_callback_cookie);
 	}
 	if (basic_fortran_callback_ptr != NULL)
 	{
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-		return (*basic_fortran_callback_ptr) (&local_x1, &local_x2, str, (int)strlen(str));
+		return (*basic_fortran_callback_ptr) (&local_x1, &local_x2, str, (int) strlen(str));
 #else
-		return (*basic_fortran_callback_ptr) (&local_x1, &local_x2, str, (int)strlen(str));
+		return (*basic_fortran_callback_ptr) (&local_x1, &local_x2, str, (int) strlen(str));
 #endif
 	}
 	return 0;
 }
 
-void
-Phreeqc::register_basic_callback(double (*fcn)(double x1, double x2, const char* str, void* cookie), void* cookie1)
+void 
+Phreeqc::register_basic_callback(double (*fcn)(double x1, double x2, const char *str, void *cookie), void *cookie1)
 {
 	this->basic_callback_ptr = fcn;
 	this->basic_callback_cookie = cookie1;
 }
 #ifdef IPHREEQC_NO_FORTRAN_MODULE
-void
-Phreeqc::register_fortran_basic_callback(double (*fcn)(double* x1, double* x2, char* str, size_t l))
+void 
+Phreeqc::register_fortran_basic_callback(double ( *fcn)(double *x1, double *x2, const char *str, size_t l))
 {
 	this->basic_fortran_callback_ptr = fcn;
 }
 #else
 
-void
-Phreeqc::register_fortran_basic_callback(double (*fcn)(double* x1, double* x2, const char* str, int l))
+void 
+Phreeqc::register_fortran_basic_callback(double ( *fcn)(double *x1, double *x2, const char *str, int l))
 {
 	this->basic_fortran_callback_ptr = fcn;
 }
diff --git a/src/phreeqcpp/class_main.cpp b/src/phreeqcpp/class_main.cpp
index 03fb3e40..79e6475f 100644
--- a/src/phreeqcpp/class_main.cpp
+++ b/src/phreeqcpp/class_main.cpp
@@ -1,6 +1,8 @@
+#ifndef NPP
 #ifdef DOS
 #include <windows.h>
 #endif
+#endif
 #include "Phreeqc.h"
 
 #include "NameDouble.h"
@@ -122,12 +124,18 @@ main_method(int argc, char *argv[])
 	{
 		return errors;
 	}
+#ifdef NPP
+#ifdef DOS
+	write_banner();
+#endif
+#else
 #ifndef NO_UTF8_ENCODING
 #ifdef DOS
 	SetConsoleOutputCP(CP_UTF8);
 #endif
 	write_banner();
 #endif
+#endif
 
 /*
  *   Initialize arrays
@@ -214,11 +222,17 @@ main_method(int argc, char *argv[])
 		{
 			return errors;
 		}
+#ifdef NPP
+#ifdef DOS
+		write_banner();
+#endif
+#else
 #ifndef NO_UTF8_ENCODING
 #ifdef DOS
 		SetConsoleOutputCP(CP_UTF8);
 #endif
 		write_banner();
+#endif
 #endif
 
 		/*
@@ -281,6 +295,64 @@ main_method(int argc, char *argv[])
 	return 0;
 }
 #endif //TEST_COPY
+#ifdef NPP
+/* ---------------------------------------------------------------------- */
+int Phreeqc::
+write_banner(void)
+/* ---------------------------------------------------------------------- */
+{
+#ifdef TESTING
+	return OK;
+#endif
+#ifndef NO_UTF8_ENCODING
+	char buffer[80];
+	int len, indent;
+	screen_msg(
+			   "              ÛßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßßÛ\n");
+	screen_msg(
+			   "              º                                                 º\n");
+
+	/* version */
+#ifdef NPP
+	len = sprintf(buffer, "* PHREEQC-%s *", "3.8.0");
+#else
+	len = sprintf(buffer, "* PHREEQC-%s *", "@VERSION@");
+#endif
+	indent = (49 - len) / 2;
+	screen_msg(sformatf("%14cº%*c%s%*cº\n", ' ', indent, ' ', buffer,
+			   49 - indent - len, ' '));
+
+	screen_msg(
+			   "              º                                                 º\n");
+	screen_msg(
+			   "              º        A hydrogeochemical transport model       º\n");
+	screen_msg(
+			   "              º                                                 º\n");
+	screen_msg(
+			   "              º                       by                        º\n");
+	screen_msg(
+			   "              º         D.L. Parkhurst and C.A.J. Appelo        º\n");
+	screen_msg(
+			   "              º                                                 º\n");
+
+
+	/* date */
+#ifdef NPP
+	len = sprintf(buffer, "%s", "August 27, 2024, with bug-fixes and new items");
+#else
+	len = sprintf(buffer, "%s", "@VER_DATE@");
+#endif
+	indent = (49 - len) / 2;
+	screen_msg(sformatf("%14cº%*c%s%*cº\n", ' ', indent, ' ', buffer,
+			   49 - indent - len, ' '));
+
+	screen_msg(
+			   "              ÛÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÜÛ\n\n");
+
+#endif
+	return 0;
+}
+#else
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
 write_banner(void)
@@ -298,11 +370,7 @@ write_banner(void)
 			   "              â•‘                                            â•‘\n");
 
 	/* version */
-#ifdef NPP
-	len = snprintf(buffer, sizeof(buffer), "* PHREEQC-%s *", "3.7.1");
-#else
 	len = snprintf(buffer, sizeof(buffer), "* PHREEQC-%s *", "@VERSION@");
-#endif
 	indent = (44 - len) / 2;
 	screen_msg(sformatf("%14câ•‘%*c%s%*câ•‘\n", ' ', indent, ' ', buffer,
 			   44 - indent - len, ' '));
@@ -322,11 +390,7 @@ write_banner(void)
 
 
 	/* date */
-#ifdef NPP
-	len = snprintf(buffer, sizeof(buffer), "%s", "March 20, 2023");
-#else
 	len = snprintf(buffer, sizeof(buffer), "%s", "@VER_DATE@");
-#endif
 	indent = (44 - len) / 2;
 	screen_msg(sformatf("%14câ•‘%*c%s%*câ•‘\n", ' ', indent, ' ', buffer,
 			   44 - indent - len, ' '));
@@ -336,6 +400,7 @@ write_banner(void)
 #endif
 	return 0;
 }
+#endif
 
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
@@ -507,7 +572,7 @@ process_file_names(int argc, char *argv[], std::istream **db_cookie,
 		output_msg(sformatf("   Input file: %s\n", in_file.c_str()));
 		output_msg(sformatf("  Output file: %s\n", out_file.c_str()));
 #ifdef NPP
-		output_msg(sformatf("Using PHREEQC: version 3.7.3, compiled March 20, 2023\n"));
+		output_msg(sformatf("Using PHREEQC: version 3.8.2, compiled August 27, 2024, with bug-fixes and new items\n"));
 #endif
 		output_msg(sformatf("Database file: %s\n\n", token.c_str()));
 #ifdef NPP
@@ -516,7 +581,7 @@ process_file_names(int argc, char *argv[], std::istream **db_cookie,
 		/*
 		*   local cleanup
 		*/
-							  
+
 		line = (char *) free_check_null(line);
 		line_save = (char *) free_check_null(line_save);
 
diff --git a/src/phreeqcpp/common/Utils.cxx b/src/phreeqcpp/common/Utils.cxx
index 6738fa9d..b2585a56 100644
--- a/src/phreeqcpp/common/Utils.cxx
+++ b/src/phreeqcpp/common/Utils.cxx
@@ -199,13 +199,17 @@ strcpy_safe(char* dest, size_t max, const char* src)
 	{
 		if (dest == nullptr || src == nullptr)
 		{
+#if !defined(R_SO)
 			std::cerr << "nullptr in Utilities::strcpy_safe." << std::endl;
+#endif
 			throw;
 		}
 		lsrc = strlen(src);
 		if (lsrc + 1 > max)
 		{
+#if !defined(R_SO)
 			std::cerr << "Buffer overrun in Utilities::strcpy_safe." << std::endl;
+#endif
 			throw;
 		}
 		memcpy(dest, src, (lsrc + 1) * sizeof(char));
@@ -224,14 +228,18 @@ strcat_safe(char* dest, size_t max, const char* src)
 	{
 		if (dest == nullptr || src == nullptr)
 		{
+#if !defined(R_SO)
 			std::cerr << "nullptr in Utilities::strcat_safe." << std::endl;
+#endif
 			throw;
 		}
 		lsrc = strlen(src);
 		ldest = strlen(dest);
 		if (ldest + lsrc + 1 > max)
 		{
+#if !defined(R_SO)
 			std::cerr << "Buffer overrun in Utilities::strcat_safe." << std::endl;
+#endif
 			throw;
 		}
 		memcpy(&dest[ldest], src, (lsrc + 1) * sizeof(char));
diff --git a/src/phreeqcpp/gases.cpp b/src/phreeqcpp/gases.cpp
index 9f71089f..bfcc64d7 100644
--- a/src/phreeqcpp/gases.cpp
+++ b/src/phreeqcpp/gases.cpp
@@ -606,11 +606,10 @@ calc_PR(void)
 		{
 			phi = B_r * (rz - 1) - log(rz - B) + A / (2.828427 * B) * (B_r - 2.0 * phase_ptr->pr_aa_sum2 / a_aa_sum) *
 				  log((rz + 2.41421356 * B) / (rz - 0.41421356 * B));
-			//phi = (phi > 4.44 ? 4.44 : (phi < -3 ? -3 : phi));
 			phi = (phi > 4.44 ? 4.44 : (phi < -4.6 ? -4.6 : phi));
 		}
 		else
-			phi = -3.0; // fugacity coefficient = 0.05
+			phi = -4.6; // fugacity coefficient = 0.01
 		phase_ptr->pr_phi = exp(phi);
 		phase_ptr->pr_si_f = phi / LOG_10;										// pr_si_f updated
 		// ****
diff --git a/src/phreeqcpp/global_structures.h b/src/phreeqcpp/global_structures.h
index c4672cfe..9eba4493 100644
--- a/src/phreeqcpp/global_structures.h
+++ b/src/phreeqcpp/global_structures.h
@@ -14,7 +14,7 @@
 #    define NAN nan("1")
 #  endif
 #endif
-#define MISSING -9999.999
+#define MISSING -9999.999            
 #include "NA.h"   /* NA = not available */
 
 #define F_C_MOL 96493.5			/* C/mol or joule/volt-eq */
@@ -210,6 +210,20 @@ struct Change_Surf
 /*----------------------------------------------------------------------
  *   CReaction
  *---------------------------------------------------------------------- */
+class rxn_token
+{
+public:
+	~rxn_token() {};
+	rxn_token()
+	{
+		s = NULL;
+		coef = 0.0;
+		name = NULL;
+	}
+	class species* s;
+	LDBLE coef;
+	const char* name;
+};
 class CReaction
 {
 public:
@@ -229,20 +243,6 @@ public:
 	double dz[3];
 	std::vector<class rxn_token> token;
 };
-class rxn_token
-{
-public:
-	~rxn_token() {};
-	rxn_token()
-	{
-		s = NULL;
-		coef = 0.0;
-		name = NULL;
-	}
-	class species* s;
-	LDBLE coef;
-	const char* name;
-};
 class save
 {
 public:
@@ -322,6 +322,86 @@ public:
 /*----------------------------------------------------------------------
  *   Inverse
  *---------------------------------------------------------------------- */
+class inv_elts
+{
+public:
+	~inv_elts() {};
+	inv_elts()
+	{
+		name = NULL;
+		master = NULL;
+		row = 0;
+		//uncertainties.clear();
+	}
+	const char* name;
+	class master* master;
+	size_t row;
+	std::vector<double> uncertainties;
+};
+class isotope
+{
+public:
+	~isotope() {};
+	isotope()
+	{
+		isotope_number = 0;
+		elt_name = NULL;
+		isotope_name = NULL;
+		total = 0;
+		ratio = 0;
+		ratio_uncertainty = 0;
+		x_ratio_uncertainty = 0;
+		master = NULL;
+		primary = NULL;
+		coef = 0;					/* coefficient of element in phase */
+	}
+	LDBLE isotope_number;
+	const char* elt_name;
+	const char* isotope_name;
+	LDBLE total;
+	LDBLE ratio;
+	LDBLE ratio_uncertainty;
+	LDBLE x_ratio_uncertainty;
+	class master* master;
+	class master* primary;
+	LDBLE coef;
+};
+class inv_isotope
+{
+public:
+	~inv_isotope() {};
+	inv_isotope()
+	{
+		isotope_name = NULL;
+		isotope_number = 0;
+		elt_name = NULL;
+		//uncertainties.clear();
+	}
+	const char* isotope_name;
+	LDBLE isotope_number;
+	const char* elt_name;
+	std::vector<double> uncertainties;
+};
+class inv_phases
+{
+public:
+	~inv_phases() {};
+	inv_phases()
+	{
+		name = NULL;
+		phase = NULL;
+		column = 0;
+		constraint = EITHER;
+		force = FALSE;
+		//isotopes.clear();
+	}
+	const char* name;
+	class phase* phase;
+	int column;
+	int constraint;
+	int force;
+	std::vector<class isotope> isotopes;
+};
 class inverse
 {
 public:
@@ -386,58 +466,6 @@ public:
 	const char* netpath;
 	const char* pat;
 };
-class inv_elts
-{
-public:
-	~inv_elts() {};
-	inv_elts()
-	{
-		name = NULL;
-		master = NULL;
-		row = 0;
-		//uncertainties.clear();
-	}
-	const char* name;
-	class master* master;
-	size_t row;
-	std::vector<double> uncertainties;
-};
-class inv_isotope
-{
-public:
-	~inv_isotope() {};
-	inv_isotope()
-	{
-		isotope_name = NULL;
-		isotope_number = 0;
-		elt_name = NULL;
-		//uncertainties.clear();
-	}
-	const char* isotope_name;
-	LDBLE isotope_number;
-	const char* elt_name;
-	std::vector<double> uncertainties;
-};
-class inv_phases
-{
-public:
-	~inv_phases() {};
-	inv_phases()
-	{
-		name = NULL;
-		phase = NULL;
-		column = 0;
-		constraint = EITHER;
-		force = FALSE;
-		//isotopes.clear();
-	}
-	const char* name;
-	class phase* phase;
-	int column;
-	int constraint;
-	int force;
-	std::vector<class isotope> isotopes;
-};
 /*----------------------------------------------------------------------
  *   Jacobian and Mass balance lists
  *---------------------------------------------------------------------- */
@@ -538,34 +566,6 @@ public:
 	LDBLE* target;
 	LDBLE coef;
 };
-class isotope
-{
-public:
-	~isotope() {};
-	isotope()
-	{
-		isotope_number = 0;
-		elt_name = NULL;
-		isotope_name = NULL;
-		total = 0;
-		ratio = 0;
-		ratio_uncertainty = 0;
-		x_ratio_uncertainty = 0;
-		master = NULL;
-		primary = NULL;
-		coef = 0;					/* coefficient of element in phase */
-	}
-	LDBLE isotope_number;
-	const char* elt_name;
-	const char* isotope_name;
-	LDBLE total;
-	LDBLE ratio;
-	LDBLE ratio_uncertainty;
-	LDBLE x_ratio_uncertainty;
-	class master* master;
-	class master* primary;
-	LDBLE coef;
-};
 class iso
 {
 public:
@@ -712,17 +712,18 @@ public:
 		secondary = NULL;
 		gfw = 0;              // gram formula wt of species
 		z = 0;                // charge of species
-		// tracer diffusion coefficient in water at 25oC, m2/s
-		dw = 0;
-		// correct Dw for temperature: Dw(TK) = Dw(298.15) * exp(dw_t / TK - dw_t / 298.15)
-		dw_t = 0;
-		// parms for calc'ng SC = SC0 * exp(-dw_a * z * mu^0.5 / (1 + DH_B * dw_a2 * mu^0.5))
+		dw = 0;		// tracer diffusion coefficient in water at 25oC, m2/s
+		dw_t = 0;	// correct Dw for temperature: Dw(TK) = Dw(298.15) * exp(dw_t / TK - dw_t / 298.15)
+		// parms for calc'ng SC = SC0 * exp(-dw_a * z * mu^0.5 / (1 + DH_B * dw_a2 * mu^0.5) / (1 + mu^dw_a3))
+		// with DHO: ka = DH_B * dw_a * (1 + DD(V_apparent)^dw_a2 * sqrt_mu, dw_a3 is a switch, see calc_SC in PBasic
 		dw_a = 0;
 		dw_a2 = 0;
-		dw_a_visc = 0;   // viscosity correction of SC
+		dw_a3 = 0;
+		dw_a_visc = 0;   // exponent in viscosity correction of SC
+		dw_a_v_dif = 0;  // exponent in viscosity correction of D, the diffusion coefficient of the species
 		dw_t_SC = 0;     // contribution to SC, for calc'ng transport number with BASIC
 		dw_t_visc = 0;   // contribution to viscosity
-		dw_corr = 0;	 // dw corrected for TK and mu
+		dw_corr = 0;	 // dw corrected for mu and TK
 		erm_ddl = 0;     // enrichment factor in DDL
 		equiv = 0;       // equivalents in exchange species
 		alk = 0;	     // alkalinity of species, used for cec in exchange
@@ -781,7 +782,9 @@ public:
 	LDBLE dw_t;
 	LDBLE dw_a;
 	LDBLE dw_a2;
+	LDBLE dw_a3;
 	LDBLE dw_a_visc;
+	LDBLE dw_a_v_dif;
 	LDBLE dw_t_SC;
 	LDBLE dw_t_visc;
 	LDBLE dw_corr;
@@ -1104,20 +1107,6 @@ public:
 /*----------------------------------------------------------------------
  *   Reaction work space
  *---------------------------------------------------------------------- */
-class reaction_temp
-{
-public:
-	~reaction_temp() {};
-	reaction_temp()
-	{
-		for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) logk[i] = 0;
-		for (size_t i = 0; i < 3; i++) dz[i] = 0;
-		//token.clear();
-	}
-	LDBLE logk[MAX_LOG_K_INDICES];
-	LDBLE dz[3];
-	std::vector<class rxn_token_temp> token;
-};
 class rxn_token_temp
 {
 public:
@@ -1136,6 +1125,20 @@ public:
 	class unknown* unknown;
 	LDBLE coef;
 };
+class reaction_temp
+{
+public:
+	~reaction_temp() {};
+	reaction_temp()
+	{
+		for (size_t i = 0; i < MAX_LOG_K_INDICES; i++) logk[i] = 0;
+		for (size_t i = 0; i < 3; i++) dz[i] = 0;
+		//token.clear();
+	}
+	LDBLE logk[MAX_LOG_K_INDICES];
+	LDBLE dz[3];
+	std::vector<class rxn_token_temp> token;
+};
 class unknown_list
 {
 public:
@@ -1487,6 +1490,8 @@ public:
 		Dwt = 0;
 		// temperature factor for Dw
 		dw_t = 0;
+		// viscosity factor for Dw
+		dw_a_v_dif = 0;
 		// enrichment factor in ddl
 		erm_ddl = 0;
 	}
@@ -1500,6 +1505,7 @@ public:
 	LDBLE z;
 	LDBLE Dwt;
 	LDBLE dw_t;
+	LDBLE dw_a_v_dif;
 	LDBLE erm_ddl;
 };
 
@@ -1515,7 +1521,9 @@ public:
 		count_exch_spec = 0;
 		// total moles of X-, max X- in transport step in sol_D[1], tk
 		exch_total = 0, x_max = 0, tk_x = 0;
-		// (tk_x * viscos_0_25) / (298 * viscos) 
+		// (tk_x * viscos_0_25) / (298 * viscos_0) 
+		viscos_f0 = 0;
+		// (viscos_0) / (298 * viscos) 
 		viscos_f = 0;
 		spec = NULL;
 		spec_size = 0;
@@ -1523,7 +1531,7 @@ public:
 	int count_spec;
 	int count_exch_spec;
 	LDBLE exch_total, x_max, tk_x;
-	LDBLE viscos_f;
+	LDBLE viscos_f0, viscos_f;
 	class spec* spec;
 	int spec_size;
 };
diff --git a/src/phreeqcpp/integrate.cpp b/src/phreeqcpp/integrate.cpp
index 8f20cd27..200909d2 100644
--- a/src/phreeqcpp/integrate.cpp
+++ b/src/phreeqcpp/integrate.cpp
@@ -733,58 +733,78 @@ calc_all_donnan(void)
 {
 	bool converge;
 	int cd_m;
-	LDBLE new_g, f_psi, surf_chrg_eq, psi_avg, f_sinh, A_surf, ratio_aq, ratio_aq_tot, co_ion;
-	LDBLE new_g2, f_psi2, surf_chrg_eq2, psi_avg2, dif, var1;
+	LDBLE new_g, f_psi, surf_chrg_eq, psi_avg, f_sinh, A_surf, ratio_aq, ratio_surf_aq, co_ion;
+	LDBLE new_g2, f_psi2, surf_chrg_eq2, psi_avg2, dif, var1, viscos;
+	cxxSurface *surf_ptr = use.Get_surface_ptr();
 
-	if (use.Get_surface_ptr() == NULL)
+	if (surf_ptr == NULL)
 		return (OK);
 	f_sinh = sqrt(8000.0 * eps_r * EPSILON_ZERO * (R_KJ_DEG_MOL * 1000.0) *
 		tk_x * mu_x);
-	bool only_count = use.Get_surface_ptr()->Get_only_counter_ions();
-	bool correct_GC = use.Get_surface_ptr()->Get_correct_GC();
+	bool only_count = surf_ptr->Get_only_counter_ions();
+	bool correct_D = surf_ptr->Get_correct_D();
 	/*   calculate g for each surface...
 	 */
-	if (!calculating_deriv || use.Get_surface_ptr()->Get_debye_lengths() ||
-		correct_GC) // DL_pitz && correct_GC
+	if (!calculating_deriv || surf_ptr->Get_debye_lengths() ||
+		correct_D) // DL_pitz && correct_D
 		initial_surface_water();
-	LDBLE nDbl = 1;
-	if (correct_GC)
+	// z1, z2, fr_cat2 are the counter-ions, z_1, z_2, fr_ani2 are for co-ions.
+	LDBLE nDbl = 1, db_lim = 2, f_free, fr_cat2, fr_ani2;
+	LDBLE z1, z2, z_1, z_2;
+	z1 = z2 = z_1 = z_2 = f_free = fr_cat2 = fr_ani2 = 0;
+	/*
+	 *  sum eq of each charge number in solution...
+	 */
+	std::map<LDBLE, LDBLE>::iterator it;
+	for (it = charge_group_map.begin(); it != charge_group_map.end(); it++)
 	{
-		if ((nDbl = use.Get_surface_ptr()->Get_debye_lengths()) == 0)
+		it->second = 0.0;
+	}
+	charge_group_map.clear();
+	for (int i = 0; i < (int)this->s_x.size(); i++)
+	{
+		if (s_x[i]->type > HPLUS)
+			continue;
+		charge_group_map[s_x[i]->z] += s_x[i]->z * s_x[i]->moles * s_x[i]->erm_ddl;
+	}
+	for (it = charge_group_map.begin(); it != charge_group_map.end(); it++)
+	{
+		if      (it->first < -1.5) { z_2 += it->second; continue; }
+		else if (it->first < 0)    { z_1 += it->second; continue; }
+		else if (it->first < 1.5)  { z1  += it->second; continue; }
+		else					   { z2  += it->second; continue; }
+	}
+	if (correct_D)
+	{
+		if ((nDbl = surf_ptr->Get_debye_lengths()) == 0)
 		{
 			LDBLE debye_length = f_sinh / (F_C_MOL * mu_x * 4e3);
-			nDbl = use.Get_surface_ptr()->Get_thickness() / debye_length;
-			//use.Get_surface_ptr()->Set_debye_lengths(nDbl);
+			nDbl = surf_ptr->Get_thickness() / debye_length;
+		}
+		fr_ani2 = z_2 / (z_1 + z_2);
+		fr_cat2 = z2  / (z1 + z2);
+		db_lim = 2 - 0.5 * (fr_cat2 + fr_ani2);
+		if (nDbl > db_lim)
+		{
+			f_free = 1 - db_lim / nDbl;
+			if (f_free < 0) f_free = 0;
 		}
 	}
 
 	converge = TRUE;
+	viscos = 0;
 	for (int j = 0; j < count_unknowns; j++)
 	{
 		if (x[j]->type != SURFACE_CB)
 			continue;
-		cxxSurfaceCharge *charge_ptr = use.Get_surface_ptr()->Find_charge(x[j]->surface_charge);
+		cxxSurfaceCharge *charge_ptr = surf_ptr->Find_charge(x[j]->surface_charge);
 
 		if (debug_diffuse_layer == TRUE)
 			output_msg(sformatf("Calc_all_g, X[%d]\n", j));
-		/*
-		 *  sum eq of each charge number in solution...
-		 */
-		std::map<LDBLE, LDBLE>::iterator it;
-		for (it = charge_group_map.begin(); it != charge_group_map.end(); it++)
-		{
-			it->second = 0.0;
-		}
-		charge_group_map.clear();
-		for (int i = 0; i < (int)this->s_x.size(); i++)
-		{
-			if (s_x[i]->type > HPLUS)
-				continue;
-			charge_group_map[s_x[i]->z] += s_x[i]->z * s_x[i]->moles * s_x[i]->erm_ddl;
-		}
+
 		/* find surface charge from potential... */
 		A_surf = charge_ptr->Get_specific_area() * charge_ptr->Get_grams();
-		if (use.Get_surface_ptr()->Get_type() == cxxSurface::CD_MUSIC)
+		if (surf_ptr->Get_type() == cxxSurface::CD_MUSIC)
 		{
 			f_psi = x[(size_t)j + 2]->master[0]->s->la * LOG_10;	/* -FPsi/RT */
 			f_psi = f_psi / 2;
@@ -797,7 +817,7 @@ calc_all_donnan(void)
 		}
 		surf_chrg_eq = A_surf * f_sinh * sinh(f_psi) / F_C_MOL;
 		LDBLE lim_seq = 5e3;
-		if (correct_GC) lim_seq = 5e1;
+		if (correct_D) lim_seq = 5e3;
 		if (fabs(surf_chrg_eq) > lim_seq)
 		{
 			surf_chrg_eq = (surf_chrg_eq < 0 ? -lim_seq : lim_seq);
@@ -816,23 +836,24 @@ calc_all_donnan(void)
 		std::vector<LDBLE> zcorr(charge_group_map.size());
 		std::vector<LDBLE> zcorr2(charge_group_map.size());
 		//LDBLE fD = 0;
-		psi_avg = calc_psi_avg(charge_ptr, surf_chrg_eq, nDbl, zcorr);
-		psi_avg2 = calc_psi_avg(charge_ptr, surf_chrg_eq2, nDbl, zcorr2);
+		psi_avg = calc_psi_avg(charge_ptr, surf_chrg_eq, nDbl, f_free, zcorr);
+		psi_avg2 = calc_psi_avg(charge_ptr, surf_chrg_eq2, nDbl, f_free, zcorr2);
 
 		/*output_msg(sformatf( "psi's  %e %e %e\n", f_psi, psi_avg, surf_chrg_eq)); */
 
 		/* fill in g's */
 		ratio_aq = charge_ptr->Get_mass_water() / mass_water_aq_x;
-		ratio_aq_tot = charge_ptr->Get_mass_water() / mass_water_bulk_x;
-
+		ratio_surf_aq = charge_ptr->Get_mass_water() / mass_water_surfaces_x;
+		//ratio_surf_aq = charge_ptr->Get_mass_water() / mass_water_bulk_x;
+		if (correct_D)
+			ratio_aq *= (1 - f_free);
 		int z_iter = 0;
 		for (it = charge_group_map.begin(); it != charge_group_map.end(); it++)
 		{
 			LDBLE z = it->first, z1 = z;
 			co_ion = surf_chrg_eq * z;
-			if (correct_GC)
+			if (correct_D)
 				z1 = zcorr[z_iter];
-			//z1 *= cgc[0] * pow(z_factor, abs(z));
 
 			if (!ratio_aq)
 			{
@@ -878,18 +899,18 @@ calc_all_donnan(void)
 			/* save Boltzmann factor * water fraction for MCD calc's in transport */
 			if (converge)
 			{
-				if (only_count)
-				{
-					if (co_ion > 0) // co-ions are not in the DL
+				if (only_count && co_ion > 0) // co-ions are not in the DL
 						charge_ptr->Get_z_gMCD_map()[z] = 0;
-					else // assume that counter-ions have the free water conc for diffusion
-						charge_ptr->Get_z_gMCD_map()[z] = ratio_aq_tot;
-				}
 				else
-					charge_ptr->Get_z_gMCD_map()[z] = (new_g / ratio_aq + 1) * ratio_aq_tot;
+				{
+					charge_ptr->Get_z_gMCD_map()[z] = (exp(cd_m * z1 * psi_avg) * (1 - f_free) + f_free) *
+						ratio_surf_aq;// * s_x[]->moles == mol_DL in charge_ptr
+				}
 			}
 			z_iter++;
 		}
+
+		charge_ptr->Set_f_free(f_free);
 		if (debug_diffuse_layer == TRUE)
 		{
 			std::string name = x[j]->master[0]->elt->name;
@@ -920,8 +941,9 @@ calc_init_donnan(void)
 /* ---------------------------------------------------------------------- */
 {
 	LDBLE f_psi, surf_chrg_eq, psi_avg, f_sinh, A_surf, ratio_aq;
+	cxxSurface *surf_ptr = use.Get_surface_ptr();
 
-	if (use.Get_surface_ptr() == NULL)
+	if (surf_ptr == NULL)
 		return (OK);
 	f_sinh =
 		//sqrt(8000.0 * EPSILON * EPSILON_ZERO * (R_KJ_DEG_MOL * 1000.0) *
@@ -963,12 +985,12 @@ calc_init_donnan(void)
 	{
 		if (x[j]->type != SURFACE_CB)
 			continue;
-		cxxSurfaceCharge *charge_ptr = use.Get_surface_ptr()->Find_charge(x[j]->surface_charge);
+		cxxSurfaceCharge *charge_ptr = surf_ptr->Find_charge(x[j]->surface_charge);
 		charge_ptr->Get_g_map().clear();
 
 		/* find surface charge from potential... */
 		A_surf = charge_ptr->Get_specific_area() * charge_ptr->Get_grams();
-		if (use.Get_surface_ptr()->Get_type() == cxxSurface::CD_MUSIC)
+		if (surf_ptr->Get_type() == cxxSurface::CD_MUSIC)
 		{
 			f_psi = x[(size_t)j + 2]->master[0]->s->la * LOG_10;	/* -FPsi/RT */
 			f_psi = f_psi / 2;
@@ -978,7 +1000,7 @@ calc_init_donnan(void)
 		surf_chrg_eq = A_surf * f_sinh * sinh(f_psi) / F_C_MOL;
 
 		/* find psi_avg that matches surface charge... */
-		psi_avg = calc_psi_avg(charge_ptr, 0 * surf_chrg_eq, 0, zcorr);
+		psi_avg = calc_psi_avg(charge_ptr, 0 * surf_chrg_eq, 0, 0, zcorr);
 
 		/* fill in g's */
 		ratio_aq = charge_ptr->Get_mass_water() / mass_water_aq_x;
@@ -991,7 +1013,7 @@ calc_init_donnan(void)
 
 			charge_ptr->Get_g_map()[z].Set_g(ratio_aq * (exp(-z * psi_avg) - 1));
 
-			if (use.Get_surface_ptr()->Get_only_counter_ions()
+			if (surf_ptr->Get_only_counter_ions()
 				&& ((surf_chrg_eq < 0 && z < 0)
 					|| (surf_chrg_eq > 0 && z > 0)))
 				charge_ptr->Get_g_map()[z].Set_g(-ratio_aq);
@@ -1038,45 +1060,84 @@ calc_init_donnan(void)
 }
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-calc_psi_avg(cxxSurfaceCharge *charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, std::vector<LDBLE> &zcorr)
+calc_psi_avg(cxxSurfaceCharge *charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, LDBLE f_free, std::vector<LDBLE> &zcorr)
 /* ---------------------------------------------------------------------- */
 {
 	/*
 	 * calculate the average (F * Psi / RT) that lets the DL charge counter the surface charge
 	 */
-	LDBLE fd, fd1, p, /*psi_DL, */p_psi = R_KJ_DEG_MOL * tk_x / F_KJ_V_EQ, temp, ratio_aq, z, z1, z1_c, eq, co_ion, sum_counter, sum_co;
-
+	LDBLE fd, fd1, p, /*psi_DL, */p_psi = R_KJ_DEG_MOL * tk_x / F_KJ_V_EQ, temp, ratio_aq, z, Z1, Z1_c, eq, co_ion, sum_counter, sum_co;
+	LDBLE z1, z2, z_1, z_2;
 	ratio_aq = charge_ptr->Get_mass_water() / mass_water_aq_x;
 	p = 0;
 	if (surf_chrg_eq == 0 || ratio_aq == 0)
 		return (0.0);
 	else if (surf_chrg_eq < 0)
-		p = -0.5 * log(-surf_chrg_eq * ratio_aq / mu_x + 1);
+		p = -0.5 * log(-surf_chrg_eq * ratio_aq * (1 - f_free) / mu_x + 1);
 	else if (surf_chrg_eq > 0)
-		p = 0.5 * log(surf_chrg_eq * ratio_aq / mu_x + 1);
+		p = 0.5 * log(surf_chrg_eq * ratio_aq * (1 - f_free) / mu_x + 1);
 	/*
 	 * Optimize p in SS{s_x[i]->moles * z_i * g(p)} = -surf_chrg_eq
-	 *  g(p) = exp(-p * z_i) * ratio_aq
+	 *  g(p) = exp(-p * z_i) * ratio_aq * (1 - f_free)
 	 * Elsewhere in PHREEQC, g is the excess, after subtraction of conc's for p = 0:
 	 *		      g(p) = (exp(-p *z_i) - 1) * ratio_aq
-	 * with correct_GC true:
-	 * correct ions to better match the integrated concentrations:
-		 z == 1? z *= 0.285 cgc[6]
-		 z == 2? z *= 0.372 cgc[7]
-		 z == -1? z *= cgc[0] * (mu_x**(         cgc[1] * nDbl**cgc[2] * (abs(surf_chrg_eq / A_surf / 1e-6)**cgc[3] * I ** cgc[4])
-		 z == -2? z *= cgc[0] * (mu_x**(cgc[5] * cgc[1] * nDbl**cgc[2] * (abs(surf_chrg_eq / A_surf / 1e-6)**cgc[3] * I ** cgc[4])
+	 * with correct_D true and f_free > 0:
+	     c_edl = c_free * (f_free + (1 - f_free) * exp(-p * z_i))
+	 * with correct_D true and f_free == 0:
+	 * correct ions to better match the integrated PB concentrations:
+		 Gamma = abs(surf_chrg_eq / A_surf / 1e-6)
+		 a = cgc[1] * nDbl**cgc[2]
+		 b = Gamma**cgc[3] / abs(log10(I))
+		 counter_ions...
+		 z == 1? z1 = cgc[0] * I**(a * b)
+		 z == 2? z2 = 2 * cgc[4] * I**(cgc[5] * a * b)
+		 co_ions...
+		 c = cgc[7] * nDbl**cgc[8] * Gamma**cgc[9]
+		 z == -1? z_1 = -cgc[6] * I**(c)
+		 z == -2? z_2 = -2 * cgc[10] * I**(c * cgc[11])
+		 c_edl = c_free * exp(-p * z_i)
 	 */
 
-	cxxSurface *surf_p = use.Get_surface_ptr();
-	bool correct_GC = surf_p->Get_correct_GC(),  local_correct_GC = correct_GC;
-	bool only_count = surf_p->Get_only_counter_ions();
-	LDBLE Gamma = fabs(surf_chrg_eq) / (charge_ptr->Get_specific_area() * charge_ptr->Get_grams()) / 1e-6,
-		cgc[10] = { 0.36, 0.1721, 0.798, 0.287, 0.1457, 1.2, 0.285, 0.372 };
-
-	if (!surf_p->Donnan_factors.empty())
-		std::copy(surf_p->Donnan_factors.begin(), surf_p->Donnan_factors.end(), cgc);
-
-	cgc[1] *= pow(nDbl, cgc[2]) * pow(Gamma, cgc[3]) * pow(mu_x, cgc[4]);
+	cxxSurface *surf_ptr = use.Get_surface_ptr();
+	bool correct_D = surf_ptr->Get_correct_D(),  local_correct_D = correct_D;
+	bool only_count = surf_ptr->Get_only_counter_ions();
+	LDBLE Gamma, cgc[12] = { 0.3805, -0.0106, 1.96, 0.812,
+							0.395, 2.13,
+							0.380, 0.0408, 0.799, 0.594,
+							0.373, 1.181 };
+	if (correct_D)
+	{
+		if (f_free)
+		{
+			z1 = z2 = z_1 = z_2 = 1;
+		}
+		else
+		{
+			if (!surf_ptr->Donnan_factors.empty())
+			{
+				std::copy(surf_ptr->Donnan_factors.begin(), surf_ptr->Donnan_factors.end(), cgc);
+				z1 = cgc[0];
+				z2 = cgc[1];
+				z_1 = cgc[2];
+				z_2 = cgc[3];
+			}
+			else
+			{
+				Gamma = fabs(surf_chrg_eq) / (charge_ptr->Get_specific_area() * charge_ptr->Get_grams()) / 1e-6;
+				LDBLE a = cgc[1] * pow(nDbl, cgc[2]),
+					b = pow(Gamma, cgc[3]) / abs(log10(mu_x));
+				// counter_ions...
+				z1 = cgc[0] * pow(mu_x, (a * b));
+				z2 = cgc[4] * pow(mu_x, (cgc[5] * a * b));
+				if (z1 > 1) z1 = 1;
+				if (z2 > 1) z2 = 1;
+				// co_ions...
+				LDBLE c = cgc[7] * pow(nDbl, cgc[8]) * pow(Gamma, cgc[9]);
+				z_1 = cgc[6] * pow(mu_x, c);
+				z_2 = cgc[10] * pow(mu_x, (c * cgc[11]));
+			}
+		}
+	}
 
 	int l_iter = 0, z_iter;
 	sum_co = sum_counter = 0;
@@ -1085,16 +1146,16 @@ calc_psi_avg(cxxSurfaceCharge *charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, std::
 		fd = surf_chrg_eq;
 		fd1 = 0.0;
 		z_iter = 0;
-		if (l_iter == 1 && local_correct_GC && fabs(sum_counter) < fabs(sum_co))
+		if (l_iter == 1 && local_correct_D && fabs(sum_counter) < fabs(sum_co))
 		{
-			local_correct_GC = false;
+			local_correct_D = false;
 			l_iter = 0;
 		}
 		std::map<LDBLE, LDBLE>::iterator it;
 		for (it = charge_group_map.begin(); it != charge_group_map.end(); it++)
 		{
 			z = it->first;
-			z1 = z;
+			Z1 = z;
 			if (l_iter == 0) zcorr[z_iter] = z;
 			co_ion = surf_chrg_eq * z;
 			if (!z || (only_count && co_ion > 0))
@@ -1102,30 +1163,30 @@ calc_psi_avg(cxxSurfaceCharge *charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, std::
 				z_iter++;
 				continue;
 			}
-			if (nDbl && local_correct_GC)
+			if (nDbl && local_correct_D)
 			{
 				/*psi_DL = fabs(p * p_psi);*/
 				if (co_ion < 0)
 				{//counter-ion
-					if (fabs(z) > 1) temp = cgc[7];
-					else             temp = cgc[6];
+					if (fabs(z) > 1.5) temp = z2;
+					else               temp = z1;
 					sum_counter += z * temp;
 				}
 				else
 				{// co-ion
-					if (fabs(z) > 1) temp = cgc[0] * pow(mu_x, cgc[1] * cgc[5]);
-					else             temp = cgc[0] * pow(mu_x, cgc[1]);
+					if (fabs(z) > 1.5) temp = z_2;
+					else               temp = z_1;
 					sum_co += z * temp;
 				}
 				zcorr[z_iter] = z * temp;
 			}
-			z1 = zcorr[z_iter];
+			Z1 = zcorr[z_iter];
 			eq = it->second;
-			temp = exp(-z1 * p) * ratio_aq;
+			temp = exp(-Z1 * p) * ratio_aq * (1 - f_free);
 
 			fd += eq * temp;
-			fd1 -= z1 * eq * temp;
-			if (z == 1) z1_c = z1;
+			fd1 -= Z1 * eq * temp;
+			if (z == 1) Z1_c = Z1;
 			z_iter++;
 		}
 		fd /= -fd1;
@@ -1152,7 +1213,7 @@ calc_psi_avg(cxxSurfaceCharge *charge_ptr, LDBLE surf_chrg_eq, LDBLE nDbl, std::
 	if (debug_diffuse_layer == TRUE)
 		output_msg(sformatf(
 			"iter in calc_psi_avg = %d. g(+1) = %8f, surface charge = %12.4e, psi_DL = %12.3e V.\n",
-			l_iter, (double)(exp(-p) - 1), (double)surf_chrg_eq, (double)(p * z1_c * p_psi)));
+			l_iter, (double)(exp(-p) - 1), (double)surf_chrg_eq, (double)(p * Z1_c * p_psi)));
 
 	return (p);
 }
diff --git a/src/phreeqcpp/kinetics.cpp b/src/phreeqcpp/kinetics.cpp
index 0472265c..d1158e2f 100644
--- a/src/phreeqcpp/kinetics.cpp
+++ b/src/phreeqcpp/kinetics.cpp
@@ -1579,7 +1579,10 @@ set_and_run(int i, int use_mix, int use_kinetics, int nsaver,
 		converge = model();
 	}
 	sum_species();
-	viscosity();
+	viscos = viscosity(NULL);
+	use.Get_solution_ptr()->Set_viscosity(viscos);
+	if (use.Get_surface_ptr() != NULL && dl_type_x != cxxSurface::NO_DL)
+		use.Get_surface_ptr()->Set_DDL_viscosity(viscosity(use.Get_surface_ptr()));
 	return (converge);
 }
 
diff --git a/src/phreeqcpp/mainsubs.cpp b/src/phreeqcpp/mainsubs.cpp
index fccfdf23..eff1f2bc 100644
--- a/src/phreeqcpp/mainsubs.cpp
+++ b/src/phreeqcpp/mainsubs.cpp
@@ -342,106 +342,6 @@ set_use(void)
 	return (OK);
 }
 
-int Phreeqc::initial_solutions_poet(int sol_id)
-/* ---------------------------------------------------------------------- */
-{
-  /*
-   *   Go through list of solutions, make initial solution calculations
-   *   for any marked "new".
-   */
-  int converge, converge1;
-  int last, n_user, print1;
-  char token[2 * MAX_LENGTH];
-
-  //   state = INITIAL_SOLUTION;
-  set_use();
-  print1 = TRUE;
-  dl_type_x = cxxSurface::NO_DL;
-  // std::map<int, cxxSolution>::iterator it = Rxn_solution_map.begin();
-  // for ( ; it != Rxn_solution_map.end(); it++)
-  //{
-  // for (size_t nn = 0; nn < Rxn_new_solution.size(); nn++)
-  cxxSolution &solution_ref = Rxn_solution_map.find(sol_id)->second;
-  initial_solution_isotopes = FALSE;
-  //   if (solution_ref.Get_new_def()) {
-  use.Set_solution_ptr(&solution_ref);
-  LDBLE d0 = solution_ref.Get_density();
-  // LDBLE d1 = 0;
-  bool diag = (diagonal_scale == TRUE) ? true : false;
-  int count_iterations = 0;
-  //   std::string input_units = solution_ref.Get_initial_data()->Get_units();
-  //   cxxISolution *initial_data_ptr = solution_ref.Get_initial_data();
-  density_iterations = 0;
-  // for (;;) {
-  prep();
-  k_temp(solution_ref.Get_tc(), solution_ref.Get_patm());
-  set(TRUE);
-  always_full_pitzer = FALSE;
-
-  diagonal_scale = TRUE;
-  converge = model();
-  if (converge == ERROR /*&& diagonal_scale == FALSE*/) {
-    diagonal_scale = TRUE;
-    always_full_pitzer = TRUE;
-    set(TRUE);
-    converge = model();
-  }
-  //   density_iterations++;
-  //   if (solution_ref.Get_initial_data()->Get_calc_density()) {
-  //     solution_ref.Set_density(calc_dens());
-  //     if (!equal(d0, solution_ref.Get_density(), 1e-8)) {
-  //       initial_data_ptr->Set_units(input_units);
-  //       d0 = solution_ref.Get_density();
-  //       if (count_iterations++ < 20) {
-  //         diag = (diagonal_scale == TRUE) ? true : false;
-  //         continue;
-  //       } else {
-  //         error_msg(
-  //             sformatf("%s %d.",
-  //                      "Density calculation failed for initial solution ",
-  //                      solution_ref.Get_n_user()),
-  //             STOP);
-  //       }
-  //     }
-  //   }
-  //   break;
-  // }
-  diagonal_scale = (diag) ? TRUE : FALSE;
-  converge1 = check_residuals();
-  sum_species();
-  viscosity();
-  add_isotopes(solution_ref);
-  punch_all();
-  //   print_all();
-  density_iterations = 0;
-  /* free_model_allocs(); */
-  // remove pr_in
-  for (size_t i = 0; i < count_unknowns; i++) {
-    if (x[i]->type == SOLUTION_PHASE_BOUNDARY)
-      x[i]->phase->pr_in = false;
-  }
-
-  if (converge == ERROR || converge1 == ERROR) {
-    error_msg(sformatf("%s %d.",
-                       "Model failed to converge for initial solution ",
-                       solution_ref.Get_n_user()),
-              STOP);
-  }
-  n_user = solution_ref.Get_n_user();
-  last = solution_ref.Get_n_user_end();
-  /* copy isotope data */
-  if (solution_ref.Get_isotopes().size() > 0) {
-    isotopes_x = solution_ref.Get_isotopes();
-  } else {
-    isotopes_x.clear();
-  }
-  xsolution_save(n_user);
-  Utilities::Rxn_copies(Rxn_solution_map, n_user, last);
-  //   }
-  initial_solution_isotopes = FALSE;
-  return (OK);
-}
-
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
 initial_solutions(int print)
@@ -510,6 +410,8 @@ initial_solutions(int print)
 					set(TRUE);
 					converge = model();
 				}
+				calc_dens();
+				kgw_kgs = mass_water_aq_x / solution_mass_x;
 				density_iterations++;
 				if (solution_ref.Get_initial_data()->Get_calc_density())
 				{
@@ -535,7 +437,10 @@ initial_solutions(int print)
 			diagonal_scale = (diag) ? TRUE : FALSE;
 			converge1 = check_residuals();
 			sum_species();
-			viscosity();
+			viscos = viscosity(NULL);
+			use.Get_solution_ptr()->Set_viscosity(viscos);
+			if (use.Get_surface_ptr() != NULL && dl_type_x != cxxSurface::NO_DL)
+				use.Get_surface_ptr()->Set_DDL_viscosity(viscosity(use.Get_surface_ptr()));
 			add_isotopes(solution_ref);
 			punch_all();
 			print_all();
@@ -638,7 +543,6 @@ initial_exchangers(int print)
 			converge = model();
 			converge1 = check_residuals();
 			sum_species();
-			viscosity();
 			species_list_sort();
 			print_exchange();
 			if (pr.user_print)
@@ -1361,12 +1265,12 @@ xsolution_save(int n_user)
 	temp_solution.Set_pe(solution_pe_x);
 	temp_solution.Set_mu(mu_x);
 	temp_solution.Set_ah2o(ah2o_x);
-	//temp_solution.Set_density(density_x);
-	temp_solution.Set_density(calc_dens());
-	temp_solution.Set_viscosity(this->viscos);
+	// the subroutine is called at the start of a new simulation, and the following 2 go wrong since s_x is not updated 
+	temp_solution.Set_density(density_x);
+	temp_solution.Set_viscosity(viscos);
 	temp_solution.Set_total_h(total_h_x);
 	temp_solution.Set_total_o(total_o_x);
-	temp_solution.Set_cb(cb_x);	/* cb_x does not include surface charge sfter sum_species */
+	temp_solution.Set_cb(cb_x);	/* cb_x does not include surface charge after sum_species */
 								/* does include surface charge after step */
 	temp_solution.Set_mass_water(mass_water_aq_x);
 	temp_solution.Set_total_alkalinity(total_alkalinity);
diff --git a/src/phreeqcpp/model.cpp b/src/phreeqcpp/model.cpp
index 103bcf4a..d730657c 100644
--- a/src/phreeqcpp/model.cpp
+++ b/src/phreeqcpp/model.cpp
@@ -4891,7 +4891,6 @@ sum_species(void)
 	solution_pe_x = -s_eminus->la;
 	ah2o_x = exp(s_h2o->la * LOG_10);
 
-	density_x = 1.0;
 	if (s_o2 != NULL)
 		s_o2->moles = under(s_o2->lm) * mass_water_aq_x;
 	if (s_h2 != NULL)
diff --git a/src/phreeqcpp/prep.cpp b/src/phreeqcpp/prep.cpp
index fade6839..3948dbd6 100644
--- a/src/phreeqcpp/prep.cpp
+++ b/src/phreeqcpp/prep.cpp
@@ -1937,6 +1937,10 @@ convert_units(cxxSolution *solution_ptr)
 		strstr(initial_data_ptr->Get_units().c_str(), "/l") != NULL)
 	{
 		mass_water_aq_x = 1.0 - 1e-3 * sum_solutes;
+		if (density_iterations > 0)
+		{
+			mass_water_aq_x = kgw_kgs;
+		}
 		if (mass_water_aq_x <= 0)
 		{
 			error_string = sformatf( "Solute mass exceeds solution mass in conversion from /kgs to /kgw.\n"
@@ -3991,17 +3995,16 @@ calc_PR(std::vector<class phase *> phase_ptrs, LDBLE P, LDBLE TK, LDBLE V_m)
 		{
 			phi = B_r * (rz - 1) - log(rz - B) + A / (2.828427 * B) * (B_r - 2.0 * phase_ptr->pr_aa_sum2 / a_aa_sum) *
 				log((rz + 2.41421356 * B) / (rz - 0.41421356 * B));
-			//phi = (phi > 4.44 ? 4.44 : (phi < -3 ? -3 : phi));
 			phi = (phi > 4.44 ? 4.44 : (phi < -4.6 ? -4.6 : phi));
 			//if (phi > 4.44)
 			//	phi = 4.44;
 		}
 		else
-			phi = -3.0; // fugacity coefficient = 0.05
-		//if (/*!strcmp(phase_ptr->name, "H2O(g)") && */phi < -3)
+			phi = -4.6; // fugacity coefficient = 0.01
+		//if (!strcmp(phase_ptr->name, "H2O(g)") && phi < -4.6)
 		//{
 		////	 avoid such phi...
-		//	phi = -3;
+		//	phi = -4.6;
 		//}
 		phase_ptr->pr_phi = exp(phi);
 		phase_ptr->pr_si_f = phi / LOG_10;
@@ -5399,6 +5402,53 @@ calc_vm(LDBLE tc, LDBLE pa)
 	return OK;
 }
 
+LDBLE Phreeqc::calc_vm0(const char * species_name, LDBLE tc, LDBLE pa, LDBLE mu)
+{
+	/*
+	 *  Calculate molar volume of an aqueous species at tc, pa and mu
+	 */
+	if (llnl_temp.size() > 0) return OK;
+	class species *s_ptr;
+	LDBLE g = 0;
+	s_ptr = s_search(species_name);
+	if (s_ptr == s_h2o)
+		return 18.016 / rho_0;
+	if (s_ptr != NULL && s_ptr->in != FALSE && s_ptr->type < EMINUS && s_ptr->logk[vma1])
+	{
+		LDBLE pb_s = 2600. + pa * 1.01325, TK_s = tc + 45.15, sqrt_mu = sqrt(mu);
+		/* supcrt volume at I = 0... */
+		g = s_ptr->logk[vma1] + s_ptr->logk[vma2] / pb_s +
+			(s_ptr->logk[vma3] + s_ptr->logk[vma4] / pb_s) / TK_s -
+			s_ptr->logk[wref] * QBrn;
+		if (s_ptr->z)
+		{
+			/* the ionic strength term * I^0.5... */
+			if (s_ptr->logk[b_Av] < 1e-5)
+				g += s_ptr->z * s_ptr->z * 0.5 * DH_Av * sqrt_mu;
+			else
+			{
+				/* limit the Debye-Hueckel slope by b... */
+				/* pitzer... */
+				//s_ptr->rxn_x.logk[vm_tc] += s_ptr->z * s_ptr->z * 0.5 * DH_Av *
+				//	log(1 + s_ptr->logk[b_Av] * sqrt(mu_x)) / s_ptr->logk[b_Av];
+				/* extended DH... */
+				g += s_ptr->z * s_ptr->z * 0.5 * DH_Av *
+					sqrt_mu / (1 + s_ptr->logk[b_Av] * DH_B * sqrt_mu);
+			}
+			/* plus the volume terms * I... */
+			if (s_ptr->logk[vmi1] != 0.0 || s_ptr->logk[vmi2] != 0.0 || s_ptr->logk[vmi3] != 0.0)
+			{
+				LDBLE bi = s_ptr->logk[vmi1] + s_ptr->logk[vmi2] / TK_s + s_ptr->logk[vmi3] * TK_s;
+				if (s_ptr->logk[vmi4] == 1.0)
+					g += bi * mu;
+				else
+					g += bi * pow(mu, s_ptr->logk[vmi4]);
+			}
+		}
+	}
+	return g;
+}
+
 /* ---------------------------------------------------------------------- */
 int Phreeqc::
 k_temp(LDBLE tc, LDBLE pa) /* pa - pressure in atm */
@@ -5414,7 +5464,7 @@ k_temp(LDBLE tc, LDBLE pa) /* pa - pressure in atm */
 	if (pa != current_pa) goto proceed;
 	if (fabs(mu_x - current_mu) > 1e-3 * mu_x) goto proceed;
 	if (mu_terms_in_logk) goto proceed;
-	return OK;
+		return OK;
 
 proceed:
 
diff --git a/src/phreeqcpp/print.cpp b/src/phreeqcpp/print.cpp
index e372db9b..4aa70fb6 100644
--- a/src/phreeqcpp/print.cpp
+++ b/src/phreeqcpp/print.cpp
@@ -1,3 +1,4 @@
+//Note to encode in ANSI with NP++
 #include "Utils.h"
 #include "Phreeqc.h"
 #include "phqalloc.h"
@@ -14,6 +15,16 @@
 #include "Solution.h"
 #include "Surface.h"
 
+#if defined(_MSC_VER) && (_MSC_VER <= 1400) // VS2005
+#  define nullptr NULL
+#endif
+
+#if __cplusplus < 201103L // Check if C++ standard is pre-C++11
+#  ifndef nullptr
+#    define nullptr NULL
+#  endif
+#endif
+
 #if defined(PHREEQCI_GUI)
 #ifdef _DEBUG
 #define new DEBUG_NEW
@@ -270,6 +281,25 @@ print_diffuse_layer(cxxSurfaceCharge *charge_ptr)
 	output_msg(sformatf(
 			   "\tWater in diffuse layer: %8.3e kg, %4.1f%% of total DDL-water.\n",
 			   (double) charge_ptr->Get_mass_water(), (double) d));
+	if (print_viscosity && d > 0)
+	{
+		cxxSurface * surf_ptr = use.Get_surface_ptr();
+		if (surf_ptr->Get_calc_viscosity())
+		{
+			viscosity(surf_ptr);
+			viscosity(nullptr);
+			if (d == 100)
+				output_msg(sformatf(
+					"\t\t      calculated viscosity: %7.5f mPa s.\n", (double)charge_ptr->Get_DDL_viscosity()));
+			else
+				output_msg(sformatf(
+					"\t\t      calculated viscosity: %7.5f mPa s for this DDL water. (%7.5f mPa s for total DDL-water.)\n", (double)charge_ptr->Get_DDL_viscosity(), (double)use.Get_surface_ptr()->Get_DDL_viscosity()));
+		}
+		else
+			output_msg(sformatf(
+				"\t\t      viscosity: %7.5f mPa s for DDL water.\n", (double)charge_ptr->Get_DDL_viscosity() * viscos));
+	}
+
 	if (use.Get_surface_ptr()->Get_debye_lengths() > 0 && d > 0)
 	{
 		sum_surfs = 0.0;
@@ -279,8 +309,7 @@ print_diffuse_layer(cxxSurfaceCharge *charge_ptr)
 				continue;
 			cxxSurfaceCharge * charge_ptr_search = use.Get_surface_ptr()->Find_charge(x[j]->surface_charge);
 			sum_surfs +=
-				charge_ptr_search->Get_specific_area() *
-				charge_ptr_search->Get_grams();
+				charge_ptr_search->Get_specific_area() * charge_ptr_search->Get_grams();
 		}
 		r = 0.002 * mass_water_bulk_x / sum_surfs;
 		output_msg(sformatf(
@@ -304,10 +333,8 @@ print_diffuse_layer(cxxSurfaceCharge *charge_ptr)
 			if (s_x[j]->type > HPLUS)
 				continue;
 			molality = under(s_x[j]->lm);
-			moles_excess = mass_water_aq_x * molality * (charge_ptr->Get_g_map()[s_x[j]->z].Get_g() *
-				s_x[j]->erm_ddl +
-				mass_water_surface /
-				mass_water_aq_x * (s_x[j]->erm_ddl - 1));
+			moles_excess = mass_water_aq_x * molality * (charge_ptr->Get_g_map()[s_x[j]->z].Get_g() * s_x[j]->erm_ddl +
+				mass_water_surface / mass_water_aq_x * (s_x[j]->erm_ddl - 1));
 			moles_surface = mass_water_surface * molality + moles_excess;
 			if (debug_diffuse_layer == TRUE)
 			{
@@ -336,17 +363,26 @@ print_diffuse_layer(cxxSurfaceCharge *charge_ptr)
 		}
 		else
 		{
-			LDBLE exp_g = charge_ptr->Get_g_map()[1].Get_g() * mass_water_aq_x / mass_water_surface + 1;
+			LDBLE exp_g = charge_ptr->Get_g_map()[1].Get_g() * mass_water_aq_x / ((1 - charge_ptr->Get_f_free()) * mass_water_surface) + 1;
 			LDBLE psi_DL = -log(exp_g) * R_KJ_DEG_MOL * tk_x / F_KJ_V_EQ;
-			if (use.Get_surface_ptr()->Get_correct_GC())
+			if (use.Get_surface_ptr()->Get_correct_D())
+			{
 				output_msg(sformatf(
 					"\n\tTotal moles in diffuse layer (excluding water), Donnan corrected to match Poisson-Boltzmann."));
+				output_msg(sformatf(
+					"\n\tDonnan Layer potential, psi_DL = %10.3e V, for (1 - f_free) of DL water = %10.3e kg (f_free = %5.3f).\n\tBoltzmann factor, exp(-psi_DL * z * z_corr * F / RT) = %9.3e (= c_DL / c_free if z is +1)",
+					psi_DL, (1 - charge_ptr->Get_f_free()) * mass_water_surface, charge_ptr->Get_f_free(), exp_g));
+				output_msg(sformatf(
+					"\n\t\tThus: Moles of Na+ = (c_DL * (1 - f_free) + f_free) * c_free * kg DDL-water\n\n"));
+			}
 			else
+			{
 				output_msg(sformatf(
 					"\n\tTotal moles in diffuse layer (excluding water), Donnan calculation."));
-			output_msg(sformatf(
-				"\n\tDonnan Layer potential, psi_DL = %10.3e V.\n\tBoltzmann factor, exp(-psi_DL * F / RT) = %9.3e (= c_DL / c_free if z is +1).\n\n",
-				psi_DL, exp_g));
+				output_msg(sformatf(
+					"\n\tDonnan Layer potential, psi_DL = %10.3e V.\n\tBoltzmann factor, exp(-psi_DL * F / RT) = %9.3e (= c_DL / c_free if z is +1).\n\n",
+					psi_DL, exp_g));
+			}
 		}
 		output_msg(sformatf("\tElement       \t     Moles\n"));
 		for (j = 0; j < count_elts; j++)
@@ -2240,8 +2276,8 @@ print_totals(void)
 //#ifdef NPP
 	if (print_viscosity)
 	{
-		output_msg(sformatf("%45s%9.5f", "Viscosity (mPa s)  = ",
-			   (double) viscos));
+		viscosity(nullptr);
+		output_msg(sformatf("%45s%9.5f", "Viscosity (mPa s)  = ", (double) viscos));
 		if (tc_x > 200 && !pure_water) 
 		{
 #ifdef NO_UTF8_ENCODING
diff --git a/src/phreeqcpp/read.cpp b/src/phreeqcpp/read.cpp
index 2ac1bea7..9a60114c 100644
--- a/src/phreeqcpp/read.cpp
+++ b/src/phreeqcpp/read.cpp
@@ -135,6 +135,18 @@ read_input(void)
 		case Keywords::KEY_MIX:
 			read_mix();
 			break;
+		case Keywords::KEY_RATE_PARAMETERS_PK:
+			read_rate_parameters_pk();
+			break;
+		case Keywords::KEY_RATE_PARAMETERS_SVD:
+			read_rate_parameters_svd();
+			break;
+		case Keywords::KEY_RATE_PARAMETERS_HERMANSKA:
+			read_rate_parameters_hermanska();
+			break;
+		case Keywords::KEY_MEAN_GAMMAS:
+			read_mean_gammas();
+			break;
 		case Keywords::KEY_SOLUTION_MIX:
 			//read_solution_mix();
 			read_entity_mix(Rxn_solution_mix_map);
@@ -2357,6 +2369,317 @@ read_kinetics(void)
 	return (return_value);
 }
 /* ---------------------------------------------------------------------- */
+int Phreeqc::
+read_rate_parameters_pk(void)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *      Reads kinetics data
+	 *
+	 *      Arguments:
+	 *	 none
+	 *
+	 *      Returns:
+	 *	 KEYWORD if keyword encountered, input_error may be incremented if
+	 *		    a keyword is encountered in an unexpected position
+	 *	 EOF     if eof encountered while reading mass balance concentrations
+	 *	 ERROR   if error occurred reading data
+	 *
+	 */
+	std::string token;
+	int return_value, opt;
+	const char* next_char;
+	const char* opt_list[] = {
+		"xxxx",					/* 0 */
+	};
+	int count_opt_list = 0;
+	/*
+	 *   Read rate parameters
+	 */
+	return_value = UNKNOWN;
+	for (;;)
+	{
+		opt = get_option(opt_list, count_opt_list, &next_char);
+		switch (opt)
+		{
+		case OPTION_EOF:		/* end of file */
+			return_value = EOF;
+			break;
+		case OPTION_KEYWORD:	/* keyword */
+			return_value = KEYWORD;
+			break;
+		case OPTION_DEFAULT:	/* add to rate_parameters_pk map */
+		{
+			std::string min_name;
+			int j = copy_token(token, &next_char);
+			if (j != EMPTY)
+			{
+				min_name = token;
+				str_tolower(min_name);
+			}
+			std::vector<double> v;
+			read_vector_doubles(&next_char, v);
+			rate_parameters_pk[min_name] = v;
+		}
+		break;
+		case OPTION_ERROR:
+			input_error++;
+			error_msg("Unknown input in KINETICS keyword.", CONTINUE);
+			error_msg(line_save, CONTINUE);
+			break;
+		}
+		if (return_value == EOF || return_value == KEYWORD)
+			break;
+	}
+	return (return_value);
+}
+/* ---------------------------------------------------------------------- */
+int Phreeqc::
+read_mean_gammas(void)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *      Reads MEAN_GAMMAS data
+	 *
+	 *      Arguments:
+	 *	 none
+	 *
+	 *      Returns:
+	 *	 KEYWORD if keyword encountered, input_error may be incremented if
+	 *		    a keyword is encountered in an unexpected position
+	 *	 EOF     if eof encountered while reading mass balance concentrations
+	 *	 ERROR   if error occurred reading data
+	 *
+	 */
+	std::string token;
+	int return_value, opt;
+	const char* next_char;
+	const char* opt_list[] = {
+		"xxxx",					/* 0 */
+	};
+	int count_opt_list = 0;
+	/*
+	 *   Read rate parameters
+	 */
+	return_value = UNKNOWN;
+	for (;;)
+	{
+		opt = get_option(opt_list, count_opt_list, &next_char);
+		switch (opt)
+		{
+		case OPTION_EOF:		/* end of file */
+			return_value = EOF;
+			break;
+		case OPTION_KEYWORD:	/* keyword */
+			return_value = KEYWORD;
+			break;
+		case OPTION_DEFAULT:	/* add to mean_gammas map */
+		{
+			std::string salt_name;
+			int j = copy_token(token, &next_char);
+			if (j != EMPTY)
+			{
+				salt_name = token;
+				str_tolower(salt_name);
+			}
+			cxxNameDouble nd;
+
+			/*
+			 *   Store reactant name, default coefficient
+			 */
+			const char* cptr = next_char;
+			bool have_name = false;
+			std::string name;
+			LDBLE coef = 1;
+			while (copy_token(token, &cptr) != EMPTY)
+			{
+				coef = 1;
+				if (isalpha((int)token[0]) || (token[0] == '(')
+					|| (token[0] == '['))
+				{
+					if (have_name)
+					{
+						nd.add(name.c_str(), coef);
+					}
+					name = token;
+					have_name = true;
+				}
+				else
+				{
+					if (!have_name)
+					{
+						error_string = sformatf("No species name has been defined.");
+						error_msg(error_string, CONTINUE);
+						input_error++;
+					}
+					/*
+					 *   Store relative coefficient
+					*/
+					int j = sscanf(token.c_str(), SCANFORMAT, &coef);
+
+					if (j == 1)
+					{
+						nd.add(name.c_str(), coef);
+						have_name = false;
+					}
+					else
+					{
+						error_msg("Reading relative coefficient of reactant.", CONTINUE);
+						error_msg(line_save, CONTINUE);
+						input_error++;
+					}
+				}
+				//if (have_name)
+				//{
+				//	nd.add(name.c_str(), coef);
+				//}
+			}
+			//read_vector_doubles(&next_char, v);
+			mean_gammas[salt_name] = nd;
+		}
+		break;
+		case OPTION_ERROR:
+			input_error++;
+			error_msg("Unknown input in MEAN_GAMMAS keyword.", CONTINUE);
+			error_msg(line_save, CONTINUE);
+			break;
+		}
+		if (return_value == EOF || return_value == KEYWORD)
+			break;
+	}
+	return (return_value);
+}
+/* ---------------------------------------------------------------------- */
+int Phreeqc::
+read_rate_parameters_svd(void)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *      Reads kinetics data
+	 *
+	 *      Arguments:
+	 *	 none
+	 *
+	 *      Returns:
+	 *	 KEYWORD if keyword encountered, input_error may be incremented if
+	 *		    a keyword is encountered in an unexpected position
+	 *	 EOF     if eof encountered while reading mass balance concentrations
+	 *	 ERROR   if error occurred reading data
+	 *
+	 */
+	std::string token;
+	int return_value, opt;
+	const char* next_char;
+	const char* opt_list[] = {
+		"xxxx",					/* 0 */
+	};
+	int count_opt_list = 0;
+	/*
+	 *   Read rate parameters
+	 */
+	return_value = UNKNOWN;
+	for (;;)
+	{
+		opt = get_option(opt_list, count_opt_list, &next_char);
+		switch (opt)
+		{
+		case OPTION_EOF:		/* end of file */
+			return_value = EOF;
+			break;
+		case OPTION_KEYWORD:	/* keyword */
+			return_value = KEYWORD;
+			break;
+		case OPTION_DEFAULT:	/* add to rate_parameters_svd map */
+		{
+			std::string min_name;
+			int j = copy_token(token, &next_char);
+			if (j != EMPTY)
+			{
+				min_name = token;
+				str_tolower(min_name);
+			}
+			std::vector<double> v;
+			read_vector_doubles(&next_char, v);
+			rate_parameters_svd[min_name] = v;
+		}
+		break;
+		case OPTION_ERROR:
+			input_error++;
+			error_msg("Unknown input in KINETICS keyword.", CONTINUE);
+			error_msg(line_save, CONTINUE);
+			break;
+		}
+		if (return_value == EOF || return_value == KEYWORD)
+			break;
+	}
+	return (return_value);
+}
+/* ---------------------------------------------------------------------- */
+int Phreeqc::
+read_rate_parameters_hermanska(void)
+/* ---------------------------------------------------------------------- */
+{
+	/*
+	 *      Reads kinetics data
+	 *
+	 *      Arguments:
+	 *	 none
+	 *
+	 *      Returns:
+	 *	 KEYWORD if keyword encountered, input_error may be incremented if
+	 *		    a keyword is encountered in an unexpected position
+	 *	 EOF     if eof encountered while reading mass balance concentrations
+	 *	 ERROR   if error occurred reading data
+	 *
+	 */
+	std::string token;
+	int return_value, opt;
+	const char* next_char;
+	const char* opt_list[] = {
+		"xxxx",					/* 0 */
+	};
+	int count_opt_list = 0;
+	/*
+	 *   Read rate parameters
+	 */
+	return_value = UNKNOWN;
+	for (;;)
+	{
+		opt = get_option(opt_list, count_opt_list, &next_char);
+		switch (opt)
+		{
+		case OPTION_EOF:		/* end of file */
+			return_value = EOF;
+			break;
+		case OPTION_KEYWORD:	/* keyword */
+			return_value = KEYWORD;
+			break;
+		case OPTION_DEFAULT:	/* add to rate_parameters_hermanska map */
+		{
+			std::string min_name;
+			int j = copy_token(token, &next_char);
+			if (j != EMPTY)
+			{
+				min_name = token;
+				str_tolower(min_name);
+			}
+			std::vector<double> v;
+			read_vector_doubles(&next_char, v);
+			rate_parameters_hermanska[min_name] = v;
+		}
+		break;
+		case OPTION_ERROR:
+			input_error++;
+			error_msg("Unknown input in KINETICS keyword.", CONTINUE);
+			error_msg(line_save, CONTINUE);
+			break;
+		}
+		if (return_value == EOF || return_value == KEYWORD)
+			break;
+	}
+	return (return_value);
+}
+/* ---------------------------------------------------------------------- */
 bool Phreeqc::
 read_vector_doubles(const char** cptr, std::vector<double>& v)
 /* ---------------------------------------------------------------------- */
@@ -4440,9 +4763,6 @@ read_selected_output(void)
 		temp_selected_output.Set_percent_error    ( so_ref.Get_percent_error() );
 		temp_selected_output.Set_have_punch_name  ( so_ref.Get_have_punch_name() );
 		temp_selected_output.Set_file_name        ( so_ref.Get_file_name() );
-#if PHREEQCI_GUI
-		assert(false);
-#endif
 	}
 	else if (n_user == 1 && so == SelectedOutput_map.end())
 	{
@@ -5499,9 +5819,17 @@ read_species(void)
 				input_error++;
 				break;
 			}
-			s_ptr->dw_t = 0;  s_ptr->dw_a = 0; s_ptr->dw_a2 = 0; s_ptr->dw_a_visc = 0;
-			i = sscanf(next_char, SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT, &s_ptr->dw, &s_ptr->dw_t,
-				&s_ptr->dw_a, &s_ptr->dw_a2, &s_ptr->dw_a_visc);
+			s_ptr->dw_t = 0;  s_ptr->dw_a = 0; s_ptr->dw_a2 = 0; s_ptr->dw_a3 = 0; s_ptr->dw_a_visc = 0; s_ptr->dw_a_v_dif = 0;
+			i = sscanf(next_char, SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT SCANFORMAT, 
+				&s_ptr->dw, &s_ptr->dw_t, &s_ptr->dw_a, &s_ptr->dw_a2, &s_ptr->dw_a_visc, &s_ptr->dw_a3, &s_ptr->dw_a_v_dif);
+			if (i < 1)
+			{
+				input_error++;
+				error_msg("Expecting numeric values for the diffusion coefficient, its temperature dependence, and coefficients for the SC calculation.",
+					CONTINUE);
+				return (ERROR);
+			}
+
 			s_ptr->dw_corr = s_ptr->dw;
 			opt_save = OPTION_DEFAULT;
 			break;
@@ -6414,7 +6742,7 @@ read_surface(void)
 							if (thickness != 0)
 							{
 								error_msg
-									("You must enter EITHER thickness OR Debye lengths (1/k),\n	   and relative DDL viscosity, DDL limit.\nCorrect is (for example): -donnan 1e-8 viscosity 0.5 limit 0.9 correct_GC true\n or (default values):     -donnan debye_lengths 1 viscosity 1 limit 0.8 correct_GC false",
+									("You must enter EITHER thickness OR Debye lengths (1/k),\n	   and relative DDL viscosity, DDL limit.\nCorrect is (for example): -donnan 1e-8 viscosity 0.5 limit 0.9 correct_D true\n or (default values):     -donnan debye_lengths 1 viscosity 1 limit 0.8 correct_D false",
 									CONTINUE);
 								error_msg(line_save, CONTINUE);
 								input_error++;
@@ -6442,12 +6770,12 @@ read_surface(void)
 							copy_token(token1, &next_char);
 							if (token1[0] == 'T' || token1[0] == 't' || token1[0] == 'F' || token1[0] == 'f')
 							{
-								temp_surface.Set_correct_GC(get_true_false(token1.c_str(), TRUE) == TRUE);
+								temp_surface.Set_correct_D(get_true_false(token1.c_str(), TRUE) == TRUE);
 								continue;
 							} else
 							{
 								error_msg
-									("Expected True or False for correct_GC (which brings co-ion concentrations closer to their integrated double layer value).",
+									("Expected True or False for correct_D (which brings co-ion concentrations closer to their integrated double layer value).",
 									CONTINUE);
 								error_msg(line_save, CONTINUE);
 								input_error++;
@@ -6460,9 +6788,19 @@ read_surface(void)
 							if (j == DIGIT)
 							{
 								(void)sscanf(token1.c_str(), SCANFORMAT, &dummy);
+								if(dummy == 0)
+								{
+									dummy = 1; temp_surface.Calc_DDL_viscosity(true);
+								}
 								temp_surface.Set_DDL_viscosity(dummy);
 								continue;
 							}
+							else if (token1[0] == 'C' || token1[0] == 'c' )
+							{
+								temp_surface.Calc_DDL_viscosity(true);
+								temp_surface.Set_DDL_viscosity(1.0);
+								continue;
+							}
 							else if (j != EMPTY)
 							{
 								error_msg
@@ -6601,10 +6939,10 @@ read_surface(void)
 					i1++;
 					continue;
 				}
-				else if (i != EMPTY || i1 > 8)
+				else if (i != EMPTY || i1 > 4)
 				{
 					error_msg
-					("Expected at most 8 numbers for the Donnan_factors for co- and counter-ions,\n 	z *= cgc[0] * (mu_x**(cgc[1] * nDbl**cgc[2] * (abs(surf_chrg_eq / A_surf / 1e-6)**cgc[3] * mu_x**(cgc[4])",
+					("Expected 4 numbers for the Donnan_factors of single and double-charged coounter- and co-ions,\n 	z1, z2, z_1, z_2",
 						CONTINUE);
 					error_msg(line_save, CONTINUE);
 					input_error++;
diff --git a/src/phreeqcpp/spread.cpp b/src/phreeqcpp/spread.cpp
index 1f442138..d2a385c3 100644
--- a/src/phreeqcpp/spread.cpp
+++ b/src/phreeqcpp/spread.cpp
@@ -162,8 +162,6 @@ read_solution_spread(void)
 				{
 				case 0:		/* temp */
 				case 1:		/* temperature */
-				case 2:		/* dens */
-				case 3:		/* density */
 				case 10:		/* water */
 					if ((count == 2 || count == 3) && num == TRUE)
 					{
@@ -174,6 +172,18 @@ read_solution_spread(void)
 						opt = OPTION_DEFAULT;
 					}
 					break;
+				case 2:		/* dens */
+				case 3:		/* density */
+					copy_token(token, &cptr);
+					if (count == 2 || count == 3 && (num == TRUE || token[0] == 'c' || token[0] == 'C'))
+					{
+						/* opt = opt; */
+					}
+					else
+					{
+						opt = OPTION_DEFAULT;
+					}
+					break;
 				case 6:		/* ph */
 				case 7:		/* pe */
 					if ((count == 2 || count == 3 || count == 4)
@@ -285,33 +295,35 @@ read_solution_spread(void)
 			break;
 		case 2:				/* density */
 		case 3:
-			//sscanf(next_char, SCANFORMAT, &(soln_defaults.density));
 			{
-				copy_token(token, &next_char);
-				if (sscanf(token.c_str(), SCANFORMAT, &dummy) != 1)
-				{
-						error_msg("Expecting numeric value for density.", PHRQ_io::OT_CONTINUE);
-						error_msg(line_save, PHRQ_io::OT_CONTINUE);
-						input_error++;
-				}
-				else
-				{
-					soln_defaults.density = dummy;
-				}
 				int j = copy_token(token, &next_char);
-				if (j != EMPTY)
+				if (j == DIGIT)
 				{
-					if (token[0] != 'c' && token[0] != 'C')
+					if (sscanf(token.c_str(), SCANFORMAT, &dummy) != 1)
 					{
-						error_msg("Only option following density is c[alculate].", PHRQ_io::OT_CONTINUE);
+						error_msg("Expecting numeric value for density.", PHRQ_io::OT_CONTINUE);
 						error_msg(line_save, PHRQ_io::OT_CONTINUE);
 						input_error++;
 					}
 					else
 					{
-						soln_defaults.calc_density = true;
+						soln_defaults.density = dummy;
+						copy_token(token, &next_char);
+						if (token[0] == 'c' || token[0] == 'C')
+							soln_defaults.calc_density = true;
 					}
 				}
+				else if (j != EMPTY)
+				{
+					if (token[0] != 'c' && token[0] != 'C')
+					{
+						error_msg("Options following density are numeric value or c[alculate].", PHRQ_io::OT_CONTINUE);
+						error_msg(line_save, PHRQ_io::OT_CONTINUE);
+						input_error++;
+					}
+					else
+						soln_defaults.calc_density = true;
+				}
 			}
 			break;
 		case 4:				/* units */
diff --git a/src/phreeqcpp/step.cpp b/src/phreeqcpp/step.cpp
index bd960b36..be02a1f4 100644
--- a/src/phreeqcpp/step.cpp
+++ b/src/phreeqcpp/step.cpp
@@ -327,6 +327,7 @@ xsolution_zero(void)
 	solution_pe_x = 0.0;
 	mu_x = 0.0;
 	ah2o_x = 0.0;
+	viscos = 0.0;
 	density_x = 0.0;
 	total_h_x = 0.0;
 	total_o_x = 0.0;
@@ -379,6 +380,7 @@ add_solution(cxxSolution *solution_ptr, LDBLE extensive, LDBLE intensive)
 	solution_pe_x += solution_ptr->Get_pe() * intensive;
 	mu_x += solution_ptr->Get_mu() * intensive;
 	ah2o_x += solution_ptr->Get_ah2o() * intensive;
+	viscos += solution_ptr->Get_viscosity() * intensive;
 	density_x += solution_ptr->Get_density() * intensive;
 
 	total_h_x += solution_ptr->Get_total_h() * extensive;
diff --git a/src/phreeqcpp/structures.cpp b/src/phreeqcpp/structures.cpp
index 1580f0ae..c6b83ec9 100644
--- a/src/phreeqcpp/structures.cpp
+++ b/src/phreeqcpp/structures.cpp
@@ -139,6 +139,7 @@ clean_up(void)
 	}
 	logk.clear();
 	save_values.clear();
+	save_strings.clear();
 	/* working pe*/
 	pe_x.clear();
 	/*species_list*/
@@ -1561,6 +1562,7 @@ s_init(class species *s_ptr)
 	s_ptr->dw_t = 0.0;
 	s_ptr->dw_a = 0.0;
 	s_ptr->dw_a2 = 0.0;
+	s_ptr->dw_a3 = 0.0;
 	s_ptr->erm_ddl = 1.0;
 	s_ptr->equiv = 0;
 	s_ptr->alk = 0.0;
diff --git a/src/phreeqcpp/tidy.cpp b/src/phreeqcpp/tidy.cpp
index 5769b4f5..35ddce08 100644
--- a/src/phreeqcpp/tidy.cpp
+++ b/src/phreeqcpp/tidy.cpp
@@ -5431,6 +5431,16 @@ tidy_isotope_ratios(void)
 		/*
 		 * Mark master species list as minor isotope
 		 */
+		if (isotope_ratio[i]->isotope_name == NULL)
+		{
+
+			input_error++;
+			error_string = sformatf(
+				"For ISOTOPE_RATIO, did not find ISOTOPE name for this isotope ratio %s",
+				isotope_ratio[i]->name);
+			error_msg(error_string, CONTINUE);
+			continue;
+		}
 		master_isotope_ptr =
 			master_isotope_search(isotope_ratio[i]->isotope_name);
 		if (master_isotope_ptr == NULL)
diff --git a/src/phreeqcpp/transport.cpp b/src/phreeqcpp/transport.cpp
index 0bd3d649..6e69e8df 100644
--- a/src/phreeqcpp/transport.cpp
+++ b/src/phreeqcpp/transport.cpp
@@ -52,6 +52,16 @@ struct MOLES_ADDED /* total moles added to balance negative conc's */
 } *moles_added;
 int count_moles_added;
 
+#if defined(_MSC_VER) && (_MSC_VER <= 1400) // VS2005
+#  define nullptr NULL
+#endif
+
+#if __cplusplus < 201103L // Check if C++ standard is pre-C++11
+#  ifndef nullptr
+#    define nullptr NULL
+#  endif
+#endif
+
 #if defined(PHREEQCI_GUI)
 #ifdef _DEBUG
 #define new DEBUG_NEW
@@ -115,6 +125,7 @@ transport(void)
 			sol_D[i].count_exch_spec = 0;
 			sol_D[i].exch_total = 0;
 			sol_D[i].x_max = 0;
+			sol_D[i].viscos_f0 = 1.0;
 			sol_D[i].viscos_f = 1.0;
 			sol_D[i].tk_x = 298.15;
 			sol_D[i].spec = NULL;
@@ -961,6 +972,7 @@ transport(void)
 		{
 			snprintf(token, sizeof(token),
 				"\nFor balancing negative concentrations in MCD, added in total to the system:");
+			count_warnings = pr.warnings - 1;
 			warning_msg(token);
 			for (i = 0; i < count_moles_added; i++)
 			{
@@ -969,6 +981,7 @@ transport(void)
 				snprintf(token, sizeof(token),
 					"\t %.4e moles %s.",
 					(double)moles_added[i].moles, moles_added[i].name);
+				count_warnings = pr.warnings - 1;
 				warning_msg(token);
 			}
 		}
@@ -1640,14 +1653,14 @@ init_heat_mix(int l_nmix)
 	{
 		if (implicit)
 		{
-			LDBLE viscos_f;
+			LDBLE viscos_f0;
 			l_heat_nmix = l_nmix;
 			for (i = 1; i <= count_cells + 1; i++)
 			{
 				heat_mix_array[i - 1] = heat_mix_array[i] / l_heat_nmix;	/* for implicit, m[i] has mixf with higher cell */
-				viscos_f = sol_D[i - 1].viscos_f * exp(heat_diffc / sol_D[i - 1].tk_x - heat_diffc / 298.15);
-				viscos_f += sol_D[i].viscos_f * exp(heat_diffc / sol_D[i].tk_x - heat_diffc / 298.15);
-				heat_mix_array[i - 1] *= (viscos_f / 2);
+				viscos_f0 = sol_D[i - 1].viscos_f0 * exp(heat_diffc / sol_D[i - 1].tk_x - heat_diffc / 298.15);
+				viscos_f0 += sol_D[i].viscos_f0 * exp(heat_diffc / sol_D[i].tk_x - heat_diffc / 298.15);
+				heat_mix_array[i - 1] *= (viscos_f0 / 2);
 			}
 		}
 		else
@@ -1821,7 +1834,7 @@ fill_spec(int l_cell_no, int ref_cell)
 	class master *master_ptr;
 	LDBLE dum, dum2;
 	LDBLE lm;
-	LDBLE por, por_il, viscos_f, viscos_il_f, viscos;
+	LDBLE por, por_il, viscos_f0, viscos_f, viscos_il_f0, viscos_il_f, viscos;
 	bool x_max_done = false;
 	std::set <std::string> loc_spec_names;
 
@@ -1860,13 +1873,14 @@ fill_spec(int l_cell_no, int ref_cell)
 		sol_D[l_cell_no].spec[i].z = 0.0;
 		sol_D[l_cell_no].spec[i].Dwt = 0.0;
 		sol_D[l_cell_no].spec[i].dw_t = 0.0;
+		sol_D[l_cell_no].spec[i].dw_a_v_dif = 0.0;
 		sol_D[l_cell_no].spec[i].erm_ddl = 0.0;
 		sol_D[l_cell_no].count_exch_spec = sol_D[l_cell_no].count_spec = 0;
 	}
 
 	sol_D[l_cell_no].tk_x = tk_x;
 
-	viscos_f = viscos_il_f = 1.0;
+	viscos_f0 = viscos_il_f0 = viscos_f = viscos_il_f = 1.0;
 	if (l_cell_no == 0)
 	{
 		por = cell_data[1].por;
@@ -1883,22 +1897,29 @@ fill_spec(int l_cell_no, int ref_cell)
 		por_il = cell_data[l_cell_no].por_il;
 	}
 	if (por < multi_Dpor_lim)
-		por = viscos_f = 0.0;
+		por = viscos_f0 = viscos_f = 0.0;
 
 	if (por_il < interlayer_Dpor_lim)
-		por_il = viscos_il_f = 0.0;
+		por_il = viscos_il_f0 = viscos_il_f = 0.0;
 	/*
 	* correct diffusion coefficient for temperature and viscosity, D_T = D_298 * viscos_298 / viscos
 	*   modify viscosity effect: Dw(TK) = Dw(298.15) * exp(dw_t / TK - dw_t / 298.15), SC data from Robinson and Stokes, 1959
 	*/
-	viscos = viscos_0;
+	if (print_viscosity)
+		viscos = Utilities::Rxn_find(Rxn_solution_map, l_cell_no)->Get_viscosity();
+	else
+		viscos = viscos_0;
 	/*
 	* put temperature factor in por_factor which corrects for porous medium...
 	*/
-	dum = viscos_0_25 / viscos;
-	viscos_f *= dum;
-	viscos_il_f *= dum;
-	sol_D[l_cell_no].viscos_f = dum;
+	dum = viscos_0_25 / viscos_0;
+	dum2 = viscos_0 / viscos;
+	viscos_f0 *= dum;
+	viscos_il_f0 *= dum;
+	sol_D[l_cell_no].viscos_f0 = dum;
+	viscos_f *= dum2;
+	viscos_il_f *= dum2;
+	sol_D[l_cell_no].viscos_f = dum2;
 
 	count_spec = count_exch_spec = 0;
 	/*
@@ -1999,6 +2020,10 @@ fill_spec(int l_cell_no, int ref_cell)
 					else
 						sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr2->dw * viscos_il_f;
 				}
+				if (s_ptr2->dw_a_v_dif)
+					sol_D[l_cell_no].spec[count_spec].dw_a_v_dif = s_ptr2->dw_a_v_dif;
+				else
+					sol_D[l_cell_no].spec[count_spec].dw_a_v_dif = 0.0;
 
 				//if (implicit) // && name_ret.second && (l_cell_no > 1 || (l_cell_no == 1 && bcon_first != 2)))
 				//{
@@ -2086,22 +2111,29 @@ fill_spec(int l_cell_no, int ref_cell)
 			sol_D[l_cell_no].spec[count_spec].lg = s_ptr->lg;
 			sol_D[l_cell_no].spec[count_spec].z = s_ptr->z;
 			if (s_ptr->dw == 0)
-				sol_D[l_cell_no].spec[count_spec].Dwt = default_Dw * viscos_f;
+				sol_D[l_cell_no].spec[count_spec].Dwt = default_Dw;
 			else
 			{
 				if (s_ptr->dw_t)
 				{
 					sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw *
-						exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15) * viscos_f;
+						exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15);
 					sol_D[l_cell_no].spec[count_spec].dw_t = s_ptr->dw_t;
 				}
 				else
-					sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw * viscos_f;
+					sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw;
 			}
+			if (s_ptr->dw_a_v_dif)
+			{
+				sol_D[l_cell_no].spec[count_spec].dw_a_v_dif = s_ptr->dw_a_v_dif;
+				sol_D[l_cell_no].spec[count_spec].Dwt *= pow(viscos_0 / viscos, s_ptr->dw_a_v_dif);
+			}
+			else
+				sol_D[l_cell_no].spec[count_spec].dw_a_v_dif = 0.0;
 			if (correct_Dw)
 			{
 				//calc_SC(); // removed that neutral species are corrected as if z = 1, but is viscosity-dependent
-				sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw_corr * viscos_f;
+				sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw_corr;
 			}
 			if (l_cell_no <= count_cells + 1 && sol_D[l_cell_no].spec[count_spec].Dwt * pow(por, multi_Dn) > diffc_max)
 				diffc_max = sol_D[l_cell_no].spec[count_spec].Dwt * pow(por, multi_Dn);
@@ -2221,7 +2253,8 @@ diffuse_implicit(LDBLE DDt, int stagnant)
 	// Transport of aqueous species is summarized into master species.
 	// With electro-migration, transport of anions and cations is calculated in opposite directions since (sign) J = - z * dV.
 	// Only available moles are transported, thus are > 0, but if concentrations oscillate, 
-	// change max_mixf in input file: -implicit true 1 # max_mixf = 1 (default).
+	// decrease max_mixf in input file: -implicit true 0.7 # max_mixf = 0.7 (default = 1).
+	//         or define time substeps: -time 0.5e6 year 20 # substeps = 20 (default = 1).
 	int i, icell, cp, comp;
 	// ifirst = (bcon_first == 2 ? 1 : 0); ilast = (bcon_last == 2 ? count_cells - 1 : count_cells);
 	int ifirst, ilast;
@@ -3725,37 +3758,74 @@ fill_m_s(class J_ij *l_J_ij, int l_J_ij_count_spec, int icell, int stagnant)
 /* ---------------------------------------------------------------------- */
 void Phreeqc::
 calc_b_ij(int icell, int jcell, int k, LDBLE b_i, LDBLE b_j, LDBLE g_i, LDBLE g_j, LDBLE free_i, LDBLE free_j, int stagnant)
-/* ---------------------------------------------------------------------- */ 
+/* ---------------------------------------------------------------------- */
+//{
+//	ct[icell].v_m[k].b_ij = b_i * (free_i + g_i) * b_j * (free_j + g_j) / (b_i * (free_i + g_i) + b_j * (free_j + g_j));
+//	// At filterends, concentrations of ions change step-wise to the DL. 
+//	// We take the harmonic mean for f_free, the average for the DL.
+//	if (ct[icell].v_m[k].z)
+//	{
+//		if (!g_i && g_j)
+//		{
+//			ct[icell].v_m[k].b_ij = free_j * b_i * b_j / (b_i + b_j) +
+//				b_i * (1 - free_j) / 4 + b_j * g_j / 4;
+//		}
+//		else if (g_i && !g_j)
+//			ct[icell].v_m[k].b_ij = free_i * b_i * b_j / (b_i + b_j) +
+//			b_j * (1 - free_i) / 4 + b_i * g_i / 4;
+//	}
+//	// for boundary cells...
+//	if (stagnant > 1)
+//	{ /* for a diffusion experiment with well-mixed reservoir in cell 3 and the last stagnant cell,
+//		   and with the mixf * 2 for the boundary cells in the input... */
+//		if (icell == 3 && !g_i && g_j)
+//			ct[icell].v_m[k].b_ij = b_j * (free_j + g_j) / 2;
+//		else if (jcell == all_cells - 1 && !g_j && g_i)
+//			ct[icell].v_m[k].b_ij = b_i * (free_i + g_i) / 2;
+//	}
+//	else
+//	{
+//		if (icell == 0 || (icell == count_cells + 1 && jcell == count_cells + count_cells + 1))
+//			ct[icell].v_m[k].b_ij = b_j * (free_j + g_j);
+//		else if (icell == count_cells && jcell == count_cells + 1)
+//			ct[icell].v_m[k].b_ij = b_i * (free_i + g_i);
+//	}
+//	if (ct[icell].v_m[k].z)
+//		ct[icell].Dz2c += ct[icell].v_m[k].b_ij * ct[icell].v_m[k].zc * ct[icell].v_m[k].z;
+//	return;
+//}
 {
-	ct[icell].v_m[k].b_ij = b_i * (free_i + g_i) * b_j * (free_j + g_j) / (b_i * (free_i + g_i) + b_j * (free_j + g_j));
-	// At filterends, concentrations of ions change step-wise to the DL. 
-	// We take the harmonic mean for f_free, the average for the DL.
-	if (ct[icell].v_m[k].z)
+	// Oct. 2023, with g_i,j = exp(g*z) * SS (charge_ptr-water / aq_x)
+	LDBLE fg_i = (1 - free_i) * g_i,
+		fg_j = (1 - free_j) * g_j;
+	ct[icell].v_m[k].b_ij = b_i * (free_i + fg_i) * b_j * (free_j + fg_j) / (b_i * (free_i + fg_i) + b_j * (free_j + fg_j));
+	// At filterends and boundary cells, concentrations of ions change step-wise to the DL. 
+	// filter cells, harmonic mean for f_free, the average for the DL.
+	if (icell != 0 && icell != count_cells && ct[icell].v_m[k].z)
 	{
 		if (!g_i && g_j)
-		{
-			ct[icell].v_m[k].b_ij = free_j * b_i * b_j / (b_i + b_j) +
-				b_i * (1 - free_j) / 4 + b_j * g_j / 4;
-		}
-		else if (g_i && !g_j)
+			ct[icell].v_m[k].b_ij = b_i * free_j * b_j / (b_i + b_j) +
+			(b_i * (1 - free_j) + b_j * fg_j) / 4;
+		if (g_i && !g_j)
 			ct[icell].v_m[k].b_ij = free_i * b_i * b_j / (b_i + b_j) +
-			b_j * (1 - free_i) / 4 + b_i * g_i / 4;
+			(b_j * (1 - free_i) + b_i * fg_i) / 4;
 	}
-	// for boundary cells...
+	// for boundary cells, all z...
 	if (stagnant > 1)
 	{ /* for a diffusion experiment with well-mixed reservoir in cell 3 and the last stagnant cell,
 		   and with the mixf * 2 for the boundary cells in the input... */
 		if (icell == 3 && !g_i && g_j)
-			ct[icell].v_m[k].b_ij = b_j * (free_j + g_j) / 2;
+			ct[icell].v_m[k].b_ij = b_j * (free_j + fg_j) / 2;
 		else if (jcell == all_cells - 1 && !g_j && g_i)
-			ct[icell].v_m[k].b_ij = b_i * (free_i + g_i) / 2;
+			ct[icell].v_m[k].b_ij = b_i * (free_i + fg_i) / 2;
 	}
+	// regular column...
 	else
 	{
 		if (icell == 0 || (icell == count_cells + 1 && jcell == count_cells + count_cells + 1))
-			ct[icell].v_m[k].b_ij = b_j * (free_j + g_j);
+			ct[icell].v_m[k].b_ij = b_j * (free_j + fg_j);
 		else if (icell == count_cells && jcell == count_cells + 1)
-			ct[icell].v_m[k].b_ij = b_i * (free_i + g_i);
+			ct[icell].v_m[k].b_ij = b_i * (free_i + fg_i);
 	}
 	if (ct[icell].v_m[k].z)
 		ct[icell].Dz2c += ct[icell].v_m[k].b_ij * ct[icell].v_m[k].zc * ct[icell].v_m[k].z;
@@ -3788,7 +3858,7 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 	b_i_ani = A1 / (G_i * h_i / 2) * Dw * {f_free + (1 - f_free) / Bm)}.
 	22/2/18: now calculates diffusion through EDL's of multiple, differently charged surfaces
 	*  stagnant TRUE:
-	*    same eqn for J_ij, but multplies with 2 * mixf. (times 2, because mixf = A / (G_i * h_i))
+	*    same eqn for J_ij, but multiplies with 2 * mixf. (times 2, because mixf = A / (G_i * h_i))
 	*    mixf_ij = mixf / (Dw / init_tort_f) / new_tort_f * new_por / init_por
 	*    mixf is defined in MIX; Dw is default multicomponent diffusion coefficient;
 	*    init_tort_f equals multi_Dpor^(-multi_Dn); new_pf = new tortuosity factor.
@@ -3879,13 +3949,20 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 	{
 		if (s_ptr1->Get_dl_type() != cxxSurface::NO_DL)
 		{
+			if (s_ptr1->Get_calc_viscosity())
+			{
+				viscosity(s_ptr1);
+				ct[icell].visc1 = s_ptr1->Get_DDL_viscosity();
+			}
+			else
+			ct[icell].visc1 = s_ptr1->Get_DDL_viscosity() * Utilities::Rxn_find(Rxn_solution_map, icell)->Get_viscosity();
+
 			s_charge_p.assign(s_ptr1->Get_surface_charges().begin(), s_ptr1->Get_surface_charges().end());
 			s_com_p.assign(s_ptr1->Get_surface_comps().begin(), s_ptr1->Get_surface_comps().end());
 
 			if (s_ptr1->Get_only_counter_ions())
 				only_counter = TRUE;
 
-			ct[icell].visc1 = s_ptr1->Get_DDL_viscosity();
 			/* find the immobile surface charges with DL... */
 			for (i = 0; i < (int)s_charge_p.size(); i++)
 			{
@@ -3906,14 +3983,20 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 	{
 		if (s_ptr2->Get_dl_type() != cxxSurface::NO_DL)
 		{
+			if (s_ptr2->Get_calc_viscosity())
+			{
+				viscosity(s_ptr2);
+				ct[icell].visc2 = s_ptr2->Get_DDL_viscosity();
+			}
+			else
+				ct[icell].visc2 = s_ptr2->Get_DDL_viscosity() * Utilities::Rxn_find(Rxn_solution_map, jcell)->Get_viscosity();
+
 			s_charge_p.assign(s_ptr2->Get_surface_charges().begin(), s_ptr2->Get_surface_charges().end());
 			s_com_p.assign(s_ptr2->Get_surface_comps().begin(), s_ptr2->Get_surface_comps().end());
 
 			if (s_ptr2->Get_only_counter_ions())
 				only_counter = TRUE;
 
-			ct[icell].visc2 = s_ptr2->Get_DDL_viscosity();
-
 			for (i = 0; i < (int)s_charge_p.size(); i++)
 			{
 				for (i1 = 0; i1 < (int)s_com_p.size(); i1++)
@@ -3928,6 +4011,7 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 			}
 		}
 	}
+	viscosity(nullptr);
 	if (!stagnant)
 	{
 		if (icell == 0)
@@ -4227,7 +4311,11 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 						{
 							g_i += it_sc->Get_z_gMCD_map()[ct[icell].v_m[k].z];
 						}
-						g_i *= sol_D[icell].spec[i].erm_ddl;
+						dum = ct[icell].visc1;
+						if (sol_D[icell].spec[i].dw_a_v_dif)
+							dum = pow(dum, sol_D[icell].spec[i].dw_a_v_dif);
+						g_i *= sol_D[icell].spec[i].erm_ddl / dum;
+						//g_i *= sol_D[icell].spec[i].erm_ddl / ct[icell].visc1;
 					}
 					if (dl_aq2)
 					{
@@ -4250,7 +4338,11 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 								}
 							}
 						}
-						g_j *= sol_D[icell].spec[i].erm_ddl;
+						dum = ct[icell].visc2;
+						if (sol_D[icell].spec[i].dw_a_v_dif)
+							dum = pow(dum, sol_D[icell].spec[i].dw_a_v_dif);
+						g_j *= sol_D[icell].spec[i].erm_ddl / dum;
+						//g_j *= sol_D[icell].spec[i].erm_ddl / ct[icell].visc2;
 					}
 				}
 
@@ -4260,11 +4352,13 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 					b_j *= sol_D[icell].spec[i].Dwt;
 				else
 				{
-					dum2 = sol_D[icell].spec[i].Dwt / sol_D[icell].viscos_f;
+					dum2 = sol_D[icell].spec[i].Dwt / sol_D[icell].viscos_f0;
 					dum2 *= exp(sol_D[icell].spec[i].dw_t / sol_D[jcell].tk_x - sol_D[icell].spec[i].dw_t / sol_D[icell].tk_x);
-					dum2 *= sol_D[jcell].viscos_f;
+					dum2 *= sol_D[jcell].viscos_f0;
 					b_j *= dum2;
 				}
+				if (sol_D[icell].spec[i].dw_a_v_dif)
+					b_j *= pow(sol_D[jcell].viscos_f / sol_D[icell].viscos_f, sol_D[icell].spec[i].dw_a_v_dif);
 				calc_b_ij(icell, jcell, k, b_i, b_j, g_i, g_j, f_free_i, f_free_j, stagnant);
 
 				k++;
@@ -4343,7 +4437,11 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 								}
 							}
 						}
-						g_i *= sol_D[jcell].spec[j].erm_ddl;
+						dum = ct[icell].visc1;
+						if (sol_D[jcell].spec[j].dw_a_v_dif)
+							dum = pow(dum, sol_D[icell].spec[j].dw_a_v_dif);
+						g_i *= sol_D[jcell].spec[j].erm_ddl / dum;
+						//g_i *= sol_D[jcell].spec[j].erm_ddl / ct[icell].visc1;
 					}
 					if (dl_aq2)
 					{
@@ -4351,7 +4449,12 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 						{
 							g_j += it_sc->Get_z_gMCD_map()[ct[icell].v_m[k].z];
 						}
-						g_j *= sol_D[jcell].spec[j].erm_ddl;
+
+						dum = ct[icell].visc2;
+						if (sol_D[jcell].spec[j].dw_a_v_dif)
+							dum = pow(dum, sol_D[jcell].spec[j].dw_a_v_dif);
+						g_j *= sol_D[jcell].spec[j].erm_ddl / dum;
+						//g_j *= sol_D[jcell].spec[j].erm_ddl / ct[icell].visc2;
 					}
 				}
 				b_i = A1;
@@ -4360,11 +4463,14 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 					b_i *= sol_D[jcell].spec[j].Dwt;
 				else
 				{
-					dum2 = sol_D[jcell].spec[j].Dwt / sol_D[jcell].viscos_f;
+					dum2 = sol_D[jcell].spec[j].Dwt / sol_D[jcell].viscos_f0;
 					dum2 *= exp(sol_D[jcell].spec[j].dw_t / sol_D[icell].tk_x - sol_D[jcell].spec[j].dw_t / sol_D[jcell].tk_x);
-					dum2 *= sol_D[icell].viscos_f;
+					dum2 *= sol_D[icell].viscos_f0;
 					b_i *= dum2;
 				}
+				if (sol_D[icell].spec[i].dw_a_v_dif)
+					b_i *= pow(sol_D[icell].viscos_f / sol_D[jcell].viscos_f, sol_D[icell].spec[i].dw_a_v_dif);
+
 				calc_b_ij(icell, jcell, k, b_i, b_j, g_i, g_j, f_free_i, f_free_j, stagnant);
 
 				k++;
@@ -4437,7 +4543,11 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 						{
 							g_i += it_sc->Get_z_gMCD_map()[ct[icell].v_m[k].z];
 						}
-						g_i *= sol_D[icell].spec[i].erm_ddl;
+						dum = ct[icell].visc1;
+						if (sol_D[icell].spec[i].dw_a_v_dif)
+							dum = pow(dum, sol_D[icell].spec[i].dw_a_v_dif);
+						g_i *= sol_D[icell].spec[i].erm_ddl / dum;
+						//g_i *= sol_D[icell].spec[i].erm_ddl / ct[icell].visc1;
 					}
 					if (dl_aq2)
 					{
@@ -4445,7 +4555,11 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant)
 						{
 							g_j += it_sc->Get_z_gMCD_map()[ct[icell].v_m[k].z];
 						}
-						g_j *= sol_D[jcell].spec[j].erm_ddl;
+						dum = ct[icell].visc2;
+						if (sol_D[jcell].spec[j].dw_a_v_dif)
+							dum = pow(dum, sol_D[jcell].spec[j].dw_a_v_dif);
+						g_j *= sol_D[jcell].spec[j].erm_ddl / dum;
+						//g_j *= sol_D[jcell].spec[j].erm_ddl / ct[icell].visc2;
 					}
 				}
 				b_i = A1 * sol_D[icell].spec[i].Dwt;
@@ -4829,12 +4943,11 @@ Step (from cell 1 to count_cells + 1):
 	LDBLE lav, A_ij, por, Dp1, Dp2;
 	cxxMix * mix_ptr;
 	cxxSurface *surface_ptr1, *surface_ptr2;
-	LDBLE viscos_f;
+	LDBLE viscos_f0;
 	/*
 	* temperature and viscosity correction for MCD coefficient, D_T = D_298 * viscos_298 / viscos
 	*/
-	viscos_f = viscos_0;
-	viscos_f = viscos_0_25 / viscos_f;
+	viscos_f0 = viscos_0_25 / viscos_0;
 
 	//n1 = 0;
 	//n2 = n1 + 1;
@@ -5044,7 +5157,7 @@ Step (from cell 1 to count_cells + 1):
 							Dp2 = (Dp2 + Dp1) / 2;
 
 						/* and the mixing factor... */
-						mcd_mixf = Dp2 * viscos_f * A_ij * DDt / lav;
+						mcd_mixf = Dp2 * viscos_f0 * A_ij * DDt / lav;
 					}
 					mixf = mixf_store + mcd_mixf;
 
@@ -5120,7 +5233,7 @@ Step (from cell 1 to count_cells + 1):
 							Dp1 = (Dp1 + Dp2) / 2;
 
 						/* and the mixing factor... */
-						mcd_mixf = Dp1 * viscos_f * A_ij * DDt / lav;
+						mcd_mixf = Dp1 * viscos_f0 * A_ij * DDt / lav;
 					}
 					mixf = mixf_store + mcd_mixf;
 
@@ -5500,12 +5613,11 @@ diff_stag_surf(int mobile_cell)
 	LDBLE Dp1, Dp2;
 	cxxMix *mix_ptr;
 	cxxSurface *surface_ptr1, *surface_ptr2;
-	LDBLE viscos_f;
+	LDBLE viscos_f0;
 	/*
 	* temperature and viscosity correction for MCD coefficient, D_T = D_298 * Tk * viscos_298 / (298 * viscos)
 	*/
-	viscos_f = viscos_0;
-	viscos_f = viscos_0_25 / viscos_f;
+	viscos_f0 = viscos_0_25 / viscos_0;
 
 	cxxSurface surface_n1, surface_n2;
 	cxxSurface *surface_n1_ptr = &surface_n1;
@@ -5653,7 +5765,7 @@ diff_stag_surf(int mobile_cell)
 					if (multi_Dflag)
 					{
 						Dp2 = comp_k_ptr->Get_Dw() *
-							pow(cell_data[i2].por, multi_Dn) * viscos_f;
+							pow(cell_data[i2].por, multi_Dn) * viscos_f0;
 						Dp1 = 0;
 						if (surf1)
 						{
@@ -5663,7 +5775,7 @@ diff_stag_surf(int mobile_cell)
 								if (strcmp(comp_k1_ptr->Get_formula().c_str(),
 									comp_k_ptr->Get_formula().c_str()) != 0)
 									continue;
-								Dp1 = comp_k1_ptr->Get_Dw() * pow(cell_data[i1].por, multi_Dn) * viscos_f;
+								Dp1 = comp_k1_ptr->Get_Dw() * pow(cell_data[i1].por, multi_Dn) * viscos_f0;
 								break;
 							}
 						}
@@ -5712,7 +5824,7 @@ diff_stag_surf(int mobile_cell)
 					/* find diffusion coefficients of surfaces... */
 					if (multi_Dflag)
 					{
-						Dp1 = comp_k_ptr->Get_Dw() * pow(cell_data[i1].por, multi_Dn) * viscos_f;
+						Dp1 = comp_k_ptr->Get_Dw() * pow(cell_data[i1].por, multi_Dn) * viscos_f0;
 
 						Dp2 = 0;
 						if (surf2)
@@ -5723,7 +5835,7 @@ diff_stag_surf(int mobile_cell)
 								if (strcmp(comp_k1_ptr->Get_formula().c_str(),
 									comp_k_ptr->Get_formula().c_str()) != 0)
 									continue;
-								Dp2 = comp_k1_ptr->Get_Dw() * pow(cell_data[i2].por, multi_Dn) * viscos_f;
+								Dp2 = comp_k1_ptr->Get_Dw() * pow(cell_data[i2].por, multi_Dn) * viscos_f0;
 								break;
 							}
 						}
@@ -5881,9 +5993,15 @@ LDBLE new_Dw, int l_cell)
 
 /* ---------------------------------------------------------------------- */
 LDBLE Phreeqc::
-viscosity(void)
+viscosity(cxxSurface *surf_ptr)
 /* ---------------------------------------------------------------------- */
 {
+	if (surf_ptr && !surf_ptr->Get_calc_viscosity())
+	{
+		for (int i = 0; i < (int)surf_ptr->Get_surface_charges().size(); i++)
+			surf_ptr->Get_surface_charges()[i].Set_DDL_viscosity(surf_ptr->Get_DDL_viscosity());
+		return surf_ptr->Get_DDL_viscosity();
+	}
 
 	/* from Atkins, 1994. Physical Chemistry, 5th ed. */
 	//viscos =
@@ -5892,7 +6010,7 @@ viscosity(void)
 	//		  0.000836 * (tc_x - 20) * (tc_x - 20)) / (109 + tc_x));
 	/* Huber et al., 2009, J. Phys. Chem. Ref. Data, Vol. 38, 101-125 */
 	LDBLE H[4] = { 1.67752, 2.20462, 0.6366564, -0.241605 };
-	LDBLE Tb = tk_x / 647.096, denom = H[0], mu0;
+	LDBLE Tb = (tc_x + 273.15) / 647.096, denom = H[0], mu0;
 	int i, j, i1;
 	for (i = 1; i < 4; i++)
 		denom += H[i] / pow(Tb, i);
@@ -5964,124 +6082,220 @@ viscosity(void)
 	both weighted by the equivalent concentration.
 	*/
 	LDBLE D1, D2, z1, z2, m_plus, m_min, eq_plus, eq_min, eq_dw_plus, eq_dw_min, t1, t2, t3, fan = 1;
-	LDBLE A, psi, Bc = 0, Dc = 0, Dw = 0.0, l_z, f_z, lm, V_an, m_an, V_Cl, tc;
+	LDBLE A, psi, Bc = 0, Dc = 0, Dw = 0.0, l_z, f_z, lm, V_an, m_an, V_Cl, tc, l_moles, l_water, l_mu_x, dw_t_visc;
 
 	m_plus = m_min = eq_plus = eq_min = eq_dw_plus = eq_dw_min = V_an = m_an = V_Cl = 0;
 
 	tc = (tc_x > 200) ? 200 : tc_x;
-
-	for (i = 0; i < (int)this->s_x.size(); i++)
+	l_water = mass_water_aq_x;
+	l_mu_x = mu_x;
+	
+	
+	int i1_last;
+	if (surf_ptr == NULL)
+		i1_last = 1;
+	else
 	{
-		if (s_x[i]->type != AQ && s_x[i]->type > HPLUS)
-			continue;
-		if ((lm = s_x[i]->lm) < -9)
-			continue;
-		if (s_x[i]->Jones_Dole[0] || s_x[i]->Jones_Dole[1] || s_x[i]->Jones_Dole[3])
+		i1_last = (int)surf_ptr->Get_surface_charges().size();
+		if (i1_last > 1)
+			i1_last += 1;
+	}
+	std::map <LDBLE, LDBLE> z_g_map;
+	cxxSurfaceCharge s_charge_p;
+	LDBLE ratio_surf_aq = mass_water_surfaces_x / mass_water_aq_x;
+	for (i1 = 0; i1 < i1_last; i1++)
+	{
+		Bc = Dc = Dw = m_plus = m_min = eq_plus = eq_min = eq_dw_plus = eq_dw_min = V_an = m_an = 0;
+		if (surf_ptr)
 		{
-			s_x[i]->dw_t_visc = 0;
-			t1 = s_x[i]->moles / mass_water_aq_x;
-			l_z = fabs(s_x[i]->z);
-			if (l_z)
-				f_z = (l_z * l_z + l_z) / 2;
-			else
-				f_z = mu_x / t1;
-			//if data at tc's other than 25 are scarce, put the values found for 25 C in [7] and [8], optimize [1], [2], and [4]...
-			if (s_x[i]->Jones_Dole[7] || s_x[i]->Jones_Dole[8])
+			z_g_map.clear();
+			if (i1_last == 1 || i1 < i1_last - 1)
 			{
-				s_x[i]->Jones_Dole[0] = s_x[i]->Jones_Dole[7] -
-					s_x[i]->Jones_Dole[1] * exp(-s_x[i]->Jones_Dole[2] * 25.0);
-				s_x[i]->Jones_Dole[3] =
-					s_x[i]->Jones_Dole[8] / exp(-s_x[i]->Jones_Dole[4] * 25.0);
+				s_charge_p = surf_ptr->Get_surface_charges()[i1];
+				l_water = s_charge_p.Get_mass_water();
+				z_g_map.insert(s_charge_p.Get_z_gMCD_map().begin(), s_charge_p.Get_z_gMCD_map().end());
+				for (std::map<double, double>::iterator x = z_g_map.begin(); x != z_g_map.end(); ++x)
+					x->second *= ratio_surf_aq;
 			}
-			// find B * m and D * m * mu^d3
-			s_x[i]->dw_t_visc = (s_x[i]->Jones_Dole[0] +
-				s_x[i]->Jones_Dole[1] * exp(-s_x[i]->Jones_Dole[2] * tc)) * t1;
-			Bc += s_x[i]->dw_t_visc;
-			// define f_I from the exponent of the D * m^d3 term...
-			if (s_x[i]->Jones_Dole[5] >= 1)
-				t2 = mu_x / 3 / s_x[i]->Jones_Dole[5];
-			else if (s_x[i]->Jones_Dole[5] > 0.4)
-				t2 = -0.8 / s_x[i]->Jones_Dole[5];
 			else
-				t2 = -1;
-			t3 = (s_x[i]->Jones_Dole[3] * exp(-s_x[i]->Jones_Dole[4] * tc)) *
-				t1 * (pow(mu_x, s_x[i]->Jones_Dole[5])*(1 + t2) + pow(t1 * f_z, s_x[i]->Jones_Dole[5])) / (2 + t2);
-			s_x[i]->dw_t_visc += t3;
-			Dc += t3;
-			//output_msg(sformatf("\t%s\t%e\t%e\t%e\n", s_x[i]->name, t1, Bc, Dc ));
+			{
+				s_charge_p = surf_ptr->Get_surface_charges()[0];
+				z_g_map.insert(s_charge_p.Get_z_gMCD_map().begin(), s_charge_p.Get_z_gMCD_map().end());
+				for (i = 1; i < i1_last - 1; i++)
+				{
+					s_charge_p = surf_ptr->Get_surface_charges()[i];
+					for (std::map<double, double>::iterator x = z_g_map.begin(); x != z_g_map.end(); ++x)
+						x->second += s_charge_p.Get_z_gMCD_map()[x->first];
+				}
+				for (std::map<double, double>::iterator x = z_g_map.begin(); x != z_g_map.end(); ++x)
+					x->second *= ratio_surf_aq;
+				l_water = mass_water_surfaces_x;
+			}
+			l_mu_x = eq_plus = eq_min = 0;
+			for (i = 0; i < (int)this->s_x.size(); i++)
+			{
+				if (s_x[i]->type != AQ && s_x[i]->type > HPLUS)
+					continue;
+				if (s_x[i]->lm < -9 || s_x[i] == 0)
+					continue;
+				l_moles = s_x[i]->moles * s_x[i]->z * z_g_map.find(s_x[i]->z)->second;
+				if (s_x[i]->z < 0)
+					eq_min += l_moles;
+				else
+					eq_plus += l_moles;
+				l_mu_x += l_moles * s_x[i]->z;
+			}
+			l_mu_x += fabs(eq_plus + eq_min); // add surface charge
+			l_mu_x /= (2 * l_water);
+			eq_plus = eq_min = 0;
 		}
-		// parms for A...
-		if ((l_z = s_x[i]->z) == 0)
-			continue;
-		Dw = s_x[i]->dw;
-		if (Dw)
+
+		for (i = 0; i < (int)this->s_x.size(); i++)
 		{
+			if (s_x[i]->type != AQ && s_x[i]->type > HPLUS)
+				continue;
+			if ((lm = s_x[i]->lm) < -9)
+				continue;
+			l_moles = s_x[i]->moles;
+			if (surf_ptr != NULL)
+			{
+				l_moles *= z_g_map.find(s_x[i]->z)->second;
+			}
+			if (s_x[i]->Jones_Dole[0] || s_x[i]->Jones_Dole[1] || s_x[i]->Jones_Dole[3])
+			{
+				dw_t_visc = 0;
+				t1 = l_moles / l_water;
+				if (t1 < 1e-9)
+					continue;
+				l_z = fabs(s_x[i]->z);
+				if (l_z)
+					f_z = (l_z * l_z + l_z) / 2;
+				else
+					f_z = l_mu_x / t1;
+				//if data at tc's other than 25 are scarce, put the values found for 25 C in [7] and [8], optimize [1], [2], and [4]...
+				if (s_x[i]->Jones_Dole[7] || s_x[i]->Jones_Dole[8])
+				{
+					s_x[i]->Jones_Dole[0] = s_x[i]->Jones_Dole[7] -
+						s_x[i]->Jones_Dole[1] * exp(-s_x[i]->Jones_Dole[2] * 25.0);
+					s_x[i]->Jones_Dole[3] =
+						s_x[i]->Jones_Dole[8] / exp(-s_x[i]->Jones_Dole[4] * 25.0);
+				}
+				// find B * m and D * m * mu^d3
+				dw_t_visc = (s_x[i]->Jones_Dole[0] +
+					s_x[i]->Jones_Dole[1] * exp(-s_x[i]->Jones_Dole[2] * tc)) * t1;
+				Bc += dw_t_visc;
+				// define f_I from the exponent of the D * m^d3 term...
+				if (s_x[i]->Jones_Dole[5] >= 1)
+					t2 = l_mu_x / 3 / s_x[i]->Jones_Dole[5];
+				else if (s_x[i]->Jones_Dole[5] > 0.4)
+					t2 = -0.8 / s_x[i]->Jones_Dole[5];
+				else
+					t2 = -1;
+				t3 = (s_x[i]->Jones_Dole[3] * exp(-s_x[i]->Jones_Dole[4] * tc)) *
+					t1 * (pow(l_mu_x, s_x[i]->Jones_Dole[5])*(1 + t2) + pow(t1 * f_z, s_x[i]->Jones_Dole[5])) / (2 + t2);
+				if (t3 < -1e-5)
+					t3 = 0;
+				Dc += t3;
+				if (!surf_ptr) s_x[i]->dw_t_visc = dw_t_visc + t3;
+				//output_msg(sformatf("\t%s\t%e\t%e\t%e\n", s_x[i]->name, t1, Bc, Dc ));
+			}
+			// parms for A and V_an. 7/26/24: added V_an calculation for gases z = 0
+			if ((l_z = s_x[i]->z) == 0)
+			{
+				if (s_x[i]->Jones_Dole[6])
+				{
+					V_an += s_x[i]->logk[vm_tc] * s_x[i]->Jones_Dole[6] * l_moles;
+					m_an += l_moles;
+				}
+				continue;
+			}
+			if ((Dw = s_x[i]->dw) == 0)
+				continue;
 			Dw *= (0.89 / viscos_0 * tk_x / 298.15);
 			if (s_x[i]->dw_t)
 				Dw *= exp(s_x[i]->dw_t / tk_x - s_x[i]->dw_t / 298.15);
-		}
-		if (l_z < 0)
-		{
-			if (!strcmp(s_x[i]->name, "Cl-"))
-				// volumina for f_an...
-			{
-				V_Cl = s_x[i]->logk[vm_tc];
-				V_an += V_Cl * s_x[i]->moles;
-				m_an += s_x[i]->moles;
-			}
-			else// if (s_x[i]->Jones_Dole[6])
-			{
-				V_an += s_x[i]->logk[vm_tc] * s_x[i]->Jones_Dole[6] * s_x[i]->moles;
-				m_an += s_x[i]->moles;
-			}
-			if (Dw)
+			if (l_z < 0)
 			{
+				if (!strcmp(s_x[i]->name, "Cl-"))
+					// volumina for f_an...
+				{
+					V_Cl = s_x[i]->logk[vm_tc];
+					V_an += V_Cl * l_moles;
+					m_an += l_moles;
+				}
+				else if (s_x[i]->Jones_Dole[6])
+				{
+					V_an += s_x[i]->logk[vm_tc] * s_x[i]->Jones_Dole[6] * l_moles;
+					m_an += l_moles;
+				}
 				// anions for A...
-				m_min += s_x[i]->moles;
-				t1 = s_x[i]->moles * l_z;
+				m_min += l_moles;
+				t1 = l_moles * l_z;
 				eq_min -= t1;
 				eq_dw_min -= t1 / Dw;
 			}
+			else
+			{
+				// cations for A...
+				m_plus += l_moles;
+				t1 = l_moles * l_z;
+				eq_plus += t1;
+				eq_dw_plus += t1 / Dw;
+			}
 		}
-		else if (Dw)
+		if (m_plus && m_min && eq_dw_plus && eq_dw_min)
 		{
-			// cations for A...
-			m_plus += s_x[i]->moles;
-			t1 = s_x[i]->moles * l_z;
-			eq_plus += t1;
-			eq_dw_plus += t1 / Dw;
-		}
-	}
-	if (m_plus && m_min && eq_dw_plus && eq_dw_min)
-	{
-		z1 = eq_plus / m_plus;     z2 = eq_min / m_min;
-		D1 = eq_plus / eq_dw_plus; D2 = eq_min / eq_dw_min;
+			z1 = eq_plus / m_plus;     z2 = eq_min / m_min;
+			D1 = eq_plus / eq_dw_plus; D2 = eq_min / eq_dw_min;
 
-		t1 = (D1 - D2) / (sqrt(D1 * z1 + D2 * z2) + sqrt((D1 + D2) * (z1 + z2)));
-		psi = (D1 * z2 + D2 * z1) / 4.0 - z1 * z2 * t1 * t1;
-		// Here A is A * viscos_0, avoids multiplication later on...
-		A = 4.3787e-14 * pow(tk_x, 1.5) / (sqrt(eps_r * (z1 + z2) / ((z1 > z2) ? z1 : z2)) * (D1 * D2)) * psi;
-	}
-	else
-		A = 0;
-	viscos = viscos_0 + A * sqrt((eq_plus + eq_min) / 2 / mass_water_aq_x);
-	if (m_an)
-		V_an /= m_an;
-	if (!V_Cl)
-		V_Cl = calc_vm_Cl();
-	if (V_an)
-		fan = 2 - V_an / V_Cl;
-	//else
-	//	fan = 1;
-	viscos += viscos_0 * fan * (Bc + Dc);
-	if (viscos < 0)
-	{
-		viscos = viscos_0;
-		warning_msg("viscosity < 0, reset to viscosity of pure water");
-	}
-	for (i = 0; i < (int)this->s_x.size(); i++)
-	{
-		s_x[i]->dw_t_visc /= (Bc + Dc);
+			t1 = (D1 - D2) / (sqrt(D1 * z1 + D2 * z2) + sqrt((D1 + D2) * (z1 + z2)));
+			psi = (D1 * z2 + D2 * z1) / 4.0 - z1 * z2 * t1 * t1;
+			// Here A is A * viscos_0, avoids multiplication later on...
+			A = 4.3787e-14 * pow(tk_x, 1.5) / (sqrt(eps_r * (z1 + z2) / ((z1 > z2) ? z1 : z2)) * (D1 * D2)) * psi;
+		}
+		else
+			A = 0;
+		viscos = viscos_0 + A * sqrt((eq_plus + eq_min) / 2 / l_water);
+		if (m_an)
+			V_an /= m_an;
+		if (!V_Cl)
+			V_Cl = calc_vm_Cl();
+		if (V_an && V_Cl)
+			fan = 2 - V_an / V_Cl;
+		else
+			fan = 1;
+		if (Dc < 0) 
+			Dc = 0; // provisional...
+		viscos += viscos_0 * fan * (Bc + Dc);
+		if (viscos < 0)
+		{
+			viscos = viscos_0;
+			warning_msg("viscosity < 0, reset to viscosity of pure water");
+		}
+		if (!surf_ptr)
+		{
+			for (i = 0; i < (int)this->s_x.size(); i++)
+			{
+				if (s_x[i]->type != AQ && s_x[i]->type > HPLUS)
+					continue;
+				if ((lm = s_x[i]->lm) < -9)
+					continue;
+				if (s_x[i]->Jones_Dole[0] || s_x[i]->Jones_Dole[1] || s_x[i]->Jones_Dole[3])
+					s_x[i]->dw_t_visc /= (Bc + Dc);
+			}
+		}
+		else //if (surf_ptr->Get_calc_viscosity())
+		{
+			if (i1_last == 1)
+			{
+				surf_ptr->Get_surface_charges()[i1].Set_DDL_viscosity(viscos);
+				surf_ptr->Set_DDL_viscosity(viscos);
+			}
+			else if (i1 < i1_last - 1)
+				surf_ptr->Get_surface_charges()[i1].Set_DDL_viscosity(viscos);
+			else if (i1 == i1_last - 1)
+				surf_ptr->Set_DDL_viscosity(viscos);
+		}
 	}
 	return viscos;
 }
diff --git a/src/phreeqcpp/utilities.cpp b/src/phreeqcpp/utilities.cpp
index 79dfae7f..b2ff4839 100644
--- a/src/phreeqcpp/utilities.cpp
+++ b/src/phreeqcpp/utilities.cpp
@@ -41,6 +41,10 @@ calc_alk(CReaction& rxn_ref)
 			break;
 		}
 		return_value += r_token->coef * master_ptr->alk;
+		//if (strcmp(r_token->name, "e-") == 0 && strcmp(rxn_ref.token[0].name,"e-") != 0)
+		//{
+		//	std::cerr << rxn_ref.token[0].name << "   Non-master species has e- in reaction.\n";
+		//}
 		r_token++;
 	}
 	return (return_value);
diff --git a/unit/TestIPhreeqc.cpp b/unit/TestIPhreeqc.cpp
index e316cfdb..b0321a4f 100644
--- a/unit/TestIPhreeqc.cpp
+++ b/unit/TestIPhreeqc.cpp
@@ -1846,7 +1846,7 @@ void TestIPhreeqc::TestGetDumpStringLineCount(void)
 	obj.SetDumpStringOn(true);
 	CPPUNIT_ASSERT_EQUAL( true,      obj.GetDumpStringOn() );
 	CPPUNIT_ASSERT_EQUAL( 0,         obj.RunAccumulated() );
-	CPPUNIT_ASSERT_EQUAL( 33,        obj.GetDumpStringLineCount() );
+	CPPUNIT_ASSERT_EQUAL( 34,        obj.GetDumpStringLineCount() );
 }
 
 void TestIPhreeqc::TestGetDumpStringLine(void)
@@ -1872,7 +1872,7 @@ void TestIPhreeqc::TestGetDumpStringLine(void)
 	obj.SetDumpStringOn(true);
 	CPPUNIT_ASSERT_EQUAL( true,      obj.GetDumpStringOn() );
 	CPPUNIT_ASSERT_EQUAL( 0,         obj.RunAccumulated() );
-	CPPUNIT_ASSERT_EQUAL( 33,        obj.GetDumpStringLineCount() );
+	CPPUNIT_ASSERT_EQUAL( 34,        obj.GetDumpStringLineCount() );
 
 	int line = 0;
 
@@ -1884,6 +1884,7 @@ void TestIPhreeqc::TestGetDumpStringLine(void)
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-total_o")                      != NULL);
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-cb")                           != NULL);
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-density")                      != NULL);
+	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-viscosity")                    != NULL);
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-totals")                       != NULL);
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " C(4) ")                        != NULL);
 	CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " Ca ")                          != NULL);
@@ -2051,6 +2052,7 @@ void TestIPhreeqc::TestSetDumpFileName(void)
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-total_o")                      != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-cb")                           != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-density")                      != NULL);
+	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-viscosity")                    != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-totals")                       != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " C(4) ")                        != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Ca ")                          != NULL);
@@ -2161,7 +2163,7 @@ void TestIPhreeqc::TestSetOutputFileName(void)
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                       Mass of water (kg)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                 Total alkalinity (eq/kg)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                       Total CO2 (mol/kg)  =  ")                                   != NULL );
-	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                         Temperature (°C)  =  ")                                   != NULL );
+	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                         Temperature (°C)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                  Electrical balance (eq)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                               Iterations  =  ")                                   != NULL );
@@ -2171,7 +2173,7 @@ void TestIPhreeqc::TestSetOutputFileName(void)
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------------------Distribution of species----------------------------")  != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "")                                                                                 != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                                               Log       Log       Log    mole V") != NULL );
-	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   Species          Molality    Activity  Molality  Activity     Gamma    cm³/mol") != NULL);
+	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   Species          Molality    Activity  Molality  Activity     Gamma    cm�/mol") != NULL);
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "")                                                                                 != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   OH- ")                                                                          != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   H+ ")                                                                           != NULL );
@@ -3975,12 +3977,12 @@ void TestIPhreeqc::TestMultiPunchCSelectedOutput(void)
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(6, 0, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -7.60411,  var.dVal, ::pow(10., -2) );
 
 	// si_Calcite
-	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.692077,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.678847,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(3, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.678847,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.702316,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.695856,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(3, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.689518,  var.dVal, ::pow(10., -2) );
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(4, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -999.999,  var.dVal, ::pow(10., -2) );
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(5, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -999.999,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(6, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.672429,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(6, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.683300,  var.dVal, ::pow(10., -2) );
 
 	// DUMMY_1
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, 2, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
@@ -4004,7 +4006,7 @@ void TestIPhreeqc::TestMultiPunchCSelectedOutput(void)
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(3, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(4, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(5, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
-	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(6, 4, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 3.69E-13,  var.dVal, ::pow(10., log10(3.69E-13)-2) );
+	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(6, 4, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.12e-13,  var.dVal, ::pow(10., log10(4.12e-13)-2) );
 
 	// Sum_Delta/U
 	CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, 5, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
diff --git a/unit/TestIPhreeqcLib.cpp b/unit/TestIPhreeqcLib.cpp
index 9f7c442f..9648b406 100644
--- a/unit/TestIPhreeqcLib.cpp
+++ b/unit/TestIPhreeqcLib.cpp
@@ -1814,7 +1814,7 @@ void TestIPhreeqcLib::TestGetDumpStringLineCount(void)
 	CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpFileOn(n, 0) );
 	CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 1) );
 	CPPUNIT_ASSERT_EQUAL( 0,      ::RunAccumulated(n) );
-	CPPUNIT_ASSERT_EQUAL( 33,     ::GetDumpStringLineCount(n) );
+	CPPUNIT_ASSERT_EQUAL( 34,     ::GetDumpStringLineCount(n) );
 
 	if (n >= 0)
 	{
@@ -1843,7 +1843,7 @@ void TestIPhreeqcLib::TestGetDumpStringLine(void)
 	CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpFileOn(n, 0) );
 	CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 1) );
 	CPPUNIT_ASSERT_EQUAL( 0,      ::RunAccumulated(n) );
-	CPPUNIT_ASSERT_EQUAL( 33,     ::GetDumpStringLineCount(n) );
+	CPPUNIT_ASSERT_EQUAL( 34,     ::GetDumpStringLineCount(n) );
 
 	int line = 0;
 
@@ -1855,6 +1855,7 @@ void TestIPhreeqcLib::TestGetDumpStringLine(void)
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), "-total_o")                      != NULL);
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), "-cb")                           != NULL);
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), "-density")                      != NULL);
+	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), "-viscosity")                    != NULL);
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), "-totals")                       != NULL);
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), " C(4) ")                        != NULL);
 	CPPUNIT_ASSERT(::strstr(::GetDumpStringLine(n, line++), " Ca ")                          != NULL);
@@ -2329,7 +2330,7 @@ void TestIPhreeqcLib::TestSetDumpFileName(void)
 
 	CPPUNIT_ASSERT_EQUAL( true,   ::FileExists(DUMP_FILENAME) );
 
-	std::string lines[33];
+	std::string lines[44];
 	std::ifstream ifs(DUMP_FILENAME);
 
 	size_t i = 0;
@@ -2347,6 +2348,7 @@ void TestIPhreeqcLib::TestSetDumpFileName(void)
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-total_o")                      != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-cb")                           != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-density")                      != NULL);
+	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-viscosity")                    != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-totals")                       != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " C(4) ")                        != NULL);
 	CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Ca ")                          != NULL);
@@ -2466,7 +2468,7 @@ void TestIPhreeqcLib::TestSetOutputFileName(void)
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                       Mass of water (kg)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                 Total alkalinity (eq/kg)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                       Total CO2 (mol/kg)  =  ")                                   != NULL );
-	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                         Temperature (°C)  =  ")                                   != NULL);
+	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                         Temperature (°C)  =  ")                                   != NULL);
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                  Electrical balance (eq)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  ")                                   != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                               Iterations  =  ")                                   != NULL );
@@ -2476,7 +2478,7 @@ void TestIPhreeqcLib::TestSetOutputFileName(void)
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------------------Distribution of species----------------------------")  != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "")                                                                                 != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "                                               Log       Log       Log    mole V") != NULL );
-	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   Species          Molality    Activity  Molality  Activity     Gamma    cm³/mol")!= NULL);
+	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol") != NULL);
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "")                                                                                 != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   OH- ")                                                                          != NULL );
 	CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "   H+ ")                                                                           != NULL );
@@ -4150,12 +4152,12 @@ void TestIPhreeqcLib::TestMultiPunchCSelectedOutput(void)
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 6, 0, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -7.60411,  var.dVal, ::pow(10., -2) );
 
 	// si_Calcite
-	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 1, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.692077,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 2, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.678847,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 3, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.678847,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 1, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.702316,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 2, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.695856,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 3, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.689518,  var.dVal, ::pow(10., -2) );
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 4, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -999.999,  var.dVal, ::pow(10., -2) );
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 5, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( -999.999,  var.dVal, ::pow(10., -2) );
-	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 6, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.672429,  var.dVal, ::pow(10., -2) );
+	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 6, 1, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.683300,  var.dVal, ::pow(10., -2) );
 
 	// DUMMY_1
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 1, 2, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
@@ -4179,7 +4181,7 @@ void TestIPhreeqcLib::TestMultiPunchCSelectedOutput(void)
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 3, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 4, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 5, 4, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);
-	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 6, 4, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 3.69E-13,  var.dVal, ::pow(10., log10(3.69E-13)-2) );
+	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 6, 4, &var));   CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.12e-13,  var.dVal, ::pow(10., log10(4.12e-13)-2) );
 
 	// Sum_Delta/U
 	CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(id, 1, 5, &var));   CPPUNIT_ASSERT_EQUAL(TT_EMPTY,  var.type);